USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=29 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 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 87 GLN : amide:sc= 1.11 K(o=2.3,f=-2.3) USER MOD Set 2.2: A 89 TYR OH : rot 101:sc= 1.2 USER MOD Set 3.1: A 40 CYS SG : rot 180:sc= -0.762 USER MOD Set 3.2: A 59 TYR OH : rot -46:sc= -0.0905 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= 0.0233 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 31:sc= 0.314 USER MOD Single : A 10 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-3.3) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -5.02! C(o=-5!,f=-11!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0523 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -4.26! C(o=-4.3!,f=-14!) USER MOD Single : A 35 CYS SG : rot 180:sc= -3.63! USER MOD Single : A 36 MET CE :methyl -128:sc= -1.24 (180deg=-4.87!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 147:sc= -0.763 (180deg=-3.71!) USER MOD Single : A 43 TYR OH : rot 53:sc= -0.393 USER MOD Single : A 46 HIS : no HD1:sc= -0.887 K(o=-0.89,f=-0.14) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -145:sc= -0.426 (180deg=-2.03!) USER MOD Single : A 51 ASN : amide:sc= -0.567 X(o=-0.57,f=-0.26) USER MOD Single : A 53 ASN : amide:sc= -0.435 X(o=-0.44,f=-0.067) USER MOD Single : A 54 SER OG : rot -160:sc= -1.19 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 X(o=0,f=-0.17) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0732 USER MOD Single : A 76 CYS SG : rot -3:sc= -9.3! USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 177:sc= -1.29 USER MOD Single : A 84 GLN : amide:sc= -0.176 K(o=-0.18,f=-0.96) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.404! USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.234 K(o=-0.23,f=-1) USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= 0.629 (180deg=0.194!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0147 X(o=-0.015,f=-0.085) USER MOD Single : A 107 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.024) USER MOD Single : A 108 GLN : amide:sc= -1.29 K(o=-1.3,f=-4.4!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.262 6.870 22.941 1.00 0.00 N ATOM 2 CA GLY A 1 15.144 6.201 22.000 1.00 0.00 C ATOM 3 C GLY A 1 15.691 4.900 22.590 1.00 0.00 C ATOM 4 O GLY A 1 16.647 4.919 23.364 1.00 0.00 O ATOM 0 H1 GLY A 1 13.905 7.750 22.517 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.462 6.246 23.171 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.787 7.094 23.810 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.603 5.987 21.078 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.971 6.862 21.738 1.00 0.00 H new ATOM 8 N SER A 2 15.062 3.800 22.203 1.00 0.00 N ATOM 9 CA SER A 2 15.474 2.493 22.684 1.00 0.00 C ATOM 10 C SER A 2 16.425 1.841 21.679 1.00 0.00 C ATOM 11 O SER A 2 17.560 1.507 22.018 1.00 0.00 O ATOM 12 CB SER A 2 14.264 1.590 22.932 1.00 0.00 C ATOM 13 OG SER A 2 14.553 0.555 23.868 1.00 0.00 O ATOM 0 H SER A 2 14.269 3.787 21.561 1.00 0.00 H new ATOM 0 HA SER A 2 15.994 2.627 23.633 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.433 2.191 23.301 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.943 1.147 21.989 1.00 0.00 H new ATOM 0 HG SER A 2 13.755 0.002 24.000 1.00 0.00 H new ATOM 19 N GLU A 3 15.928 1.679 20.461 1.00 0.00 N ATOM 20 CA GLU A 3 16.719 1.073 19.404 1.00 0.00 C ATOM 21 C GLU A 3 16.653 1.926 18.136 1.00 0.00 C ATOM 22 O GLU A 3 15.634 2.557 17.861 1.00 0.00 O ATOM 23 CB GLU A 3 16.259 -0.359 19.127 1.00 0.00 C ATOM 24 CG GLU A 3 17.323 -1.371 19.557 1.00 0.00 C ATOM 25 CD GLU A 3 16.913 -2.794 19.173 1.00 0.00 C ATOM 26 OE1 GLU A 3 16.747 -3.028 17.957 1.00 0.00 O ATOM 27 OE2 GLU A 3 16.776 -3.616 20.105 1.00 0.00 O ATOM 0 H GLU A 3 14.987 1.957 20.183 1.00 0.00 H new ATOM 0 HA GLU A 3 17.757 1.028 19.734 1.00 0.00 H new ATOM 0 HB2 GLU A 3 15.329 -0.555 19.660 1.00 0.00 H new ATOM 0 HB3 GLU A 3 16.048 -0.478 18.064 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.275 -1.124 19.088 1.00 0.00 H new ATOM 0 HG3 GLU A 3 17.473 -1.310 20.635 1.00 0.00 H new ATOM 34 N GLY A 4 17.752 1.917 17.397 1.00 0.00 N ATOM 35 CA GLY A 4 17.832 2.682 16.164 1.00 0.00 C ATOM 36 C GLY A 4 17.830 4.185 16.450 1.00 0.00 C ATOM 37 O GLY A 4 17.862 4.600 17.608 1.00 0.00 O ATOM 0 H GLY A 4 18.595 1.392 17.628 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.739 2.412 15.623 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.990 2.430 15.520 1.00 0.00 H new ATOM 41 N ALA A 5 17.793 4.960 15.376 1.00 0.00 N ATOM 42 CA ALA A 5 17.787 6.408 15.498 1.00 0.00 C ATOM 43 C ALA A 5 16.408 6.943 15.105 1.00 0.00 C ATOM 44 O ALA A 5 16.276 7.663 14.116 1.00 0.00 O ATOM 45 CB ALA A 5 18.907 6.997 14.638 1.00 0.00 C ATOM 0 H ALA A 5 17.767 4.613 14.417 1.00 0.00 H new ATOM 0 HA ALA A 5 17.975 6.707 16.529 1.00 0.00 H new ATOM 0 HB1 ALA A 5 18.903 8.083 14.729 1.00 0.00 H new ATOM 0 HB2 ALA A 5 19.868 6.608 14.976 1.00 0.00 H new ATOM 0 HB3 ALA A 5 18.749 6.720 13.596 1.00 0.00 H new ATOM 51 N ALA A 6 15.416 6.570 15.900 1.00 0.00 N ATOM 52 CA ALA A 6 14.052 7.003 15.648 1.00 0.00 C ATOM 53 C ALA A 6 13.641 6.584 14.235 1.00 0.00 C ATOM 54 O ALA A 6 14.479 6.153 13.443 1.00 0.00 O ATOM 55 CB ALA A 6 13.949 8.515 15.860 1.00 0.00 C ATOM 0 H ALA A 6 15.530 5.973 16.719 1.00 0.00 H new ATOM 0 HA ALA A 6 13.363 6.528 16.347 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.926 8.840 15.671 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.223 8.758 16.887 1.00 0.00 H new ATOM 0 HB3 ALA A 6 14.625 9.025 15.174 1.00 0.00 H new ATOM 61 N THR A 7 12.353 6.724 13.961 1.00 0.00 N ATOM 62 CA THR A 7 11.821 6.365 12.658 1.00 0.00 C ATOM 63 C THR A 7 11.399 7.620 11.890 1.00 0.00 C ATOM 64 O THR A 7 11.468 8.728 12.419 1.00 0.00 O ATOM 65 CB THR A 7 10.678 5.370 12.871 1.00 0.00 C ATOM 66 OG1 THR A 7 9.842 6.004 13.836 1.00 0.00 O ATOM 67 CG2 THR A 7 11.141 4.087 13.563 1.00 0.00 C ATOM 0 H THR A 7 11.661 7.082 14.620 1.00 0.00 H new ATOM 0 HA THR A 7 12.579 5.883 12.041 1.00 0.00 H new ATOM 0 HB THR A 7 10.228 5.121 11.910 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.074 5.428 14.032 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.292 3.415 13.690 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.902 3.599 12.954 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.560 4.331 14.539 1.00 0.00 H new ATOM 75 N MET A 8 10.972 7.403 10.655 1.00 0.00 N ATOM 76 CA MET A 8 10.539 8.502 9.809 1.00 0.00 C ATOM 77 C MET A 8 9.181 8.201 9.170 1.00 0.00 C ATOM 78 O MET A 8 8.709 7.066 9.213 1.00 0.00 O ATOM 79 CB MET A 8 11.578 8.741 8.711 1.00 0.00 C ATOM 80 CG MET A 8 11.758 7.492 7.845 1.00 0.00 C ATOM 81 SD MET A 8 12.304 7.957 6.210 1.00 0.00 S ATOM 82 CE MET A 8 14.028 7.509 6.320 1.00 0.00 C ATOM 0 H MET A 8 10.917 6.482 10.220 1.00 0.00 H new ATOM 0 HA MET A 8 10.439 9.394 10.428 1.00 0.00 H new ATOM 0 HB2 MET A 8 11.267 9.579 8.087 1.00 0.00 H new ATOM 0 HB3 MET A 8 12.532 9.016 9.161 1.00 0.00 H new ATOM 0 HG2 MET A 8 12.486 6.823 8.304 1.00 0.00 H new ATOM 0 HG3 MET A 8 10.818 6.945 7.781 1.00 0.00 H new ATOM 0 HE1 MET A 8 14.524 7.735 5.376 1.00 0.00 H new ATOM 0 HE2 MET A 8 14.501 8.075 7.122 1.00 0.00 H new ATOM 0 HE3 MET A 8 14.114 6.443 6.529 1.00 0.00 H new ATOM 92 N SER A 9 8.592 9.237 8.593 1.00 0.00 N ATOM 93 CA SER A 9 7.298 9.098 7.946 1.00 0.00 C ATOM 94 C SER A 9 7.428 9.385 6.449 1.00 0.00 C ATOM 95 O SER A 9 7.824 10.481 6.056 1.00 0.00 O ATOM 96 CB SER A 9 6.263 10.031 8.578 1.00 0.00 C ATOM 97 OG SER A 9 6.631 11.402 8.449 1.00 0.00 O ATOM 0 H SER A 9 8.987 10.177 8.560 1.00 0.00 H new ATOM 0 HA SER A 9 6.955 8.073 8.084 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.294 9.870 8.106 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.149 9.784 9.633 1.00 0.00 H new ATOM 0 HG SER A 9 7.141 11.527 7.621 1.00 0.00 H new ATOM 103 N HIS A 10 7.085 8.382 5.654 1.00 0.00 N ATOM 104 CA HIS A 10 7.158 8.513 4.209 1.00 0.00 C ATOM 105 C HIS A 10 5.748 8.465 3.618 1.00 0.00 C ATOM 106 O HIS A 10 5.203 9.493 3.219 1.00 0.00 O ATOM 107 CB HIS A 10 8.088 7.454 3.614 1.00 0.00 C ATOM 108 CG HIS A 10 9.182 8.018 2.739 1.00 0.00 C ATOM 109 ND1 HIS A 10 9.396 7.594 1.439 1.00 0.00 N ATOM 110 CD2 HIS A 10 10.119 8.977 2.990 1.00 0.00 C ATOM 111 CE1 HIS A 10 10.418 8.273 0.941 1.00 0.00 C ATOM 112 NE2 HIS A 10 10.865 9.129 1.904 1.00 0.00 N ATOM 0 H HIS A 10 6.756 7.475 5.984 1.00 0.00 H new ATOM 0 HA HIS A 10 7.590 9.479 3.949 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.543 6.887 4.426 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.494 6.752 3.029 1.00 0.00 H new ATOM 0 HD2 HIS A 10 10.234 9.520 3.916 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.826 8.167 -0.053 1.00 0.00 H new ATOM 0 HE2 HIS A 10 11.645 9.779 1.805 1.00 0.00 H new ATOM 120 N THR A 11 5.198 7.261 3.580 1.00 0.00 N ATOM 121 CA THR A 11 3.862 7.065 3.044 1.00 0.00 C ATOM 122 C THR A 11 2.817 7.192 4.155 1.00 0.00 C ATOM 123 O THR A 11 2.965 6.597 5.221 1.00 0.00 O ATOM 124 CB THR A 11 3.831 5.710 2.333 1.00 0.00 C ATOM 125 OG1 THR A 11 4.616 5.915 1.162 1.00 0.00 O ATOM 126 CG2 THR A 11 2.442 5.363 1.795 1.00 0.00 C ATOM 0 H THR A 11 5.653 6.411 3.912 1.00 0.00 H new ATOM 0 HA THR A 11 3.612 7.836 2.316 1.00 0.00 H new ATOM 0 HB THR A 11 4.158 4.931 3.022 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.651 5.085 0.642 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.476 4.392 1.300 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.731 5.325 2.620 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.128 6.124 1.081 1.00 0.00 H new ATOM 134 N ILE A 12 1.785 7.972 3.866 1.00 0.00 N ATOM 135 CA ILE A 12 0.717 8.185 4.828 1.00 0.00 C ATOM 136 C ILE A 12 -0.513 7.381 4.403 1.00 0.00 C ATOM 137 O ILE A 12 -0.950 7.468 3.256 1.00 0.00 O ATOM 138 CB ILE A 12 0.444 9.680 5.003 1.00 0.00 C ATOM 139 CG1 ILE A 12 1.702 10.416 5.469 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.739 9.915 5.944 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.601 11.914 5.177 1.00 0.00 C ATOM 0 H ILE A 12 1.666 8.464 2.980 1.00 0.00 H new ATOM 0 HA ILE A 12 1.012 7.821 5.812 1.00 0.00 H new ATOM 0 HB ILE A 12 0.170 10.093 4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.844 10.259 6.538 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.577 10.002 4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.912 10.986 6.051 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.631 9.443 5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.518 9.484 6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.508 12.413 5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.483 12.068 4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.740 12.329 5.700 1.00 0.00 H new ATOM 153 N LEU A 13 -1.038 6.617 5.350 1.00 0.00 N ATOM 154 CA LEU A 13 -2.209 5.798 5.087 1.00 0.00 C ATOM 155 C LEU A 13 -3.329 6.195 6.051 1.00 0.00 C ATOM 156 O LEU A 13 -3.132 6.208 7.265 1.00 0.00 O ATOM 157 CB LEU A 13 -1.848 4.312 5.143 1.00 0.00 C ATOM 158 CG LEU A 13 -2.908 3.344 4.615 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.917 2.987 5.709 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.591 3.906 3.367 1.00 0.00 C ATOM 0 H LEU A 13 -0.674 6.548 6.300 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.578 5.974 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.930 4.160 4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.629 4.050 6.178 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.411 2.420 4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.660 2.298 5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.398 2.516 6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.413 3.893 6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.340 3.198 3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.073 4.853 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.847 4.068 2.587 1.00 0.00 H new ATOM 172 N LEU A 14 -4.480 6.508 5.474 1.00 0.00 N ATOM 173 CA LEU A 14 -5.631 6.904 6.266 1.00 0.00 C ATOM 174 C LEU A 14 -6.827 6.024 5.896 1.00 0.00 C ATOM 175 O LEU A 14 -6.716 5.148 5.040 1.00 0.00 O ATOM 176 CB LEU A 14 -5.899 8.402 6.110 1.00 0.00 C ATOM 177 CG LEU A 14 -5.114 9.113 5.006 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.612 9.085 5.295 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.445 8.524 3.633 1.00 0.00 C ATOM 0 H LEU A 14 -4.640 6.495 4.467 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.435 6.747 7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.963 8.543 5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.677 8.891 7.059 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.418 10.160 4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.078 9.597 4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.414 9.587 6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.272 8.051 5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.874 9.047 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.187 7.465 3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.510 8.640 3.435 1.00 0.00 H new ATOM 191 N VAL A 15 -7.943 6.287 6.560 1.00 0.00 N ATOM 192 CA VAL A 15 -9.158 5.530 6.311 1.00 0.00 C ATOM 193 C VAL A 15 -10.372 6.404 6.629 1.00 0.00 C ATOM 194 O VAL A 15 -10.531 6.867 7.758 1.00 0.00 O ATOM 195 CB VAL A 15 -9.134 4.226 7.111 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.545 3.823 7.544 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.464 3.105 6.314 1.00 0.00 C ATOM 0 H VAL A 15 -8.031 7.014 7.270 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.226 5.250 5.260 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.543 4.396 8.011 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.500 2.893 8.111 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.972 4.608 8.168 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.169 3.680 6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.460 2.190 6.906 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.015 2.937 5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.438 3.389 6.079 1.00 0.00 H new ATOM 207 N GLN A 16 -11.199 6.604 5.613 1.00 0.00 N ATOM 208 CA GLN A 16 -12.395 7.415 5.770 1.00 0.00 C ATOM 209 C GLN A 16 -13.640 6.598 5.418 1.00 0.00 C ATOM 210 O GLN A 16 -14.012 6.500 4.249 1.00 0.00 O ATOM 211 CB GLN A 16 -12.313 8.684 4.919 1.00 0.00 C ATOM 212 CG GLN A 16 -13.648 9.430 4.916 1.00 0.00 C ATOM 213 CD GLN A 16 -13.870 10.163 6.241 1.00 0.00 C ATOM 214 OE1 GLN A 16 -13.570 11.337 6.388 1.00 0.00 O ATOM 215 NE2 GLN A 16 -14.410 9.409 7.193 1.00 0.00 N ATOM 0 H GLN A 16 -11.065 6.219 4.678 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.468 7.721 6.813 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.529 9.335 5.306 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.036 8.424 3.898 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.667 10.145 4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.462 8.725 4.745 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.637 8.433 7.003 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.597 9.806 8.113 1.00 0.00 H new ATOM 224 N PRO A 17 -14.266 6.018 6.477 1.00 0.00 N ATOM 225 CA PRO A 17 -15.461 5.213 6.291 1.00 0.00 C ATOM 226 C PRO A 17 -16.679 6.097 6.010 1.00 0.00 C ATOM 227 O PRO A 17 -17.480 5.794 5.127 1.00 0.00 O ATOM 228 CB PRO A 17 -15.595 4.406 7.572 1.00 0.00 C ATOM 229 CG PRO A 17 -14.744 5.123 8.607 1.00 0.00 C ATOM 230 CD PRO A 17 -13.854 6.113 7.874 1.00 0.00 C ATOM 0 HA PRO A 17 -15.394 4.553 5.426 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.636 4.351 7.892 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.252 3.382 7.426 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.376 5.640 9.329 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.140 4.408 9.166 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.987 7.124 8.258 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.800 5.862 7.994 1.00 0.00 H new ATOM 238 N THR A 18 -16.780 7.171 6.779 1.00 0.00 N ATOM 239 CA THR A 18 -17.886 8.100 6.624 1.00 0.00 C ATOM 240 C THR A 18 -17.363 9.524 6.425 1.00 0.00 C ATOM 241 O THR A 18 -16.381 9.735 5.714 1.00 0.00 O ATOM 242 CB THR A 18 -18.800 7.954 7.842 1.00 0.00 C ATOM 243 OG1 THR A 18 -17.981 8.345 8.940 1.00 0.00 O ATOM 244 CG2 THR A 18 -19.149 6.494 8.140 1.00 0.00 C ATOM 0 H THR A 18 -16.114 7.418 7.511 1.00 0.00 H new ATOM 0 HA THR A 18 -18.470 7.874 5.732 1.00 0.00 H new ATOM 0 HB THR A 18 -19.716 8.521 7.678 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.496 8.282 9.771 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.799 6.446 9.013 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.662 6.060 7.282 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.235 5.934 8.337 1.00 0.00 H new ATOM 252 N LYS A 19 -18.041 10.465 7.065 1.00 0.00 N ATOM 253 CA LYS A 19 -17.657 11.863 6.967 1.00 0.00 C ATOM 254 C LYS A 19 -17.253 12.375 8.351 1.00 0.00 C ATOM 255 O LYS A 19 -16.317 13.162 8.477 1.00 0.00 O ATOM 256 CB LYS A 19 -18.772 12.680 6.310 1.00 0.00 C ATOM 257 CG LYS A 19 -18.396 14.161 6.239 1.00 0.00 C ATOM 258 CD LYS A 19 -17.308 14.401 5.191 1.00 0.00 C ATOM 259 CE LYS A 19 -17.838 14.138 3.780 1.00 0.00 C ATOM 260 NZ LYS A 19 -17.062 14.908 2.783 1.00 0.00 N ATOM 0 H LYS A 19 -18.855 10.287 7.654 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.787 11.975 6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -18.963 12.301 5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -19.696 12.562 6.876 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.278 14.752 5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.047 14.498 7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.949 15.428 5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.456 13.751 5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.776 13.073 3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.891 14.415 3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.435 14.718 1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.142 15.924 2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.062 14.624 2.826 1.00 0.00 H new ATOM 274 N ARG A 20 -17.980 11.906 9.355 1.00 0.00 N ATOM 275 CA ARG A 20 -17.709 12.306 10.726 1.00 0.00 C ATOM 276 C ARG A 20 -16.213 12.190 11.027 1.00 0.00 C ATOM 277 O ARG A 20 -15.528 11.336 10.467 1.00 0.00 O ATOM 278 CB ARG A 20 -18.490 11.441 11.717 1.00 0.00 C ATOM 279 CG ARG A 20 -19.998 11.636 11.545 1.00 0.00 C ATOM 280 CD ARG A 20 -20.434 13.013 12.050 1.00 0.00 C ATOM 281 NE ARG A 20 -21.625 12.880 12.918 1.00 0.00 N ATOM 282 CZ ARG A 20 -22.120 13.871 13.672 1.00 0.00 C ATOM 283 NH1 ARG A 20 -21.529 15.074 13.669 1.00 0.00 N ATOM 284 NH2 ARG A 20 -23.205 13.659 14.429 1.00 0.00 N ATOM 0 H ARG A 20 -18.756 11.253 9.247 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.026 13.343 10.838 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.236 10.392 11.568 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.200 11.697 12.736 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.264 11.529 10.493 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.533 10.859 12.090 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -19.620 13.481 12.604 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -20.660 13.664 11.206 1.00 0.00 H new ATOM 0 HE ARG A 20 -22.099 11.977 12.944 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.703 15.235 13.093 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -21.905 15.829 14.243 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.654 12.743 14.431 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.582 14.413 15.003 1.00 0.00 H new ATOM 298 N PRO A 21 -15.739 13.085 11.934 1.00 0.00 N ATOM 299 CA PRO A 21 -14.337 13.092 12.316 1.00 0.00 C ATOM 300 C PRO A 21 -14.018 11.923 13.251 1.00 0.00 C ATOM 301 O PRO A 21 -12.852 11.607 13.479 1.00 0.00 O ATOM 302 CB PRO A 21 -14.112 14.448 12.963 1.00 0.00 C ATOM 303 CG PRO A 21 -15.491 14.965 13.339 1.00 0.00 C ATOM 304 CD PRO A 21 -16.521 14.111 12.617 1.00 0.00 C ATOM 0 HA PRO A 21 -13.669 12.956 11.466 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.475 14.360 13.843 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.613 15.131 12.275 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.638 14.910 14.418 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.597 16.012 13.055 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.229 13.668 13.317 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -17.101 14.704 11.909 1.00 0.00 H new ATOM 312 N GLU A 22 -15.076 11.313 13.765 1.00 0.00 N ATOM 313 CA GLU A 22 -14.923 10.186 14.670 1.00 0.00 C ATOM 314 C GLU A 22 -14.580 8.918 13.885 1.00 0.00 C ATOM 315 O GLU A 22 -15.468 8.258 13.348 1.00 0.00 O ATOM 316 CB GLU A 22 -16.184 9.985 15.513 1.00 0.00 C ATOM 317 CG GLU A 22 -15.953 10.427 16.959 1.00 0.00 C ATOM 318 CD GLU A 22 -16.347 9.321 17.940 1.00 0.00 C ATOM 319 OE1 GLU A 22 -16.247 8.142 17.536 1.00 0.00 O ATOM 320 OE2 GLU A 22 -16.741 9.679 19.071 1.00 0.00 O ATOM 0 H GLU A 22 -16.042 11.578 13.572 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.100 10.401 15.352 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.008 10.554 15.082 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.476 8.935 15.492 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.904 10.687 17.100 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.534 11.325 17.166 1.00 0.00 H new ATOM 327 N GLY A 23 -13.291 8.617 13.844 1.00 0.00 N ATOM 328 CA GLY A 23 -12.820 7.440 13.134 1.00 0.00 C ATOM 329 C GLY A 23 -11.584 7.765 12.293 1.00 0.00 C ATOM 330 O GLY A 23 -10.628 6.992 12.262 1.00 0.00 O ATOM 0 H GLY A 23 -12.558 9.168 14.291 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.581 6.652 13.848 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.612 7.058 12.490 1.00 0.00 H new ATOM 334 N ARG A 24 -11.644 8.911 11.630 1.00 0.00 N ATOM 335 CA ARG A 24 -10.542 9.348 10.790 1.00 0.00 C ATOM 336 C ARG A 24 -9.206 9.095 11.493 1.00 0.00 C ATOM 337 O ARG A 24 -8.942 9.661 12.552 1.00 0.00 O ATOM 338 CB ARG A 24 -10.661 10.836 10.456 1.00 0.00 C ATOM 339 CG ARG A 24 -11.425 11.045 9.147 1.00 0.00 C ATOM 340 CD ARG A 24 -12.696 11.866 9.379 1.00 0.00 C ATOM 341 NE ARG A 24 -12.351 13.295 9.543 1.00 0.00 N ATOM 342 CZ ARG A 24 -12.164 14.145 8.524 1.00 0.00 C ATOM 343 NH1 ARG A 24 -12.286 13.714 7.261 1.00 0.00 N ATOM 344 NH2 ARG A 24 -11.854 15.426 8.768 1.00 0.00 N ATOM 0 H ARG A 24 -12.439 9.550 11.658 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.583 8.775 9.864 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.173 11.354 11.267 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.667 11.275 10.375 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.786 11.554 8.426 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.686 10.079 8.716 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.378 11.742 8.538 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.216 11.504 10.266 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.249 13.656 10.491 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.521 12.739 7.075 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.144 14.361 6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.760 15.754 9.729 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.712 16.073 7.992 1.00 0.00 H new ATOM 358 N THR A 25 -8.400 8.245 10.875 1.00 0.00 N ATOM 359 CA THR A 25 -7.099 7.911 11.428 1.00 0.00 C ATOM 360 C THR A 25 -6.079 7.709 10.306 1.00 0.00 C ATOM 361 O THR A 25 -6.383 7.088 9.289 1.00 0.00 O ATOM 362 CB THR A 25 -7.267 6.682 12.323 1.00 0.00 C ATOM 363 OG1 THR A 25 -5.938 6.355 12.718 1.00 0.00 O ATOM 364 CG2 THR A 25 -7.739 5.451 11.546 1.00 0.00 C ATOM 0 H THR A 25 -8.623 7.777 9.996 1.00 0.00 H new ATOM 0 HA THR A 25 -6.708 8.725 12.038 1.00 0.00 H new ATOM 0 HB THR A 25 -7.981 6.906 13.116 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.955 5.569 13.303 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.842 4.607 12.228 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.702 5.661 11.081 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.009 5.206 10.774 1.00 0.00 H new ATOM 372 N TYR A 26 -4.888 8.247 10.528 1.00 0.00 N ATOM 373 CA TYR A 26 -3.821 8.134 9.549 1.00 0.00 C ATOM 374 C TYR A 26 -2.677 7.269 10.081 1.00 0.00 C ATOM 375 O TYR A 26 -2.689 6.864 11.243 1.00 0.00 O ATOM 376 CB TYR A 26 -3.306 9.557 9.321 1.00 0.00 C ATOM 377 CG TYR A 26 -4.236 10.428 8.475 1.00 0.00 C ATOM 378 CD1 TYR A 26 -5.542 10.632 8.874 1.00 0.00 C ATOM 379 CD2 TYR A 26 -3.771 11.009 7.314 1.00 0.00 C ATOM 380 CE1 TYR A 26 -6.418 11.452 8.078 1.00 0.00 C ATOM 381 CE2 TYR A 26 -4.647 11.829 6.517 1.00 0.00 C ATOM 382 CZ TYR A 26 -5.927 12.010 6.939 1.00 0.00 C ATOM 383 OH TYR A 26 -6.754 12.785 6.187 1.00 0.00 O ATOM 0 H TYR A 26 -4.639 8.762 11.372 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.188 7.670 8.633 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.156 10.037 10.288 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.331 9.506 8.835 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.906 10.177 9.783 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.749 10.849 7.002 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.442 11.620 8.379 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.295 12.289 5.605 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.268 13.118 5.404 1.00 0.00 H new ATOM 393 N ALA A 27 -1.715 7.012 9.207 1.00 0.00 N ATOM 394 CA ALA A 27 -0.566 6.202 9.575 1.00 0.00 C ATOM 395 C ALA A 27 0.673 6.721 8.843 1.00 0.00 C ATOM 396 O ALA A 27 0.578 7.635 8.024 1.00 0.00 O ATOM 397 CB ALA A 27 -0.855 4.733 9.262 1.00 0.00 C ATOM 0 H ALA A 27 -1.708 7.350 8.245 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.372 6.275 10.645 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.007 4.126 9.538 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.726 4.405 9.829 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.052 4.620 8.196 1.00 0.00 H new ATOM 403 N ASP A 28 1.807 6.116 9.163 1.00 0.00 N ATOM 404 CA ASP A 28 3.064 6.506 8.547 1.00 0.00 C ATOM 405 C ASP A 28 3.920 5.260 8.313 1.00 0.00 C ATOM 406 O ASP A 28 4.047 4.414 9.197 1.00 0.00 O ATOM 407 CB ASP A 28 3.850 7.457 9.451 1.00 0.00 C ATOM 408 CG ASP A 28 3.136 8.769 9.786 1.00 0.00 C ATOM 409 OD1 ASP A 28 2.675 9.425 8.827 1.00 0.00 O ATOM 410 OD2 ASP A 28 3.068 9.085 10.993 1.00 0.00 O ATOM 0 H ASP A 28 1.882 5.358 9.841 1.00 0.00 H new ATOM 0 HA ASP A 28 2.837 7.009 7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.083 6.940 10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.800 7.690 8.969 1.00 0.00 H new ATOM 415 N TYR A 29 4.486 5.186 7.117 1.00 0.00 N ATOM 416 CA TYR A 29 5.327 4.057 6.756 1.00 0.00 C ATOM 417 C TYR A 29 6.563 4.520 5.981 1.00 0.00 C ATOM 418 O TYR A 29 6.749 5.715 5.759 1.00 0.00 O ATOM 419 CB TYR A 29 4.474 3.168 5.849 1.00 0.00 C ATOM 420 CG TYR A 29 3.262 2.549 6.547 1.00 0.00 C ATOM 421 CD1 TYR A 29 3.430 1.476 7.399 1.00 0.00 C ATOM 422 CD2 TYR A 29 2.000 3.062 6.325 1.00 0.00 C ATOM 423 CE1 TYR A 29 2.288 0.893 8.056 1.00 0.00 C ATOM 424 CE2 TYR A 29 0.859 2.479 6.981 1.00 0.00 C ATOM 425 CZ TYR A 29 1.060 1.423 7.815 1.00 0.00 C ATOM 426 OH TYR A 29 -0.018 0.873 8.435 1.00 0.00 O ATOM 0 H TYR A 29 4.379 5.889 6.386 1.00 0.00 H new ATOM 0 HA TYR A 29 5.672 3.534 7.648 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.129 3.758 5.000 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.098 2.369 5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.417 1.074 7.573 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.868 3.902 5.659 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.405 0.053 8.725 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.134 2.871 6.815 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.829 1.355 8.169 1.00 0.00 H new ATOM 436 N GLU A 30 7.375 3.548 5.591 1.00 0.00 N ATOM 437 CA GLU A 30 8.587 3.841 4.845 1.00 0.00 C ATOM 438 C GLU A 30 8.486 3.280 3.425 1.00 0.00 C ATOM 439 O GLU A 30 8.990 3.882 2.479 1.00 0.00 O ATOM 440 CB GLU A 30 9.820 3.290 5.565 1.00 0.00 C ATOM 441 CG GLU A 30 10.103 4.077 6.846 1.00 0.00 C ATOM 442 CD GLU A 30 11.574 3.954 7.252 1.00 0.00 C ATOM 443 OE1 GLU A 30 12.422 4.421 6.461 1.00 0.00 O ATOM 444 OE2 GLU A 30 11.816 3.395 8.343 1.00 0.00 O ATOM 0 H GLU A 30 7.217 2.558 5.777 1.00 0.00 H new ATOM 0 HA GLU A 30 8.697 4.923 4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.665 2.238 5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.685 3.341 4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.850 5.127 6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.468 3.708 7.651 1.00 0.00 H new ATOM 451 N SER A 31 7.830 2.133 3.322 1.00 0.00 N ATOM 452 CA SER A 31 7.656 1.484 2.034 1.00 0.00 C ATOM 453 C SER A 31 6.180 1.506 1.632 1.00 0.00 C ATOM 454 O SER A 31 5.299 1.382 2.482 1.00 0.00 O ATOM 455 CB SER A 31 8.175 0.045 2.067 1.00 0.00 C ATOM 456 OG SER A 31 9.405 -0.095 1.360 1.00 0.00 O ATOM 0 H SER A 31 7.413 1.637 4.110 1.00 0.00 H new ATOM 0 HA SER A 31 8.236 2.034 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.314 -0.267 3.102 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.429 -0.620 1.632 1.00 0.00 H new ATOM 0 HG SER A 31 9.704 -1.027 1.406 1.00 0.00 H new ATOM 462 N VAL A 32 5.954 1.664 0.336 1.00 0.00 N ATOM 463 CA VAL A 32 4.600 1.704 -0.189 1.00 0.00 C ATOM 464 C VAL A 32 3.871 0.415 0.194 1.00 0.00 C ATOM 465 O VAL A 32 2.660 0.422 0.411 1.00 0.00 O ATOM 466 CB VAL A 32 4.631 1.948 -1.699 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.284 1.602 -2.337 1.00 0.00 C ATOM 468 CG2 VAL A 32 5.032 3.390 -2.013 1.00 0.00 C ATOM 0 H VAL A 32 6.687 1.766 -0.366 1.00 0.00 H new ATOM 0 HA VAL A 32 4.045 2.534 0.249 1.00 0.00 H new ATOM 0 HB VAL A 32 5.385 1.290 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.332 1.784 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.055 0.552 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.503 2.223 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.046 3.537 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.312 4.074 -1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.024 3.589 -1.607 1.00 0.00 H new ATOM 478 N ASN A 33 4.639 -0.663 0.266 1.00 0.00 N ATOM 479 CA ASN A 33 4.082 -1.957 0.619 1.00 0.00 C ATOM 480 C ASN A 33 3.483 -1.883 2.025 1.00 0.00 C ATOM 481 O ASN A 33 2.325 -2.245 2.230 1.00 0.00 O ATOM 482 CB ASN A 33 5.163 -3.040 0.622 1.00 0.00 C ATOM 483 CG ASN A 33 5.017 -3.957 1.839 1.00 0.00 C ATOM 484 OD1 ASN A 33 4.058 -4.698 1.978 1.00 0.00 O ATOM 485 ND2 ASN A 33 6.019 -3.866 2.708 1.00 0.00 N ATOM 0 H ASN A 33 5.643 -0.666 0.086 1.00 0.00 H new ATOM 0 HA ASN A 33 3.321 -2.209 -0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.095 -3.629 -0.292 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.149 -2.575 0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.015 -4.438 3.553 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.792 -3.224 2.530 1.00 0.00 H new ATOM 492 N GLU A 34 4.297 -1.412 2.957 1.00 0.00 N ATOM 493 CA GLU A 34 3.862 -1.286 4.338 1.00 0.00 C ATOM 494 C GLU A 34 2.490 -0.612 4.402 1.00 0.00 C ATOM 495 O GLU A 34 1.663 -0.959 5.243 1.00 0.00 O ATOM 496 CB GLU A 34 4.891 -0.518 5.169 1.00 0.00 C ATOM 497 CG GLU A 34 6.246 -1.227 5.157 1.00 0.00 C ATOM 498 CD GLU A 34 6.166 -2.575 5.876 1.00 0.00 C ATOM 499 OE1 GLU A 34 6.383 -2.576 7.107 1.00 0.00 O ATOM 500 OE2 GLU A 34 5.890 -3.575 5.178 1.00 0.00 O ATOM 0 H GLU A 34 5.256 -1.113 2.783 1.00 0.00 H new ATOM 0 HA GLU A 34 3.774 -2.285 4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.002 0.492 4.774 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.536 -0.422 6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.572 -1.378 4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.994 -0.598 5.639 1.00 0.00 H new ATOM 507 N CYS A 35 2.292 0.341 3.502 1.00 0.00 N ATOM 508 CA CYS A 35 1.035 1.067 3.446 1.00 0.00 C ATOM 509 C CYS A 35 -0.077 0.077 3.095 1.00 0.00 C ATOM 510 O CYS A 35 -0.948 -0.202 3.918 1.00 0.00 O ATOM 511 CB CYS A 35 1.097 2.230 2.455 1.00 0.00 C ATOM 512 SG CYS A 35 -0.555 2.998 2.285 1.00 0.00 S ATOM 0 H CYS A 35 2.981 0.627 2.806 1.00 0.00 H new ATOM 0 HA CYS A 35 0.828 1.515 4.418 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.818 2.972 2.797 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.443 1.873 1.485 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.490 3.986 1.442 1.00 0.00 H new ATOM 518 N MET A 36 -0.012 -0.428 1.872 1.00 0.00 N ATOM 519 CA MET A 36 -1.002 -1.381 1.401 1.00 0.00 C ATOM 520 C MET A 36 -1.429 -2.327 2.525 1.00 0.00 C ATOM 521 O MET A 36 -2.621 -2.494 2.782 1.00 0.00 O ATOM 522 CB MET A 36 -0.420 -2.193 0.243 1.00 0.00 C ATOM 523 CG MET A 36 -0.606 -1.462 -1.088 1.00 0.00 C ATOM 524 SD MET A 36 0.867 -0.536 -1.487 1.00 0.00 S ATOM 525 CE MET A 36 0.174 1.102 -1.630 1.00 0.00 C ATOM 0 H MET A 36 0.712 -0.195 1.192 1.00 0.00 H new ATOM 0 HA MET A 36 -1.879 -0.829 1.063 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.641 -2.373 0.418 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.906 -3.168 0.198 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.820 -2.180 -1.880 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.462 -0.790 -1.027 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.471 1.541 -2.582 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.913 1.043 -1.582 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.540 1.724 -0.813 1.00 0.00 H new ATOM 535 N GLU A 37 -0.433 -2.923 3.165 1.00 0.00 N ATOM 536 CA GLU A 37 -0.691 -3.848 4.255 1.00 0.00 C ATOM 537 C GLU A 37 -1.762 -3.282 5.190 1.00 0.00 C ATOM 538 O GLU A 37 -2.824 -3.879 5.357 1.00 0.00 O ATOM 539 CB GLU A 37 0.595 -4.163 5.022 1.00 0.00 C ATOM 540 CG GLU A 37 0.977 -5.637 4.868 1.00 0.00 C ATOM 541 CD GLU A 37 1.884 -6.090 6.014 1.00 0.00 C ATOM 542 OE1 GLU A 37 1.701 -5.554 7.128 1.00 0.00 O ATOM 543 OE2 GLU A 37 2.739 -6.963 5.750 1.00 0.00 O ATOM 0 H GLU A 37 0.554 -2.783 2.949 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.062 -4.782 3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.405 -3.533 4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.461 -3.927 6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.076 -6.250 4.848 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.485 -5.787 3.916 1.00 0.00 H new ATOM 550 N GLY A 38 -1.445 -2.136 5.775 1.00 0.00 N ATOM 551 CA GLY A 38 -2.367 -1.483 6.689 1.00 0.00 C ATOM 552 C GLY A 38 -3.812 -1.628 6.207 1.00 0.00 C ATOM 553 O GLY A 38 -4.705 -1.936 6.995 1.00 0.00 O ATOM 0 H GLY A 38 -0.563 -1.643 5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.267 -1.917 7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.113 -0.427 6.775 1.00 0.00 H new ATOM 557 N VAL A 39 -3.997 -1.400 4.915 1.00 0.00 N ATOM 558 CA VAL A 39 -5.318 -1.501 4.319 1.00 0.00 C ATOM 559 C VAL A 39 -5.782 -2.959 4.362 1.00 0.00 C ATOM 560 O VAL A 39 -6.700 -3.300 5.105 1.00 0.00 O ATOM 561 CB VAL A 39 -5.300 -0.921 2.903 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.626 -1.182 2.186 1.00 0.00 C ATOM 563 CG2 VAL A 39 -4.974 0.573 2.927 1.00 0.00 C ATOM 0 H VAL A 39 -3.254 -1.146 4.264 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.039 -0.913 4.887 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.513 -1.427 2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.586 -0.759 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.799 -2.256 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.439 -0.717 2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.968 0.960 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.728 1.101 3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.994 0.724 3.379 1.00 0.00 H new ATOM 573 N CYS A 40 -5.124 -3.779 3.555 1.00 0.00 N ATOM 574 CA CYS A 40 -5.457 -5.192 3.492 1.00 0.00 C ATOM 575 C CYS A 40 -5.712 -5.690 4.916 1.00 0.00 C ATOM 576 O CYS A 40 -6.719 -6.346 5.177 1.00 0.00 O ATOM 577 CB CYS A 40 -4.363 -6.000 2.791 1.00 0.00 C ATOM 578 SG CYS A 40 -5.065 -7.548 2.112 1.00 0.00 S ATOM 0 H CYS A 40 -4.363 -3.492 2.940 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.358 -5.330 2.894 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.921 -5.409 1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.563 -6.232 3.495 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.128 -8.225 1.517 1.00 0.00 H new ATOM 584 N LYS A 41 -4.782 -5.360 5.799 1.00 0.00 N ATOM 585 CA LYS A 41 -4.893 -5.765 7.190 1.00 0.00 C ATOM 586 C LYS A 41 -6.345 -5.614 7.646 1.00 0.00 C ATOM 587 O LYS A 41 -6.931 -6.552 8.184 1.00 0.00 O ATOM 588 CB LYS A 41 -3.893 -4.994 8.054 1.00 0.00 C ATOM 589 CG LYS A 41 -2.455 -5.400 7.724 1.00 0.00 C ATOM 590 CD LYS A 41 -2.039 -6.640 8.517 1.00 0.00 C ATOM 591 CE LYS A 41 -0.647 -7.118 8.097 1.00 0.00 C ATOM 592 NZ LYS A 41 -0.477 -8.555 8.409 1.00 0.00 N ATOM 0 H LYS A 41 -3.948 -4.816 5.578 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.631 -6.817 7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.018 -3.923 7.893 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.095 -5.184 9.108 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.366 -5.600 6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.779 -4.575 7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.043 -6.413 9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.765 -7.438 8.358 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.506 -6.952 7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.116 -6.535 8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.473 -8.863 8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.591 -8.704 9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.193 -9.109 7.897 1.00 0.00 H new ATOM 606 N MET A 42 -6.884 -4.426 7.415 1.00 0.00 N ATOM 607 CA MET A 42 -8.256 -4.140 7.796 1.00 0.00 C ATOM 608 C MET A 42 -9.141 -5.377 7.630 1.00 0.00 C ATOM 609 O MET A 42 -9.552 -5.987 8.615 1.00 0.00 O ATOM 610 CB MET A 42 -8.800 -3.003 6.929 1.00 0.00 C ATOM 611 CG MET A 42 -8.012 -1.712 7.159 1.00 0.00 C ATOM 612 SD MET A 42 -9.010 -0.299 6.718 1.00 0.00 S ATOM 613 CE MET A 42 -8.777 -0.296 4.948 1.00 0.00 C ATOM 0 H MET A 42 -6.395 -3.650 6.969 1.00 0.00 H new ATOM 0 HA MET A 42 -8.268 -3.846 8.846 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.745 -3.284 5.877 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.852 -2.837 7.159 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.710 -1.642 8.204 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.099 -1.723 6.563 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.684 0.064 4.462 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.944 0.359 4.692 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.560 -1.309 4.608 1.00 0.00 H new ATOM 623 N TYR A 43 -9.408 -5.710 6.375 1.00 0.00 N ATOM 624 CA TYR A 43 -10.236 -6.863 6.067 1.00 0.00 C ATOM 625 C TYR A 43 -9.746 -8.105 6.815 1.00 0.00 C ATOM 626 O TYR A 43 -10.537 -8.810 7.439 1.00 0.00 O ATOM 627 CB TYR A 43 -10.090 -7.098 4.562 1.00 0.00 C ATOM 628 CG TYR A 43 -11.275 -7.829 3.929 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.533 -7.263 3.963 1.00 0.00 C ATOM 630 CD2 TYR A 43 -11.085 -9.054 3.322 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.649 -7.951 3.367 1.00 0.00 C ATOM 632 CE2 TYR A 43 -12.201 -9.742 2.726 1.00 0.00 C ATOM 633 CZ TYR A 43 -13.427 -9.157 2.777 1.00 0.00 C ATOM 634 OH TYR A 43 -14.481 -9.807 2.214 1.00 0.00 O ATOM 0 H TYR A 43 -9.065 -5.201 5.560 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.269 -6.683 6.363 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.962 -6.136 4.065 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -9.182 -7.674 4.381 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.681 -6.304 4.437 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -10.100 -9.496 3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.639 -7.520 3.388 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.067 -10.702 2.249 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.937 -9.209 1.586 1.00 0.00 H new ATOM 644 N GLU A 44 -8.444 -8.335 6.725 1.00 0.00 N ATOM 645 CA GLU A 44 -7.839 -9.480 7.385 1.00 0.00 C ATOM 646 C GLU A 44 -8.299 -9.557 8.842 1.00 0.00 C ATOM 647 O GLU A 44 -8.662 -10.627 9.327 1.00 0.00 O ATOM 648 CB GLU A 44 -6.313 -9.422 7.294 1.00 0.00 C ATOM 649 CG GLU A 44 -5.834 -9.773 5.884 1.00 0.00 C ATOM 650 CD GLU A 44 -4.796 -10.896 5.921 1.00 0.00 C ATOM 651 OE1 GLU A 44 -4.173 -11.058 6.993 1.00 0.00 O ATOM 652 OE2 GLU A 44 -4.649 -11.568 4.878 1.00 0.00 O ATOM 0 H GLU A 44 -7.791 -7.748 6.205 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.166 -10.385 6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.967 -8.424 7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.876 -10.114 8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.683 -10.078 5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.403 -8.890 5.412 1.00 0.00 H new ATOM 659 N GLU A 45 -8.269 -8.407 9.500 1.00 0.00 N ATOM 660 CA GLU A 45 -8.678 -8.331 10.893 1.00 0.00 C ATOM 661 C GLU A 45 -10.079 -8.920 11.067 1.00 0.00 C ATOM 662 O GLU A 45 -10.248 -9.944 11.727 1.00 0.00 O ATOM 663 CB GLU A 45 -8.623 -6.889 11.402 1.00 0.00 C ATOM 664 CG GLU A 45 -7.218 -6.304 11.242 1.00 0.00 C ATOM 665 CD GLU A 45 -6.361 -6.592 12.476 1.00 0.00 C ATOM 666 OE1 GLU A 45 -6.611 -5.931 13.507 1.00 0.00 O ATOM 667 OE2 GLU A 45 -5.474 -7.465 12.361 1.00 0.00 O ATOM 0 H GLU A 45 -7.968 -7.521 9.095 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.981 -8.919 11.489 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.340 -6.278 10.853 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.916 -6.859 12.451 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.742 -6.728 10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.284 -5.228 11.084 1.00 0.00 H new ATOM 674 N HIS A 46 -11.049 -8.248 10.464 1.00 0.00 N ATOM 675 CA HIS A 46 -12.430 -8.693 10.544 1.00 0.00 C ATOM 676 C HIS A 46 -12.509 -10.184 10.211 1.00 0.00 C ATOM 677 O HIS A 46 -13.449 -10.866 10.616 1.00 0.00 O ATOM 678 CB HIS A 46 -13.329 -7.837 9.650 1.00 0.00 C ATOM 679 CG HIS A 46 -14.529 -8.572 9.102 1.00 0.00 C ATOM 680 ND1 HIS A 46 -15.677 -8.792 9.844 1.00 0.00 N ATOM 681 CD2 HIS A 46 -14.748 -9.134 7.879 1.00 0.00 C ATOM 682 CE1 HIS A 46 -16.540 -9.457 9.091 1.00 0.00 C ATOM 683 NE2 HIS A 46 -15.963 -9.669 7.874 1.00 0.00 N ATOM 0 H HIS A 46 -10.906 -7.399 9.918 1.00 0.00 H new ATOM 0 HA HIS A 46 -12.799 -8.564 11.561 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -13.673 -6.973 10.219 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -12.738 -7.455 8.817 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -14.051 -9.142 7.054 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.528 -9.776 9.389 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.394 -10.158 7.089 1.00 0.00 H new ATOM 691 N LEU A 47 -11.510 -10.647 9.474 1.00 0.00 N ATOM 692 CA LEU A 47 -11.454 -12.045 9.081 1.00 0.00 C ATOM 693 C LEU A 47 -10.853 -12.867 10.222 1.00 0.00 C ATOM 694 O LEU A 47 -11.397 -13.905 10.598 1.00 0.00 O ATOM 695 CB LEU A 47 -10.710 -12.199 7.753 1.00 0.00 C ATOM 696 CG LEU A 47 -11.585 -12.310 6.503 1.00 0.00 C ATOM 697 CD1 LEU A 47 -12.589 -11.157 6.433 1.00 0.00 C ATOM 698 CD2 LEU A 47 -10.726 -12.400 5.240 1.00 0.00 C ATOM 0 H LEU A 47 -10.732 -10.078 9.138 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.458 -12.432 8.904 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.044 -11.345 7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.081 -13.088 7.812 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.160 -13.234 6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.199 -11.259 5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.232 -11.180 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.052 -10.209 6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.372 -12.478 4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.108 -11.506 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.085 -13.280 5.298 1.00 0.00 H new ATOM 710 N LYS A 48 -9.739 -12.373 10.742 1.00 0.00 N ATOM 711 CA LYS A 48 -9.058 -13.050 11.833 1.00 0.00 C ATOM 712 C LYS A 48 -10.097 -13.639 12.790 1.00 0.00 C ATOM 713 O LYS A 48 -10.169 -14.855 12.961 1.00 0.00 O ATOM 714 CB LYS A 48 -8.063 -12.106 12.511 1.00 0.00 C ATOM 715 CG LYS A 48 -6.711 -12.791 12.719 1.00 0.00 C ATOM 716 CD LYS A 48 -5.563 -11.890 12.259 1.00 0.00 C ATOM 717 CE LYS A 48 -5.057 -12.309 10.877 1.00 0.00 C ATOM 718 NZ LYS A 48 -3.579 -12.384 10.867 1.00 0.00 N ATOM 0 H LYS A 48 -9.291 -11.512 10.428 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.465 -13.882 11.454 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.932 -11.212 11.902 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.462 -11.781 13.472 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.583 -13.039 13.773 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.686 -13.729 12.165 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.899 -10.854 12.228 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.746 -11.939 12.979 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.478 -13.278 10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.396 -11.594 10.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.252 -12.670 9.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.183 -11.452 11.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.262 -13.083 11.569 1.00 0.00 H new ATOM 732 N ARG A 49 -10.874 -12.749 13.389 1.00 0.00 N ATOM 733 CA ARG A 49 -11.906 -13.165 14.324 1.00 0.00 C ATOM 734 C ARG A 49 -12.743 -14.296 13.722 1.00 0.00 C ATOM 735 O ARG A 49 -13.069 -15.264 14.407 1.00 0.00 O ATOM 736 CB ARG A 49 -12.824 -11.997 14.687 1.00 0.00 C ATOM 737 CG ARG A 49 -13.171 -11.167 13.449 1.00 0.00 C ATOM 738 CD ARG A 49 -14.676 -11.192 13.176 1.00 0.00 C ATOM 739 NE ARG A 49 -15.259 -9.856 13.433 1.00 0.00 N ATOM 740 CZ ARG A 49 -16.575 -9.615 13.519 1.00 0.00 C ATOM 741 NH1 ARG A 49 -17.451 -10.617 13.369 1.00 0.00 N ATOM 742 NH2 ARG A 49 -17.014 -8.371 13.754 1.00 0.00 N ATOM 0 H ARG A 49 -10.810 -11.741 13.245 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.411 -13.517 15.229 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.738 -12.377 15.143 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.337 -11.364 15.429 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.841 -10.138 13.592 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.634 -11.556 12.584 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.862 -11.486 12.143 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.157 -11.936 13.811 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.620 -9.070 13.552 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.117 -11.564 13.189 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -18.452 -10.433 13.435 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.347 -7.608 13.867 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.015 -8.187 13.819 1.00 0.00 H new ATOM 756 N MET A 50 -13.067 -14.135 12.447 1.00 0.00 N ATOM 757 CA MET A 50 -13.860 -15.130 11.745 1.00 0.00 C ATOM 758 C MET A 50 -13.065 -16.422 11.543 1.00 0.00 C ATOM 759 O MET A 50 -13.602 -17.517 11.704 1.00 0.00 O ATOM 760 CB MET A 50 -14.287 -14.575 10.385 1.00 0.00 C ATOM 761 CG MET A 50 -15.320 -13.458 10.548 1.00 0.00 C ATOM 762 SD MET A 50 -16.830 -13.894 9.703 1.00 0.00 S ATOM 763 CE MET A 50 -16.177 -14.299 8.091 1.00 0.00 C ATOM 0 H MET A 50 -12.795 -13.331 11.882 1.00 0.00 H new ATOM 0 HA MET A 50 -14.740 -15.358 12.347 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.415 -14.194 9.854 1.00 0.00 H new ATOM 0 HB3 MET A 50 -14.706 -15.376 9.776 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.521 -13.289 11.606 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.925 -12.525 10.146 1.00 0.00 H new ATOM 0 HE1 MET A 50 -16.889 -13.996 7.323 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.234 -13.775 7.938 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.009 -15.374 8.026 1.00 0.00 H new ATOM 773 N ASN A 51 -11.798 -16.251 11.194 1.00 0.00 N ATOM 774 CA ASN A 51 -10.924 -17.389 10.969 1.00 0.00 C ATOM 775 C ASN A 51 -9.804 -17.381 12.011 1.00 0.00 C ATOM 776 O ASN A 51 -8.851 -16.612 11.897 1.00 0.00 O ATOM 777 CB ASN A 51 -10.280 -17.324 9.582 1.00 0.00 C ATOM 778 CG ASN A 51 -11.342 -17.159 8.493 1.00 0.00 C ATOM 779 OD1 ASN A 51 -11.645 -18.072 7.742 1.00 0.00 O ATOM 780 ND2 ASN A 51 -11.887 -15.946 8.447 1.00 0.00 N ATOM 0 H ASN A 51 -11.356 -15.341 11.062 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.525 -18.295 11.045 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.579 -16.490 9.541 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.706 -18.232 9.401 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.604 -15.735 7.753 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.587 -15.227 9.106 1.00 0.00 H new ATOM 787 N PRO A 52 -9.960 -18.269 13.029 1.00 0.00 N ATOM 788 CA PRO A 52 -8.973 -18.371 14.091 1.00 0.00 C ATOM 789 C PRO A 52 -7.717 -19.097 13.604 1.00 0.00 C ATOM 790 O PRO A 52 -6.607 -18.587 13.744 1.00 0.00 O ATOM 791 CB PRO A 52 -9.683 -19.103 15.219 1.00 0.00 C ATOM 792 CG PRO A 52 -10.879 -19.790 14.581 1.00 0.00 C ATOM 793 CD PRO A 52 -11.076 -19.196 13.197 1.00 0.00 C ATOM 0 HA PRO A 52 -8.616 -17.398 14.428 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.021 -19.829 15.691 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.000 -18.408 15.997 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.711 -20.865 14.514 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.772 -19.644 15.189 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.067 -19.970 12.429 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -12.034 -18.681 13.120 1.00 0.00 H new ATOM 801 N ASN A 53 -7.935 -20.277 13.042 1.00 0.00 N ATOM 802 CA ASN A 53 -6.835 -21.079 12.534 1.00 0.00 C ATOM 803 C ASN A 53 -6.064 -20.273 11.487 1.00 0.00 C ATOM 804 O ASN A 53 -4.844 -20.391 11.382 1.00 0.00 O ATOM 805 CB ASN A 53 -7.347 -22.356 11.865 1.00 0.00 C ATOM 806 CG ASN A 53 -8.272 -23.133 12.803 1.00 0.00 C ATOM 807 OD1 ASN A 53 -7.842 -23.925 13.626 1.00 0.00 O ATOM 808 ND2 ASN A 53 -9.564 -22.864 12.634 1.00 0.00 N ATOM 0 H ASN A 53 -8.857 -20.697 12.927 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.195 -21.345 13.375 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.881 -22.102 10.950 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.503 -22.984 11.578 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.262 -23.332 13.212 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.856 -22.190 11.926 1.00 0.00 H new ATOM 815 N SER A 54 -6.807 -19.472 10.738 1.00 0.00 N ATOM 816 CA SER A 54 -6.209 -18.646 9.703 1.00 0.00 C ATOM 817 C SER A 54 -4.891 -18.051 10.204 1.00 0.00 C ATOM 818 O SER A 54 -4.892 -17.067 10.942 1.00 0.00 O ATOM 819 CB SER A 54 -7.162 -17.532 9.266 1.00 0.00 C ATOM 820 OG SER A 54 -7.901 -17.888 8.101 1.00 0.00 O ATOM 0 H SER A 54 -7.819 -19.377 10.827 1.00 0.00 H new ATOM 0 HA SER A 54 -6.010 -19.276 8.836 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.853 -17.306 10.078 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.592 -16.624 9.070 1.00 0.00 H new ATOM 0 HG SER A 54 -8.246 -17.077 7.672 1.00 0.00 H new ATOM 826 N PRO A 55 -3.771 -18.690 9.772 1.00 0.00 N ATOM 827 CA PRO A 55 -2.450 -18.234 10.170 1.00 0.00 C ATOM 828 C PRO A 55 -2.058 -16.962 9.414 1.00 0.00 C ATOM 829 O PRO A 55 -1.523 -16.025 10.004 1.00 0.00 O ATOM 830 CB PRO A 55 -1.526 -19.405 9.880 1.00 0.00 C ATOM 831 CG PRO A 55 -2.277 -20.298 8.906 1.00 0.00 C ATOM 832 CD PRO A 55 -3.732 -19.858 8.898 1.00 0.00 C ATOM 0 HA PRO A 55 -2.401 -17.956 11.223 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.585 -19.063 9.450 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.281 -19.945 10.795 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.849 -20.218 7.907 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.196 -21.343 9.205 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.065 -19.610 7.890 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.387 -20.649 9.264 1.00 0.00 H new ATOM 840 N SER A 56 -2.340 -16.971 8.120 1.00 0.00 N ATOM 841 CA SER A 56 -2.024 -15.830 7.277 1.00 0.00 C ATOM 842 C SER A 56 -3.286 -15.342 6.563 1.00 0.00 C ATOM 843 O SER A 56 -3.234 -14.391 5.784 1.00 0.00 O ATOM 844 CB SER A 56 -0.940 -16.183 6.257 1.00 0.00 C ATOM 845 OG SER A 56 0.306 -16.477 6.882 1.00 0.00 O ATOM 0 H SER A 56 -2.784 -17.750 7.634 1.00 0.00 H new ATOM 0 HA SER A 56 -1.641 -15.031 7.912 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.262 -17.042 5.669 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.811 -15.352 5.563 1.00 0.00 H new ATOM 0 HG SER A 56 0.971 -16.699 6.197 1.00 0.00 H new ATOM 851 N ILE A 57 -4.390 -16.014 6.854 1.00 0.00 N ATOM 852 CA ILE A 57 -5.663 -15.660 6.250 1.00 0.00 C ATOM 853 C ILE A 57 -5.617 -15.973 4.753 1.00 0.00 C ATOM 854 O ILE A 57 -4.549 -16.238 4.204 1.00 0.00 O ATOM 855 CB ILE A 57 -6.019 -14.205 6.563 1.00 0.00 C ATOM 856 CG1 ILE A 57 -6.081 -13.968 8.073 1.00 0.00 C ATOM 857 CG2 ILE A 57 -7.318 -13.796 5.865 1.00 0.00 C ATOM 858 CD1 ILE A 57 -7.486 -13.544 8.505 1.00 0.00 C ATOM 0 H ILE A 57 -4.429 -16.802 7.500 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.467 -16.260 6.677 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.227 -13.568 6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.794 -14.878 8.599 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.363 -13.198 8.353 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.548 -12.758 6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.201 -13.903 4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.132 -14.436 6.207 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.502 -13.382 9.583 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -7.760 -12.620 7.995 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.198 -14.327 8.245 1.00 0.00 H new ATOM 870 N THR A 58 -6.789 -15.932 4.136 1.00 0.00 N ATOM 871 CA THR A 58 -6.895 -16.208 2.713 1.00 0.00 C ATOM 872 C THR A 58 -8.343 -16.049 2.246 1.00 0.00 C ATOM 873 O THR A 58 -9.265 -16.548 2.890 1.00 0.00 O ATOM 874 CB THR A 58 -6.324 -17.605 2.459 1.00 0.00 C ATOM 875 OG1 THR A 58 -5.700 -17.497 1.182 1.00 0.00 O ATOM 876 CG2 THR A 58 -7.417 -18.655 2.252 1.00 0.00 C ATOM 0 H THR A 58 -7.673 -15.712 4.595 1.00 0.00 H new ATOM 0 HA THR A 58 -6.317 -15.493 2.127 1.00 0.00 H new ATOM 0 HB THR A 58 -5.694 -17.898 3.298 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.301 -18.359 0.939 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.958 -19.628 2.076 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.046 -18.706 3.141 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.027 -18.380 1.392 1.00 0.00 H new ATOM 884 N TYR A 59 -8.498 -15.353 1.130 1.00 0.00 N ATOM 885 CA TYR A 59 -9.819 -15.122 0.569 1.00 0.00 C ATOM 886 C TYR A 59 -9.721 -14.483 -0.818 1.00 0.00 C ATOM 887 O TYR A 59 -8.637 -14.403 -1.394 1.00 0.00 O ATOM 888 CB TYR A 59 -10.516 -14.146 1.519 1.00 0.00 C ATOM 889 CG TYR A 59 -9.654 -12.948 1.923 1.00 0.00 C ATOM 890 CD1 TYR A 59 -9.498 -11.887 1.055 1.00 0.00 C ATOM 891 CD2 TYR A 59 -9.033 -12.929 3.155 1.00 0.00 C ATOM 892 CE1 TYR A 59 -8.687 -10.759 1.435 1.00 0.00 C ATOM 893 CE2 TYR A 59 -8.222 -11.802 3.535 1.00 0.00 C ATOM 894 CZ TYR A 59 -8.089 -10.772 2.656 1.00 0.00 C ATOM 895 OH TYR A 59 -7.323 -9.707 3.015 1.00 0.00 O ATOM 0 H TYR A 59 -7.731 -14.941 0.599 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.361 -16.062 0.464 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.427 -13.781 1.045 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.818 -14.683 2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.984 -11.902 0.091 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.155 -13.760 3.834 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.557 -9.922 0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.730 -11.775 4.496 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.728 -9.468 2.274 1.00 0.00 H new ATOM 905 N ASP A 60 -10.869 -14.045 -1.314 1.00 0.00 N ATOM 906 CA ASP A 60 -10.926 -13.415 -2.623 1.00 0.00 C ATOM 907 C ASP A 60 -10.503 -11.950 -2.498 1.00 0.00 C ATOM 908 O ASP A 60 -11.083 -11.196 -1.719 1.00 0.00 O ATOM 909 CB ASP A 60 -12.347 -13.450 -3.188 1.00 0.00 C ATOM 910 CG ASP A 60 -12.827 -14.828 -3.650 1.00 0.00 C ATOM 911 OD1 ASP A 60 -12.156 -15.393 -4.540 1.00 0.00 O ATOM 912 OD2 ASP A 60 -13.853 -15.285 -3.101 1.00 0.00 O ATOM 0 H ASP A 60 -11.766 -14.114 -0.834 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.258 -13.961 -3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.034 -13.079 -2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.404 -12.761 -4.031 1.00 0.00 H new ATOM 917 N ILE A 61 -9.494 -11.591 -3.278 1.00 0.00 N ATOM 918 CA ILE A 61 -8.985 -10.230 -3.265 1.00 0.00 C ATOM 919 C ILE A 61 -10.102 -9.269 -3.678 1.00 0.00 C ATOM 920 O ILE A 61 -10.112 -8.110 -3.267 1.00 0.00 O ATOM 921 CB ILE A 61 -7.728 -10.119 -4.130 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.546 -9.593 -3.314 1.00 0.00 C ATOM 923 CG2 ILE A 61 -7.991 -9.267 -5.374 1.00 0.00 C ATOM 924 CD1 ILE A 61 -5.291 -9.473 -4.181 1.00 0.00 C ATOM 0 H ILE A 61 -9.015 -12.219 -3.923 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.677 -9.948 -2.258 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.462 -11.118 -4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.795 -8.619 -2.892 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.351 -10.263 -2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.081 -9.204 -5.971 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.783 -9.724 -5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.296 -8.265 -5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.466 -9.097 -3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.030 -10.453 -4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.482 -8.784 -5.004 1.00 0.00 H new ATOM 936 N SER A 62 -11.016 -9.787 -4.485 1.00 0.00 N ATOM 937 CA SER A 62 -12.135 -8.989 -4.958 1.00 0.00 C ATOM 938 C SER A 62 -13.180 -8.845 -3.850 1.00 0.00 C ATOM 939 O SER A 62 -13.926 -7.867 -3.819 1.00 0.00 O ATOM 940 CB SER A 62 -12.767 -9.611 -6.205 1.00 0.00 C ATOM 941 OG SER A 62 -12.329 -8.971 -7.401 1.00 0.00 O ATOM 0 H SER A 62 -11.005 -10.749 -4.823 1.00 0.00 H new ATOM 0 HA SER A 62 -11.761 -8.001 -5.227 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.516 -10.671 -6.248 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.853 -9.543 -6.134 1.00 0.00 H new ATOM 0 HG SER A 62 -12.753 -9.398 -8.175 1.00 0.00 H new ATOM 947 N GLN A 63 -13.201 -9.832 -2.967 1.00 0.00 N ATOM 948 CA GLN A 63 -14.142 -9.827 -1.860 1.00 0.00 C ATOM 949 C GLN A 63 -13.638 -8.916 -0.739 1.00 0.00 C ATOM 950 O GLN A 63 -14.393 -8.562 0.165 1.00 0.00 O ATOM 951 CB GLN A 63 -14.388 -11.246 -1.344 1.00 0.00 C ATOM 952 CG GLN A 63 -15.347 -11.237 -0.152 1.00 0.00 C ATOM 953 CD GLN A 63 -16.442 -12.292 -0.320 1.00 0.00 C ATOM 954 OE1 GLN A 63 -16.201 -13.412 -0.740 1.00 0.00 O ATOM 955 NE2 GLN A 63 -17.655 -11.874 0.029 1.00 0.00 N ATOM 0 H GLN A 63 -12.581 -10.641 -2.996 1.00 0.00 H new ATOM 0 HA GLN A 63 -15.094 -9.436 -2.219 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.801 -11.861 -2.143 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.441 -11.699 -1.050 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.792 -11.427 0.767 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.800 -10.251 -0.053 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -17.787 -10.923 0.373 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -18.453 -12.504 -0.047 1.00 0.00 H new ATOM 964 N LEU A 64 -12.365 -8.562 -0.835 1.00 0.00 N ATOM 965 CA LEU A 64 -11.751 -7.698 0.159 1.00 0.00 C ATOM 966 C LEU A 64 -12.103 -6.242 -0.149 1.00 0.00 C ATOM 967 O LEU A 64 -12.454 -5.480 0.751 1.00 0.00 O ATOM 968 CB LEU A 64 -10.246 -7.963 0.243 1.00 0.00 C ATOM 969 CG LEU A 64 -9.357 -6.729 0.411 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.799 -5.895 1.615 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.882 -7.124 0.498 1.00 0.00 C ATOM 0 H LEU A 64 -11.742 -8.858 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.146 -7.918 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.062 -8.636 1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.938 -8.488 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.471 -6.103 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.151 -5.024 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.829 -5.567 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.733 -6.499 2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.272 -6.229 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.731 -7.782 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.590 -7.643 -0.415 1.00 0.00 H new ATOM 983 N PHE A 65 -11.997 -5.898 -1.424 1.00 0.00 N ATOM 984 CA PHE A 65 -12.300 -4.546 -1.863 1.00 0.00 C ATOM 985 C PHE A 65 -13.795 -4.248 -1.727 1.00 0.00 C ATOM 986 O PHE A 65 -14.207 -3.090 -1.769 1.00 0.00 O ATOM 987 CB PHE A 65 -11.906 -4.456 -3.338 1.00 0.00 C ATOM 988 CG PHE A 65 -10.416 -4.684 -3.600 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.533 -4.663 -2.565 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.974 -4.908 -4.866 1.00 0.00 C ATOM 991 CE1 PHE A 65 -8.150 -4.876 -2.808 1.00 0.00 C ATOM 992 CE2 PHE A 65 -8.591 -5.120 -5.109 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.709 -5.099 -4.074 1.00 0.00 C ATOM 0 H PHE A 65 -11.705 -6.532 -2.168 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.756 -3.825 -1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.480 -5.191 -3.902 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -12.185 -3.473 -3.719 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.884 -4.484 -1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.675 -4.925 -5.687 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.449 -4.861 -1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.240 -5.298 -6.115 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.657 -5.260 -4.258 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.566 -5.313 -1.568 1.00 0.00 N ATOM 1004 CA ASP A 66 -16.006 -5.180 -1.426 1.00 0.00 C ATOM 1005 C ASP A 66 -16.315 -4.279 -0.228 1.00 0.00 C ATOM 1006 O ASP A 66 -17.393 -3.691 -0.151 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.663 -6.539 -1.176 1.00 0.00 C ATOM 1008 CG ASP A 66 -17.187 -7.244 -2.429 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -16.336 -7.726 -3.207 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -18.427 -7.284 -2.581 1.00 0.00 O ATOM 0 H ASP A 66 -14.221 -6.272 -1.534 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.398 -4.754 -2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.940 -7.191 -0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -17.491 -6.403 -0.481 1.00 0.00 H new ATOM 1015 N PHE A 67 -15.350 -4.199 0.676 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.505 -3.379 1.866 1.00 0.00 C ATOM 1017 C PHE A 67 -14.877 -1.998 1.666 1.00 0.00 C ATOM 1018 O PHE A 67 -15.205 -1.054 2.382 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.777 -4.098 3.002 1.00 0.00 C ATOM 1020 CG PHE A 67 -13.801 -3.210 3.777 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.256 -2.418 4.785 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.479 -3.211 3.457 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -13.351 -1.594 5.504 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -11.574 -2.386 4.175 1.00 0.00 C ATOM 1025 CZ PHE A 67 -12.029 -1.595 5.184 1.00 0.00 C ATOM 0 H PHE A 67 -14.458 -4.688 0.609 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.563 -3.238 2.086 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.515 -4.500 3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.231 -4.947 2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.306 -2.416 5.038 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -12.118 -3.840 2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.712 -0.966 6.305 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.524 -2.386 3.920 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.341 -0.968 5.731 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.985 -1.925 0.689 1.00 0.00 N ATOM 1036 CA ILE A 68 -13.308 -0.675 0.386 1.00 0.00 C ATOM 1037 C ILE A 68 -14.329 0.342 -0.127 1.00 0.00 C ATOM 1038 O ILE A 68 -14.270 1.519 0.225 1.00 0.00 O ATOM 1039 CB ILE A 68 -12.143 -0.917 -0.576 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.948 -1.534 0.153 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.764 0.370 -1.311 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.778 -1.759 -0.806 1.00 0.00 C ATOM 0 H ILE A 68 -13.715 -2.711 0.097 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.864 -0.253 1.288 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.466 -1.636 -1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.636 -0.879 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.242 -2.482 0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.934 0.171 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.620 0.729 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.468 1.129 -0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.941 -2.198 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.087 -2.434 -1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.471 -0.805 -1.235 1.00 0.00 H new ATOM 1054 N ASP A 69 -15.243 -0.149 -0.952 1.00 0.00 N ATOM 1055 CA ASP A 69 -16.276 0.702 -1.517 1.00 0.00 C ATOM 1056 C ASP A 69 -17.179 1.216 -0.394 1.00 0.00 C ATOM 1057 O ASP A 69 -17.747 2.301 -0.497 1.00 0.00 O ATOM 1058 CB ASP A 69 -17.147 -0.073 -2.507 1.00 0.00 C ATOM 1059 CG ASP A 69 -16.555 -0.224 -3.910 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -16.605 0.776 -4.658 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -16.065 -1.336 -4.202 1.00 0.00 O ATOM 0 H ASP A 69 -15.289 -1.126 -1.242 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.787 1.527 -2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -17.337 -1.066 -2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.112 0.428 -2.588 1.00 0.00 H new ATOM 1066 N ASP A 70 -17.282 0.411 0.654 1.00 0.00 N ATOM 1067 CA ASP A 70 -18.106 0.771 1.795 1.00 0.00 C ATOM 1068 C ASP A 70 -17.551 2.043 2.438 1.00 0.00 C ATOM 1069 O ASP A 70 -18.292 2.801 3.062 1.00 0.00 O ATOM 1070 CB ASP A 70 -18.097 -0.336 2.852 1.00 0.00 C ATOM 1071 CG ASP A 70 -19.260 -0.292 3.844 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -20.415 -0.317 3.366 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -18.969 -0.235 5.058 1.00 0.00 O ATOM 0 H ASP A 70 -16.809 -0.489 0.736 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.125 0.923 1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -18.107 -1.301 2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.162 -0.278 3.409 1.00 0.00 H new ATOM 1078 N LEU A 71 -16.253 2.238 2.264 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.590 3.406 2.820 1.00 0.00 C ATOM 1080 C LEU A 71 -16.132 4.666 2.142 1.00 0.00 C ATOM 1081 O LEU A 71 -16.773 4.584 1.095 1.00 0.00 O ATOM 1082 CB LEU A 71 -14.071 3.259 2.719 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.449 2.132 3.547 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -11.973 1.943 3.195 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.655 2.374 5.044 1.00 0.00 C ATOM 0 H LEU A 71 -15.642 1.607 1.746 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.808 3.497 3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.810 3.101 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.614 4.201 3.023 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.961 1.202 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.556 1.136 3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.880 1.692 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.430 2.866 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.204 1.559 5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.186 3.316 5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.722 2.420 5.262 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.855 5.801 2.766 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.307 7.076 2.236 1.00 0.00 C ATOM 1099 C ALA A 72 -15.347 7.535 1.136 1.00 0.00 C ATOM 1100 O ALA A 72 -15.778 8.063 0.112 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.419 8.092 3.374 1.00 0.00 C ATOM 0 H ALA A 72 -15.323 5.864 3.634 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.297 6.977 1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.758 9.048 2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -17.135 7.733 4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.444 8.220 3.845 1.00 0.00 H new ATOM 1107 N ASP A 73 -14.065 7.318 1.386 1.00 0.00 N ATOM 1108 CA ASP A 73 -13.040 7.703 0.430 1.00 0.00 C ATOM 1109 C ASP A 73 -11.661 7.392 1.015 1.00 0.00 C ATOM 1110 O ASP A 73 -11.192 8.088 1.914 1.00 0.00 O ATOM 1111 CB ASP A 73 -13.100 9.203 0.133 1.00 0.00 C ATOM 1112 CG ASP A 73 -12.110 9.692 -0.926 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -11.654 8.836 -1.715 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -11.832 10.911 -0.923 1.00 0.00 O ATOM 0 H ASP A 73 -13.712 6.880 2.237 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.211 7.146 -0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.110 9.454 -0.192 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.918 9.749 1.059 1.00 0.00 H new ATOM 1119 N LEU A 74 -11.049 6.345 0.479 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.733 5.933 0.936 1.00 0.00 C ATOM 1121 C LEU A 74 -8.670 6.496 -0.009 1.00 0.00 C ATOM 1122 O LEU A 74 -8.850 6.488 -1.226 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.672 4.413 1.094 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.272 3.802 1.173 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -7.815 3.664 2.627 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -8.212 2.469 0.424 1.00 0.00 C ATOM 0 H LEU A 74 -11.441 5.770 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.529 6.342 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.218 4.139 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.198 3.959 0.254 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.575 4.480 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.817 3.227 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.794 4.647 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.508 3.019 3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.206 2.056 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.923 1.771 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.464 2.629 -0.624 1.00 0.00 H new ATOM 1138 N SER A 75 -7.586 6.971 0.586 1.00 0.00 N ATOM 1139 CA SER A 75 -6.494 7.537 -0.189 1.00 0.00 C ATOM 1140 C SER A 75 -5.163 7.282 0.521 1.00 0.00 C ATOM 1141 O SER A 75 -5.134 6.700 1.604 1.00 0.00 O ATOM 1142 CB SER A 75 -6.697 9.037 -0.413 1.00 0.00 C ATOM 1143 OG SER A 75 -8.075 9.398 -0.387 1.00 0.00 O ATOM 0 H SER A 75 -7.440 6.976 1.595 1.00 0.00 H new ATOM 0 HA SER A 75 -6.478 7.051 -1.164 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.162 9.594 0.356 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.265 9.322 -1.372 1.00 0.00 H new ATOM 0 HG SER A 75 -8.163 10.363 -0.532 1.00 0.00 H new ATOM 1149 N CYS A 76 -4.092 7.730 -0.119 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.761 7.558 0.437 1.00 0.00 C ATOM 1151 C CYS A 76 -1.866 8.674 -0.106 1.00 0.00 C ATOM 1152 O CYS A 76 -2.207 9.324 -1.092 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.194 6.171 0.129 1.00 0.00 C ATOM 1154 SG CYS A 76 -2.626 5.685 -1.582 1.00 0.00 S ATOM 0 H CYS A 76 -4.120 8.212 -1.018 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.807 7.626 1.524 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.111 6.176 0.252 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.592 5.441 0.835 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.372 6.604 -2.119 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.737 8.861 0.563 1.00 0.00 N ATOM 1161 CA LEU A 77 0.209 9.887 0.160 1.00 0.00 C ATOM 1162 C LEU A 77 1.595 9.259 -0.007 1.00 0.00 C ATOM 1163 O LEU A 77 2.250 8.921 0.978 1.00 0.00 O ATOM 1164 CB LEU A 77 0.180 11.059 1.143 1.00 0.00 C ATOM 1165 CG LEU A 77 -1.135 11.838 1.220 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.670 12.149 -0.179 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -2.163 11.094 2.074 1.00 0.00 C ATOM 0 H LEU A 77 -0.457 8.319 1.381 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.071 10.305 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.413 10.679 2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.975 11.754 0.873 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.939 12.792 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.605 12.703 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.940 12.749 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.847 11.217 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.088 11.669 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.361 10.116 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.773 10.966 3.084 1.00 0.00 H new ATOM 1179 N VAL A 78 2.000 9.123 -1.261 1.00 0.00 N ATOM 1180 CA VAL A 78 3.296 8.542 -1.569 1.00 0.00 C ATOM 1181 C VAL A 78 4.358 9.643 -1.564 1.00 0.00 C ATOM 1182 O VAL A 78 4.206 10.660 -2.240 1.00 0.00 O ATOM 1183 CB VAL A 78 3.226 7.784 -2.897 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.554 7.087 -3.200 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.069 6.783 -2.897 1.00 0.00 C ATOM 0 H VAL A 78 1.454 9.405 -2.075 1.00 0.00 H new ATOM 0 HA VAL A 78 3.580 7.814 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 78 3.040 8.510 -3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.478 6.556 -4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.349 7.830 -3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.783 6.378 -2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.042 6.258 -3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.211 6.063 -2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.129 7.314 -2.748 1.00 0.00 H new ATOM 1195 N TYR A 79 5.410 9.403 -0.795 1.00 0.00 N ATOM 1196 CA TYR A 79 6.497 10.361 -0.694 1.00 0.00 C ATOM 1197 C TYR A 79 7.570 10.087 -1.749 1.00 0.00 C ATOM 1198 O TYR A 79 8.068 8.967 -1.857 1.00 0.00 O ATOM 1199 CB TYR A 79 7.104 10.164 0.697 1.00 0.00 C ATOM 1200 CG TYR A 79 8.106 11.249 1.098 1.00 0.00 C ATOM 1201 CD1 TYR A 79 9.330 11.325 0.465 1.00 0.00 C ATOM 1202 CD2 TYR A 79 7.785 12.151 2.092 1.00 0.00 C ATOM 1203 CE1 TYR A 79 10.273 12.346 0.843 1.00 0.00 C ATOM 1204 CE2 TYR A 79 8.728 13.172 2.470 1.00 0.00 C ATOM 1205 CZ TYR A 79 9.925 13.219 1.826 1.00 0.00 C ATOM 1206 OH TYR A 79 10.816 14.183 2.183 1.00 0.00 O ATOM 0 H TYR A 79 5.532 8.559 -0.236 1.00 0.00 H new ATOM 0 HA TYR A 79 6.130 11.375 -0.851 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.300 10.137 1.432 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.601 9.194 0.731 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.581 10.619 -0.313 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.827 12.091 2.586 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.235 12.417 0.357 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.490 13.884 3.247 1.00 0.00 H new ATOM 0 HH TYR A 79 10.433 14.735 2.896 1.00 0.00 H new ATOM 1216 N ARG A 80 7.896 11.128 -2.500 1.00 0.00 N ATOM 1217 CA ARG A 80 8.901 11.014 -3.543 1.00 0.00 C ATOM 1218 C ARG A 80 10.074 11.953 -3.255 1.00 0.00 C ATOM 1219 O ARG A 80 9.877 13.143 -3.014 1.00 0.00 O ATOM 1220 CB ARG A 80 8.313 11.350 -4.915 1.00 0.00 C ATOM 1221 CG ARG A 80 7.418 12.589 -4.839 1.00 0.00 C ATOM 1222 CD ARG A 80 6.867 12.952 -6.219 1.00 0.00 C ATOM 1223 NE ARG A 80 5.677 13.821 -6.076 1.00 0.00 N ATOM 1224 CZ ARG A 80 5.054 14.416 -7.103 1.00 0.00 C ATOM 1225 NH1 ARG A 80 5.503 14.240 -8.353 1.00 0.00 N ATOM 1226 NH2 ARG A 80 3.982 15.188 -6.879 1.00 0.00 N ATOM 0 H ARG A 80 7.482 12.055 -2.407 1.00 0.00 H new ATOM 0 HA ARG A 80 9.251 9.982 -3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.119 11.522 -5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.736 10.502 -5.285 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.593 12.404 -4.151 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.986 13.428 -4.438 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.633 13.463 -6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.603 12.046 -6.764 1.00 0.00 H new ATOM 0 HE ARG A 80 5.308 13.977 -5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.319 13.653 -8.524 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.028 14.693 -9.134 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.640 15.323 -5.927 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.508 15.641 -7.660 1.00 0.00 H new ATOM 1240 N ALA A 81 11.270 11.383 -3.289 1.00 0.00 N ATOM 1241 CA ALA A 81 12.474 12.154 -3.035 1.00 0.00 C ATOM 1242 C ALA A 81 12.761 13.055 -4.238 1.00 0.00 C ATOM 1243 O ALA A 81 13.596 13.955 -4.159 1.00 0.00 O ATOM 1244 CB ALA A 81 13.634 11.204 -2.729 1.00 0.00 C ATOM 0 H ALA A 81 11.430 10.396 -3.489 1.00 0.00 H new ATOM 0 HA ALA A 81 12.341 12.797 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 81 14.538 11.783 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.393 10.607 -1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.799 10.544 -3.581 1.00 0.00 H new ATOM 1250 N ASP A 82 12.053 12.782 -5.324 1.00 0.00 N ATOM 1251 CA ASP A 82 12.221 13.556 -6.542 1.00 0.00 C ATOM 1252 C ASP A 82 11.930 15.029 -6.248 1.00 0.00 C ATOM 1253 O ASP A 82 12.689 15.908 -6.652 1.00 0.00 O ATOM 1254 CB ASP A 82 11.252 13.090 -7.630 1.00 0.00 C ATOM 1255 CG ASP A 82 11.850 12.132 -8.661 1.00 0.00 C ATOM 1256 OD1 ASP A 82 13.071 12.247 -8.902 1.00 0.00 O ATOM 1257 OD2 ASP A 82 11.073 11.305 -9.186 1.00 0.00 O ATOM 0 H ASP A 82 11.361 12.035 -5.386 1.00 0.00 H new ATOM 0 HA ASP A 82 13.245 13.419 -6.890 1.00 0.00 H new ATOM 0 HB2 ASP A 82 10.402 12.602 -7.153 1.00 0.00 H new ATOM 0 HB3 ASP A 82 10.866 13.966 -8.151 1.00 0.00 H new ATOM 1262 N THR A 83 10.827 15.253 -5.548 1.00 0.00 N ATOM 1263 CA THR A 83 10.426 16.604 -5.196 1.00 0.00 C ATOM 1264 C THR A 83 10.236 16.727 -3.683 1.00 0.00 C ATOM 1265 O THR A 83 9.865 17.789 -3.185 1.00 0.00 O ATOM 1266 CB THR A 83 9.167 16.947 -5.996 1.00 0.00 C ATOM 1267 OG1 THR A 83 8.219 15.965 -5.588 1.00 0.00 O ATOM 1268 CG2 THR A 83 9.340 16.698 -7.496 1.00 0.00 C ATOM 0 H THR A 83 10.199 14.521 -5.215 1.00 0.00 H new ATOM 0 HA THR A 83 11.200 17.326 -5.455 1.00 0.00 H new ATOM 0 HB THR A 83 8.905 17.992 -5.830 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.358 16.142 -6.021 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.418 16.957 -8.017 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.156 17.313 -7.875 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.569 15.646 -7.666 1.00 0.00 H new ATOM 1276 N GLN A 84 10.501 15.627 -2.994 1.00 0.00 N ATOM 1277 CA GLN A 84 10.364 15.598 -1.548 1.00 0.00 C ATOM 1278 C GLN A 84 8.994 16.138 -1.133 1.00 0.00 C ATOM 1279 O GLN A 84 8.907 17.081 -0.348 1.00 0.00 O ATOM 1280 CB GLN A 84 11.491 16.385 -0.875 1.00 0.00 C ATOM 1281 CG GLN A 84 12.785 15.569 -0.841 1.00 0.00 C ATOM 1282 CD GLN A 84 13.339 15.479 0.582 1.00 0.00 C ATOM 1283 OE1 GLN A 84 13.148 16.358 1.407 1.00 0.00 O ATOM 1284 NE2 GLN A 84 14.034 14.371 0.823 1.00 0.00 N ATOM 0 H GLN A 84 10.810 14.749 -3.411 1.00 0.00 H new ATOM 0 HA GLN A 84 10.440 14.563 -1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.659 17.318 -1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.198 16.651 0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.597 14.567 -1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 84 13.526 16.028 -1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 84 14.156 13.675 0.087 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.445 14.217 1.744 1.00 0.00 H new ATOM 1293 N THR A 85 7.959 15.518 -1.680 1.00 0.00 N ATOM 1294 CA THR A 85 6.597 15.925 -1.376 1.00 0.00 C ATOM 1295 C THR A 85 5.719 14.699 -1.119 1.00 0.00 C ATOM 1296 O THR A 85 6.214 13.652 -0.703 1.00 0.00 O ATOM 1297 CB THR A 85 6.097 16.799 -2.528 1.00 0.00 C ATOM 1298 OG1 THR A 85 4.825 17.263 -2.085 1.00 0.00 O ATOM 1299 CG2 THR A 85 5.781 15.987 -3.785 1.00 0.00 C ATOM 0 H THR A 85 8.036 14.737 -2.332 1.00 0.00 H new ATOM 0 HA THR A 85 6.555 16.514 -0.460 1.00 0.00 H new ATOM 0 HB THR A 85 6.848 17.553 -2.763 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.430 17.839 -2.772 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.430 16.655 -4.571 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.681 15.472 -4.121 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.006 15.254 -3.560 1.00 0.00 H new ATOM 1307 N TYR A 86 4.431 14.869 -1.376 1.00 0.00 N ATOM 1308 CA TYR A 86 3.479 13.789 -1.178 1.00 0.00 C ATOM 1309 C TYR A 86 2.613 13.585 -2.423 1.00 0.00 C ATOM 1310 O TYR A 86 2.146 14.552 -3.023 1.00 0.00 O ATOM 1311 CB TYR A 86 2.585 14.224 -0.015 1.00 0.00 C ATOM 1312 CG TYR A 86 1.558 15.295 -0.386 1.00 0.00 C ATOM 1313 CD1 TYR A 86 1.966 16.595 -0.607 1.00 0.00 C ATOM 1314 CD2 TYR A 86 0.223 14.962 -0.500 1.00 0.00 C ATOM 1315 CE1 TYR A 86 0.999 17.604 -0.957 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -0.743 15.971 -0.850 1.00 0.00 C ATOM 1317 CZ TYR A 86 -0.307 17.242 -1.061 1.00 0.00 C ATOM 1318 OH TYR A 86 -1.220 18.194 -1.391 1.00 0.00 O ATOM 0 H TYR A 86 4.024 15.739 -1.720 1.00 0.00 H new ATOM 0 HA TYR A 86 3.998 12.851 -0.979 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.060 13.351 0.373 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.214 14.602 0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.010 16.856 -0.518 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.097 13.945 -0.327 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.305 18.625 -1.133 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.790 15.724 -0.943 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.113 17.792 -1.430 1.00 0.00 H new ATOM 1328 N GLN A 87 2.425 12.322 -2.774 1.00 0.00 N ATOM 1329 CA GLN A 87 1.624 11.979 -3.936 1.00 0.00 C ATOM 1330 C GLN A 87 0.264 11.430 -3.500 1.00 0.00 C ATOM 1331 O GLN A 87 0.167 10.291 -3.046 1.00 0.00 O ATOM 1332 CB GLN A 87 2.357 10.979 -4.832 1.00 0.00 C ATOM 1333 CG GLN A 87 2.760 11.625 -6.160 1.00 0.00 C ATOM 1334 CD GLN A 87 2.236 10.812 -7.346 1.00 0.00 C ATOM 1335 OE1 GLN A 87 2.952 10.047 -7.971 1.00 0.00 O ATOM 1336 NE2 GLN A 87 0.951 11.019 -7.619 1.00 0.00 N ATOM 0 H GLN A 87 2.814 11.523 -2.274 1.00 0.00 H new ATOM 0 HA GLN A 87 1.458 12.885 -4.519 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.245 10.609 -4.319 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.716 10.118 -5.022 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.367 12.641 -6.209 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.846 11.700 -6.217 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.409 11.674 -7.055 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.508 10.523 -8.392 1.00 0.00 H new ATOM 1345 N PRO A 88 -0.780 12.287 -3.658 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.130 11.900 -3.286 1.00 0.00 C ATOM 1347 C PRO A 88 -2.724 10.932 -4.311 1.00 0.00 C ATOM 1348 O PRO A 88 -3.055 11.330 -5.427 1.00 0.00 O ATOM 1349 CB PRO A 88 -2.900 13.206 -3.186 1.00 0.00 C ATOM 1350 CG PRO A 88 -2.083 14.232 -3.953 1.00 0.00 C ATOM 1351 CD PRO A 88 -0.703 13.643 -4.194 1.00 0.00 C ATOM 0 HA PRO A 88 -2.168 11.358 -2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.898 13.104 -3.612 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.026 13.506 -2.146 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -2.566 14.474 -4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.008 15.161 -3.387 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.455 13.636 -5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 88 0.069 14.225 -3.691 1.00 0.00 H new ATOM 1359 N TYR A 89 -2.842 9.679 -3.896 1.00 0.00 N ATOM 1360 CA TYR A 89 -3.391 8.652 -4.764 1.00 0.00 C ATOM 1361 C TYR A 89 -4.805 8.263 -4.328 1.00 0.00 C ATOM 1362 O TYR A 89 -5.158 8.403 -3.158 1.00 0.00 O ATOM 1363 CB TYR A 89 -2.472 7.438 -4.614 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.232 7.481 -5.510 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.328 7.123 -6.839 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.018 7.879 -4.988 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.161 7.164 -7.682 1.00 0.00 C ATOM 1368 CE2 TYR A 89 1.149 7.920 -5.830 1.00 0.00 C ATOM 1369 CZ TYR A 89 1.020 7.561 -7.136 1.00 0.00 C ATOM 1370 OH TYR A 89 2.122 7.600 -7.932 1.00 0.00 O ATOM 0 H TYR A 89 -2.567 9.352 -2.970 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.448 9.009 -5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.154 7.362 -3.574 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.040 6.535 -4.840 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.278 6.812 -7.247 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.057 8.160 -3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.222 6.886 -8.724 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.105 8.229 -5.434 1.00 0.00 H new ATOM 0 HH TYR A 89 2.296 8.525 -8.205 1.00 0.00 H new ATOM 1380 N ASN A 90 -5.577 7.782 -5.292 1.00 0.00 N ATOM 1381 CA ASN A 90 -6.944 7.372 -5.021 1.00 0.00 C ATOM 1382 C ASN A 90 -6.944 5.949 -4.459 1.00 0.00 C ATOM 1383 O ASN A 90 -5.945 5.239 -4.558 1.00 0.00 O ATOM 1384 CB ASN A 90 -7.783 7.375 -6.301 1.00 0.00 C ATOM 1385 CG ASN A 90 -9.266 7.581 -5.984 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -9.641 8.365 -5.127 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -10.085 6.837 -6.721 1.00 0.00 N ATOM 0 H ASN A 90 -5.281 7.667 -6.261 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.372 8.076 -4.307 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.436 8.166 -6.966 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -7.648 6.432 -6.831 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.094 6.903 -6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -9.704 6.201 -7.422 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.076 5.576 -3.881 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.219 4.250 -3.303 1.00 0.00 C ATOM 1396 C LYS A 91 -7.991 3.197 -4.389 1.00 0.00 C ATOM 1397 O LYS A 91 -7.324 2.191 -4.153 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.568 4.118 -2.593 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.098 2.686 -2.685 1.00 0.00 C ATOM 1400 CD LYS A 91 -11.043 2.527 -3.878 1.00 0.00 C ATOM 1401 CE LYS A 91 -12.454 3.005 -3.527 1.00 0.00 C ATOM 1402 NZ LYS A 91 -13.468 2.191 -4.234 1.00 0.00 N ATOM 0 H LYS A 91 -8.903 6.168 -3.800 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.463 4.086 -2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.462 4.404 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.287 4.805 -3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.264 1.991 -2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.622 2.428 -1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.663 3.096 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.075 1.481 -4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.610 2.936 -2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.567 4.054 -3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.420 2.529 -3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.328 2.277 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.370 1.194 -3.954 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.556 3.466 -5.557 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.422 2.554 -6.680 1.00 0.00 C ATOM 1418 C ASP A 92 -6.941 2.243 -6.906 1.00 0.00 C ATOM 1419 O ASP A 92 -6.567 1.086 -7.090 1.00 0.00 O ATOM 1420 CB ASP A 92 -8.975 3.176 -7.964 1.00 0.00 C ATOM 1421 CG ASP A 92 -9.684 2.199 -8.904 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -8.960 1.477 -9.622 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -10.934 2.196 -8.882 1.00 0.00 O ATOM 0 H ASP A 92 -9.107 4.302 -5.750 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.982 1.649 -6.447 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.673 3.968 -7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.154 3.646 -8.505 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.138 3.297 -6.884 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.707 3.151 -7.083 1.00 0.00 C ATOM 1430 C TRP A 93 -4.192 2.116 -6.080 1.00 0.00 C ATOM 1431 O TRP A 93 -3.345 1.290 -6.415 1.00 0.00 O ATOM 1432 CB TRP A 93 -3.996 4.501 -6.967 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.480 4.425 -7.161 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -1.801 4.299 -8.308 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.478 4.477 -6.124 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.439 4.266 -8.089 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.236 4.377 -6.718 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -1.615 4.603 -4.730 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.963 4.394 -5.995 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.407 4.618 -4.023 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.850 4.519 -4.606 1.00 0.00 C ATOM 0 H TRP A 93 -6.452 4.255 -6.731 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.493 2.795 -8.091 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.413 5.184 -7.707 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.205 4.927 -5.986 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -2.262 4.232 -9.283 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.285 4.177 -8.802 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -2.576 4.682 -4.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.923 4.315 -6.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.456 4.713 -2.948 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.737 4.538 -3.990 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.727 2.196 -4.871 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.333 1.276 -3.816 1.00 0.00 C ATOM 1454 C ILE A 94 -4.876 -0.119 -4.133 1.00 0.00 C ATOM 1455 O ILE A 94 -4.125 -1.093 -4.143 1.00 0.00 O ATOM 1456 CB ILE A 94 -4.767 1.810 -2.450 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.196 3.208 -2.200 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.394 0.831 -1.335 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.220 4.102 -1.499 1.00 0.00 C ATOM 0 H ILE A 94 -5.430 2.883 -4.598 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.247 1.192 -3.769 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.853 1.901 -2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.296 3.133 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.902 3.659 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.714 1.235 -0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.888 -0.125 -1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.314 0.685 -1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.788 5.089 -1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.109 4.195 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.493 3.660 -0.541 1.00 0.00 H new ATOM 1471 N LYS A 95 -6.176 -0.170 -4.382 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.828 -1.429 -4.698 1.00 0.00 C ATOM 1473 C LYS A 95 -5.921 -2.253 -5.614 1.00 0.00 C ATOM 1474 O LYS A 95 -5.833 -3.472 -5.474 1.00 0.00 O ATOM 1475 CB LYS A 95 -8.223 -1.180 -5.275 1.00 0.00 C ATOM 1476 CG LYS A 95 -9.156 -0.585 -4.219 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.617 -0.911 -4.531 1.00 0.00 C ATOM 1478 CE LYS A 95 -11.007 -0.406 -5.921 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.434 -0.691 -6.195 1.00 0.00 N ATOM 0 H LYS A 95 -6.795 0.640 -4.371 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.983 -2.015 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.153 -0.503 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.639 -2.116 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.895 -0.976 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.022 0.496 -4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.773 -1.988 -4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.263 -0.456 -3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.825 0.666 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.383 -0.884 -6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.682 -0.342 -7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.598 -1.717 -6.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.026 -0.215 -5.485 1.00 0.00 H new ATOM 1493 N GLU A 96 -5.270 -1.554 -6.532 1.00 0.00 N ATOM 1494 CA GLU A 96 -4.373 -2.206 -7.472 1.00 0.00 C ATOM 1495 C GLU A 96 -3.074 -2.611 -6.771 1.00 0.00 C ATOM 1496 O GLU A 96 -2.577 -3.718 -6.971 1.00 0.00 O ATOM 1497 CB GLU A 96 -4.089 -1.303 -8.674 1.00 0.00 C ATOM 1498 CG GLU A 96 -5.378 -0.973 -9.429 1.00 0.00 C ATOM 1499 CD GLU A 96 -5.809 -2.144 -10.315 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -4.912 -2.730 -10.958 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -7.027 -2.426 -10.329 1.00 0.00 O ATOM 0 H GLU A 96 -5.345 -0.543 -6.645 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.859 -3.108 -7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.615 -0.381 -8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.386 -1.796 -9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.170 -0.739 -8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.227 -0.084 -10.042 1.00 0.00 H new ATOM 1508 N LYS A 97 -2.563 -1.693 -5.965 1.00 0.00 N ATOM 1509 CA LYS A 97 -1.332 -1.941 -5.234 1.00 0.00 C ATOM 1510 C LYS A 97 -1.544 -3.107 -4.267 1.00 0.00 C ATOM 1511 O LYS A 97 -0.894 -4.144 -4.387 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.845 -0.659 -4.554 1.00 0.00 C ATOM 1513 CG LYS A 97 0.494 -0.204 -5.138 1.00 0.00 C ATOM 1514 CD LYS A 97 0.385 0.022 -6.648 1.00 0.00 C ATOM 1515 CE LYS A 97 -0.028 1.462 -6.958 1.00 0.00 C ATOM 1516 NZ LYS A 97 0.160 1.757 -8.396 1.00 0.00 N ATOM 0 H LYS A 97 -2.979 -0.776 -5.802 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.536 -2.234 -5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.588 0.129 -4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.740 -0.829 -3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.813 0.717 -4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.258 -0.954 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.342 -0.196 -7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.345 -0.669 -7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.072 1.614 -6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.564 2.153 -6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.351 2.629 -8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.173 1.881 -8.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.210 0.968 -8.964 1.00 0.00 H new ATOM 1530 N ILE A 98 -2.457 -2.899 -3.330 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.763 -3.920 -2.342 1.00 0.00 C ATOM 1532 C ILE A 98 -2.755 -5.293 -3.017 1.00 0.00 C ATOM 1533 O ILE A 98 -2.069 -6.208 -2.562 1.00 0.00 O ATOM 1534 CB ILE A 98 -4.075 -3.595 -1.625 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -4.422 -4.678 -0.601 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -5.208 -3.370 -2.628 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -5.568 -4.227 0.307 1.00 0.00 C ATOM 0 H ILE A 98 -2.995 -2.038 -3.234 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.999 -3.941 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.942 -2.663 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.702 -5.596 -1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.544 -4.908 0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.129 -3.141 -2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.953 -2.537 -3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.350 -4.271 -3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.795 -5.015 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.275 -3.323 0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.452 -4.022 -0.297 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.525 -5.395 -4.090 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.615 -6.641 -4.831 1.00 0.00 C ATOM 1551 C TYR A 99 -2.225 -7.149 -5.221 1.00 0.00 C ATOM 1552 O TYR A 99 -1.867 -8.285 -4.914 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.402 -6.320 -6.103 1.00 0.00 C ATOM 1554 CG TYR A 99 -4.530 -7.498 -7.070 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -3.414 -7.980 -7.722 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -5.763 -8.080 -7.290 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -3.534 -9.089 -8.633 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -5.883 -9.189 -8.200 1.00 0.00 C ATOM 1559 CZ TYR A 99 -4.763 -9.639 -8.827 1.00 0.00 C ATOM 1560 OH TYR A 99 -4.877 -10.687 -9.687 1.00 0.00 O ATOM 0 H TYR A 99 -4.093 -4.635 -4.464 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.093 -7.412 -4.227 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.400 -5.982 -5.825 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.917 -5.491 -6.619 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.450 -7.525 -7.549 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.637 -7.703 -6.779 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.668 -9.475 -9.150 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -6.841 -9.653 -8.381 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.812 -10.978 -9.726 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.480 -6.283 -5.891 1.00 0.00 N ATOM 1571 CA VAL A 100 -0.137 -6.629 -6.325 1.00 0.00 C ATOM 1572 C VAL A 100 0.730 -6.925 -5.100 1.00 0.00 C ATOM 1573 O VAL A 100 1.628 -7.764 -5.159 1.00 0.00 O ATOM 1574 CB VAL A 100 0.432 -5.515 -7.205 1.00 0.00 C ATOM 1575 CG1 VAL A 100 1.752 -5.944 -7.849 1.00 0.00 C ATOM 1576 CG2 VAL A 100 -0.581 -5.084 -8.268 1.00 0.00 C ATOM 0 H VAL A 100 -1.781 -5.342 -6.144 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.154 -7.531 -6.937 1.00 0.00 H new ATOM 0 HB VAL A 100 0.635 -4.655 -6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.135 -5.133 -8.469 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.478 -6.178 -7.070 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.585 -6.826 -8.467 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.151 -4.291 -8.880 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.829 -5.936 -8.901 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.485 -4.717 -7.782 1.00 0.00 H new ATOM 1586 N LEU A 101 0.432 -6.220 -4.019 1.00 0.00 N ATOM 1587 CA LEU A 101 1.173 -6.396 -2.782 1.00 0.00 C ATOM 1588 C LEU A 101 1.030 -7.844 -2.308 1.00 0.00 C ATOM 1589 O LEU A 101 1.930 -8.383 -1.667 1.00 0.00 O ATOM 1590 CB LEU A 101 0.735 -5.363 -1.742 1.00 0.00 C ATOM 1591 CG LEU A 101 0.857 -5.791 -0.278 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.040 -5.096 0.399 1.00 0.00 C ATOM 1593 CD2 LEU A 101 -0.454 -5.553 0.473 1.00 0.00 C ATOM 0 H LEU A 101 -0.313 -5.525 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 101 2.236 -6.217 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.326 -4.459 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.304 -5.099 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 101 1.054 -6.863 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.104 -5.417 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.962 -5.359 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.898 -4.016 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.341 -5.865 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.706 -4.493 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.251 -6.131 0.005 1.00 0.00 H new ATOM 1605 N LEU A 102 -0.110 -8.432 -2.643 1.00 0.00 N ATOM 1606 CA LEU A 102 -0.383 -9.807 -2.260 1.00 0.00 C ATOM 1607 C LEU A 102 0.272 -10.752 -3.269 1.00 0.00 C ATOM 1608 O LEU A 102 0.614 -11.885 -2.933 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.888 -10.028 -2.097 1.00 0.00 C ATOM 1610 CG LEU A 102 -2.552 -9.288 -0.934 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -1.504 -8.705 0.015 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -3.520 -8.219 -1.447 1.00 0.00 C ATOM 0 H LEU A 102 -0.854 -7.981 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 102 0.055 -10.026 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.381 -9.728 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -2.067 -11.096 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.139 -10.006 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.003 -8.184 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.890 -9.510 0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.871 -8.004 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.979 -7.707 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.976 -7.497 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.296 -8.690 -2.050 1.00 0.00 H new ATOM 1624 N ARG A 103 0.428 -10.252 -4.486 1.00 0.00 N ATOM 1625 CA ARG A 103 1.035 -11.038 -5.546 1.00 0.00 C ATOM 1626 C ARG A 103 2.459 -11.443 -5.158 1.00 0.00 C ATOM 1627 O ARG A 103 2.775 -12.630 -5.094 1.00 0.00 O ATOM 1628 CB ARG A 103 1.076 -10.254 -6.859 1.00 0.00 C ATOM 1629 CG ARG A 103 -0.332 -9.853 -7.302 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.130 -11.074 -7.765 1.00 0.00 C ATOM 1631 NE ARG A 103 -0.689 -11.484 -9.117 1.00 0.00 N ATOM 1632 CZ ARG A 103 0.287 -12.372 -9.351 1.00 0.00 C ATOM 1633 NH1 ARG A 103 0.929 -12.947 -8.326 1.00 0.00 N ATOM 1634 NH2 ARG A 103 0.620 -12.683 -10.611 1.00 0.00 N ATOM 0 H ARG A 103 0.144 -9.312 -4.761 1.00 0.00 H new ATOM 0 HA ARG A 103 0.425 -11.930 -5.687 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.690 -9.362 -6.735 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.546 -10.860 -7.634 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.852 -9.366 -6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.269 -9.127 -8.112 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -0.992 -11.897 -7.063 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.195 -10.840 -7.776 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.157 -11.065 -9.920 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.675 -12.709 -7.367 1.00 0.00 H new ATOM 0 HH12 ARG A 103 1.672 -13.623 -8.504 1.00 0.00 H new ATOM 0 HH21 ARG A 103 0.131 -12.244 -11.391 1.00 0.00 H new ATOM 0 HH22 ARG A 103 1.363 -13.359 -10.790 1.00 0.00 H new ATOM 1648 N ARG A 104 3.279 -10.433 -4.907 1.00 0.00 N ATOM 1649 CA ARG A 104 4.662 -10.669 -4.526 1.00 0.00 C ATOM 1650 C ARG A 104 4.727 -11.346 -3.156 1.00 0.00 C ATOM 1651 O ARG A 104 5.469 -12.309 -2.970 1.00 0.00 O ATOM 1652 CB ARG A 104 5.451 -9.359 -4.478 1.00 0.00 C ATOM 1653 CG ARG A 104 4.853 -8.396 -3.451 1.00 0.00 C ATOM 1654 CD ARG A 104 5.275 -6.954 -3.740 1.00 0.00 C ATOM 1655 NE ARG A 104 6.404 -6.572 -2.864 1.00 0.00 N ATOM 1656 CZ ARG A 104 7.172 -5.490 -3.056 1.00 0.00 C ATOM 1657 NH1 ARG A 104 6.937 -4.678 -4.095 1.00 0.00 N ATOM 1658 NH2 ARG A 104 8.175 -5.222 -2.209 1.00 0.00 N ATOM 0 H ARG A 104 3.013 -9.450 -4.960 1.00 0.00 H new ATOM 0 HA ARG A 104 5.107 -11.320 -5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.491 -9.566 -4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.449 -8.893 -5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.766 -8.471 -3.467 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.177 -8.680 -2.450 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.565 -6.854 -4.786 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.434 -6.281 -3.577 1.00 0.00 H new ATOM 0 HE ARG A 104 6.611 -7.169 -2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.174 -4.883 -4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.521 -3.855 -4.241 1.00 0.00 H new ATOM 0 HH21 ARG A 104 8.354 -5.841 -1.418 1.00 0.00 H new ATOM 0 HH22 ARG A 104 8.759 -4.399 -2.355 1.00 0.00 H new ATOM 1672 N GLN A 105 3.939 -10.816 -2.232 1.00 0.00 N ATOM 1673 CA GLN A 105 3.898 -11.357 -0.884 1.00 0.00 C ATOM 1674 C GLN A 105 3.893 -12.887 -0.926 1.00 0.00 C ATOM 1675 O GLN A 105 4.620 -13.534 -0.174 1.00 0.00 O ATOM 1676 CB GLN A 105 2.685 -10.826 -0.116 1.00 0.00 C ATOM 1677 CG GLN A 105 3.084 -9.675 0.810 1.00 0.00 C ATOM 1678 CD GLN A 105 2.543 -9.896 2.224 1.00 0.00 C ATOM 1679 OE1 GLN A 105 2.791 -10.908 2.859 1.00 0.00 O ATOM 1680 NE2 GLN A 105 1.793 -8.897 2.679 1.00 0.00 N ATOM 0 H GLN A 105 3.324 -10.018 -2.390 1.00 0.00 H new ATOM 0 HA GLN A 105 4.793 -11.030 -0.355 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.925 -10.485 -0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.240 -11.631 0.469 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.170 -9.589 0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.701 -8.735 0.413 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.625 -8.078 2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.385 -8.950 3.613 1.00 0.00 H new ATOM 1689 N ALA A 106 3.065 -13.420 -1.812 1.00 0.00 N ATOM 1690 CA ALA A 106 2.956 -14.861 -1.962 1.00 0.00 C ATOM 1691 C ALA A 106 4.357 -15.465 -2.075 1.00 0.00 C ATOM 1692 O ALA A 106 4.880 -16.015 -1.107 1.00 0.00 O ATOM 1693 CB ALA A 106 2.082 -15.183 -3.176 1.00 0.00 C ATOM 0 H ALA A 106 2.463 -12.880 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 106 2.476 -15.303 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.000 -16.264 -3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.089 -14.757 -3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.533 -14.758 -4.072 1.00 0.00 H new ATOM 1699 N GLN A 107 4.925 -15.343 -3.266 1.00 0.00 N ATOM 1700 CA GLN A 107 6.256 -15.870 -3.518 1.00 0.00 C ATOM 1701 C GLN A 107 7.031 -14.932 -4.445 1.00 0.00 C ATOM 1702 O GLN A 107 7.915 -14.203 -3.999 1.00 0.00 O ATOM 1703 CB GLN A 107 6.184 -17.282 -4.101 1.00 0.00 C ATOM 1704 CG GLN A 107 5.979 -18.322 -2.997 1.00 0.00 C ATOM 1705 CD GLN A 107 7.264 -19.114 -2.744 1.00 0.00 C ATOM 1706 OE1 GLN A 107 7.782 -19.798 -3.610 1.00 0.00 O ATOM 1707 NE2 GLN A 107 7.746 -18.983 -1.511 1.00 0.00 N ATOM 0 H GLN A 107 4.488 -14.887 -4.067 1.00 0.00 H new ATOM 0 HA GLN A 107 6.788 -15.931 -2.569 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.365 -17.342 -4.818 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.102 -17.501 -4.646 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.667 -17.826 -2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.177 -19.004 -3.279 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.262 -18.393 -0.834 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.600 -19.472 -1.243 1.00 0.00 H new ATOM 1716 N GLN A 108 6.672 -14.982 -5.720 1.00 0.00 N ATOM 1717 CA GLN A 108 7.323 -14.146 -6.714 1.00 0.00 C ATOM 1718 C GLN A 108 8.724 -14.679 -7.020 1.00 0.00 C ATOM 1719 O GLN A 108 9.009 -15.073 -8.150 1.00 0.00 O ATOM 1720 CB GLN A 108 7.379 -12.688 -6.253 1.00 0.00 C ATOM 1721 CG GLN A 108 6.881 -11.746 -7.351 1.00 0.00 C ATOM 1722 CD GLN A 108 5.472 -12.131 -7.806 1.00 0.00 C ATOM 1723 OE1 GLN A 108 4.811 -12.974 -7.222 1.00 0.00 O ATOM 1724 NE2 GLN A 108 5.050 -11.468 -8.879 1.00 0.00 N ATOM 0 H GLN A 108 5.939 -15.589 -6.087 1.00 0.00 H new ATOM 0 HA GLN A 108 6.734 -14.180 -7.631 1.00 0.00 H new ATOM 0 HB2 GLN A 108 6.770 -12.562 -5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.402 -12.428 -5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 108 6.880 -10.720 -6.982 1.00 0.00 H new ATOM 0 HG3 GLN A 108 7.563 -11.779 -8.201 1.00 0.00 H new ATOM 0 HE21 GLN A 108 5.654 -10.774 -9.320 1.00 0.00 H new ATOM 0 HE22 GLN A 108 4.122 -11.653 -9.261 1.00 0.00 H new ATOM 1733 N ALA A 109 9.561 -14.674 -5.994 1.00 0.00 N ATOM 1734 CA ALA A 109 10.926 -15.152 -6.139 1.00 0.00 C ATOM 1735 C ALA A 109 11.477 -15.533 -4.763 1.00 0.00 C ATOM 1736 O ALA A 109 11.828 -16.689 -4.529 1.00 0.00 O ATOM 1737 CB ALA A 109 11.772 -14.081 -6.829 1.00 0.00 C ATOM 0 H ALA A 109 9.321 -14.347 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 109 10.956 -16.044 -6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 109 12.796 -14.440 -6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 109 11.356 -13.867 -7.814 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.768 -13.171 -6.228 1.00 0.00 H new ATOM 1743 N GLY A 110 11.536 -14.539 -3.889 1.00 0.00 N ATOM 1744 CA GLY A 110 12.039 -14.756 -2.543 1.00 0.00 C ATOM 1745 C GLY A 110 13.105 -13.720 -2.182 1.00 0.00 C ATOM 1746 O GLY A 110 14.253 -14.072 -1.913 1.00 0.00 O ATOM 0 H GLY A 110 11.244 -13.582 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.216 -14.700 -1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.460 -15.758 -2.466 1.00 0.00 H new ATOM 1750 N LYS A 111 12.689 -12.462 -2.189 1.00 0.00 N ATOM 1751 CA LYS A 111 13.594 -11.372 -1.866 1.00 0.00 C ATOM 1752 C LYS A 111 13.328 -10.901 -0.435 1.00 0.00 C ATOM 1753 O LYS A 111 12.186 -10.908 0.023 1.00 0.00 O ATOM 1754 CB LYS A 111 13.485 -10.259 -2.909 1.00 0.00 C ATOM 1755 CG LYS A 111 12.105 -9.600 -2.868 1.00 0.00 C ATOM 1756 CD LYS A 111 12.224 -8.075 -2.872 1.00 0.00 C ATOM 1757 CE LYS A 111 10.880 -7.421 -3.198 1.00 0.00 C ATOM 1758 NZ LYS A 111 11.052 -6.363 -4.218 1.00 0.00 N ATOM 0 H LYS A 111 11.737 -12.173 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 111 14.629 -11.712 -1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.255 -9.509 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 111 13.667 -10.668 -3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 111 11.518 -9.925 -3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 111 11.570 -9.924 -1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.573 -7.731 -1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 111 12.970 -7.767 -3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 111 10.181 -8.174 -3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 111 10.447 -6.995 -2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 10.130 -5.930 -4.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 11.703 -5.636 -3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 11.444 -6.779 -5.087 1.00 0.00 H new TER 1772 LYS A 111