USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 852 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 93 CYS SG : rot -32:sc= 0.162 USER MOD Set 1.2: A 98 HIS :FLIP no HD1:sc= -3.02! F(o=-3.6,f=-2.9!) USER MOD Set 2.1: A 85 HIS : no HE2:sc= -2.61 X(o=-2.8,f=-2.7) USER MOD Set 2.2: A 86 CYS SG : rot 180:sc= -0.215 USER MOD Set 3.1: A 79 ASN : amide:sc= -0.398 K(o=-0.99,f=-2.5!) USER MOD Set 3.2: A 97 MET CE :methyl -170:sc= -0.595 (180deg=-1.04) USER MOD Single : A 1 MET CE :methyl 155:sc= -0.0548 (180deg=-0.444) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.0131 (180deg=-0.0755) USER MOD Single : A 5 GLN : amide:sc= -0.0167 K(o=-0.017,f=-0.77) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 8 HIS : no HD1:sc= -0.893 X(o=-0.89,f=-1.2) USER MOD Single : A 10 GLN : amide:sc= -0.0459 X(o=-0.046,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0317) USER MOD Single : A 19 GLN : amide:sc= -1.32! X(o=-1.3!,f=-1.5) USER MOD Single : A 20 GLN : amide:sc= -0.0672 X(o=-0.067,f=-0.36) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0573 X(o=-0.057,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.0787 F(o=-1.4,f=-0.079) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 CYS SG : rot -28:sc= 0.0408 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS :FLIP no HD1:sc= 0.0509 F(o=-0.87,f=0.051) USER MOD Single : A 46 GLN : amide:sc= 1.21 K(o=1.2,f=-0.073) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.328 X(o=0.33,f=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.0219 X(o=-0.022,f=-0.35) USER MOD Single : A 58 CYS SG : rot 180:sc= -1.4 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.123 F(o=-0.65,f=-0.12) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.16 F(o=-0.76,f=-0.16) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.178 K(o=-0.18,f=-0.78) USER MOD Single : A 92 CYS SG : rot 180:sc= -0.0128 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS :FLIP no HD1:sc= -0.159 F(o=-0.83,f=-0.16) USER MOD Single : A 101 SER OG : rot -170:sc= 0.21 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.213 -1.134 6.130 1.00 0.00 N ATOM 2 CA MET A 1 -18.642 -0.392 7.267 1.00 0.00 C ATOM 3 C MET A 1 -17.734 -1.288 8.096 1.00 0.00 C ATOM 4 O MET A 1 -18.184 -2.317 8.598 1.00 0.00 O ATOM 5 CB MET A 1 -19.710 0.280 8.131 1.00 0.00 C ATOM 6 CG MET A 1 -20.671 -0.682 8.848 1.00 0.00 C ATOM 7 SD MET A 1 -22.373 -0.086 8.962 1.00 0.00 S ATOM 8 CE MET A 1 -22.802 -0.226 7.207 1.00 0.00 C ATOM 0 H1 MET A 1 -19.966 -0.568 5.689 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.468 -1.324 5.430 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.609 -2.035 6.467 1.00 0.00 H new ATOM 0 HA MET A 1 -18.038 0.414 6.850 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.214 0.897 8.880 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.295 0.951 7.502 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.668 -1.638 8.324 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.296 -0.869 9.854 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.881 -0.341 7.104 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.481 0.673 6.681 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.302 -1.095 6.779 1.00 0.00 H new ATOM 18 N GLY A 2 -16.471 -0.910 8.284 1.00 0.00 N ATOM 19 CA GLY A 2 -15.534 -1.650 9.125 1.00 0.00 C ATOM 20 C GLY A 2 -15.210 -3.054 8.589 1.00 0.00 C ATOM 21 O GLY A 2 -15.598 -3.418 7.470 1.00 0.00 O ATOM 0 H GLY A 2 -16.067 -0.077 7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.609 -1.081 9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -15.950 -1.739 10.128 1.00 0.00 H new ATOM 25 N ALA A 3 -14.491 -3.836 9.401 1.00 0.00 N ATOM 26 CA ALA A 3 -13.913 -5.136 9.077 1.00 0.00 C ATOM 27 C ALA A 3 -14.949 -6.073 8.461 1.00 0.00 C ATOM 28 O ALA A 3 -16.053 -6.235 8.994 1.00 0.00 O ATOM 29 CB ALA A 3 -13.290 -5.755 10.328 1.00 0.00 C ATOM 0 H ALA A 3 -14.287 -3.557 10.361 1.00 0.00 H new ATOM 0 HA ALA A 3 -13.132 -4.986 8.331 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -12.861 -6.725 10.079 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -12.507 -5.098 10.708 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -14.058 -5.883 11.091 1.00 0.00 H new ATOM 35 N GLY A 4 -14.610 -6.671 7.323 1.00 0.00 N ATOM 36 CA GLY A 4 -15.541 -7.337 6.426 1.00 0.00 C ATOM 37 C GLY A 4 -15.182 -6.977 4.995 1.00 0.00 C ATOM 38 O GLY A 4 -14.587 -7.775 4.266 1.00 0.00 O ATOM 0 H GLY A 4 -13.646 -6.705 6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.494 -8.417 6.567 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.563 -7.031 6.647 1.00 0.00 H new ATOM 42 N GLN A 5 -15.457 -5.728 4.609 1.00 0.00 N ATOM 43 CA GLN A 5 -15.151 -5.235 3.267 1.00 0.00 C ATOM 44 C GLN A 5 -13.709 -4.741 3.133 1.00 0.00 C ATOM 45 O GLN A 5 -13.334 -4.183 2.100 1.00 0.00 O ATOM 46 CB GLN A 5 -16.144 -4.143 2.837 1.00 0.00 C ATOM 47 CG GLN A 5 -17.575 -4.648 2.629 1.00 0.00 C ATOM 48 CD GLN A 5 -18.454 -3.604 1.938 1.00 0.00 C ATOM 49 OE1 GLN A 5 -18.012 -2.857 1.070 1.00 0.00 O ATOM 50 NE2 GLN A 5 -19.724 -3.551 2.292 1.00 0.00 N ATOM 0 H GLN A 5 -15.896 -5.035 5.215 1.00 0.00 H new ATOM 0 HA GLN A 5 -15.258 -6.086 2.594 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -16.153 -3.357 3.592 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -15.791 -3.690 1.910 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -17.555 -5.559 2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -18.011 -4.909 3.593 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -20.079 -4.177 3.015 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -20.351 -2.884 1.843 1.00 0.00 H new ATOM 59 N THR A 6 -12.879 -4.992 4.136 1.00 0.00 N ATOM 60 CA THR A 6 -11.500 -4.530 4.188 1.00 0.00 C ATOM 61 C THR A 6 -10.519 -5.693 4.349 1.00 0.00 C ATOM 62 O THR A 6 -10.877 -6.721 4.938 1.00 0.00 O ATOM 63 CB THR A 6 -11.334 -3.487 5.298 1.00 0.00 C ATOM 64 OG1 THR A 6 -11.856 -3.933 6.530 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.063 -2.207 4.914 1.00 0.00 C ATOM 0 H THR A 6 -13.153 -5.535 4.955 1.00 0.00 H new ATOM 0 HA THR A 6 -11.263 -4.054 3.236 1.00 0.00 H new ATOM 0 HB THR A 6 -10.264 -3.313 5.413 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.728 -3.239 7.210 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.942 -1.468 5.706 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.646 -1.815 3.986 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.123 -2.420 4.775 1.00 0.00 H new ATOM 73 N PRO A 7 -9.286 -5.547 3.839 1.00 0.00 N ATOM 74 CA PRO A 7 -8.255 -6.560 3.950 1.00 0.00 C ATOM 75 C PRO A 7 -7.705 -6.577 5.386 1.00 0.00 C ATOM 76 O PRO A 7 -6.798 -5.807 5.705 1.00 0.00 O ATOM 77 CB PRO A 7 -7.207 -6.183 2.896 1.00 0.00 C ATOM 78 CG PRO A 7 -7.349 -4.672 2.752 1.00 0.00 C ATOM 79 CD PRO A 7 -8.833 -4.453 2.993 1.00 0.00 C ATOM 0 HA PRO A 7 -8.613 -7.573 3.766 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.203 -6.460 3.216 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.392 -6.692 1.950 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.737 -4.137 3.478 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.044 -4.329 1.763 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.009 -3.492 3.476 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.380 -4.441 2.050 1.00 0.00 H new ATOM 87 N HIS A 8 -8.234 -7.472 6.229 1.00 0.00 N ATOM 88 CA HIS A 8 -7.846 -7.755 7.619 1.00 0.00 C ATOM 89 C HIS A 8 -8.320 -6.691 8.631 1.00 0.00 C ATOM 90 O HIS A 8 -8.280 -5.498 8.331 1.00 0.00 O ATOM 91 CB HIS A 8 -6.316 -7.900 7.712 1.00 0.00 C ATOM 92 CG HIS A 8 -5.844 -8.911 8.713 1.00 0.00 C ATOM 93 ND1 HIS A 8 -5.145 -8.616 9.852 1.00 0.00 N ATOM 94 CD2 HIS A 8 -5.963 -10.269 8.639 1.00 0.00 C ATOM 95 CE1 HIS A 8 -4.854 -9.763 10.469 1.00 0.00 C ATOM 96 NE2 HIS A 8 -5.326 -10.808 9.764 1.00 0.00 N ATOM 0 H HIS A 8 -9.008 -8.067 5.934 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.345 -8.685 7.889 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.930 -8.173 6.730 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.887 -6.930 7.965 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.458 -10.826 7.857 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.316 -9.842 11.402 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.237 -11.796 10.002 1.00 0.00 H new ATOM 104 N PRO A 9 -8.698 -7.073 9.869 1.00 0.00 N ATOM 105 CA PRO A 9 -9.199 -6.132 10.873 1.00 0.00 C ATOM 106 C PRO A 9 -8.103 -5.347 11.600 1.00 0.00 C ATOM 107 O PRO A 9 -8.408 -4.306 12.186 1.00 0.00 O ATOM 108 CB PRO A 9 -9.967 -6.988 11.879 1.00 0.00 C ATOM 109 CG PRO A 9 -9.240 -8.328 11.823 1.00 0.00 C ATOM 110 CD PRO A 9 -8.838 -8.441 10.355 1.00 0.00 C ATOM 0 HA PRO A 9 -9.809 -5.374 10.382 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.939 -6.556 12.879 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.017 -7.088 11.604 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.371 -8.343 12.481 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.886 -9.151 12.129 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.903 -8.991 10.248 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.593 -8.982 9.785 1.00 0.00 H new ATOM 118 N GLN A 10 -6.853 -5.826 11.606 1.00 0.00 N ATOM 119 CA GLN A 10 -5.757 -5.029 12.142 1.00 0.00 C ATOM 120 C GLN A 10 -5.304 -3.952 11.146 1.00 0.00 C ATOM 121 O GLN A 10 -4.603 -3.039 11.582 1.00 0.00 O ATOM 122 CB GLN A 10 -4.562 -5.902 12.583 1.00 0.00 C ATOM 123 CG GLN A 10 -4.630 -6.417 14.029 1.00 0.00 C ATOM 124 CD GLN A 10 -3.270 -6.486 14.738 1.00 0.00 C ATOM 125 OE1 GLN A 10 -3.165 -6.244 15.939 1.00 0.00 O ATOM 126 NE2 GLN A 10 -2.187 -6.828 14.059 1.00 0.00 N ATOM 0 H GLN A 10 -6.584 -6.744 11.252 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.142 -4.530 13.031 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.490 -6.758 11.912 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.646 -5.324 12.462 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.293 -5.770 14.602 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.077 -7.411 14.028 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.254 -7.033 13.062 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.286 -6.887 14.533 1.00 0.00 H new ATOM 135 N LEU A 11 -5.610 -4.036 9.842 1.00 0.00 N ATOM 136 CA LEU A 11 -5.087 -3.076 8.863 1.00 0.00 C ATOM 137 C LEU A 11 -5.548 -1.656 9.194 1.00 0.00 C ATOM 138 O LEU A 11 -6.750 -1.419 9.330 1.00 0.00 O ATOM 139 CB LEU A 11 -5.512 -3.488 7.447 1.00 0.00 C ATOM 140 CG LEU A 11 -5.063 -2.474 6.368 1.00 0.00 C ATOM 141 CD1 LEU A 11 -4.319 -3.181 5.237 1.00 0.00 C ATOM 142 CD2 LEU A 11 -6.254 -1.700 5.797 1.00 0.00 C ATOM 0 H LEU A 11 -6.214 -4.756 9.445 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.998 -3.083 8.909 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.092 -4.467 7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.597 -3.591 7.414 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.390 -1.765 6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.013 -2.449 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.437 -3.681 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.975 -3.918 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.903 -0.997 5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.958 -2.398 5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.751 -1.154 6.599 1.00 0.00 H new ATOM 154 N ILE A 12 -4.603 -0.715 9.293 1.00 0.00 N ATOM 155 CA ILE A 12 -4.892 0.688 9.580 1.00 0.00 C ATOM 156 C ILE A 12 -4.564 1.484 8.323 1.00 0.00 C ATOM 157 O ILE A 12 -3.418 1.486 7.879 1.00 0.00 O ATOM 158 CB ILE A 12 -4.102 1.177 10.817 1.00 0.00 C ATOM 159 CG1 ILE A 12 -4.295 0.287 12.064 1.00 0.00 C ATOM 160 CG2 ILE A 12 -4.466 2.631 11.158 1.00 0.00 C ATOM 161 CD1 ILE A 12 -5.735 0.099 12.557 1.00 0.00 C ATOM 0 H ILE A 12 -3.609 -0.911 9.175 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.943 0.827 9.833 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.050 1.113 10.540 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.877 -0.697 11.849 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.708 0.711 12.879 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.898 2.953 12.031 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.226 3.274 10.311 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.532 2.698 11.374 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.737 -0.545 13.437 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.160 1.069 12.816 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.332 -0.361 11.769 1.00 0.00 H new ATOM 173 N TRP A 13 -5.567 2.148 7.747 1.00 0.00 N ATOM 174 CA TRP A 13 -5.377 3.061 6.626 1.00 0.00 C ATOM 175 C TRP A 13 -4.527 4.263 7.051 1.00 0.00 C ATOM 176 O TRP A 13 -4.615 4.666 8.217 1.00 0.00 O ATOM 177 CB TRP A 13 -6.741 3.536 6.118 1.00 0.00 C ATOM 178 CG TRP A 13 -7.676 2.422 5.801 1.00 0.00 C ATOM 179 CD1 TRP A 13 -8.627 1.932 6.623 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.694 1.585 4.614 1.00 0.00 C ATOM 181 NE1 TRP A 13 -9.225 0.842 6.034 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.659 0.555 4.811 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.976 1.589 3.401 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.870 -0.456 3.865 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -7.185 0.580 2.443 1.00 0.00 C ATOM 186 CH2 TRP A 13 -8.113 -0.451 2.686 1.00 0.00 C ATOM 0 H TRP A 13 -6.538 2.065 8.049 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.855 2.536 5.826 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.197 4.179 6.871 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.596 4.144 5.225 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -8.880 2.333 7.593 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.991 0.313 6.450 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.260 2.373 3.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -9.605 -1.228 4.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.631 0.596 1.516 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -8.242 -1.241 1.961 1.00 0.00 H new ATOM 197 N PRO A 14 -3.797 4.894 6.119 1.00 0.00 N ATOM 198 CA PRO A 14 -3.726 4.504 4.716 1.00 0.00 C ATOM 199 C PRO A 14 -2.972 3.196 4.479 1.00 0.00 C ATOM 200 O PRO A 14 -2.192 2.761 5.328 1.00 0.00 O ATOM 201 CB PRO A 14 -3.024 5.644 4.010 1.00 0.00 C ATOM 202 CG PRO A 14 -2.235 6.366 5.101 1.00 0.00 C ATOM 203 CD PRO A 14 -3.080 6.135 6.344 1.00 0.00 C ATOM 0 HA PRO A 14 -4.732 4.321 4.339 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.364 5.274 3.226 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.741 6.313 3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.232 5.955 5.213 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.122 7.428 4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.454 6.067 7.234 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.772 6.962 6.504 1.00 0.00 H new ATOM 211 N ALA A 15 -3.218 2.586 3.318 1.00 0.00 N ATOM 212 CA ALA A 15 -2.509 1.402 2.855 1.00 0.00 C ATOM 213 C ALA A 15 -1.803 1.708 1.539 1.00 0.00 C ATOM 214 O ALA A 15 -2.044 2.735 0.898 1.00 0.00 O ATOM 215 CB ALA A 15 -3.451 0.194 2.711 1.00 0.00 C ATOM 0 H ALA A 15 -3.930 2.911 2.664 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.764 1.134 3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.884 -0.670 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.902 -0.033 3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.235 0.428 1.990 1.00 0.00 H new ATOM 221 N LEU A 16 -0.932 0.780 1.152 1.00 0.00 N ATOM 222 CA LEU A 16 -0.107 0.804 -0.040 1.00 0.00 C ATOM 223 C LEU A 16 -0.087 -0.614 -0.600 1.00 0.00 C ATOM 224 O LEU A 16 0.734 -1.458 -0.219 1.00 0.00 O ATOM 225 CB LEU A 16 1.303 1.338 0.278 1.00 0.00 C ATOM 226 CG LEU A 16 1.407 2.875 0.225 1.00 0.00 C ATOM 227 CD1 LEU A 16 2.732 3.346 0.838 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.346 3.384 -1.220 1.00 0.00 C ATOM 0 H LEU A 16 -0.778 -0.064 1.704 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.514 1.484 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.597 0.996 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.013 0.909 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 16 0.565 3.274 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.788 4.434 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.787 3.024 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.564 2.916 0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.422 4.471 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.172 2.959 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.401 3.083 -1.672 1.00 0.00 H new ATOM 240 N LEU A 17 -1.032 -0.890 -1.495 1.00 0.00 N ATOM 241 CA LEU A 17 -0.925 -2.010 -2.423 1.00 0.00 C ATOM 242 C LEU A 17 0.209 -1.659 -3.388 1.00 0.00 C ATOM 243 O LEU A 17 0.379 -0.485 -3.728 1.00 0.00 O ATOM 244 CB LEU A 17 -2.279 -2.161 -3.139 1.00 0.00 C ATOM 245 CG LEU A 17 -2.379 -3.285 -4.190 1.00 0.00 C ATOM 246 CD1 LEU A 17 -2.452 -4.670 -3.543 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.647 -3.088 -5.025 1.00 0.00 C ATOM 0 H LEU A 17 -1.889 -0.346 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.701 -2.960 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.047 -2.330 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.514 -1.215 -3.627 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.482 -3.233 -4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.521 -5.431 -4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.556 -4.841 -2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.331 -4.726 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.720 -3.881 -5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.520 -3.120 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.605 -2.122 -5.528 1.00 0.00 H new ATOM 259 N LYS A 18 0.995 -2.636 -3.842 1.00 0.00 N ATOM 260 CA LYS A 18 1.904 -2.419 -4.960 1.00 0.00 C ATOM 261 C LYS A 18 1.861 -3.721 -5.715 1.00 0.00 C ATOM 262 O LYS A 18 2.527 -4.657 -5.269 1.00 0.00 O ATOM 263 CB LYS A 18 3.314 -2.039 -4.464 1.00 0.00 C ATOM 264 CG LYS A 18 4.118 -1.279 -5.514 1.00 0.00 C ATOM 265 CD LYS A 18 4.546 -2.105 -6.727 1.00 0.00 C ATOM 266 CE LYS A 18 5.341 -3.355 -6.356 1.00 0.00 C ATOM 267 NZ LYS A 18 6.541 -3.054 -5.553 1.00 0.00 N ATOM 0 H LYS A 18 1.018 -3.579 -3.453 1.00 0.00 H new ATOM 0 HA LYS A 18 1.619 -1.584 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.227 -1.428 -3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.853 -2.944 -4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.525 -0.433 -5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.010 -0.870 -5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.659 -2.400 -7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.149 -1.482 -7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.698 -4.036 -5.798 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.640 -3.873 -7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.287 -3.745 -5.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.879 -2.097 -5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.304 -3.108 -4.542 1.00 0.00 H new ATOM 281 N GLN A 19 1.026 -3.809 -6.750 1.00 0.00 N ATOM 282 CA GLN A 19 0.735 -5.096 -7.351 1.00 0.00 C ATOM 283 C GLN A 19 2.027 -5.776 -7.764 1.00 0.00 C ATOM 284 O GLN A 19 2.912 -5.120 -8.320 1.00 0.00 O ATOM 285 CB GLN A 19 -0.156 -4.946 -8.582 1.00 0.00 C ATOM 286 CG GLN A 19 -1.626 -4.700 -8.243 1.00 0.00 C ATOM 287 CD GLN A 19 -2.482 -5.435 -9.263 1.00 0.00 C ATOM 288 OE1 GLN A 19 -2.666 -4.985 -10.393 1.00 0.00 O ATOM 289 NE2 GLN A 19 -2.953 -6.618 -8.923 1.00 0.00 N ATOM 0 H GLN A 19 0.550 -3.015 -7.179 1.00 0.00 H new ATOM 0 HA GLN A 19 0.211 -5.697 -6.608 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.212 -4.119 -9.189 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.077 -5.847 -9.190 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.848 -5.054 -7.236 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.846 -3.633 -8.261 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.793 -6.979 -7.983 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.477 -7.172 -9.600 1.00 0.00 H new ATOM 298 N GLN A 20 2.144 -7.079 -7.510 1.00 0.00 N ATOM 299 CA GLN A 20 3.308 -7.799 -7.962 1.00 0.00 C ATOM 300 C GLN A 20 3.369 -7.741 -9.486 1.00 0.00 C ATOM 301 O GLN A 20 2.363 -7.865 -10.196 1.00 0.00 O ATOM 302 CB GLN A 20 3.305 -9.214 -7.365 1.00 0.00 C ATOM 303 CG GLN A 20 4.457 -9.409 -6.369 1.00 0.00 C ATOM 304 CD GLN A 20 4.648 -8.259 -5.387 1.00 0.00 C ATOM 305 OE1 GLN A 20 5.609 -7.502 -5.471 1.00 0.00 O ATOM 306 NE2 GLN A 20 3.745 -8.089 -4.449 1.00 0.00 N ATOM 0 H GLN A 20 1.457 -7.638 -7.004 1.00 0.00 H new ATOM 0 HA GLN A 20 4.230 -7.339 -7.607 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.355 -9.396 -6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.388 -9.948 -8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.281 -10.325 -5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.383 -9.550 -6.927 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.949 -8.723 -4.387 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.840 -7.322 -3.783 1.00 0.00 H new ATOM 315 N GLY A 21 4.572 -7.451 -9.961 1.00 0.00 N ATOM 316 CA GLY A 21 4.906 -7.187 -11.348 1.00 0.00 C ATOM 317 C GLY A 21 4.966 -5.689 -11.632 1.00 0.00 C ATOM 318 O GLY A 21 5.930 -5.223 -12.235 1.00 0.00 O ATOM 0 H GLY A 21 5.387 -7.391 -9.350 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.868 -7.642 -11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.164 -7.652 -11.997 1.00 0.00 H new ATOM 322 N CYS A 22 3.981 -4.917 -11.163 1.00 0.00 N ATOM 323 CA CYS A 22 4.003 -3.470 -11.289 1.00 0.00 C ATOM 324 C CYS A 22 5.107 -2.886 -10.409 1.00 0.00 C ATOM 325 O CYS A 22 5.626 -3.537 -9.500 1.00 0.00 O ATOM 326 CB CYS A 22 2.641 -2.896 -10.877 1.00 0.00 C ATOM 327 SG CYS A 22 1.321 -3.608 -11.896 1.00 0.00 S ATOM 0 H CYS A 22 3.154 -5.282 -10.690 1.00 0.00 H new ATOM 0 HA CYS A 22 4.204 -3.203 -12.327 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.452 -3.110 -9.825 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.648 -1.811 -10.986 1.00 0.00 H new ATOM 0 HG CYS A 22 0.176 -3.112 -11.531 1.00 0.00 H new ATOM 333 N ASN A 23 5.430 -1.621 -10.653 1.00 0.00 N ATOM 334 CA ASN A 23 6.361 -0.817 -9.863 1.00 0.00 C ATOM 335 C ASN A 23 5.586 0.344 -9.246 1.00 0.00 C ATOM 336 O ASN A 23 5.937 0.830 -8.176 1.00 0.00 O ATOM 337 CB ASN A 23 7.493 -0.231 -10.739 1.00 0.00 C ATOM 338 CG ASN A 23 7.989 -1.163 -11.827 1.00 0.00 C ATOM 339 OD1 ASN A 23 8.989 -1.860 -11.666 1.00 0.00 O ATOM 340 ND2 ASN A 23 7.289 -1.219 -12.946 1.00 0.00 N ATOM 0 H ASN A 23 5.035 -1.104 -11.439 1.00 0.00 H new ATOM 0 HA ASN A 23 6.808 -1.456 -9.102 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.139 0.691 -11.201 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.332 0.037 -10.096 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.575 -1.849 -13.696 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.462 -0.633 -13.060 1.00 0.00 H new ATOM 347 N GLU A 24 4.531 0.776 -9.933 1.00 0.00 N ATOM 348 CA GLU A 24 3.563 1.774 -9.525 1.00 0.00 C ATOM 349 C GLU A 24 2.779 1.268 -8.310 1.00 0.00 C ATOM 350 O GLU A 24 2.501 0.071 -8.184 1.00 0.00 O ATOM 351 CB GLU A 24 2.669 2.003 -10.748 1.00 0.00 C ATOM 352 CG GLU A 24 1.916 3.335 -10.779 1.00 0.00 C ATOM 353 CD GLU A 24 1.396 3.651 -12.191 1.00 0.00 C ATOM 354 OE1 GLU A 24 1.260 2.730 -13.029 1.00 0.00 O ATOM 355 OE2 GLU A 24 1.281 4.854 -12.528 1.00 0.00 O ATOM 0 H GLU A 24 4.321 0.405 -10.859 1.00 0.00 H new ATOM 0 HA GLU A 24 4.024 2.712 -9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.286 1.934 -11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.941 1.194 -10.800 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.080 3.298 -10.081 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.576 4.136 -10.445 1.00 0.00 H new ATOM 362 N LEU A 25 2.426 2.179 -7.409 1.00 0.00 N ATOM 363 CA LEU A 25 1.747 1.914 -6.147 1.00 0.00 C ATOM 364 C LEU A 25 0.254 2.211 -6.280 1.00 0.00 C ATOM 365 O LEU A 25 -0.159 3.032 -7.109 1.00 0.00 O ATOM 366 CB LEU A 25 2.305 2.816 -5.022 1.00 0.00 C ATOM 367 CG LEU A 25 3.812 3.128 -5.003 1.00 0.00 C ATOM 368 CD1 LEU A 25 4.153 3.943 -3.764 1.00 0.00 C ATOM 369 CD2 LEU A 25 4.750 1.922 -5.023 1.00 0.00 C ATOM 0 H LEU A 25 2.616 3.172 -7.547 1.00 0.00 H new ATOM 0 HA LEU A 25 1.911 0.865 -5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.772 3.766 -5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.052 2.351 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 25 3.979 3.667 -5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.221 4.162 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.592 4.877 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.891 3.375 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.784 2.265 -5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.561 1.299 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.575 1.340 -5.928 1.00 0.00 H new ATOM 381 N LEU A 26 -0.525 1.659 -5.352 1.00 0.00 N ATOM 382 CA LEU A 26 -1.903 2.035 -5.083 1.00 0.00 C ATOM 383 C LEU A 26 -1.982 2.626 -3.674 1.00 0.00 C ATOM 384 O LEU A 26 -2.178 1.881 -2.708 1.00 0.00 O ATOM 385 CB LEU A 26 -2.885 0.873 -5.333 1.00 0.00 C ATOM 386 CG LEU A 26 -3.929 1.184 -6.416 1.00 0.00 C ATOM 387 CD1 LEU A 26 -4.833 2.370 -6.039 1.00 0.00 C ATOM 388 CD2 LEU A 26 -3.250 1.421 -7.768 1.00 0.00 C ATOM 0 H LEU A 26 -0.196 0.908 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.222 2.804 -5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.322 -0.013 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.398 0.633 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.576 0.310 -6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.553 2.548 -6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.365 2.143 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.223 3.262 -5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.006 1.640 -8.522 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.564 2.264 -7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.696 0.528 -8.058 1.00 0.00 H new ATOM 400 N PRO A 27 -1.725 3.938 -3.516 1.00 0.00 N ATOM 401 CA PRO A 27 -2.007 4.633 -2.272 1.00 0.00 C ATOM 402 C PRO A 27 -3.516 4.652 -2.060 1.00 0.00 C ATOM 403 O PRO A 27 -4.272 4.935 -2.992 1.00 0.00 O ATOM 404 CB PRO A 27 -1.430 6.040 -2.455 1.00 0.00 C ATOM 405 CG PRO A 27 -1.471 6.280 -3.958 1.00 0.00 C ATOM 406 CD PRO A 27 -1.329 4.884 -4.556 1.00 0.00 C ATOM 0 HA PRO A 27 -1.567 4.158 -1.395 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.020 6.783 -1.919 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.412 6.104 -2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.405 6.752 -4.262 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.663 6.937 -4.280 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.960 4.775 -5.438 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.302 4.702 -4.874 1.00 0.00 H new ATOM 414 N LEU A 28 -3.962 4.358 -0.841 1.00 0.00 N ATOM 415 CA LEU A 28 -5.373 4.271 -0.480 1.00 0.00 C ATOM 416 C LEU A 28 -5.526 5.030 0.824 1.00 0.00 C ATOM 417 O LEU A 28 -5.134 4.511 1.872 1.00 0.00 O ATOM 418 CB LEU A 28 -5.792 2.802 -0.336 1.00 0.00 C ATOM 419 CG LEU A 28 -5.822 2.054 -1.687 1.00 0.00 C ATOM 420 CD1 LEU A 28 -5.446 0.589 -1.470 1.00 0.00 C ATOM 421 CD2 LEU A 28 -7.194 2.177 -2.361 1.00 0.00 C ATOM 0 H LEU A 28 -3.336 4.169 -0.058 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.017 4.702 -1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.102 2.296 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.779 2.754 0.123 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.093 2.511 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.468 0.063 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.444 0.530 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.158 0.128 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.183 1.640 -3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.958 1.750 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.418 3.228 -2.542 1.00 0.00 H new ATOM 433 N ARG A 29 -6.013 6.277 0.756 1.00 0.00 N ATOM 434 CA ARG A 29 -5.977 7.204 1.891 1.00 0.00 C ATOM 435 C ARG A 29 -6.723 6.634 3.091 1.00 0.00 C ATOM 436 O ARG A 29 -6.234 6.666 4.216 1.00 0.00 O ATOM 437 CB ARG A 29 -6.575 8.584 1.556 1.00 0.00 C ATOM 438 CG ARG A 29 -6.125 9.213 0.231 1.00 0.00 C ATOM 439 CD ARG A 29 -6.473 10.700 0.245 1.00 0.00 C ATOM 440 NE ARG A 29 -6.380 11.324 -1.087 1.00 0.00 N ATOM 441 CZ ARG A 29 -6.848 12.546 -1.371 1.00 0.00 C ATOM 442 NH1 ARG A 29 -7.399 13.271 -0.401 1.00 0.00 N ATOM 443 NH2 ARG A 29 -6.785 13.043 -2.604 1.00 0.00 N ATOM 0 H ARG A 29 -6.440 6.668 -0.084 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.921 7.334 2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.661 8.492 1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.325 9.271 2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.052 9.078 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.617 8.719 -0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.485 10.827 0.630 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.803 11.218 0.931 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.933 10.794 -1.836 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.461 12.894 0.545 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.760 14.203 -0.603 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.374 12.490 -3.356 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.148 13.977 -2.797 1.00 0.00 H new ATOM 457 N THR A 30 -7.927 6.123 2.855 1.00 0.00 N ATOM 458 CA THR A 30 -8.836 5.680 3.895 1.00 0.00 C ATOM 459 C THR A 30 -9.544 4.424 3.412 1.00 0.00 C ATOM 460 O THR A 30 -9.426 4.039 2.241 1.00 0.00 O ATOM 461 CB THR A 30 -9.839 6.798 4.244 1.00 0.00 C ATOM 462 OG1 THR A 30 -10.571 7.219 3.106 1.00 0.00 O ATOM 463 CG2 THR A 30 -9.155 8.007 4.870 1.00 0.00 C ATOM 0 H THR A 30 -8.302 6.005 1.914 1.00 0.00 H new ATOM 0 HA THR A 30 -8.284 5.450 4.806 1.00 0.00 H new ATOM 0 HB THR A 30 -10.526 6.367 4.973 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.198 7.927 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.900 8.769 5.099 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.651 7.705 5.788 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.424 8.414 4.171 1.00 0.00 H new ATOM 471 N ASN A 31 -10.363 3.831 4.286 1.00 0.00 N ATOM 472 CA ASN A 31 -11.303 2.808 3.859 1.00 0.00 C ATOM 473 C ASN A 31 -12.174 3.327 2.719 1.00 0.00 C ATOM 474 O ASN A 31 -12.461 2.575 1.800 1.00 0.00 O ATOM 475 CB ASN A 31 -12.195 2.346 5.022 1.00 0.00 C ATOM 476 CG ASN A 31 -13.224 1.296 4.606 1.00 0.00 C ATOM 477 OD1 ASN A 31 -12.880 0.424 3.679 1.00 0.00 O flip ATOM 478 ND2 ASN A 31 -14.333 1.243 5.132 1.00 0.00 N flip ATOM 0 H ASN A 31 -10.389 4.044 5.283 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.723 1.954 3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.567 1.937 5.814 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.713 3.209 5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.591 1.922 5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.996 0.520 4.852 1.00 0.00 H new ATOM 485 N ASP A 32 -12.557 4.603 2.731 1.00 0.00 N ATOM 486 CA ASP A 32 -13.481 5.157 1.746 1.00 0.00 C ATOM 487 C ASP A 32 -12.893 5.210 0.328 1.00 0.00 C ATOM 488 O ASP A 32 -13.630 5.348 -0.646 1.00 0.00 O ATOM 489 CB ASP A 32 -13.962 6.531 2.214 1.00 0.00 C ATOM 490 CG ASP A 32 -15.322 6.830 1.595 1.00 0.00 C ATOM 491 OD1 ASP A 32 -16.282 6.104 1.942 1.00 0.00 O ATOM 492 OD2 ASP A 32 -15.431 7.797 0.808 1.00 0.00 O ATOM 0 H ASP A 32 -12.235 5.280 3.423 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.335 4.483 1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.033 6.553 3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.243 7.298 1.926 1.00 0.00 H new ATOM 497 N ASP A 33 -11.570 5.094 0.195 1.00 0.00 N ATOM 498 CA ASP A 33 -10.878 4.946 -1.088 1.00 0.00 C ATOM 499 C ASP A 33 -10.948 3.484 -1.546 1.00 0.00 C ATOM 500 O ASP A 33 -11.259 3.185 -2.700 1.00 0.00 O ATOM 501 CB ASP A 33 -9.412 5.383 -0.907 1.00 0.00 C ATOM 502 CG ASP A 33 -8.676 5.742 -2.197 1.00 0.00 C ATOM 503 OD1 ASP A 33 -9.136 5.449 -3.324 1.00 0.00 O ATOM 504 OD2 ASP A 33 -7.590 6.348 -2.059 1.00 0.00 O ATOM 0 H ASP A 33 -10.936 5.100 0.994 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.352 5.568 -1.847 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.386 6.245 -0.241 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.869 4.580 -0.409 1.00 0.00 H new ATOM 509 N TRP A 34 -10.714 2.548 -0.622 1.00 0.00 N ATOM 510 CA TRP A 34 -10.804 1.113 -0.869 1.00 0.00 C ATOM 511 C TRP A 34 -12.235 0.680 -1.204 1.00 0.00 C ATOM 512 O TRP A 34 -12.432 -0.172 -2.069 1.00 0.00 O ATOM 513 CB TRP A 34 -10.309 0.374 0.369 1.00 0.00 C ATOM 514 CG TRP A 34 -10.341 -1.110 0.254 1.00 0.00 C ATOM 515 CD1 TRP A 34 -11.233 -1.952 0.821 1.00 0.00 C ATOM 516 CD2 TRP A 34 -9.424 -1.945 -0.494 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.917 -3.254 0.488 1.00 0.00 N ATOM 518 CE2 TRP A 34 -9.784 -3.308 -0.298 1.00 0.00 C ATOM 519 CE3 TRP A 34 -8.310 -1.664 -1.305 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -9.029 -4.353 -0.847 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -7.545 -2.698 -1.861 1.00 0.00 C ATOM 522 CH2 TRP A 34 -7.899 -4.035 -1.623 1.00 0.00 C ATOM 0 H TRP A 34 -10.452 2.775 0.337 1.00 0.00 H new ATOM 0 HA TRP A 34 -10.185 0.868 -1.732 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.287 0.688 0.580 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -10.917 0.673 1.223 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -12.066 -1.652 1.440 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.452 -4.070 0.785 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -8.040 -0.637 -1.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.309 -5.382 -0.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.685 -2.467 -2.471 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -7.297 -4.829 -2.040 1.00 0.00 H new ATOM 533 N GLN A 35 -13.231 1.279 -0.544 1.00 0.00 N ATOM 534 CA GLN A 35 -14.648 1.022 -0.770 1.00 0.00 C ATOM 535 C GLN A 35 -14.952 1.180 -2.257 1.00 0.00 C ATOM 536 O GLN A 35 -15.559 0.298 -2.853 1.00 0.00 O ATOM 537 CB GLN A 35 -15.507 1.992 0.063 1.00 0.00 C ATOM 538 CG GLN A 35 -15.428 1.737 1.575 1.00 0.00 C ATOM 539 CD GLN A 35 -16.646 1.021 2.131 1.00 0.00 C ATOM 540 OE1 GLN A 35 -16.682 -0.202 2.223 1.00 0.00 O ATOM 541 NE2 GLN A 35 -17.661 1.752 2.546 1.00 0.00 N ATOM 0 H GLN A 35 -13.064 1.975 0.182 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.888 0.005 -0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.189 3.014 -0.142 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -16.546 1.911 -0.257 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.538 1.145 1.790 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.309 2.690 2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.624 2.768 2.466 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.484 1.302 2.947 1.00 0.00 H new ATOM 550 N ARG A 36 -14.492 2.282 -2.854 1.00 0.00 N ATOM 551 CA ARG A 36 -14.675 2.604 -4.268 1.00 0.00 C ATOM 552 C ARG A 36 -14.022 1.575 -5.183 1.00 0.00 C ATOM 553 O ARG A 36 -14.538 1.334 -6.270 1.00 0.00 O ATOM 554 CB ARG A 36 -14.114 4.015 -4.517 1.00 0.00 C ATOM 555 CG ARG A 36 -15.104 5.056 -3.984 1.00 0.00 C ATOM 556 CD ARG A 36 -14.445 6.395 -3.628 1.00 0.00 C ATOM 557 NE ARG A 36 -14.074 7.189 -4.815 1.00 0.00 N ATOM 558 CZ ARG A 36 -14.902 7.963 -5.530 1.00 0.00 C ATOM 559 NH1 ARG A 36 -16.210 7.948 -5.301 1.00 0.00 N ATOM 560 NH2 ARG A 36 -14.423 8.763 -6.474 1.00 0.00 N ATOM 0 H ARG A 36 -13.966 2.996 -2.350 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.739 2.579 -4.506 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.149 4.128 -4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.946 4.169 -5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.878 5.228 -4.732 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.599 4.656 -3.099 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.128 6.976 -3.008 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.553 6.207 -3.030 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.101 7.145 -5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.594 7.343 -4.575 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.831 8.541 -5.851 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.420 8.791 -6.658 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.058 9.350 -7.015 1.00 0.00 H new ATOM 574 N PHE A 37 -12.921 0.962 -4.760 1.00 0.00 N ATOM 575 CA PHE A 37 -12.195 -0.012 -5.557 1.00 0.00 C ATOM 576 C PHE A 37 -12.974 -1.330 -5.602 1.00 0.00 C ATOM 577 O PHE A 37 -13.273 -1.846 -6.672 1.00 0.00 O ATOM 578 CB PHE A 37 -10.789 -0.157 -4.937 1.00 0.00 C ATOM 579 CG PHE A 37 -9.755 -0.877 -5.771 1.00 0.00 C ATOM 580 CD1 PHE A 37 -9.851 -2.269 -5.943 1.00 0.00 C ATOM 581 CD2 PHE A 37 -8.659 -0.176 -6.312 1.00 0.00 C ATOM 582 CE1 PHE A 37 -8.883 -2.958 -6.688 1.00 0.00 C ATOM 583 CE2 PHE A 37 -7.688 -0.865 -7.059 1.00 0.00 C ATOM 584 CZ PHE A 37 -7.809 -2.251 -7.255 1.00 0.00 C ATOM 0 H PHE A 37 -12.506 1.132 -3.844 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.085 0.308 -6.593 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -10.411 0.840 -4.712 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -10.888 -0.683 -3.987 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -10.674 -2.810 -5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -8.565 0.888 -6.153 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.963 -4.026 -6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.850 -0.330 -7.482 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.072 -2.776 -7.845 1.00 0.00 H new ATOM 594 N CYS A 38 -13.321 -1.883 -4.438 1.00 0.00 N ATOM 595 CA CYS A 38 -14.131 -3.097 -4.329 1.00 0.00 C ATOM 596 C CYS A 38 -15.565 -2.891 -4.852 1.00 0.00 C ATOM 597 O CYS A 38 -16.225 -3.873 -5.212 1.00 0.00 O ATOM 598 CB CYS A 38 -14.144 -3.515 -2.850 1.00 0.00 C ATOM 599 SG CYS A 38 -14.850 -5.172 -2.637 1.00 0.00 S ATOM 0 H CYS A 38 -13.044 -1.496 -3.536 1.00 0.00 H new ATOM 0 HA CYS A 38 -13.694 -3.879 -4.949 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.128 -3.498 -2.456 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -14.722 -2.794 -2.272 1.00 0.00 H new ATOM 0 HG CYS A 38 -15.707 -5.404 -3.587 1.00 0.00 H new ATOM 605 N ALA A 39 -16.067 -1.652 -4.867 1.00 0.00 N ATOM 606 CA ALA A 39 -17.338 -1.288 -5.475 1.00 0.00 C ATOM 607 C ALA A 39 -17.251 -1.434 -6.997 1.00 0.00 C ATOM 608 O ALA A 39 -18.151 -2.006 -7.613 1.00 0.00 O ATOM 609 CB ALA A 39 -17.713 0.153 -5.080 1.00 0.00 C ATOM 0 H ALA A 39 -15.584 -0.859 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 39 -18.118 -1.958 -5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.665 0.420 -5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -17.800 0.222 -3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.939 0.838 -5.426 1.00 0.00 H new ATOM 615 N ASP A 40 -16.180 -0.918 -7.600 1.00 0.00 N ATOM 616 CA ASP A 40 -16.154 -0.555 -9.010 1.00 0.00 C ATOM 617 C ASP A 40 -15.180 -1.426 -9.785 1.00 0.00 C ATOM 618 O ASP A 40 -14.100 -0.997 -10.201 1.00 0.00 O ATOM 619 CB ASP A 40 -15.803 0.917 -9.142 1.00 0.00 C ATOM 620 CG ASP A 40 -16.033 1.443 -10.558 1.00 0.00 C ATOM 621 OD1 ASP A 40 -17.009 1.030 -11.223 1.00 0.00 O ATOM 622 OD2 ASP A 40 -15.251 2.326 -10.981 1.00 0.00 O ATOM 0 H ASP A 40 -15.300 -0.740 -7.116 1.00 0.00 H new ATOM 0 HA ASP A 40 -17.142 -0.724 -9.439 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.403 1.496 -8.440 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.759 1.065 -8.867 1.00 0.00 H new ATOM 627 N SER A 41 -15.605 -2.669 -9.979 1.00 0.00 N ATOM 628 CA SER A 41 -14.935 -3.712 -10.725 1.00 0.00 C ATOM 629 C SER A 41 -13.695 -4.198 -9.967 1.00 0.00 C ATOM 630 O SER A 41 -12.672 -3.518 -9.905 1.00 0.00 O ATOM 631 CB SER A 41 -14.656 -3.275 -12.170 1.00 0.00 C ATOM 632 OG SER A 41 -15.835 -2.883 -12.852 1.00 0.00 O ATOM 0 H SER A 41 -16.491 -2.991 -9.589 1.00 0.00 H new ATOM 0 HA SER A 41 -15.596 -4.574 -10.811 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.949 -2.446 -12.166 1.00 0.00 H new ATOM 0 HB3 SER A 41 -14.183 -4.095 -12.710 1.00 0.00 H new ATOM 0 HG SER A 41 -15.609 -2.612 -13.766 1.00 0.00 H new ATOM 638 N LYS A 42 -13.786 -5.410 -9.408 1.00 0.00 N ATOM 639 CA LYS A 42 -12.813 -6.061 -8.519 1.00 0.00 C ATOM 640 C LYS A 42 -11.346 -6.047 -8.968 1.00 0.00 C ATOM 641 O LYS A 42 -10.477 -6.232 -8.115 1.00 0.00 O ATOM 642 CB LYS A 42 -13.261 -7.508 -8.270 1.00 0.00 C ATOM 643 CG LYS A 42 -13.339 -8.328 -9.582 1.00 0.00 C ATOM 644 CD LYS A 42 -12.500 -9.619 -9.528 1.00 0.00 C ATOM 645 CE LYS A 42 -11.996 -10.065 -10.908 1.00 0.00 C ATOM 646 NZ LYS A 42 -12.981 -10.830 -11.692 1.00 0.00 N ATOM 0 H LYS A 42 -14.598 -6.005 -9.576 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.816 -5.456 -7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.565 -7.989 -7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.237 -7.506 -7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.379 -8.584 -9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.995 -7.711 -10.412 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.646 -9.464 -8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.100 -10.417 -9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.701 -9.183 -11.477 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.101 -10.674 -10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.566 -11.094 -12.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.246 -11.690 -11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.827 -10.247 -11.850 1.00 0.00 H new ATOM 660 N HIS A 43 -11.061 -5.793 -10.243 1.00 0.00 N ATOM 661 CA HIS A 43 -9.747 -5.436 -10.758 1.00 0.00 C ATOM 662 C HIS A 43 -8.778 -6.610 -10.812 1.00 0.00 C ATOM 663 O HIS A 43 -9.173 -7.783 -10.775 1.00 0.00 O ATOM 664 CB HIS A 43 -9.211 -4.175 -10.046 1.00 0.00 C ATOM 665 CG HIS A 43 -8.796 -3.079 -10.990 1.00 0.00 C ATOM 666 ND1 HIS A 43 -8.006 -3.197 -12.106 1.00 0.00 N flip ATOM 667 CD2 HIS A 43 -9.146 -1.757 -10.855 1.00 0.00 C flip ATOM 668 CE1 HIS A 43 -7.842 -1.910 -12.635 1.00 0.00 C flip ATOM 669 NE2 HIS A 43 -8.536 -1.079 -11.833 1.00 0.00 N flip ATOM 0 H HIS A 43 -11.771 -5.833 -10.974 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.856 -5.167 -11.809 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -9.980 -3.793 -9.375 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.357 -4.453 -9.428 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.795 -1.342 -10.098 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.272 -1.638 -13.511 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -8.589 -0.068 -11.955 1.00 0.00 H new ATOM 677 N LEU A 44 -7.512 -6.292 -11.078 1.00 0.00 N ATOM 678 CA LEU A 44 -6.447 -7.264 -11.048 1.00 0.00 C ATOM 679 C LEU A 44 -6.235 -7.636 -9.600 1.00 0.00 C ATOM 680 O LEU A 44 -5.983 -6.758 -8.781 1.00 0.00 O ATOM 681 CB LEU A 44 -5.164 -6.716 -11.674 1.00 0.00 C ATOM 682 CG LEU A 44 -4.943 -7.296 -13.071 1.00 0.00 C ATOM 683 CD1 LEU A 44 -3.694 -6.648 -13.635 1.00 0.00 C ATOM 684 CD2 LEU A 44 -4.753 -8.816 -13.007 1.00 0.00 C ATOM 0 H LEU A 44 -7.207 -5.349 -11.319 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.716 -8.140 -11.638 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.220 -5.629 -11.733 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.313 -6.958 -11.037 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.810 -7.097 -13.701 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.502 -7.037 -14.635 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.836 -5.569 -13.687 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.845 -6.872 -12.989 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.597 -9.206 -14.013 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.885 -9.049 -12.390 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.641 -9.276 -12.573 1.00 0.00 H new ATOM 696 N LEU A 45 -6.334 -8.923 -9.295 1.00 0.00 N ATOM 697 CA LEU A 45 -5.994 -9.465 -7.997 1.00 0.00 C ATOM 698 C LEU A 45 -5.285 -10.771 -8.274 1.00 0.00 C ATOM 699 O LEU A 45 -5.608 -11.473 -9.238 1.00 0.00 O ATOM 700 CB LEU A 45 -7.236 -9.678 -7.113 1.00 0.00 C ATOM 701 CG LEU A 45 -7.986 -8.384 -6.740 1.00 0.00 C ATOM 702 CD1 LEU A 45 -9.294 -8.763 -6.037 1.00 0.00 C ATOM 703 CD2 LEU A 45 -7.162 -7.471 -5.818 1.00 0.00 C ATOM 0 H LEU A 45 -6.659 -9.627 -9.958 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.363 -8.773 -7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.925 -10.345 -7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.931 -10.183 -6.196 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.176 -7.829 -7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.837 -7.858 -5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.906 -9.366 -6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.071 -9.335 -5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.736 -6.574 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.929 -8.001 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.236 -7.189 -6.318 1.00 0.00 H new ATOM 715 N GLN A 46 -4.290 -11.067 -7.459 1.00 0.00 N ATOM 716 CA GLN A 46 -3.382 -12.186 -7.606 1.00 0.00 C ATOM 717 C GLN A 46 -2.838 -12.423 -6.212 1.00 0.00 C ATOM 718 O GLN A 46 -2.424 -11.485 -5.527 1.00 0.00 O ATOM 719 CB GLN A 46 -2.283 -11.888 -8.651 1.00 0.00 C ATOM 720 CG GLN A 46 -1.474 -10.636 -8.298 1.00 0.00 C ATOM 721 CD GLN A 46 -0.515 -10.148 -9.372 1.00 0.00 C ATOM 722 OE1 GLN A 46 0.025 -10.910 -10.164 1.00 0.00 O ATOM 723 NE2 GLN A 46 -0.273 -8.852 -9.423 1.00 0.00 N ATOM 0 H GLN A 46 -4.084 -10.503 -6.634 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.873 -13.081 -7.988 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.612 -12.744 -8.724 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.742 -11.758 -9.631 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.170 -9.830 -8.064 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.903 -10.838 -7.391 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.726 -8.222 -8.761 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.367 -8.480 -10.125 1.00 0.00 H new ATOM 732 N TYR A 47 -2.882 -13.680 -5.767 1.00 0.00 N ATOM 733 CA TYR A 47 -2.299 -14.058 -4.482 1.00 0.00 C ATOM 734 C TYR A 47 -0.829 -13.636 -4.558 1.00 0.00 C ATOM 735 O TYR A 47 -0.176 -13.858 -5.592 1.00 0.00 O ATOM 736 CB TYR A 47 -2.430 -15.572 -4.276 1.00 0.00 C ATOM 737 CG TYR A 47 -3.845 -16.082 -4.460 1.00 0.00 C ATOM 738 CD1 TYR A 47 -4.892 -15.520 -3.716 1.00 0.00 C ATOM 739 CD2 TYR A 47 -4.115 -17.112 -5.391 1.00 0.00 C ATOM 740 CE1 TYR A 47 -6.208 -15.986 -3.889 1.00 0.00 C ATOM 741 CE2 TYR A 47 -5.435 -17.564 -5.583 1.00 0.00 C ATOM 742 CZ TYR A 47 -6.483 -17.001 -4.839 1.00 0.00 C ATOM 743 OH TYR A 47 -7.776 -17.396 -5.029 1.00 0.00 O ATOM 0 H TYR A 47 -3.314 -14.450 -6.277 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.802 -13.579 -3.642 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.772 -16.085 -4.977 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.087 -15.826 -3.273 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.688 -14.729 -3.010 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.307 -17.553 -5.956 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.010 -15.570 -3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.640 -18.343 -6.302 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.807 -18.098 -5.712 1.00 0.00 H new ATOM 753 N GLY A 48 -0.349 -12.969 -3.527 1.00 0.00 N ATOM 754 CA GLY A 48 0.998 -12.431 -3.460 1.00 0.00 C ATOM 755 C GLY A 48 1.117 -10.928 -3.744 1.00 0.00 C ATOM 756 O GLY A 48 2.223 -10.384 -3.640 1.00 0.00 O ATOM 0 H GLY A 48 -0.899 -12.780 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.402 -12.630 -2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.623 -12.970 -4.173 1.00 0.00 H new ATOM 760 N ASP A 49 0.021 -10.215 -4.033 1.00 0.00 N ATOM 761 CA ASP A 49 -0.004 -8.802 -4.442 1.00 0.00 C ATOM 762 C ASP A 49 0.641 -7.822 -3.453 1.00 0.00 C ATOM 763 O ASP A 49 1.064 -6.741 -3.845 1.00 0.00 O ATOM 764 CB ASP A 49 -1.465 -8.374 -4.693 1.00 0.00 C ATOM 765 CG ASP A 49 -1.760 -7.984 -6.134 1.00 0.00 C ATOM 766 OD1 ASP A 49 -0.841 -7.765 -6.942 1.00 0.00 O ATOM 767 OD2 ASP A 49 -2.974 -7.922 -6.456 1.00 0.00 O ATOM 0 H ASP A 49 -0.913 -10.623 -3.987 1.00 0.00 H new ATOM 0 HA ASP A 49 0.602 -8.749 -5.346 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.126 -9.192 -4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.702 -7.531 -4.044 1.00 0.00 H new ATOM 772 N LYS A 50 0.778 -8.249 -2.194 1.00 0.00 N ATOM 773 CA LYS A 50 1.344 -7.567 -1.031 1.00 0.00 C ATOM 774 C LYS A 50 0.590 -6.300 -0.635 1.00 0.00 C ATOM 775 O LYS A 50 0.297 -5.428 -1.453 1.00 0.00 O ATOM 776 CB LYS A 50 2.824 -7.222 -1.221 1.00 0.00 C ATOM 777 CG LYS A 50 3.622 -7.281 0.090 1.00 0.00 C ATOM 778 CD LYS A 50 4.992 -6.608 -0.034 1.00 0.00 C ATOM 779 CE LYS A 50 6.060 -7.459 -0.725 1.00 0.00 C ATOM 780 NZ LYS A 50 7.395 -7.078 -0.221 1.00 0.00 N ATOM 0 H LYS A 50 0.459 -9.184 -1.940 1.00 0.00 H new ATOM 0 HA LYS A 50 1.239 -8.289 -0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.264 -7.913 -1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.908 -6.222 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.052 -6.796 0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.756 -8.322 0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.875 -5.676 -0.587 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.345 -6.345 0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.876 -8.517 -0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.012 -7.315 -1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.121 -7.656 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.569 -6.073 -0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.437 -7.237 0.806 1.00 0.00 H new ATOM 794 N LEU A 51 0.371 -6.136 0.661 1.00 0.00 N ATOM 795 CA LEU A 51 -0.225 -4.942 1.231 1.00 0.00 C ATOM 796 C LEU A 51 0.709 -4.451 2.316 1.00 0.00 C ATOM 797 O LEU A 51 1.428 -5.238 2.930 1.00 0.00 O ATOM 798 CB LEU A 51 -1.618 -5.289 1.771 1.00 0.00 C ATOM 799 CG LEU A 51 -2.660 -4.172 1.665 1.00 0.00 C ATOM 800 CD1 LEU A 51 -2.901 -3.747 0.214 1.00 0.00 C ATOM 801 CD2 LEU A 51 -3.955 -4.732 2.244 1.00 0.00 C ATOM 0 H LEU A 51 0.608 -6.843 1.357 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.356 -4.151 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.990 -6.162 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.522 -5.575 2.818 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.309 -3.291 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.647 -2.953 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.969 -3.384 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.259 -4.601 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.735 -3.972 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.262 -5.607 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.795 -5.018 3.284 1.00 0.00 H new ATOM 813 N VAL A 52 0.661 -3.155 2.560 1.00 0.00 N ATOM 814 CA VAL A 52 1.336 -2.467 3.633 1.00 0.00 C ATOM 815 C VAL A 52 0.259 -1.581 4.228 1.00 0.00 C ATOM 816 O VAL A 52 -0.427 -0.884 3.472 1.00 0.00 O ATOM 817 CB VAL A 52 2.529 -1.677 3.060 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.039 -0.647 4.070 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.670 -2.630 2.670 1.00 0.00 C ATOM 0 H VAL A 52 0.116 -2.521 1.977 1.00 0.00 H new ATOM 0 HA VAL A 52 1.762 -3.120 4.395 1.00 0.00 H new ATOM 0 HB VAL A 52 2.184 -1.151 2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.881 -0.103 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.239 0.053 4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.361 -1.156 4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.503 -2.054 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.001 -3.181 3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.316 -3.332 1.915 1.00 0.00 H new ATOM 829 N ASP A 53 0.071 -1.636 5.543 1.00 0.00 N ATOM 830 CA ASP A 53 -0.738 -0.677 6.271 1.00 0.00 C ATOM 831 C ASP A 53 0.139 0.409 6.894 1.00 0.00 C ATOM 832 O ASP A 53 1.371 0.382 6.815 1.00 0.00 O ATOM 833 CB ASP A 53 -1.571 -1.395 7.336 1.00 0.00 C ATOM 834 CG ASP A 53 -0.891 -1.632 8.678 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.348 -1.755 8.753 1.00 0.00 O ATOM 836 OD2 ASP A 53 -1.645 -1.691 9.675 1.00 0.00 O ATOM 0 H ASP A 53 0.483 -2.357 6.135 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.419 -0.190 5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.478 -0.815 7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.881 -2.360 6.935 1.00 0.00 H new ATOM 841 N SER A 54 -0.518 1.363 7.545 1.00 0.00 N ATOM 842 CA SER A 54 0.094 2.503 8.193 1.00 0.00 C ATOM 843 C SER A 54 1.073 2.098 9.313 1.00 0.00 C ATOM 844 O SER A 54 1.919 2.912 9.678 1.00 0.00 O ATOM 845 CB SER A 54 -1.059 3.381 8.703 1.00 0.00 C ATOM 846 OG SER A 54 -0.668 4.691 9.065 1.00 0.00 O ATOM 0 H SER A 54 -1.534 1.357 7.636 1.00 0.00 H new ATOM 0 HA SER A 54 0.715 3.056 7.488 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.825 3.442 7.930 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.516 2.897 9.567 1.00 0.00 H new ATOM 0 HG SER A 54 -1.451 5.191 9.378 1.00 0.00 H new ATOM 852 N ASN A 55 1.003 0.881 9.872 1.00 0.00 N ATOM 853 CA ASN A 55 1.847 0.462 10.998 1.00 0.00 C ATOM 854 C ASN A 55 3.213 -0.050 10.562 1.00 0.00 C ATOM 855 O ASN A 55 4.081 -0.212 11.421 1.00 0.00 O ATOM 856 CB ASN A 55 1.200 -0.677 11.795 1.00 0.00 C ATOM 857 CG ASN A 55 0.020 -0.218 12.613 1.00 0.00 C ATOM 858 OD1 ASN A 55 0.190 0.443 13.633 1.00 0.00 O ATOM 859 ND2 ASN A 55 -1.186 -0.544 12.197 1.00 0.00 N ATOM 0 H ASN A 55 0.357 0.158 9.554 1.00 0.00 H new ATOM 0 HA ASN A 55 1.960 1.362 11.603 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.878 -1.459 11.107 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.944 -1.121 12.456 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.006 -0.246 12.726 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.300 -1.094 11.346 1.00 0.00 H new ATOM 866 N PHE A 56 3.411 -0.341 9.274 1.00 0.00 N ATOM 867 CA PHE A 56 4.472 -1.240 8.802 1.00 0.00 C ATOM 868 C PHE A 56 4.175 -2.674 9.256 1.00 0.00 C ATOM 869 O PHE A 56 5.072 -3.394 9.711 1.00 0.00 O ATOM 870 CB PHE A 56 5.923 -0.839 9.165 1.00 0.00 C ATOM 871 CG PHE A 56 6.472 0.404 8.519 1.00 0.00 C ATOM 872 CD1 PHE A 56 5.842 1.644 8.719 1.00 0.00 C ATOM 873 CD2 PHE A 56 7.636 0.316 7.728 1.00 0.00 C ATOM 874 CE1 PHE A 56 6.352 2.795 8.111 1.00 0.00 C ATOM 875 CE2 PHE A 56 8.154 1.480 7.139 1.00 0.00 C ATOM 876 CZ PHE A 56 7.514 2.719 7.329 1.00 0.00 C ATOM 0 H PHE A 56 2.837 0.042 8.523 1.00 0.00 H new ATOM 0 HA PHE A 56 4.445 -1.158 7.715 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.978 -0.711 10.246 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.578 -1.671 8.908 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.963 1.708 9.343 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.123 -0.636 7.577 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.851 3.743 8.243 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.049 1.425 6.537 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.917 3.611 6.873 1.00 0.00 H new ATOM 886 N HIS A 57 2.919 -3.105 9.174 1.00 0.00 N ATOM 887 CA HIS A 57 2.618 -4.517 9.052 1.00 0.00 C ATOM 888 C HIS A 57 2.543 -4.799 7.552 1.00 0.00 C ATOM 889 O HIS A 57 1.878 -4.068 6.813 1.00 0.00 O ATOM 890 CB HIS A 57 1.333 -4.848 9.808 1.00 0.00 C ATOM 891 CG HIS A 57 1.407 -4.551 11.289 1.00 0.00 C ATOM 892 ND1 HIS A 57 0.425 -3.940 12.034 1.00 0.00 N ATOM 893 CD2 HIS A 57 2.424 -4.878 12.147 1.00 0.00 C ATOM 894 CE1 HIS A 57 0.839 -3.874 13.306 1.00 0.00 C ATOM 895 NE2 HIS A 57 2.027 -4.489 13.433 1.00 0.00 N ATOM 0 H HIS A 57 2.101 -2.495 9.190 1.00 0.00 H new ATOM 0 HA HIS A 57 3.379 -5.156 9.500 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.510 -4.281 9.373 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.102 -5.904 9.669 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.359 -5.349 11.881 1.00 0.00 H new ATOM 0 HE1 HIS A 57 0.298 -3.397 14.110 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.541 -4.643 14.300 1.00 0.00 H new ATOM 903 N CYS A 58 3.288 -5.804 7.088 1.00 0.00 N ATOM 904 CA CYS A 58 3.204 -6.276 5.719 1.00 0.00 C ATOM 905 C CYS A 58 2.149 -7.376 5.650 1.00 0.00 C ATOM 906 O CYS A 58 1.870 -8.039 6.653 1.00 0.00 O ATOM 907 CB CYS A 58 4.564 -6.836 5.286 1.00 0.00 C ATOM 908 SG CYS A 58 4.862 -6.414 3.559 1.00 0.00 S ATOM 0 H CYS A 58 3.966 -6.310 7.658 1.00 0.00 H new ATOM 0 HA CYS A 58 2.931 -5.456 5.055 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.355 -6.426 5.914 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.582 -7.918 5.416 1.00 0.00 H new ATOM 0 HG CYS A 58 6.016 -6.886 3.190 1.00 0.00 H new ATOM 914 N PHE A 59 1.624 -7.644 4.456 1.00 0.00 N ATOM 915 CA PHE A 59 0.652 -8.702 4.227 1.00 0.00 C ATOM 916 C PHE A 59 0.874 -9.345 2.868 1.00 0.00 C ATOM 917 O PHE A 59 1.450 -8.731 1.973 1.00 0.00 O ATOM 918 CB PHE A 59 -0.775 -8.150 4.297 1.00 0.00 C ATOM 919 CG PHE A 59 -1.080 -7.378 5.558 1.00 0.00 C ATOM 920 CD1 PHE A 59 -0.823 -5.995 5.622 1.00 0.00 C ATOM 921 CD2 PHE A 59 -1.509 -8.069 6.703 1.00 0.00 C ATOM 922 CE1 PHE A 59 -0.958 -5.312 6.836 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.607 -7.391 7.926 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.321 -6.016 7.990 1.00 0.00 C ATOM 0 H PHE A 59 1.867 -7.124 3.613 1.00 0.00 H new ATOM 0 HA PHE A 59 0.785 -9.452 5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.944 -7.501 3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.478 -8.979 4.213 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.521 -5.461 4.733 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.762 -9.117 6.642 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.783 -4.247 6.882 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.902 -7.924 8.818 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.382 -5.499 8.936 1.00 0.00 H new ATOM 934 N VAL A 60 0.338 -10.547 2.686 1.00 0.00 N ATOM 935 CA VAL A 60 0.344 -11.359 1.479 1.00 0.00 C ATOM 936 C VAL A 60 -1.051 -11.988 1.358 1.00 0.00 C ATOM 937 O VAL A 60 -1.577 -12.517 2.334 1.00 0.00 O ATOM 938 CB VAL A 60 1.483 -12.396 1.592 1.00 0.00 C ATOM 939 CG1 VAL A 60 1.368 -13.539 0.582 1.00 0.00 C ATOM 940 CG2 VAL A 60 2.847 -11.728 1.335 1.00 0.00 C ATOM 0 H VAL A 60 -0.154 -11.017 3.446 1.00 0.00 H new ATOM 0 HA VAL A 60 0.537 -10.784 0.573 1.00 0.00 H new ATOM 0 HB VAL A 60 1.401 -12.797 2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.200 -14.230 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.428 -14.068 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.394 -13.134 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.638 -12.473 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.858 -11.297 0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.011 -10.941 2.071 1.00 0.00 H new ATOM 950 N LEU A 61 -1.649 -11.880 0.168 1.00 0.00 N ATOM 951 CA LEU A 61 -2.894 -12.548 -0.209 1.00 0.00 C ATOM 952 C LEU A 61 -2.526 -14.000 -0.471 1.00 0.00 C ATOM 953 O LEU A 61 -1.587 -14.221 -1.240 1.00 0.00 O ATOM 954 CB LEU A 61 -3.462 -11.920 -1.503 1.00 0.00 C ATOM 955 CG LEU A 61 -4.907 -12.324 -1.924 1.00 0.00 C ATOM 956 CD1 LEU A 61 -5.251 -12.202 -3.419 1.00 0.00 C ATOM 957 CD2 LEU A 61 -5.767 -13.260 -1.086 1.00 0.00 C ATOM 0 H LEU A 61 -1.266 -11.306 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.649 -12.452 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.435 -10.836 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.790 -12.173 -2.323 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.347 -11.449 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.283 -12.512 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.129 -11.167 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.585 -12.841 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.733 -13.399 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.267 -14.224 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.918 -12.828 -0.097 1.00 0.00 H new ATOM 969 N GLU A 62 -3.252 -14.953 0.103 1.00 0.00 N ATOM 970 CA GLU A 62 -3.055 -16.393 -0.084 1.00 0.00 C ATOM 971 C GLU A 62 -4.361 -17.034 -0.599 1.00 0.00 C ATOM 972 O GLU A 62 -5.408 -16.399 -0.552 1.00 0.00 O ATOM 973 CB GLU A 62 -2.551 -16.984 1.245 1.00 0.00 C ATOM 974 CG GLU A 62 -1.252 -16.300 1.700 1.00 0.00 C ATOM 975 CD GLU A 62 -0.345 -17.183 2.552 1.00 0.00 C ATOM 976 OE1 GLU A 62 -0.006 -18.302 2.097 1.00 0.00 O ATOM 977 OE2 GLU A 62 0.128 -16.717 3.611 1.00 0.00 O ATOM 0 H GLU A 62 -4.023 -14.740 0.735 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.301 -16.605 -0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.316 -16.865 2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.380 -18.054 1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.699 -15.973 0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.506 -15.405 2.267 1.00 0.00 H new ATOM 984 N GLU A 63 -4.358 -18.273 -1.089 1.00 0.00 N ATOM 985 CA GLU A 63 -5.487 -18.837 -1.852 1.00 0.00 C ATOM 986 C GLU A 63 -6.830 -18.841 -1.109 1.00 0.00 C ATOM 987 O GLU A 63 -7.895 -18.791 -1.736 1.00 0.00 O ATOM 988 CB GLU A 63 -5.159 -20.269 -2.271 1.00 0.00 C ATOM 989 CG GLU A 63 -4.151 -20.304 -3.420 1.00 0.00 C ATOM 990 CD GLU A 63 -3.523 -21.685 -3.493 1.00 0.00 C ATOM 991 OE1 GLU A 63 -4.086 -22.578 -4.148 1.00 0.00 O ATOM 992 OE2 GLU A 63 -2.472 -21.866 -2.822 1.00 0.00 O ATOM 0 H GLU A 63 -3.577 -18.919 -0.972 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.611 -18.178 -2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.757 -20.815 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.074 -20.778 -2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.647 -20.067 -4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.380 -19.549 -3.266 1.00 0.00 H new ATOM 999 N ASP A 64 -6.772 -18.906 0.218 1.00 0.00 N ATOM 1000 CA ASP A 64 -7.866 -18.867 1.185 1.00 0.00 C ATOM 1001 C ASP A 64 -8.440 -17.441 1.368 1.00 0.00 C ATOM 1002 O ASP A 64 -9.179 -17.179 2.315 1.00 0.00 O ATOM 1003 CB ASP A 64 -7.332 -19.540 2.468 1.00 0.00 C ATOM 1004 CG ASP A 64 -8.321 -19.765 3.612 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -9.552 -19.837 3.424 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -7.833 -19.918 4.757 1.00 0.00 O ATOM 0 H ASP A 64 -5.872 -18.996 0.689 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.739 -19.420 0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.913 -20.507 2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.510 -18.934 2.849 1.00 0.00 H new ATOM 1011 N ALA A 65 -8.133 -16.489 0.454 1.00 0.00 N ATOM 1012 CA ALA A 65 -8.788 -15.188 0.327 1.00 0.00 C ATOM 1013 C ALA A 65 -8.497 -14.252 1.494 1.00 0.00 C ATOM 1014 O ALA A 65 -9.117 -13.185 1.558 1.00 0.00 O ATOM 1015 CB ALA A 65 -10.305 -15.338 0.112 1.00 0.00 C ATOM 0 H ALA A 65 -7.393 -16.623 -0.235 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.357 -14.724 -0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.759 -14.351 0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.489 -15.907 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.743 -15.863 0.961 1.00 0.00 H new ATOM 1021 N HIS A 66 -7.572 -14.594 2.386 1.00 0.00 N ATOM 1022 CA HIS A 66 -7.118 -13.709 3.434 1.00 0.00 C ATOM 1023 C HIS A 66 -5.782 -13.080 3.087 1.00 0.00 C ATOM 1024 O HIS A 66 -4.999 -13.593 2.284 1.00 0.00 O ATOM 1025 CB HIS A 66 -7.147 -14.401 4.807 1.00 0.00 C ATOM 1026 CG HIS A 66 -6.238 -15.595 4.958 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -4.896 -15.631 4.688 1.00 0.00 N flip ATOM 1028 CD2 HIS A 66 -6.634 -16.874 5.292 1.00 0.00 C flip ATOM 1029 CE1 HIS A 66 -4.473 -16.949 4.852 1.00 0.00 C flip ATOM 1030 NE2 HIS A 66 -5.552 -17.667 5.224 1.00 0.00 N flip ATOM 0 H HIS A 66 -7.116 -15.506 2.395 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.820 -12.879 3.512 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.882 -13.667 5.568 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.170 -14.718 5.012 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.634 -17.182 5.560 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.471 -17.324 4.708 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.547 -18.667 5.425 1.00 0.00 H new ATOM 1038 N TRP A 67 -5.530 -11.971 3.770 1.00 0.00 N ATOM 1039 CA TRP A 67 -4.269 -11.275 3.834 1.00 0.00 C ATOM 1040 C TRP A 67 -3.602 -11.740 5.120 1.00 0.00 C ATOM 1041 O TRP A 67 -3.986 -11.295 6.203 1.00 0.00 O ATOM 1042 CB TRP A 67 -4.545 -9.770 3.788 1.00 0.00 C ATOM 1043 CG TRP A 67 -4.864 -9.287 2.409 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.087 -9.099 1.870 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -3.924 -8.986 1.347 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -5.959 -8.690 0.556 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -4.639 -8.626 0.174 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -2.525 -9.001 1.265 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -3.988 -8.281 -1.021 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -1.858 -8.644 0.088 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -2.583 -8.267 -1.054 1.00 0.00 C ATOM 0 H TRP A 67 -6.251 -11.512 4.326 1.00 0.00 H new ATOM 0 HA TRP A 67 -3.601 -11.486 2.999 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.377 -9.536 4.453 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.675 -9.233 4.165 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.024 -9.246 2.387 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.745 -8.464 -0.054 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.949 -9.295 2.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -4.559 -8.030 -1.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -0.779 -8.658 0.058 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.064 -7.968 -1.953 1.00 0.00 H new ATOM 1062 N HIS A 68 -2.693 -12.711 5.029 1.00 0.00 N ATOM 1063 CA HIS A 68 -1.933 -13.152 6.192 1.00 0.00 C ATOM 1064 C HIS A 68 -0.939 -12.032 6.544 1.00 0.00 C ATOM 1065 O HIS A 68 -0.393 -11.418 5.619 1.00 0.00 O ATOM 1066 CB HIS A 68 -1.233 -14.477 5.844 1.00 0.00 C ATOM 1067 CG HIS A 68 -0.262 -14.975 6.888 1.00 0.00 C ATOM 1068 ND1 HIS A 68 -0.553 -15.615 8.063 1.00 0.00 N flip ATOM 1069 CD2 HIS A 68 1.105 -14.897 6.788 1.00 0.00 C flip ATOM 1070 CE1 HIS A 68 0.661 -15.884 8.722 1.00 0.00 C flip ATOM 1071 NE2 HIS A 68 1.630 -15.436 7.899 1.00 0.00 N flip ATOM 0 H HIS A 68 -2.468 -13.204 4.165 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.566 -13.337 7.060 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.993 -15.241 5.681 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.699 -14.353 4.902 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.659 -14.477 5.962 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.790 -16.352 9.687 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.629 -15.498 8.095 1.00 0.00 H new ATOM 1079 N PRO A 69 -0.652 -11.771 7.835 1.00 0.00 N ATOM 1080 CA PRO A 69 0.376 -10.826 8.251 1.00 0.00 C ATOM 1081 C PRO A 69 1.748 -11.389 7.880 1.00 0.00 C ATOM 1082 O PRO A 69 2.255 -12.324 8.500 1.00 0.00 O ATOM 1083 CB PRO A 69 0.186 -10.610 9.756 1.00 0.00 C ATOM 1084 CG PRO A 69 -0.495 -11.897 10.211 1.00 0.00 C ATOM 1085 CD PRO A 69 -1.353 -12.283 9.007 1.00 0.00 C ATOM 0 HA PRO A 69 0.301 -9.861 7.751 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.138 -10.457 10.264 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -0.429 -9.734 9.962 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.231 -12.673 10.453 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.101 -11.738 11.103 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.477 -13.364 8.946 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.351 -11.852 9.084 1.00 0.00 H new ATOM 1093 N ALA A 70 2.351 -10.821 6.842 1.00 0.00 N ATOM 1094 CA ALA A 70 3.614 -11.235 6.256 1.00 0.00 C ATOM 1095 C ALA A 70 4.797 -10.694 7.068 1.00 0.00 C ATOM 1096 O ALA A 70 5.780 -10.218 6.494 1.00 0.00 O ATOM 1097 CB ALA A 70 3.636 -10.764 4.800 1.00 0.00 C ATOM 0 H ALA A 70 1.947 -10.016 6.363 1.00 0.00 H new ATOM 0 HA ALA A 70 3.710 -12.321 6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.576 -11.062 4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.804 -11.215 4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.544 -9.678 4.767 1.00 0.00 H new ATOM 1103 N ALA A 71 4.716 -10.779 8.401 1.00 0.00 N ATOM 1104 CA ALA A 71 5.597 -10.109 9.351 1.00 0.00 C ATOM 1105 C ALA A 71 5.534 -8.575 9.212 1.00 0.00 C ATOM 1106 O ALA A 71 4.953 -8.039 8.261 1.00 0.00 O ATOM 1107 CB ALA A 71 7.025 -10.679 9.260 1.00 0.00 C ATOM 0 H ALA A 71 4.002 -11.343 8.862 1.00 0.00 H new ATOM 0 HA ALA A 71 5.241 -10.318 10.360 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.668 -10.167 9.976 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.006 -11.745 9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.413 -10.529 8.252 1.00 0.00 H new ATOM 1113 N PRO A 72 6.069 -7.826 10.187 1.00 0.00 N ATOM 1114 CA PRO A 72 6.261 -6.398 10.016 1.00 0.00 C ATOM 1115 C PRO A 72 7.267 -6.083 8.899 1.00 0.00 C ATOM 1116 O PRO A 72 7.852 -6.969 8.267 1.00 0.00 O ATOM 1117 CB PRO A 72 6.704 -5.880 11.379 1.00 0.00 C ATOM 1118 CG PRO A 72 7.364 -7.085 12.040 1.00 0.00 C ATOM 1119 CD PRO A 72 6.573 -8.263 11.483 1.00 0.00 C ATOM 0 HA PRO A 72 5.344 -5.903 9.695 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.401 -5.048 11.282 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.857 -5.520 11.963 1.00 0.00 H new ATOM 0 HG2 PRO A 72 8.422 -7.154 11.787 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.299 -7.034 13.127 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.205 -9.145 11.379 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.754 -8.534 12.150 1.00 0.00 H new ATOM 1127 N LEU A 73 7.456 -4.791 8.646 1.00 0.00 N ATOM 1128 CA LEU A 73 8.355 -4.257 7.634 1.00 0.00 C ATOM 1129 C LEU A 73 9.341 -3.329 8.355 1.00 0.00 C ATOM 1130 O LEU A 73 8.930 -2.683 9.320 1.00 0.00 O ATOM 1131 CB LEU A 73 7.444 -3.595 6.589 1.00 0.00 C ATOM 1132 CG LEU A 73 8.125 -3.291 5.250 1.00 0.00 C ATOM 1133 CD1 LEU A 73 7.183 -3.464 4.057 1.00 0.00 C ATOM 1134 CD2 LEU A 73 8.720 -1.921 5.233 1.00 0.00 C ATOM 0 H LEU A 73 6.966 -4.060 9.162 1.00 0.00 H new ATOM 0 HA LEU A 73 8.972 -4.984 7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.589 -4.246 6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.054 -2.665 7.003 1.00 0.00 H new ATOM 0 HG LEU A 73 8.926 -4.024 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.718 -3.236 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.824 -4.493 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.335 -2.787 4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.194 -1.742 4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.936 -1.182 5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.465 -1.838 6.024 1.00 0.00 H new ATOM 1146 N PRO A 74 10.627 -3.258 7.970 1.00 0.00 N ATOM 1147 CA PRO A 74 11.611 -2.451 8.692 1.00 0.00 C ATOM 1148 C PRO A 74 11.487 -0.970 8.304 1.00 0.00 C ATOM 1149 O PRO A 74 10.924 -0.654 7.256 1.00 0.00 O ATOM 1150 CB PRO A 74 12.971 -3.048 8.309 1.00 0.00 C ATOM 1151 CG PRO A 74 12.738 -3.648 6.927 1.00 0.00 C ATOM 1152 CD PRO A 74 11.277 -4.077 6.957 1.00 0.00 C ATOM 0 HA PRO A 74 11.466 -2.476 9.772 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.749 -2.285 8.286 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.289 -3.806 9.024 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.925 -2.919 6.138 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.399 -4.494 6.742 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.810 -3.932 5.983 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.188 -5.136 7.199 1.00 0.00 H new ATOM 1160 N PRO A 75 12.081 -0.030 9.054 1.00 0.00 N ATOM 1161 CA PRO A 75 11.985 1.390 8.723 1.00 0.00 C ATOM 1162 C PRO A 75 12.666 1.749 7.403 1.00 0.00 C ATOM 1163 O PRO A 75 12.423 2.839 6.884 1.00 0.00 O ATOM 1164 CB PRO A 75 12.638 2.111 9.905 1.00 0.00 C ATOM 1165 CG PRO A 75 13.627 1.082 10.449 1.00 0.00 C ATOM 1166 CD PRO A 75 12.882 -0.233 10.251 1.00 0.00 C ATOM 0 HA PRO A 75 10.946 1.684 8.574 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.142 3.024 9.589 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.902 2.397 10.657 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.571 1.099 9.904 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.862 1.261 11.498 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.575 -1.065 10.127 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.255 -0.466 11.112 1.00 0.00 H new ATOM 1174 N GLU A 76 13.515 0.871 6.871 1.00 0.00 N ATOM 1175 CA GLU A 76 14.102 1.008 5.549 1.00 0.00 C ATOM 1176 C GLU A 76 13.247 0.364 4.444 1.00 0.00 C ATOM 1177 O GLU A 76 13.299 0.843 3.311 1.00 0.00 O ATOM 1178 CB GLU A 76 15.525 0.431 5.547 1.00 0.00 C ATOM 1179 CG GLU A 76 15.619 -1.011 6.044 1.00 0.00 C ATOM 1180 CD GLU A 76 16.815 -1.709 5.410 1.00 0.00 C ATOM 1181 OE1 GLU A 76 16.638 -2.310 4.331 1.00 0.00 O ATOM 1182 OE2 GLU A 76 17.917 -1.698 6.005 1.00 0.00 O ATOM 0 H GLU A 76 13.817 0.029 7.361 1.00 0.00 H new ATOM 0 HA GLU A 76 14.142 2.073 5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.923 0.480 4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 76 16.161 1.060 6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.715 -1.024 7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.703 -1.548 5.799 1.00 0.00 H new ATOM 1189 N GLY A 77 12.441 -0.668 4.747 1.00 0.00 N ATOM 1190 CA GLY A 77 11.802 -1.542 3.765 1.00 0.00 C ATOM 1191 C GLY A 77 10.890 -0.776 2.811 1.00 0.00 C ATOM 1192 O GLY A 77 10.779 -1.110 1.629 1.00 0.00 O ATOM 0 H GLY A 77 12.214 -0.919 5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.569 -2.061 3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.222 -2.305 4.284 1.00 0.00 H new ATOM 1196 N LEU A 78 10.215 0.242 3.353 1.00 0.00 N ATOM 1197 CA LEU A 78 9.262 1.093 2.659 1.00 0.00 C ATOM 1198 C LEU A 78 9.966 1.736 1.471 1.00 0.00 C ATOM 1199 O LEU A 78 9.458 1.712 0.354 1.00 0.00 O ATOM 1200 CB LEU A 78 8.732 2.131 3.667 1.00 0.00 C ATOM 1201 CG LEU A 78 8.086 3.390 3.051 1.00 0.00 C ATOM 1202 CD1 LEU A 78 6.813 3.082 2.254 1.00 0.00 C ATOM 1203 CD2 LEU A 78 7.749 4.357 4.187 1.00 0.00 C ATOM 0 H LEU A 78 10.328 0.502 4.333 1.00 0.00 H new ATOM 0 HA LEU A 78 8.411 0.532 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.998 1.645 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.557 2.444 4.307 1.00 0.00 H new ATOM 0 HG LEU A 78 8.799 3.823 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.406 4.007 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.051 2.400 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.076 2.620 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.290 5.256 3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.054 3.879 4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.662 4.626 4.719 1.00 0.00 H new ATOM 1215 N ASN A 79 11.150 2.294 1.715 1.00 0.00 N ATOM 1216 CA ASN A 79 11.885 3.067 0.729 1.00 0.00 C ATOM 1217 C ASN A 79 12.272 2.240 -0.494 1.00 0.00 C ATOM 1218 O ASN A 79 12.429 2.824 -1.561 1.00 0.00 O ATOM 1219 CB ASN A 79 13.128 3.705 1.366 1.00 0.00 C ATOM 1220 CG ASN A 79 12.928 5.198 1.538 1.00 0.00 C ATOM 1221 OD1 ASN A 79 13.028 5.940 0.570 1.00 0.00 O ATOM 1222 ND2 ASN A 79 12.606 5.646 2.742 1.00 0.00 N ATOM 0 H ASN A 79 11.627 2.219 2.614 1.00 0.00 H new ATOM 0 HA ASN A 79 11.218 3.855 0.379 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.325 3.244 2.334 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.001 3.518 0.741 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.432 6.641 2.886 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.532 4.996 3.525 1.00 0.00 H new ATOM 1229 N ASP A 80 12.410 0.917 -0.376 1.00 0.00 N ATOM 1230 CA ASP A 80 12.771 0.026 -1.490 1.00 0.00 C ATOM 1231 C ASP A 80 11.613 -0.143 -2.471 1.00 0.00 C ATOM 1232 O ASP A 80 11.794 -0.232 -3.682 1.00 0.00 O ATOM 1233 CB ASP A 80 13.120 -1.360 -0.943 1.00 0.00 C ATOM 1234 CG ASP A 80 14.092 -2.152 -1.830 1.00 0.00 C ATOM 1235 OD1 ASP A 80 14.868 -1.538 -2.604 1.00 0.00 O ATOM 1236 OD2 ASP A 80 14.072 -3.399 -1.756 1.00 0.00 O ATOM 0 H ASP A 80 12.273 0.424 0.507 1.00 0.00 H new ATOM 0 HA ASP A 80 13.619 0.475 -2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.557 -1.249 0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.202 -1.935 -0.824 1.00 0.00 H new ATOM 1241 N LEU A 81 10.400 -0.194 -1.927 1.00 0.00 N ATOM 1242 CA LEU A 81 9.155 -0.207 -2.705 1.00 0.00 C ATOM 1243 C LEU A 81 8.985 1.111 -3.455 1.00 0.00 C ATOM 1244 O LEU A 81 8.757 1.118 -4.664 1.00 0.00 O ATOM 1245 CB LEU A 81 7.948 -0.472 -1.787 1.00 0.00 C ATOM 1246 CG LEU A 81 7.516 -1.944 -1.796 1.00 0.00 C ATOM 1247 CD1 LEU A 81 8.652 -2.909 -1.432 1.00 0.00 C ATOM 1248 CD2 LEU A 81 6.358 -2.133 -0.812 1.00 0.00 C ATOM 0 H LEU A 81 10.247 -0.228 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 81 9.210 -1.014 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.198 -0.176 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.111 0.151 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 81 7.210 -2.182 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.281 -3.934 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.466 -2.800 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.018 -2.679 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.046 -3.177 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.683 -1.853 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.520 -1.504 -1.111 1.00 0.00 H new ATOM 1260 N ILE A 82 9.132 2.221 -2.733 1.00 0.00 N ATOM 1261 CA ILE A 82 9.115 3.587 -3.268 1.00 0.00 C ATOM 1262 C ILE A 82 10.118 3.687 -4.431 1.00 0.00 C ATOM 1263 O ILE A 82 9.780 4.197 -5.497 1.00 0.00 O ATOM 1264 CB ILE A 82 9.396 4.581 -2.113 1.00 0.00 C ATOM 1265 CG1 ILE A 82 8.341 4.476 -0.984 1.00 0.00 C ATOM 1266 CG2 ILE A 82 9.578 6.044 -2.551 1.00 0.00 C ATOM 1267 CD1 ILE A 82 6.969 5.097 -1.263 1.00 0.00 C ATOM 0 H ILE A 82 9.271 2.196 -1.723 1.00 0.00 H new ATOM 0 HA ILE A 82 8.139 3.847 -3.678 1.00 0.00 H new ATOM 0 HB ILE A 82 10.363 4.266 -1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.196 3.421 -0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.752 4.946 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.770 6.665 -1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.421 6.116 -3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.672 6.390 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.323 4.957 -0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.085 6.163 -1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.521 4.614 -2.131 1.00 0.00 H new ATOM 1279 N ARG A 83 11.315 3.099 -4.289 1.00 0.00 N ATOM 1280 CA ARG A 83 12.361 3.006 -5.284 1.00 0.00 C ATOM 1281 C ARG A 83 11.911 2.431 -6.631 1.00 0.00 C ATOM 1282 O ARG A 83 12.637 2.614 -7.602 1.00 0.00 O ATOM 1283 CB ARG A 83 13.468 2.127 -4.673 1.00 0.00 C ATOM 1284 CG ARG A 83 14.846 2.655 -5.008 1.00 0.00 C ATOM 1285 CD ARG A 83 15.948 1.673 -4.590 1.00 0.00 C ATOM 1286 NE ARG A 83 17.186 1.890 -5.363 1.00 0.00 N ATOM 1287 CZ ARG A 83 17.762 0.999 -6.183 1.00 0.00 C ATOM 1288 NH1 ARG A 83 17.451 -0.290 -6.120 1.00 0.00 N ATOM 1289 NH2 ARG A 83 18.663 1.408 -7.062 1.00 0.00 N ATOM 0 H ARG A 83 11.583 2.650 -3.413 1.00 0.00 H new ATOM 0 HA ARG A 83 12.702 4.014 -5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 83 13.346 2.087 -3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.369 1.106 -5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.913 2.842 -6.080 1.00 0.00 H new ATOM 0 HG3 ARG A 83 15.001 3.611 -4.507 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.157 1.789 -3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.601 0.650 -4.737 1.00 0.00 H new ATOM 0 HE ARG A 83 17.643 2.796 -5.265 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.764 -0.616 -5.440 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.899 -0.954 -6.751 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.915 2.395 -7.112 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.105 0.736 -7.689 1.00 0.00 H new ATOM 1303 N ALA A 84 10.772 1.738 -6.720 1.00 0.00 N ATOM 1304 CA ALA A 84 10.230 1.218 -7.972 1.00 0.00 C ATOM 1305 C ALA A 84 9.302 2.238 -8.628 1.00 0.00 C ATOM 1306 O ALA A 84 9.495 2.580 -9.793 1.00 0.00 O ATOM 1307 CB ALA A 84 9.561 -0.141 -7.719 1.00 0.00 C ATOM 0 H ALA A 84 10.193 1.521 -5.909 1.00 0.00 H new ATOM 0 HA ALA A 84 11.038 1.051 -8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.157 -0.527 -8.655 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.297 -0.841 -7.325 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.753 -0.020 -6.997 1.00 0.00 H new ATOM 1313 N HIS A 85 8.326 2.763 -7.890 1.00 0.00 N ATOM 1314 CA HIS A 85 7.432 3.810 -8.378 1.00 0.00 C ATOM 1315 C HIS A 85 8.238 5.033 -8.821 1.00 0.00 C ATOM 1316 O HIS A 85 8.059 5.570 -9.913 1.00 0.00 O ATOM 1317 CB HIS A 85 6.439 4.152 -7.265 1.00 0.00 C ATOM 1318 CG HIS A 85 5.724 5.466 -7.442 1.00 0.00 C ATOM 1319 ND1 HIS A 85 4.432 5.662 -7.869 1.00 0.00 N ATOM 1320 CD2 HIS A 85 6.216 6.687 -7.072 1.00 0.00 C ATOM 1321 CE1 HIS A 85 4.156 6.966 -7.757 1.00 0.00 C ATOM 1322 NE2 HIS A 85 5.218 7.637 -7.279 1.00 0.00 N ATOM 0 H HIS A 85 8.132 2.472 -6.932 1.00 0.00 H new ATOM 0 HA HIS A 85 6.878 3.464 -9.251 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.697 3.356 -7.201 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.971 4.169 -6.314 1.00 0.00 H new ATOM 0 HD1 HIS A 85 3.797 4.941 -8.211 1.00 0.00 H new ATOM 0 HD2 HIS A 85 7.206 6.881 -6.686 1.00 0.00 H new ATOM 0 HE1 HIS A 85 3.210 7.418 -8.015 1.00 0.00 H new ATOM 1330 N CYS A 86 9.165 5.468 -7.978 1.00 0.00 N ATOM 1331 CA CYS A 86 9.964 6.643 -8.265 1.00 0.00 C ATOM 1332 C CYS A 86 10.885 6.396 -9.450 1.00 0.00 C ATOM 1333 O CYS A 86 11.071 7.307 -10.251 1.00 0.00 O ATOM 1334 CB CYS A 86 10.763 7.016 -7.033 1.00 0.00 C ATOM 1335 SG CYS A 86 9.590 7.552 -5.759 1.00 0.00 S ATOM 0 H CYS A 86 9.380 5.020 -7.087 1.00 0.00 H new ATOM 0 HA CYS A 86 9.303 7.469 -8.529 1.00 0.00 H new ATOM 0 HB2 CYS A 86 11.346 6.164 -6.683 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.470 7.813 -7.262 1.00 0.00 H new ATOM 0 HG CYS A 86 10.239 7.880 -4.681 1.00 0.00 H new ATOM 1341 N ALA A 87 11.431 5.185 -9.592 1.00 0.00 N ATOM 1342 CA ALA A 87 12.247 4.838 -10.739 1.00 0.00 C ATOM 1343 C ALA A 87 11.439 4.893 -12.024 1.00 0.00 C ATOM 1344 O ALA A 87 11.910 5.479 -12.997 1.00 0.00 O ATOM 1345 CB ALA A 87 12.871 3.455 -10.564 1.00 0.00 C ATOM 0 H ALA A 87 11.316 4.429 -8.917 1.00 0.00 H new ATOM 0 HA ALA A 87 13.048 5.574 -10.809 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.479 3.217 -11.437 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.498 3.449 -9.673 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.082 2.711 -10.457 1.00 0.00 H new ATOM 1351 N THR A 88 10.241 4.309 -12.032 1.00 0.00 N ATOM 1352 CA THR A 88 9.483 4.190 -13.277 1.00 0.00 C ATOM 1353 C THR A 88 9.027 5.589 -13.731 1.00 0.00 C ATOM 1354 O THR A 88 8.980 5.858 -14.933 1.00 0.00 O ATOM 1355 CB THR A 88 8.379 3.113 -13.140 1.00 0.00 C ATOM 1356 OG1 THR A 88 7.986 2.553 -14.377 1.00 0.00 O ATOM 1357 CG2 THR A 88 7.140 3.558 -12.367 1.00 0.00 C ATOM 0 H THR A 88 9.782 3.918 -11.209 1.00 0.00 H new ATOM 0 HA THR A 88 10.103 3.818 -14.092 1.00 0.00 H new ATOM 0 HB THR A 88 8.870 2.343 -12.544 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.290 1.880 -14.225 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.424 2.737 -12.324 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.426 3.844 -11.355 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.684 4.411 -12.870 1.00 0.00 H new ATOM 1365 N LEU A 89 8.764 6.518 -12.805 1.00 0.00 N ATOM 1366 CA LEU A 89 8.399 7.894 -13.141 1.00 0.00 C ATOM 1367 C LEU A 89 9.643 8.711 -13.490 1.00 0.00 C ATOM 1368 O LEU A 89 9.726 9.258 -14.590 1.00 0.00 O ATOM 1369 CB LEU A 89 7.638 8.537 -11.974 1.00 0.00 C ATOM 1370 CG LEU A 89 6.280 7.874 -11.688 1.00 0.00 C ATOM 1371 CD1 LEU A 89 5.721 8.438 -10.389 1.00 0.00 C ATOM 1372 CD2 LEU A 89 5.259 8.097 -12.801 1.00 0.00 C ATOM 0 H LEU A 89 8.799 6.335 -11.802 1.00 0.00 H new ATOM 0 HA LEU A 89 7.748 7.879 -14.015 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.254 8.486 -11.077 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.479 9.593 -12.192 1.00 0.00 H new ATOM 0 HG LEU A 89 6.453 6.800 -11.618 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.758 7.975 -10.176 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.413 8.228 -9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.592 9.516 -10.486 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.322 7.605 -12.539 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.085 9.166 -12.926 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.640 7.680 -13.733 1.00 0.00 H new ATOM 1384 N GLY A 90 10.607 8.787 -12.569 1.00 0.00 N ATOM 1385 CA GLY A 90 11.842 9.557 -12.688 1.00 0.00 C ATOM 1386 C GLY A 90 12.075 10.496 -11.499 1.00 0.00 C ATOM 1387 O GLY A 90 12.499 11.631 -11.712 1.00 0.00 O ATOM 0 H GLY A 90 10.542 8.290 -11.681 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.685 8.871 -12.774 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.812 10.143 -13.607 1.00 0.00 H new ATOM 1391 N HIS A 91 11.778 10.073 -10.265 1.00 0.00 N ATOM 1392 CA HIS A 91 11.899 10.893 -9.056 1.00 0.00 C ATOM 1393 C HIS A 91 12.875 10.249 -8.066 1.00 0.00 C ATOM 1394 O HIS A 91 13.284 9.098 -8.253 1.00 0.00 O ATOM 1395 CB HIS A 91 10.507 11.106 -8.444 1.00 0.00 C ATOM 1396 CG HIS A 91 9.662 12.047 -9.264 1.00 0.00 C ATOM 1397 ND1 HIS A 91 9.450 13.382 -9.001 1.00 0.00 N ATOM 1398 CD2 HIS A 91 9.008 11.744 -10.427 1.00 0.00 C ATOM 1399 CE1 HIS A 91 8.662 13.864 -9.977 1.00 0.00 C ATOM 1400 NE2 HIS A 91 8.386 12.907 -10.881 1.00 0.00 N ATOM 0 H HIS A 91 11.439 9.130 -10.076 1.00 0.00 H new ATOM 0 HA HIS A 91 12.308 11.870 -9.312 1.00 0.00 H new ATOM 0 HB2 HIS A 91 9.999 10.145 -8.358 1.00 0.00 H new ATOM 0 HB3 HIS A 91 10.613 11.502 -7.434 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.979 10.777 -10.908 1.00 0.00 H new ATOM 0 HE1 HIS A 91 8.300 14.880 -10.028 1.00 0.00 H new ATOM 0 HE2 HIS A 91 7.831 13.011 -11.731 1.00 0.00 H new ATOM 1408 N CYS A 92 13.265 10.976 -7.013 1.00 0.00 N ATOM 1409 CA CYS A 92 14.184 10.503 -5.983 1.00 0.00 C ATOM 1410 C CYS A 92 13.890 11.181 -4.632 1.00 0.00 C ATOM 1411 O CYS A 92 13.121 12.146 -4.544 1.00 0.00 O ATOM 1412 CB CYS A 92 15.618 10.801 -6.446 1.00 0.00 C ATOM 1413 SG CYS A 92 16.860 9.822 -5.547 1.00 0.00 S ATOM 0 H CYS A 92 12.941 11.930 -6.854 1.00 0.00 H new ATOM 0 HA CYS A 92 14.058 9.430 -5.838 1.00 0.00 H new ATOM 0 HB2 CYS A 92 15.702 10.596 -7.513 1.00 0.00 H new ATOM 0 HB3 CYS A 92 15.827 11.862 -6.308 1.00 0.00 H new ATOM 0 HG CYS A 92 18.047 10.119 -5.986 1.00 0.00 H new ATOM 1419 N CYS A 93 14.545 10.667 -3.587 1.00 0.00 N ATOM 1420 CA CYS A 93 14.477 11.101 -2.200 1.00 0.00 C ATOM 1421 C CYS A 93 14.873 12.571 -2.043 1.00 0.00 C ATOM 1422 O CYS A 93 15.714 13.094 -2.777 1.00 0.00 O ATOM 1423 CB CYS A 93 15.475 10.260 -1.400 1.00 0.00 C ATOM 1424 SG CYS A 93 14.946 8.536 -1.237 1.00 0.00 S ATOM 0 H CYS A 93 15.182 9.879 -3.703 1.00 0.00 H new ATOM 0 HA CYS A 93 13.452 10.980 -1.849 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.449 10.294 -1.888 1.00 0.00 H new ATOM 0 HB3 CYS A 93 15.600 10.695 -0.408 1.00 0.00 H new ATOM 0 HG CYS A 93 13.648 8.483 -1.188 1.00 0.00 H new ATOM 1430 N THR A 94 14.334 13.181 -0.988 1.00 0.00 N ATOM 1431 CA THR A 94 14.436 14.599 -0.685 1.00 0.00 C ATOM 1432 C THR A 94 15.198 14.747 0.644 1.00 0.00 C ATOM 1433 O THR A 94 16.430 14.829 0.632 1.00 0.00 O ATOM 1434 CB THR A 94 13.017 15.228 -0.763 1.00 0.00 C ATOM 1435 OG1 THR A 94 12.926 16.403 0.007 1.00 0.00 O ATOM 1436 CG2 THR A 94 11.863 14.315 -0.306 1.00 0.00 C ATOM 0 H THR A 94 13.790 12.672 -0.292 1.00 0.00 H new ATOM 0 HA THR A 94 15.020 15.167 -1.409 1.00 0.00 H new ATOM 0 HB THR A 94 12.898 15.422 -1.829 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.021 16.773 -0.066 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.917 14.849 -0.400 1.00 0.00 H new ATOM 0 HG22 THR A 94 11.838 13.421 -0.929 1.00 0.00 H new ATOM 0 HG23 THR A 94 12.016 14.028 0.734 1.00 0.00 H new ATOM 1444 N SER A 95 14.526 14.672 1.791 1.00 0.00 N ATOM 1445 CA SER A 95 15.076 14.776 3.139 1.00 0.00 C ATOM 1446 C SER A 95 14.358 13.759 4.027 1.00 0.00 C ATOM 1447 O SER A 95 13.573 12.955 3.531 1.00 0.00 O ATOM 1448 CB SER A 95 14.932 16.224 3.653 1.00 0.00 C ATOM 1449 OG SER A 95 16.122 16.955 3.423 1.00 0.00 O ATOM 0 H SER A 95 13.516 14.527 1.803 1.00 0.00 H new ATOM 0 HA SER A 95 16.142 14.547 3.150 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.096 16.712 3.152 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.704 16.216 4.719 1.00 0.00 H new ATOM 0 HG SER A 95 16.012 17.871 3.753 1.00 0.00 H new ATOM 1455 N LYS A 96 14.640 13.783 5.333 1.00 0.00 N ATOM 1456 CA LYS A 96 13.941 13.032 6.368 1.00 0.00 C ATOM 1457 C LYS A 96 13.769 11.551 6.008 1.00 0.00 C ATOM 1458 O LYS A 96 12.665 11.016 6.054 1.00 0.00 O ATOM 1459 CB LYS A 96 12.659 13.783 6.753 1.00 0.00 C ATOM 1460 CG LYS A 96 11.918 13.196 7.963 1.00 0.00 C ATOM 1461 CD LYS A 96 12.797 12.719 9.125 1.00 0.00 C ATOM 1462 CE LYS A 96 11.956 12.025 10.195 1.00 0.00 C ATOM 1463 NZ LYS A 96 12.835 11.359 11.180 1.00 0.00 N ATOM 0 H LYS A 96 15.397 14.354 5.710 1.00 0.00 H new ATOM 0 HA LYS A 96 14.550 12.981 7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.911 14.822 6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.984 13.788 5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.228 13.950 8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.315 12.355 7.621 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.558 12.033 8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.321 13.569 9.563 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.320 12.754 10.698 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.296 11.292 9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.253 10.890 11.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.424 10.651 10.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.447 12.067 11.634 1.00 0.00 H new ATOM 1477 N MET A 97 14.885 10.881 5.695 1.00 0.00 N ATOM 1478 CA MET A 97 14.907 9.459 5.346 1.00 0.00 C ATOM 1479 C MET A 97 13.924 9.169 4.200 1.00 0.00 C ATOM 1480 O MET A 97 13.251 8.138 4.171 1.00 0.00 O ATOM 1481 CB MET A 97 14.705 8.624 6.632 1.00 0.00 C ATOM 1482 CG MET A 97 14.834 7.105 6.476 1.00 0.00 C ATOM 1483 SD MET A 97 16.286 6.556 5.546 1.00 0.00 S ATOM 1484 CE MET A 97 15.525 5.993 4.001 1.00 0.00 C ATOM 0 H MET A 97 15.807 11.317 5.677 1.00 0.00 H new ATOM 0 HA MET A 97 15.876 9.160 4.946 1.00 0.00 H new ATOM 0 HB2 MET A 97 15.431 8.956 7.374 1.00 0.00 H new ATOM 0 HB3 MET A 97 13.716 8.845 7.033 1.00 0.00 H new ATOM 0 HG2 MET A 97 14.864 6.654 7.468 1.00 0.00 H new ATOM 0 HG3 MET A 97 13.939 6.728 5.981 1.00 0.00 H new ATOM 0 HE1 MET A 97 16.267 5.466 3.401 1.00 0.00 H new ATOM 0 HE2 MET A 97 14.697 5.321 4.227 1.00 0.00 H new ATOM 0 HE3 MET A 97 15.153 6.853 3.444 1.00 0.00 H new ATOM 1494 N HIS A 98 13.820 10.102 3.249 1.00 0.00 N ATOM 1495 CA HIS A 98 12.723 10.263 2.308 1.00 0.00 C ATOM 1496 C HIS A 98 11.411 10.577 3.027 1.00 0.00 C ATOM 1497 O HIS A 98 10.768 11.577 2.712 1.00 0.00 O ATOM 1498 CB HIS A 98 12.541 9.084 1.386 1.00 0.00 C ATOM 1499 CG HIS A 98 11.708 9.503 0.209 1.00 0.00 C ATOM 1500 ND1 HIS A 98 11.629 8.778 -0.920 1.00 0.00 N flip ATOM 1501 CD2 HIS A 98 10.833 10.563 0.087 1.00 0.00 C flip ATOM 1502 CE1 HIS A 98 10.714 9.386 -1.777 1.00 0.00 C flip ATOM 1503 NE2 HIS A 98 10.240 10.453 -1.110 1.00 0.00 N flip ATOM 0 H HIS A 98 14.547 10.804 3.113 1.00 0.00 H new ATOM 0 HA HIS A 98 13.000 11.112 1.683 1.00 0.00 H new ATOM 0 HB2 HIS A 98 13.511 8.718 1.049 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.057 8.264 1.916 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.658 11.337 0.820 1.00 0.00 H new ATOM 0 HE1 HIS A 98 10.442 9.066 -2.772 1.00 0.00 H new ATOM 0 HE2 HIS A 98 9.528 11.091 -1.466 1.00 0.00 H new ATOM 1511 N LEU A 99 10.964 9.644 3.869 1.00 0.00 N ATOM 1512 CA LEU A 99 9.587 9.479 4.276 1.00 0.00 C ATOM 1513 C LEU A 99 9.534 9.254 5.781 1.00 0.00 C ATOM 1514 O LEU A 99 10.038 8.230 6.256 1.00 0.00 O ATOM 1515 CB LEU A 99 8.960 8.261 3.561 1.00 0.00 C ATOM 1516 CG LEU A 99 8.858 8.353 2.027 1.00 0.00 C ATOM 1517 CD1 LEU A 99 8.290 7.047 1.487 1.00 0.00 C ATOM 1518 CD2 LEU A 99 7.987 9.525 1.567 1.00 0.00 C ATOM 0 H LEU A 99 11.586 8.959 4.298 1.00 0.00 H new ATOM 0 HA LEU A 99 9.028 10.376 4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.545 7.377 3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.959 8.106 3.963 1.00 0.00 H new ATOM 0 HG LEU A 99 9.861 8.527 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.215 7.104 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.948 6.223 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.300 6.878 1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.948 9.544 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.979 9.407 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.413 10.460 1.931 1.00 0.00 H new ATOM 1530 N HIS A 100 8.902 10.158 6.540 1.00 0.00 N ATOM 1531 CA HIS A 100 8.678 9.929 7.963 1.00 0.00 C ATOM 1532 C HIS A 100 7.561 8.922 8.252 1.00 0.00 C ATOM 1533 O HIS A 100 7.610 8.259 9.291 1.00 0.00 O ATOM 1534 CB HIS A 100 8.513 11.234 8.759 1.00 0.00 C ATOM 1535 CG HIS A 100 8.478 11.033 10.261 1.00 0.00 C ATOM 1536 ND1 HIS A 100 9.304 10.221 10.993 1.00 0.00 N flip ATOM 1537 CD2 HIS A 100 7.566 11.582 11.136 1.00 0.00 C flip ATOM 1538 CE1 HIS A 100 8.911 10.308 12.332 1.00 0.00 C flip ATOM 1539 NE2 HIS A 100 7.843 11.122 12.368 1.00 0.00 N flip ATOM 0 H HIS A 100 8.541 11.046 6.191 1.00 0.00 H new ATOM 0 HA HIS A 100 9.594 9.462 8.324 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.334 11.907 8.511 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.592 11.726 8.446 1.00 0.00 H new ATOM 0 HD2 HIS A 100 6.768 12.263 10.877 1.00 0.00 H new ATOM 0 HE1 HIS A 100 9.376 9.816 13.174 1.00 0.00 H new ATOM 0 HE2 HIS A 100 7.317 11.357 13.210 1.00 0.00 H new ATOM 1547 N SER A 101 6.584 8.754 7.363 1.00 0.00 N ATOM 1548 CA SER A 101 5.535 7.766 7.571 1.00 0.00 C ATOM 1549 C SER A 101 4.846 7.385 6.272 1.00 0.00 C ATOM 1550 O SER A 101 5.025 8.019 5.228 1.00 0.00 O ATOM 1551 CB SER A 101 4.515 8.320 8.578 1.00 0.00 C ATOM 1552 OG SER A 101 3.933 9.521 8.113 1.00 0.00 O ATOM 0 H SER A 101 6.499 9.287 6.498 1.00 0.00 H new ATOM 0 HA SER A 101 5.992 6.858 7.966 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.735 7.579 8.753 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.006 8.498 9.535 1.00 0.00 H new ATOM 0 HG SER A 101 3.411 9.932 8.834 1.00 0.00 H new ATOM 1558 N VAL A 102 3.975 6.380 6.360 1.00 0.00 N ATOM 1559 CA VAL A 102 3.028 6.082 5.299 1.00 0.00 C ATOM 1560 C VAL A 102 2.155 7.317 5.038 1.00 0.00 C ATOM 1561 O VAL A 102 1.937 7.650 3.880 1.00 0.00 O ATOM 1562 CB VAL A 102 2.184 4.847 5.669 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.238 4.488 4.518 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.081 3.635 5.961 1.00 0.00 C ATOM 0 H VAL A 102 3.910 5.757 7.165 1.00 0.00 H new ATOM 0 HA VAL A 102 3.562 5.843 4.379 1.00 0.00 H new ATOM 0 HB VAL A 102 1.610 5.094 6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.647 3.614 4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.572 5.328 4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.821 4.267 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.460 2.777 6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.675 3.400 5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.745 3.866 6.794 1.00 0.00 H new ATOM 1574 N MET A 103 1.672 8.004 6.083 1.00 0.00 N ATOM 1575 CA MET A 103 0.825 9.184 5.926 1.00 0.00 C ATOM 1576 C MET A 103 1.526 10.230 5.061 1.00 0.00 C ATOM 1577 O MET A 103 0.944 10.705 4.083 1.00 0.00 O ATOM 1578 CB MET A 103 0.437 9.747 7.304 1.00 0.00 C ATOM 1579 CG MET A 103 -0.345 11.070 7.209 1.00 0.00 C ATOM 1580 SD MET A 103 -1.891 11.162 8.152 1.00 0.00 S ATOM 1581 CE MET A 103 -2.916 10.059 7.143 1.00 0.00 C ATOM 0 H MET A 103 1.859 7.755 7.054 1.00 0.00 H new ATOM 0 HA MET A 103 -0.095 8.900 5.415 1.00 0.00 H new ATOM 0 HB2 MET A 103 -0.166 9.011 7.835 1.00 0.00 H new ATOM 0 HB3 MET A 103 1.340 9.905 7.894 1.00 0.00 H new ATOM 0 HG2 MET A 103 0.307 11.877 7.543 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.573 11.258 6.160 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.914 9.993 7.576 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.985 10.453 6.129 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.466 9.067 7.117 1.00 0.00 H new ATOM 1591 N ASP A 104 2.779 10.548 5.391 1.00 0.00 N ATOM 1592 CA ASP A 104 3.514 11.567 4.640 1.00 0.00 C ATOM 1593 C ASP A 104 3.797 11.071 3.208 1.00 0.00 C ATOM 1594 O ASP A 104 3.818 11.882 2.281 1.00 0.00 O ATOM 1595 CB ASP A 104 4.798 12.045 5.368 1.00 0.00 C ATOM 1596 CG ASP A 104 4.663 13.447 5.979 1.00 0.00 C ATOM 1597 OD1 ASP A 104 3.618 13.769 6.586 1.00 0.00 O ATOM 1598 OD2 ASP A 104 5.580 14.282 5.774 1.00 0.00 O ATOM 0 H ASP A 104 3.299 10.123 6.159 1.00 0.00 H new ATOM 0 HA ASP A 104 2.880 12.451 4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.046 11.335 6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 104 5.630 12.042 4.663 1.00 0.00 H new ATOM 1603 N ALA A 105 3.945 9.753 2.998 1.00 0.00 N ATOM 1604 CA ALA A 105 4.197 9.138 1.694 1.00 0.00 C ATOM 1605 C ALA A 105 2.994 9.225 0.755 1.00 0.00 C ATOM 1606 O ALA A 105 3.183 9.512 -0.424 1.00 0.00 O ATOM 1607 CB ALA A 105 4.603 7.672 1.875 1.00 0.00 C ATOM 0 H ALA A 105 3.890 9.071 3.754 1.00 0.00 H new ATOM 0 HA ALA A 105 5.009 9.699 1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.788 7.223 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.509 7.617 2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.800 7.131 2.377 1.00 0.00 H new ATOM 1613 N ILE A 106 1.773 8.977 1.248 1.00 0.00 N ATOM 1614 CA ILE A 106 0.547 9.188 0.471 1.00 0.00 C ATOM 1615 C ILE A 106 0.539 10.637 -0.028 1.00 0.00 C ATOM 1616 O ILE A 106 0.163 10.899 -1.170 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.704 8.887 1.322 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.773 7.439 1.848 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -2.022 9.232 0.600 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -0.976 6.333 0.815 1.00 0.00 C ATOM 0 H ILE A 106 1.609 8.626 2.192 1.00 0.00 H new ATOM 0 HA ILE A 106 0.525 8.506 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.592 9.546 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.150 7.231 2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.587 7.380 2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.865 8.998 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.036 10.294 0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.098 8.648 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.006 5.366 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.915 6.497 0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.152 6.345 0.102 1.00 0.00 H new ATOM 1632 N ASP A 107 0.973 11.569 0.820 1.00 0.00 N ATOM 1633 CA ASP A 107 0.996 12.980 0.478 1.00 0.00 C ATOM 1634 C ASP A 107 2.053 13.269 -0.588 1.00 0.00 C ATOM 1635 O ASP A 107 1.751 13.936 -1.570 1.00 0.00 O ATOM 1636 CB ASP A 107 1.180 13.822 1.738 1.00 0.00 C ATOM 1637 CG ASP A 107 0.368 15.109 1.635 1.00 0.00 C ATOM 1638 OD1 ASP A 107 0.711 15.991 0.806 1.00 0.00 O ATOM 1639 OD2 ASP A 107 -0.600 15.262 2.406 1.00 0.00 O ATOM 0 H ASP A 107 1.316 11.363 1.758 1.00 0.00 H new ATOM 0 HA ASP A 107 0.037 13.258 0.040 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.865 13.254 2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.235 14.059 1.875 1.00 0.00 H new ATOM 1644 N PHE A 108 3.258 12.706 -0.441 1.00 0.00 N ATOM 1645 CA PHE A 108 4.352 12.833 -1.409 1.00 0.00 C ATOM 1646 C PHE A 108 3.925 12.325 -2.790 1.00 0.00 C ATOM 1647 O PHE A 108 4.170 12.974 -3.804 1.00 0.00 O ATOM 1648 CB PHE A 108 5.593 12.072 -0.915 1.00 0.00 C ATOM 1649 CG PHE A 108 6.773 12.123 -1.872 1.00 0.00 C ATOM 1650 CD1 PHE A 108 7.609 13.256 -1.889 1.00 0.00 C ATOM 1651 CD2 PHE A 108 7.038 11.049 -2.747 1.00 0.00 C ATOM 1652 CE1 PHE A 108 8.708 13.317 -2.763 1.00 0.00 C ATOM 1653 CE2 PHE A 108 8.137 11.115 -3.622 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.980 12.243 -3.629 1.00 0.00 C ATOM 0 H PHE A 108 3.504 12.139 0.370 1.00 0.00 H new ATOM 0 HA PHE A 108 4.604 13.889 -1.502 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.900 12.484 0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 108 5.323 11.030 -0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 108 7.404 14.084 -1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.399 10.178 -2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 108 9.344 14.190 -2.769 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.336 10.294 -4.294 1.00 0.00 H new ATOM 0 HZ PHE A 108 9.829 12.283 -4.295 1.00 0.00 H new ATOM 1664 N LEU A 109 3.252 11.173 -2.832 1.00 0.00 N ATOM 1665 CA LEU A 109 2.653 10.596 -4.036 1.00 0.00 C ATOM 1666 C LEU A 109 1.705 11.572 -4.732 1.00 0.00 C ATOM 1667 O LEU A 109 1.637 11.604 -5.962 1.00 0.00 O ATOM 1668 CB LEU A 109 1.916 9.298 -3.650 1.00 0.00 C ATOM 1669 CG LEU A 109 2.908 8.134 -3.483 1.00 0.00 C ATOM 1670 CD1 LEU A 109 2.418 7.043 -2.532 1.00 0.00 C ATOM 1671 CD2 LEU A 109 3.134 7.510 -4.854 1.00 0.00 C ATOM 0 H LEU A 109 3.105 10.598 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 109 3.448 10.376 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.367 9.449 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.183 9.049 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 109 3.821 8.544 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.169 6.256 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.250 7.471 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.485 6.623 -2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.835 6.680 -4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.186 7.144 -5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.543 8.259 -5.532 1.00 0.00 H new ATOM 1683 N ASN A 110 0.984 12.370 -3.950 1.00 0.00 N ATOM 1684 CA ASN A 110 0.072 13.411 -4.414 1.00 0.00 C ATOM 1685 C ASN A 110 0.775 14.763 -4.614 1.00 0.00 C ATOM 1686 O ASN A 110 0.130 15.739 -4.992 1.00 0.00 O ATOM 1687 CB ASN A 110 -1.068 13.555 -3.405 1.00 0.00 C ATOM 1688 CG ASN A 110 -2.140 12.485 -3.563 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -3.122 12.683 -4.270 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -2.050 11.372 -2.860 1.00 0.00 N ATOM 0 H ASN A 110 1.021 12.306 -2.933 1.00 0.00 H new ATOM 0 HA ASN A 110 -0.315 13.111 -5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.660 13.507 -2.395 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.524 14.538 -3.518 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -2.796 10.678 -2.905 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.234 11.205 -2.271 1.00 0.00 H new ATOM 1697 N ALA A 111 2.080 14.856 -4.373 1.00 0.00 N ATOM 1698 CA ALA A 111 2.896 16.061 -4.524 1.00 0.00 C ATOM 1699 C ALA A 111 3.920 15.932 -5.661 1.00 0.00 C ATOM 1700 O ALA A 111 4.741 16.832 -5.855 1.00 0.00 O ATOM 1701 CB ALA A 111 3.584 16.367 -3.191 1.00 0.00 C ATOM 0 H ALA A 111 2.625 14.056 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 111 2.242 16.889 -4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.195 17.264 -3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.830 16.528 -2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.218 15.527 -2.908 1.00 0.00 H new ATOM 1707 N LEU A 112 3.904 14.818 -6.400 1.00 0.00 N ATOM 1708 CA LEU A 112 4.623 14.680 -7.662 1.00 0.00 C ATOM 1709 C LEU A 112 3.871 15.415 -8.769 1.00 0.00 C ATOM 1710 O LEU A 112 4.482 16.077 -9.605 1.00 0.00 O ATOM 1711 CB LEU A 112 4.806 13.198 -8.029 1.00 0.00 C ATOM 1712 CG LEU A 112 5.621 12.368 -7.016 1.00 0.00 C ATOM 1713 CD1 LEU A 112 6.090 11.054 -7.648 1.00 0.00 C ATOM 1714 CD2 LEU A 112 6.842 13.119 -6.475 1.00 0.00 C ATOM 0 H LEU A 112 3.385 13.981 -6.133 1.00 0.00 H new ATOM 0 HA LEU A 112 5.613 15.123 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.822 12.743 -8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 112 5.295 13.138 -9.001 1.00 0.00 H new ATOM 0 HG LEU A 112 4.950 12.169 -6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.663 10.483 -6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.224 10.473 -7.964 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.717 11.270 -8.513 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.375 12.484 -5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 112 7.505 13.379 -7.301 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.516 14.029 -5.972 1.00 0.00 H new ATOM 1726 N GLU A 113 2.542 15.337 -8.746 1.00 0.00 N ATOM 1727 CA GLU A 113 1.648 16.131 -9.578 1.00 0.00 C ATOM 1728 C GLU A 113 1.730 17.619 -9.185 1.00 0.00 C ATOM 1729 O GLU A 113 2.228 17.973 -8.107 1.00 0.00 O ATOM 1730 CB GLU A 113 0.218 15.554 -9.473 1.00 0.00 C ATOM 1731 CG GLU A 113 -0.305 15.487 -8.028 1.00 0.00 C ATOM 1732 CD GLU A 113 -1.593 14.677 -7.878 1.00 0.00 C ATOM 1733 OE1 GLU A 113 -1.498 13.433 -7.747 1.00 0.00 O ATOM 1734 OE2 GLU A 113 -2.689 15.279 -7.833 1.00 0.00 O ATOM 0 H GLU A 113 2.044 14.698 -8.127 1.00 0.00 H new ATOM 0 HA GLU A 113 1.950 16.076 -10.624 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.458 16.167 -10.069 1.00 0.00 H new ATOM 0 HB3 GLU A 113 0.205 14.553 -9.904 1.00 0.00 H new ATOM 0 HG2 GLU A 113 0.465 15.050 -7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.479 16.500 -7.667 1.00 0.00 H new ATOM 1741 N GLY A 114 1.249 18.510 -10.054 1.00 0.00 N ATOM 1742 CA GLY A 114 1.350 19.952 -9.882 1.00 0.00 C ATOM 1743 C GLY A 114 1.039 20.622 -11.197 1.00 0.00 C ATOM 1744 O GLY A 114 -0.156 20.887 -11.440 1.00 0.00 O ATOM 0 H GLY A 114 0.770 18.239 -10.913 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.655 20.290 -9.113 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.352 20.223 -9.548 1.00 0.00 H new TER 1748 GLY A 114