USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1055 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 77 GLN : amide:sc= 0.646 K(o=2.4,f=1.2) USER MOD Set 1.2: A 79 HIS : no HE2:sc= 0.917 K(o=2.4,f=-4.2) USER MOD Set 1.3: A 98 SER OG : rot 180:sc= 0.345 USER MOD Set 1.4: A 100 LYS NZ :NH3+ 163:sc= 0.476 (180deg=0) USER MOD Set 2.1: A 66 TYR OH : rot 180:sc= -0.0609 USER MOD Set 2.2: A 70 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1.22) USER MOD Set 3.1: A 37 LYS NZ :NH3+ -172:sc= 0.919 (180deg=0) USER MOD Set 3.2: A 116 GLN : amide:sc= 0.808 K(o=1.7,f=-5.6!) USER MOD Set 4.1: A 28 SER OG : rot 19:sc= 0.708 USER MOD Set 4.2: A 30 GLN : amide:sc= 0.748 X(o=1.5,f=1.1) USER MOD Set 5.1: A 10 GLN : amide:sc= 0.928 K(o=1.1,f=-0.011) USER MOD Set 5.2: A 16 THR OG1 : rot 153:sc= 0.181 USER MOD Single : A 0 MET CE :methyl 174:sc= 0 (180deg=-0.0543) USER MOD Single : A 6 ASN : amide:sc= 0.101 K(o=0.1,f=-0.52) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A -5 TYR OH : rot 180:sc= -0.0385 USER MOD Single : A 12 MET CE :methyl -175:sc= 0 (180deg=-0.0281) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.18 USER MOD Single : A 24 GLN : amide:sc= 0.7 K(o=0.7,f=-5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 1.1 (180deg=0.995) USER MOD Single : A 46 SER OG : rot 68:sc= 0.538 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.22) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 149:sc= -0.0917 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= 1.04 (180deg=0.994) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.816 K(o=0.82,f=0) USER MOD Single : A 68 MET CE :methyl -177:sc= -0.0125 (180deg=-0.0345) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0.653 USER MOD Single : A 76 LYS NZ :NH3+ -147:sc= 1.2 (180deg=0.533) USER MOD Single : A 78 GLN : amide:sc= 1.59 K(o=1.6,f=-5!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0.0435 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A -11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -11 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.0671 K(o=-0.067,f=-2!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 106 TYR OH : rot -18:sc= 1.26 USER MOD Single : A 107 THR OG1 : rot 133:sc= 0.667 USER MOD Single : A 108 MET CE :methyl 177:sc= -0.0265 (180deg=-0.0297) USER MOD Single : A 109 MET CE :methyl -126:sc= -0.0071 (180deg=-0.347) USER MOD Single : A 111 SER OG : rot 77:sc= 0.733 USER MOD Single : A 112 MET CE :methyl -162:sc= -0.0609 (180deg=-1.01) USER MOD Single : A 113 THR OG1 : rot 109:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 118 MET CE :methyl -174:sc= 0 (180deg=-0.0262) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -11 3.801 -2.118 19.986 1.00 0.00 N ATOM 2 CA MET A -11 3.755 -2.661 18.603 1.00 0.00 C ATOM 3 C MET A -11 2.337 -2.554 18.026 1.00 0.00 C ATOM 4 O MET A -11 1.424 -3.189 18.565 1.00 0.00 O ATOM 5 CB MET A -11 4.278 -4.113 18.557 1.00 0.00 C ATOM 6 CG MET A -11 4.229 -4.748 17.159 1.00 0.00 C ATOM 7 SD MET A -11 5.325 -3.972 15.936 1.00 0.00 S ATOM 8 CE MET A -11 4.791 -4.861 14.448 1.00 0.00 C ATOM 0 H1 MET A -11 4.768 -2.199 20.359 1.00 0.00 H new ATOM 0 H2 MET A -11 3.517 -1.118 19.976 1.00 0.00 H new ATOM 0 H3 MET A -11 3.150 -2.657 20.592 1.00 0.00 H new ATOM 0 HA MET A -11 4.415 -2.059 17.978 1.00 0.00 H new ATOM 0 HB2 MET A -11 5.307 -4.130 18.917 1.00 0.00 H new ATOM 0 HB3 MET A -11 3.690 -4.723 19.243 1.00 0.00 H new ATOM 0 HG2 MET A -11 4.491 -5.803 17.244 1.00 0.00 H new ATOM 0 HG3 MET A -11 3.205 -4.703 16.790 1.00 0.00 H new ATOM 0 HE1 MET A -11 5.363 -4.510 13.589 1.00 0.00 H new ATOM 0 HE2 MET A -11 4.958 -5.930 14.583 1.00 0.00 H new ATOM 0 HE3 MET A -11 3.730 -4.679 14.276 1.00 0.00 H new ATOM 20 N PRO A -10 2.115 -1.772 16.949 1.00 0.00 N ATOM 21 CA PRO A -10 0.814 -1.692 16.281 1.00 0.00 C ATOM 22 C PRO A -10 0.446 -3.015 15.590 1.00 0.00 C ATOM 23 O PRO A -10 1.287 -3.669 14.969 1.00 0.00 O ATOM 24 CB PRO A -10 0.940 -0.539 15.276 1.00 0.00 C ATOM 25 CG PRO A -10 2.426 -0.554 14.923 1.00 0.00 C ATOM 26 CD PRO A -10 3.084 -0.934 16.248 1.00 0.00 C ATOM 0 HA PRO A -10 0.010 -1.512 16.994 1.00 0.00 H new ATOM 0 HB2 PRO A -10 0.315 -0.699 14.398 1.00 0.00 H new ATOM 0 HB3 PRO A -10 0.638 0.413 15.713 1.00 0.00 H new ATOM 0 HG2 PRO A -10 2.648 -1.278 14.139 1.00 0.00 H new ATOM 0 HG3 PRO A -10 2.767 0.418 14.566 1.00 0.00 H new ATOM 0 HD2 PRO A -10 4.017 -1.472 16.081 1.00 0.00 H new ATOM 0 HD3 PRO A -10 3.328 -0.047 16.832 1.00 0.00 H new ATOM 34 N ARG A -9 -0.835 -3.396 15.655 1.00 0.00 N ATOM 35 CA ARG A -9 -1.378 -4.630 15.048 1.00 0.00 C ATOM 36 C ARG A -9 -1.514 -4.574 13.516 1.00 0.00 C ATOM 37 O ARG A -9 -1.815 -5.587 12.888 1.00 0.00 O ATOM 38 CB ARG A -9 -2.699 -5.030 15.739 1.00 0.00 C ATOM 39 CG ARG A -9 -2.534 -5.702 17.115 1.00 0.00 C ATOM 40 CD ARG A -9 -1.937 -4.805 18.210 1.00 0.00 C ATOM 41 NE ARG A -9 -2.052 -5.446 19.535 1.00 0.00 N ATOM 42 CZ ARG A -9 -1.186 -5.409 20.533 1.00 0.00 C ATOM 43 NH1 ARG A -9 -0.056 -4.761 20.473 1.00 0.00 N ATOM 44 NH2 ARG A -9 -1.448 -6.039 21.643 1.00 0.00 N ATOM 0 H ARG A -9 -1.544 -2.847 16.141 1.00 0.00 H new ATOM 0 HA ARG A -9 -0.640 -5.413 15.224 1.00 0.00 H new ATOM 0 HB2 ARG A -9 -3.314 -4.138 15.858 1.00 0.00 H new ATOM 0 HB3 ARG A -9 -3.244 -5.708 15.083 1.00 0.00 H new ATOM 0 HG2 ARG A -9 -3.509 -6.056 17.449 1.00 0.00 H new ATOM 0 HG3 ARG A -9 -1.899 -6.580 17.000 1.00 0.00 H new ATOM 0 HD2 ARG A -9 -0.889 -4.603 17.989 1.00 0.00 H new ATOM 0 HD3 ARG A -9 -2.452 -3.844 18.220 1.00 0.00 H new ATOM 0 HE ARG A -9 -2.903 -5.983 19.700 1.00 0.00 H new ATOM 0 HH11 ARG A -9 0.195 -4.250 19.626 1.00 0.00 H new ATOM 0 HH12 ARG A -9 0.577 -4.765 21.273 1.00 0.00 H new ATOM 0 HH21 ARG A -9 -2.320 -6.559 21.741 1.00 0.00 H new ATOM 0 HH22 ARG A -9 -0.781 -6.012 22.414 1.00 0.00 H new ATOM 58 N PHE A -8 -1.250 -3.418 12.902 1.00 0.00 N ATOM 59 CA PHE A -8 -1.220 -3.244 11.447 1.00 0.00 C ATOM 60 C PHE A -8 -0.347 -4.227 10.648 1.00 0.00 C ATOM 61 O PHE A -8 -0.806 -4.856 9.692 1.00 0.00 O ATOM 62 CB PHE A -8 -0.926 -1.774 11.088 1.00 0.00 C ATOM 63 CG PHE A -8 -0.514 -1.565 9.642 1.00 0.00 C ATOM 64 CD1 PHE A -8 -1.491 -1.593 8.629 1.00 0.00 C ATOM 65 CD2 PHE A -8 0.847 -1.421 9.298 1.00 0.00 C ATOM 66 CE1 PHE A -8 -1.110 -1.502 7.280 1.00 0.00 C ATOM 67 CE2 PHE A -8 1.226 -1.329 7.948 1.00 0.00 C ATOM 68 CZ PHE A -8 0.248 -1.379 6.938 1.00 0.00 C ATOM 0 H PHE A -8 -1.047 -2.559 13.413 1.00 0.00 H new ATOM 0 HA PHE A -8 -2.225 -3.511 11.119 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.814 -1.176 11.293 1.00 0.00 H new ATOM 0 HB3 PHE A -8 -0.134 -1.403 11.739 1.00 0.00 H new ATOM 0 HD1 PHE A -8 -2.535 -1.685 8.889 1.00 0.00 H new ATOM 0 HD2 PHE A -8 1.598 -1.381 10.073 1.00 0.00 H new ATOM 0 HE1 PHE A -8 -1.861 -1.527 6.505 1.00 0.00 H new ATOM 0 HE2 PHE A -8 2.268 -1.220 7.686 1.00 0.00 H new ATOM 0 HZ PHE A -8 0.540 -1.323 5.900 1.00 0.00 H new ATOM 78 N TRP A -7 0.920 -4.372 11.055 1.00 0.00 N ATOM 79 CA TRP A -7 1.920 -5.082 10.254 1.00 0.00 C ATOM 80 C TRP A -7 1.706 -6.598 10.158 1.00 0.00 C ATOM 81 O TRP A -7 1.940 -7.165 9.095 1.00 0.00 O ATOM 82 CB TRP A -7 3.333 -4.723 10.725 1.00 0.00 C ATOM 83 CG TRP A -7 4.437 -5.415 9.982 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.021 -6.581 10.347 1.00 0.00 C ATOM 85 CD2 TRP A -7 4.892 -5.168 8.612 1.00 0.00 C ATOM 86 NE1 TRP A -7 5.893 -6.999 9.360 1.00 0.00 N ATOM 87 CE2 TRP A -7 5.837 -6.178 8.255 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.600 -4.192 7.632 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.473 -6.209 7.004 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.240 -4.210 6.376 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.173 -5.212 6.060 1.00 0.00 C ATOM 0 H TRP A -7 1.276 -4.005 11.938 1.00 0.00 H new ATOM 0 HA TRP A -7 1.790 -4.734 9.229 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.470 -3.646 10.631 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.420 -4.964 11.784 1.00 0.00 H new ATOM 0 HD1 TRP A -7 4.833 -7.106 11.272 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.502 -7.813 9.440 1.00 0.00 H new ATOM 0 HE3 TRP A -7 3.876 -3.421 7.849 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.183 -6.988 6.770 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.011 -3.445 5.649 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.658 -5.216 5.095 1.00 0.00 H new ATOM 102 N GLU A -6 1.203 -7.266 11.203 1.00 0.00 N ATOM 103 CA GLU A -6 0.895 -8.706 11.117 1.00 0.00 C ATOM 104 C GLU A -6 -0.229 -9.003 10.106 1.00 0.00 C ATOM 105 O GLU A -6 -0.180 -10.019 9.408 1.00 0.00 O ATOM 106 CB GLU A -6 0.612 -9.314 12.501 1.00 0.00 C ATOM 107 CG GLU A -6 -0.559 -8.696 13.281 1.00 0.00 C ATOM 108 CD GLU A -6 -0.867 -9.427 14.609 1.00 0.00 C ATOM 109 OE1 GLU A -6 -0.218 -10.450 14.943 1.00 0.00 O ATOM 110 OE2 GLU A -6 -1.778 -8.974 15.342 1.00 0.00 O ATOM 0 H GLU A -6 1.001 -6.843 12.109 1.00 0.00 H new ATOM 0 HA GLU A -6 1.789 -9.198 10.734 1.00 0.00 H new ATOM 0 HB2 GLU A -6 0.417 -10.379 12.375 1.00 0.00 H new ATOM 0 HB3 GLU A -6 1.514 -9.224 13.107 1.00 0.00 H new ATOM 0 HG2 GLU A -6 -0.333 -7.651 13.494 1.00 0.00 H new ATOM 0 HG3 GLU A -6 -1.450 -8.708 12.653 1.00 0.00 H new ATOM 117 N TYR A -5 -1.197 -8.090 9.961 1.00 0.00 N ATOM 118 CA TYR A -5 -2.180 -8.125 8.874 1.00 0.00 C ATOM 119 C TYR A -5 -1.630 -7.815 7.478 1.00 0.00 C ATOM 120 O TYR A -5 -1.958 -8.493 6.503 1.00 0.00 O ATOM 121 CB TYR A -5 -3.434 -7.305 9.213 1.00 0.00 C ATOM 122 CG TYR A -5 -4.374 -7.997 10.176 1.00 0.00 C ATOM 123 CD1 TYR A -5 -5.147 -9.086 9.729 1.00 0.00 C ATOM 124 CD2 TYR A -5 -4.468 -7.568 11.513 1.00 0.00 C ATOM 125 CE1 TYR A -5 -5.998 -9.762 10.623 1.00 0.00 C ATOM 126 CE2 TYR A -5 -5.329 -8.232 12.408 1.00 0.00 C ATOM 127 CZ TYR A -5 -6.088 -9.339 11.969 1.00 0.00 C ATOM 128 OH TYR A -5 -6.910 -9.984 12.842 1.00 0.00 O ATOM 0 H TYR A -5 -1.320 -7.303 10.598 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.474 -9.172 8.804 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -3.128 -6.351 9.641 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.972 -7.083 8.291 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -5.087 -9.403 8.698 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -3.879 -6.729 11.853 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -6.582 -10.604 10.281 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -5.409 -7.894 13.431 1.00 0.00 H new ATOM 0 HH TYR A -5 -6.847 -9.561 13.724 1.00 0.00 H new ATOM 138 N TRP A -4 -0.753 -6.813 7.381 1.00 0.00 N ATOM 139 CA TRP A -4 -0.136 -6.402 6.117 1.00 0.00 C ATOM 140 C TRP A -4 0.850 -7.454 5.589 1.00 0.00 C ATOM 141 O TRP A -4 0.882 -7.723 4.391 1.00 0.00 O ATOM 142 CB TRP A -4 0.556 -5.053 6.330 1.00 0.00 C ATOM 143 CG TRP A -4 0.960 -4.409 5.048 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.116 -4.635 4.387 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.090 -3.719 4.099 1.00 0.00 C ATOM 146 NE1 TRP A -4 2.050 -4.056 3.136 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.813 -3.506 2.890 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.253 -3.287 4.129 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.244 -2.884 1.772 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.839 -2.666 3.011 1.00 0.00 C ATOM 151 CH2 TRP A -4 -1.095 -2.462 1.833 1.00 0.00 C ATOM 0 H TRP A -4 -0.449 -6.260 8.182 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.912 -6.305 5.358 1.00 0.00 H new ATOM 0 HB2 TRP A -4 -0.114 -4.386 6.872 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.438 -5.195 6.955 1.00 0.00 H new ATOM 0 HD1 TRP A -4 2.961 -5.184 4.777 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.825 -4.038 2.473 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.840 -3.435 5.024 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.826 -2.731 0.875 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.869 -2.343 3.057 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.552 -1.983 0.980 1.00 0.00 H new ATOM 162 N LEU A -3 1.604 -8.129 6.460 1.00 0.00 N ATOM 163 CA LEU A -3 2.501 -9.221 6.085 1.00 0.00 C ATOM 164 C LEU A -3 1.752 -10.402 5.435 1.00 0.00 C ATOM 165 O LEU A -3 2.277 -11.039 4.520 1.00 0.00 O ATOM 166 CB LEU A -3 3.274 -9.646 7.347 1.00 0.00 C ATOM 167 CG LEU A -3 4.395 -10.669 7.098 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.539 -10.044 6.298 1.00 0.00 C ATOM 169 CD2 LEU A -3 4.957 -11.155 8.434 1.00 0.00 C ATOM 0 H LEU A -3 1.607 -7.928 7.460 1.00 0.00 H new ATOM 0 HA LEU A -3 3.198 -8.877 5.321 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.706 -8.758 7.808 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.569 -10.067 8.064 1.00 0.00 H new ATOM 0 HG LEU A -3 3.970 -11.500 6.534 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.319 -10.788 6.136 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.163 -9.697 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A -3 5.952 -9.201 6.852 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.751 -11.880 8.253 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.359 -10.308 8.989 1.00 0.00 H new ATOM 0 HD23 LEU A -3 4.162 -11.625 9.014 1.00 0.00 H new ATOM 181 N ARG A -2 0.500 -10.654 5.847 1.00 0.00 N ATOM 182 CA ARG A -2 -0.360 -11.717 5.303 1.00 0.00 C ATOM 183 C ARG A -2 -0.791 -11.453 3.855 1.00 0.00 C ATOM 184 O ARG A -2 -1.074 -12.407 3.135 1.00 0.00 O ATOM 185 CB ARG A -2 -1.535 -11.943 6.272 1.00 0.00 C ATOM 186 CG ARG A -2 -2.495 -13.092 5.918 1.00 0.00 C ATOM 187 CD ARG A -2 -1.798 -14.455 5.786 1.00 0.00 C ATOM 188 NE ARG A -2 -2.761 -15.571 5.879 1.00 0.00 N ATOM 189 CZ ARG A -2 -2.623 -16.789 5.380 1.00 0.00 C ATOM 190 NH1 ARG A -2 -1.593 -17.169 4.687 1.00 0.00 N ATOM 191 NH2 ARG A -2 -3.531 -17.696 5.589 1.00 0.00 N ATOM 0 H ARG A -2 0.047 -10.113 6.584 1.00 0.00 H new ATOM 0 HA ARG A -2 0.210 -12.644 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -1.128 -12.130 7.266 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.112 -11.020 6.332 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -3.266 -13.160 6.685 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -2.999 -12.858 4.980 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -1.274 -14.505 4.832 1.00 0.00 H new ATOM 0 HD3 ARG A -2 -1.046 -14.557 6.568 1.00 0.00 H new ATOM 0 HE ARG A -2 -3.627 -15.382 6.383 1.00 0.00 H new ATOM 0 HH11 ARG A -2 -0.833 -16.514 4.501 1.00 0.00 H new ATOM 0 HH12 ARG A -2 -1.543 -18.123 4.328 1.00 0.00 H new ATOM 0 HH21 ARG A -2 -4.358 -17.471 6.142 1.00 0.00 H new ATOM 0 HH22 ARG A -2 -3.416 -18.632 5.200 1.00 0.00 H new ATOM 205 N LEU A -1 -0.756 -10.197 3.390 1.00 0.00 N ATOM 206 CA LEU A -1 -0.927 -9.871 1.969 1.00 0.00 C ATOM 207 C LEU A -1 0.205 -10.477 1.134 1.00 0.00 C ATOM 208 O LEU A -1 -0.059 -11.280 0.239 1.00 0.00 O ATOM 209 CB LEU A -1 -0.951 -8.351 1.745 1.00 0.00 C ATOM 210 CG LEU A -1 -2.210 -7.626 2.224 1.00 0.00 C ATOM 211 CD1 LEU A -1 -1.934 -6.132 2.154 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.410 -7.921 1.323 1.00 0.00 C ATOM 0 H LEU A -1 -0.609 -9.382 3.986 1.00 0.00 H new ATOM 0 HA LEU A -1 -1.881 -10.293 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -0.089 -7.915 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -0.827 -8.158 0.679 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.444 -7.962 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -2.814 -5.583 2.490 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -1.088 -5.888 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -1.702 -5.853 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.285 -7.388 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.191 -7.593 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.610 -8.992 1.323 1.00 0.00 H new ATOM 224 N MET A 0 1.462 -10.118 1.420 1.00 0.00 N ATOM 225 CA MET A 0 2.592 -10.585 0.609 1.00 0.00 C ATOM 226 C MET A 0 2.844 -12.093 0.795 1.00 0.00 C ATOM 227 O MET A 0 3.210 -12.784 -0.154 1.00 0.00 O ATOM 228 CB MET A 0 3.854 -9.748 0.882 1.00 0.00 C ATOM 229 CG MET A 0 4.481 -9.946 2.270 1.00 0.00 C ATOM 230 SD MET A 0 6.063 -9.093 2.520 1.00 0.00 S ATOM 231 CE MET A 0 5.472 -7.393 2.708 1.00 0.00 C ATOM 0 H MET A 0 1.721 -9.512 2.199 1.00 0.00 H new ATOM 0 HA MET A 0 2.329 -10.441 -0.439 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.601 -9.989 0.126 1.00 0.00 H new ATOM 0 HB3 MET A 0 3.605 -8.694 0.760 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.775 -9.600 3.025 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.629 -11.013 2.437 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.307 -6.745 2.976 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.036 -7.053 1.768 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.717 -7.355 3.493 1.00 0.00 H new ATOM 241 N GLU A 1 2.611 -12.618 2.003 1.00 0.00 N ATOM 242 CA GLU A 1 2.800 -14.032 2.341 1.00 0.00 C ATOM 243 C GLU A 1 1.696 -14.940 1.763 1.00 0.00 C ATOM 244 O GLU A 1 1.992 -16.059 1.340 1.00 0.00 O ATOM 245 CB GLU A 1 2.935 -14.130 3.872 1.00 0.00 C ATOM 246 CG GLU A 1 3.230 -15.539 4.405 1.00 0.00 C ATOM 247 CD GLU A 1 1.989 -16.407 4.701 1.00 0.00 C ATOM 248 OE1 GLU A 1 0.842 -15.911 4.621 1.00 0.00 O ATOM 249 OE2 GLU A 1 2.169 -17.595 5.059 1.00 0.00 O ATOM 0 H GLU A 1 2.279 -12.059 2.789 1.00 0.00 H new ATOM 0 HA GLU A 1 3.710 -14.407 1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.732 -13.461 4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.012 -13.771 4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.853 -16.061 3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.816 -15.448 5.320 1.00 0.00 H new ATOM 256 N GLY A 2 0.451 -14.456 1.676 1.00 0.00 N ATOM 257 CA GLY A 2 -0.700 -15.170 1.102 1.00 0.00 C ATOM 258 C GLY A 2 -0.946 -14.924 -0.395 1.00 0.00 C ATOM 259 O GLY A 2 -1.860 -15.520 -0.969 1.00 0.00 O ATOM 0 H GLY A 2 0.207 -13.525 2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.558 -16.239 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.596 -14.883 1.652 1.00 0.00 H new ATOM 263 N GLY A 3 -0.149 -14.064 -1.039 1.00 0.00 N ATOM 264 CA GLY A 3 -0.350 -13.544 -2.402 1.00 0.00 C ATOM 265 C GLY A 3 -0.052 -14.508 -3.562 1.00 0.00 C ATOM 266 O GLY A 3 0.412 -14.071 -4.616 1.00 0.00 O ATOM 0 H GLY A 3 0.696 -13.692 -0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.385 -13.215 -2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 3 0.277 -12.661 -2.525 1.00 0.00 H new ATOM 270 N GLY A 4 -0.291 -15.812 -3.388 1.00 0.00 N ATOM 271 CA GLY A 4 -0.001 -16.886 -4.351 1.00 0.00 C ATOM 272 C GLY A 4 -0.974 -16.980 -5.539 1.00 0.00 C ATOM 273 O GLY A 4 -1.453 -18.070 -5.846 1.00 0.00 O ATOM 0 H GLY A 4 -0.713 -16.167 -2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.008 -16.742 -4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.006 -17.839 -3.821 1.00 0.00 H new ATOM 277 N GLU A 5 -1.305 -15.844 -6.165 1.00 0.00 N ATOM 278 CA GLU A 5 -2.185 -15.676 -7.346 1.00 0.00 C ATOM 279 C GLU A 5 -3.568 -16.372 -7.265 1.00 0.00 C ATOM 280 O GLU A 5 -4.190 -16.685 -8.281 1.00 0.00 O ATOM 281 CB GLU A 5 -1.424 -15.919 -8.669 1.00 0.00 C ATOM 282 CG GLU A 5 -0.944 -17.360 -8.912 1.00 0.00 C ATOM 283 CD GLU A 5 -0.340 -17.589 -10.317 1.00 0.00 C ATOM 284 OE1 GLU A 5 -0.300 -16.659 -11.162 1.00 0.00 O ATOM 285 OE2 GLU A 5 0.114 -18.727 -10.590 1.00 0.00 O ATOM 0 H GLU A 5 -0.942 -14.947 -5.842 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.469 -14.624 -7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.071 -15.627 -9.497 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.557 -15.259 -8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.198 -17.616 -8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.784 -18.041 -8.772 1.00 0.00 H new ATOM 292 N ASN A 6 -4.072 -16.591 -6.045 1.00 0.00 N ATOM 293 CA ASN A 6 -5.326 -17.300 -5.745 1.00 0.00 C ATOM 294 C ASN A 6 -6.629 -16.554 -6.119 1.00 0.00 C ATOM 295 O ASN A 6 -7.716 -17.130 -6.034 1.00 0.00 O ATOM 296 CB ASN A 6 -5.312 -17.764 -4.273 1.00 0.00 C ATOM 297 CG ASN A 6 -4.806 -16.711 -3.297 1.00 0.00 C ATOM 298 OD1 ASN A 6 -5.274 -15.582 -3.262 1.00 0.00 O ATOM 299 ND2 ASN A 6 -3.818 -17.042 -2.497 1.00 0.00 N ATOM 0 H ASN A 6 -3.598 -16.266 -5.202 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.351 -18.165 -6.408 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -6.322 -18.056 -3.985 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -4.687 -18.653 -4.189 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.439 -16.356 -1.844 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.430 -17.985 -2.529 1.00 0.00 H new ATOM 306 N LEU A 7 -6.546 -15.290 -6.556 1.00 0.00 N ATOM 307 CA LEU A 7 -7.689 -14.468 -6.973 1.00 0.00 C ATOM 308 C LEU A 7 -8.161 -14.775 -8.414 1.00 0.00 C ATOM 309 O LEU A 7 -8.181 -13.904 -9.285 1.00 0.00 O ATOM 310 CB LEU A 7 -7.367 -12.984 -6.703 1.00 0.00 C ATOM 311 CG LEU A 7 -8.588 -12.042 -6.775 1.00 0.00 C ATOM 312 CD1 LEU A 7 -9.598 -12.319 -5.660 1.00 0.00 C ATOM 313 CD2 LEU A 7 -8.125 -10.600 -6.619 1.00 0.00 C ATOM 0 H LEU A 7 -5.656 -14.798 -6.631 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.559 -14.728 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.914 -12.897 -5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.622 -12.649 -7.425 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.066 -12.213 -7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.439 -11.632 -5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.957 -13.345 -5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.118 -12.178 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.986 -9.934 -6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.629 -10.479 -5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.428 -10.353 -7.420 1.00 0.00 H new ATOM 325 N TYR A 8 -8.530 -16.033 -8.665 1.00 0.00 N ATOM 326 CA TYR A 8 -9.173 -16.509 -9.903 1.00 0.00 C ATOM 327 C TYR A 8 -10.705 -16.666 -9.888 1.00 0.00 C ATOM 328 O TYR A 8 -11.326 -16.931 -10.920 1.00 0.00 O ATOM 329 CB TYR A 8 -8.425 -17.716 -10.494 1.00 0.00 C ATOM 330 CG TYR A 8 -7.985 -18.757 -9.477 1.00 0.00 C ATOM 331 CD1 TYR A 8 -8.948 -19.543 -8.813 1.00 0.00 C ATOM 332 CD2 TYR A 8 -6.617 -18.938 -9.192 1.00 0.00 C ATOM 333 CE1 TYR A 8 -8.546 -20.504 -7.866 1.00 0.00 C ATOM 334 CE2 TYR A 8 -6.210 -19.906 -8.253 1.00 0.00 C ATOM 335 CZ TYR A 8 -7.176 -20.688 -7.581 1.00 0.00 C ATOM 336 OH TYR A 8 -6.794 -21.621 -6.667 1.00 0.00 O ATOM 0 H TYR A 8 -8.386 -16.782 -7.988 1.00 0.00 H new ATOM 0 HA TYR A 8 -9.066 -15.672 -10.594 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -9.068 -18.198 -11.231 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -7.545 -17.355 -11.026 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.997 -19.408 -9.031 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.878 -18.332 -9.695 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -9.287 -21.102 -7.357 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.160 -20.050 -8.047 1.00 0.00 H new ATOM 0 HH TYR A 8 -5.817 -21.622 -6.589 1.00 0.00 H new ATOM 346 N PHE A 9 -11.314 -16.516 -8.709 1.00 0.00 N ATOM 347 CA PHE A 9 -12.734 -16.761 -8.439 1.00 0.00 C ATOM 348 C PHE A 9 -13.745 -15.906 -9.224 1.00 0.00 C ATOM 349 O PHE A 9 -14.051 -14.780 -8.831 1.00 0.00 O ATOM 350 CB PHE A 9 -12.984 -16.798 -6.924 1.00 0.00 C ATOM 351 CG PHE A 9 -12.500 -18.076 -6.263 1.00 0.00 C ATOM 352 CD1 PHE A 9 -11.157 -18.198 -5.850 1.00 0.00 C ATOM 353 CD2 PHE A 9 -13.379 -19.163 -6.097 1.00 0.00 C ATOM 354 CE1 PHE A 9 -10.695 -19.401 -5.290 1.00 0.00 C ATOM 355 CE2 PHE A 9 -12.919 -20.364 -5.530 1.00 0.00 C ATOM 356 CZ PHE A 9 -11.576 -20.486 -5.131 1.00 0.00 C ATOM 0 H PHE A 9 -10.808 -16.207 -7.879 1.00 0.00 H new ATOM 0 HA PHE A 9 -12.944 -17.748 -8.852 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -12.485 -15.947 -6.460 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -14.052 -16.683 -6.737 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -10.481 -17.364 -5.965 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -14.410 -19.074 -6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.664 -19.493 -4.982 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -13.598 -21.194 -5.401 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.221 -21.412 -4.703 1.00 0.00 H new ATOM 366 N GLN A 10 -14.261 -16.447 -10.335 1.00 0.00 N ATOM 367 CA GLN A 10 -15.047 -15.722 -11.346 1.00 0.00 C ATOM 368 C GLN A 10 -14.264 -14.512 -11.920 1.00 0.00 C ATOM 369 O GLN A 10 -14.807 -13.422 -12.123 1.00 0.00 O ATOM 370 CB GLN A 10 -16.466 -15.412 -10.817 1.00 0.00 C ATOM 371 CG GLN A 10 -17.465 -15.032 -11.931 1.00 0.00 C ATOM 372 CD GLN A 10 -18.210 -13.725 -11.661 1.00 0.00 C ATOM 373 OE1 GLN A 10 -19.388 -13.702 -11.327 1.00 0.00 O ATOM 374 NE2 GLN A 10 -17.519 -12.606 -11.631 1.00 0.00 N ATOM 0 H GLN A 10 -14.140 -17.434 -10.564 1.00 0.00 H new ATOM 0 HA GLN A 10 -15.206 -16.363 -12.213 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -16.844 -16.282 -10.281 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -16.407 -14.595 -10.097 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -16.928 -14.947 -12.876 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -18.190 -15.837 -12.048 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -16.537 -12.606 -11.906 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -17.966 -11.739 -11.333 1.00 0.00 H new ATOM 383 N GLY A 11 -12.960 -14.706 -12.158 1.00 0.00 N ATOM 384 CA GLY A 11 -12.011 -13.673 -12.589 1.00 0.00 C ATOM 385 C GLY A 11 -11.343 -12.919 -11.429 1.00 0.00 C ATOM 386 O GLY A 11 -11.527 -13.247 -10.254 1.00 0.00 O ATOM 0 H GLY A 11 -12.522 -15.621 -12.051 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.238 -14.137 -13.201 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -12.533 -12.956 -13.223 1.00 0.00 H new ATOM 390 N MET A 12 -10.544 -11.900 -11.764 1.00 0.00 N ATOM 391 CA MET A 12 -9.783 -11.095 -10.791 1.00 0.00 C ATOM 392 C MET A 12 -10.617 -10.044 -10.040 1.00 0.00 C ATOM 393 O MET A 12 -10.161 -9.507 -9.031 1.00 0.00 O ATOM 394 CB MET A 12 -8.587 -10.424 -11.486 1.00 0.00 C ATOM 395 CG MET A 12 -7.566 -11.448 -12.000 1.00 0.00 C ATOM 396 SD MET A 12 -6.056 -10.735 -12.715 1.00 0.00 S ATOM 397 CE MET A 12 -6.720 -9.969 -14.221 1.00 0.00 C ATOM 0 H MET A 12 -10.403 -11.604 -12.730 1.00 0.00 H new ATOM 0 HA MET A 12 -9.440 -11.796 -10.030 1.00 0.00 H new ATOM 0 HB2 MET A 12 -8.945 -9.821 -12.320 1.00 0.00 H new ATOM 0 HB3 MET A 12 -8.098 -9.745 -10.788 1.00 0.00 H new ATOM 0 HG2 MET A 12 -7.285 -12.104 -11.176 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.047 -12.072 -12.753 1.00 0.00 H new ATOM 0 HE1 MET A 12 -5.900 -9.565 -14.816 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.257 -10.718 -14.804 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.402 -9.164 -13.949 1.00 0.00 H new ATOM 407 N SER A 13 -11.832 -9.726 -10.500 1.00 0.00 N ATOM 408 CA SER A 13 -12.692 -8.667 -9.940 1.00 0.00 C ATOM 409 C SER A 13 -13.428 -9.069 -8.649 1.00 0.00 C ATOM 410 O SER A 13 -14.642 -8.868 -8.546 1.00 0.00 O ATOM 411 CB SER A 13 -13.702 -8.175 -10.982 1.00 0.00 C ATOM 412 OG SER A 13 -13.040 -7.642 -12.121 1.00 0.00 O ATOM 0 H SER A 13 -12.259 -10.207 -11.291 1.00 0.00 H new ATOM 0 HA SER A 13 -12.012 -7.859 -9.669 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.348 -8.999 -11.285 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.344 -7.413 -10.540 1.00 0.00 H new ATOM 0 HG SER A 13 -13.705 -7.336 -12.773 1.00 0.00 H new ATOM 418 N VAL A 14 -12.700 -9.609 -7.660 1.00 0.00 N ATOM 419 CA VAL A 14 -13.216 -10.087 -6.357 1.00 0.00 C ATOM 420 C VAL A 14 -14.105 -11.355 -6.464 1.00 0.00 C ATOM 421 O VAL A 14 -14.924 -11.450 -7.382 1.00 0.00 O ATOM 422 CB VAL A 14 -13.884 -8.926 -5.574 1.00 0.00 C ATOM 423 CG1 VAL A 14 -14.266 -9.274 -4.129 1.00 0.00 C ATOM 424 CG2 VAL A 14 -12.977 -7.686 -5.496 1.00 0.00 C ATOM 0 H VAL A 14 -11.691 -9.732 -7.745 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.357 -10.420 -5.774 1.00 0.00 H new ATOM 0 HB VAL A 14 -14.790 -8.728 -6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -14.726 -8.407 -3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.972 -10.105 -4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.372 -9.558 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -13.485 -6.898 -4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -12.047 -7.946 -4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.755 -7.333 -6.503 1.00 0.00 H new ATOM 434 N PRO A 15 -13.986 -12.355 -5.556 1.00 0.00 N ATOM 435 CA PRO A 15 -14.836 -13.552 -5.555 1.00 0.00 C ATOM 436 C PRO A 15 -16.337 -13.216 -5.538 1.00 0.00 C ATOM 437 O PRO A 15 -16.811 -12.445 -4.700 1.00 0.00 O ATOM 438 CB PRO A 15 -14.426 -14.374 -4.322 1.00 0.00 C ATOM 439 CG PRO A 15 -13.700 -13.365 -3.437 1.00 0.00 C ATOM 440 CD PRO A 15 -13.030 -12.464 -4.466 1.00 0.00 C ATOM 0 HA PRO A 15 -14.689 -14.117 -6.475 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -15.294 -14.797 -3.817 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -13.778 -15.207 -4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -14.389 -12.812 -2.798 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.974 -13.846 -2.781 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -12.801 -11.486 -4.043 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.088 -12.891 -4.810 1.00 0.00 H new ATOM 448 N THR A 16 -17.089 -13.827 -6.460 1.00 0.00 N ATOM 449 CA THR A 16 -18.545 -13.628 -6.614 1.00 0.00 C ATOM 450 C THR A 16 -19.425 -14.193 -5.488 1.00 0.00 C ATOM 451 O THR A 16 -20.533 -13.713 -5.241 1.00 0.00 O ATOM 452 CB THR A 16 -18.997 -14.061 -8.020 1.00 0.00 C ATOM 453 OG1 THR A 16 -20.188 -13.403 -8.390 1.00 0.00 O ATOM 454 CG2 THR A 16 -19.234 -15.568 -8.152 1.00 0.00 C ATOM 0 H THR A 16 -16.702 -14.486 -7.135 1.00 0.00 H new ATOM 0 HA THR A 16 -18.708 -12.555 -6.509 1.00 0.00 H new ATOM 0 HB THR A 16 -18.174 -13.785 -8.679 1.00 0.00 H new ATOM 0 HG1 THR A 16 -20.233 -13.333 -9.366 1.00 0.00 H new ATOM 0 HG21 THR A 16 -19.550 -15.799 -9.169 1.00 0.00 H new ATOM 0 HG22 THR A 16 -18.311 -16.102 -7.929 1.00 0.00 H new ATOM 0 HG23 THR A 16 -20.010 -15.877 -7.452 1.00 0.00 H new ATOM 462 N ASP A 17 -18.907 -15.184 -4.757 1.00 0.00 N ATOM 463 CA ASP A 17 -19.522 -15.803 -3.577 1.00 0.00 C ATOM 464 C ASP A 17 -18.453 -16.289 -2.578 1.00 0.00 C ATOM 465 O ASP A 17 -17.435 -16.855 -2.990 1.00 0.00 O ATOM 466 CB ASP A 17 -20.472 -16.933 -4.021 1.00 0.00 C ATOM 467 CG ASP A 17 -21.095 -17.727 -2.859 1.00 0.00 C ATOM 468 OD1 ASP A 17 -21.426 -17.126 -1.810 1.00 0.00 O ATOM 469 OD2 ASP A 17 -21.296 -18.957 -3.011 1.00 0.00 O ATOM 0 H ASP A 17 -18.002 -15.598 -4.982 1.00 0.00 H new ATOM 0 HA ASP A 17 -20.114 -15.056 -3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -21.273 -16.504 -4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -19.924 -17.622 -4.664 1.00 0.00 H new ATOM 474 N GLY A 18 -18.653 -16.060 -1.276 1.00 0.00 N ATOM 475 CA GLY A 18 -17.685 -16.407 -0.229 1.00 0.00 C ATOM 476 C GLY A 18 -16.366 -15.627 -0.349 1.00 0.00 C ATOM 477 O GLY A 18 -16.368 -14.404 -0.514 1.00 0.00 O ATOM 0 H GLY A 18 -19.501 -15.623 -0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.129 -16.212 0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.475 -17.475 -0.276 1.00 0.00 H new ATOM 481 N ALA A 19 -15.241 -16.340 -0.265 1.00 0.00 N ATOM 482 CA ALA A 19 -13.884 -15.801 -0.387 1.00 0.00 C ATOM 483 C ALA A 19 -12.923 -16.805 -1.063 1.00 0.00 C ATOM 484 O ALA A 19 -13.233 -17.993 -1.192 1.00 0.00 O ATOM 485 CB ALA A 19 -13.392 -15.394 1.011 1.00 0.00 C ATOM 0 H ALA A 19 -15.250 -17.347 -0.104 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.902 -14.924 -1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.382 -14.990 0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.057 -14.636 1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.387 -16.267 1.664 1.00 0.00 H new ATOM 491 N VAL A 20 -11.741 -16.330 -1.478 1.00 0.00 N ATOM 492 CA VAL A 20 -10.647 -17.177 -1.995 1.00 0.00 C ATOM 493 C VAL A 20 -10.114 -18.178 -0.957 1.00 0.00 C ATOM 494 O VAL A 20 -10.252 -17.967 0.252 1.00 0.00 O ATOM 495 CB VAL A 20 -9.512 -16.354 -2.645 1.00 0.00 C ATOM 496 CG1 VAL A 20 -10.037 -15.238 -3.556 1.00 0.00 C ATOM 497 CG2 VAL A 20 -8.566 -15.713 -1.621 1.00 0.00 C ATOM 0 H VAL A 20 -11.511 -15.336 -1.466 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.094 -17.775 -2.789 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.962 -17.087 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.196 -14.693 -3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.634 -15.673 -4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.654 -14.553 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.792 -15.150 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.131 -15.041 -0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.102 -16.492 -1.017 1.00 0.00 H new ATOM 507 N THR A 21 -9.499 -19.272 -1.415 1.00 0.00 N ATOM 508 CA THR A 21 -8.946 -20.319 -0.534 1.00 0.00 C ATOM 509 C THR A 21 -7.848 -19.868 0.441 1.00 0.00 C ATOM 510 O THR A 21 -7.021 -19.007 0.122 1.00 0.00 O ATOM 511 CB THR A 21 -8.590 -21.638 -1.255 1.00 0.00 C ATOM 512 OG1 THR A 21 -7.254 -21.620 -1.710 1.00 0.00 O ATOM 513 CG2 THR A 21 -9.472 -21.960 -2.463 1.00 0.00 C ATOM 0 H THR A 21 -9.367 -19.462 -2.408 1.00 0.00 H new ATOM 0 HA THR A 21 -9.799 -20.542 0.107 1.00 0.00 H new ATOM 0 HB THR A 21 -8.753 -22.406 -0.499 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.051 -22.466 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.151 -22.902 -2.907 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.510 -22.045 -2.143 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.384 -21.163 -3.201 1.00 0.00 H new ATOM 521 N THR A 22 -7.849 -20.443 1.648 1.00 0.00 N ATOM 522 CA THR A 22 -6.821 -20.227 2.683 1.00 0.00 C ATOM 523 C THR A 22 -5.513 -21.003 2.468 1.00 0.00 C ATOM 524 O THR A 22 -5.477 -21.986 1.720 1.00 0.00 O ATOM 525 CB THR A 22 -7.366 -20.366 4.121 1.00 0.00 C ATOM 526 OG1 THR A 22 -7.308 -21.712 4.544 1.00 0.00 O ATOM 527 CG2 THR A 22 -8.810 -19.887 4.306 1.00 0.00 C ATOM 0 H THR A 22 -8.581 -21.088 1.944 1.00 0.00 H new ATOM 0 HA THR A 22 -6.541 -19.181 2.557 1.00 0.00 H new ATOM 0 HB THR A 22 -6.723 -19.721 4.720 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.655 -21.783 5.458 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.108 -20.022 5.346 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.880 -18.832 4.043 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.471 -20.466 3.661 1.00 0.00 H new ATOM 535 N SER A 23 -4.432 -20.569 3.125 1.00 0.00 N ATOM 536 CA SER A 23 -3.102 -21.193 3.051 1.00 0.00 C ATOM 537 C SER A 23 -2.402 -21.248 4.413 1.00 0.00 C ATOM 538 O SER A 23 -2.532 -20.333 5.231 1.00 0.00 O ATOM 539 CB SER A 23 -2.222 -20.457 2.031 1.00 0.00 C ATOM 540 OG SER A 23 -1.948 -19.129 2.457 1.00 0.00 O ATOM 0 H SER A 23 -4.456 -19.754 3.738 1.00 0.00 H new ATOM 0 HA SER A 23 -3.251 -22.222 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.286 -20.999 1.895 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.722 -20.436 1.063 1.00 0.00 H new ATOM 0 HG SER A 23 -1.385 -18.682 1.792 1.00 0.00 H new ATOM 546 N GLN A 24 -1.637 -22.319 4.638 1.00 0.00 N ATOM 547 CA GLN A 24 -0.821 -22.570 5.836 1.00 0.00 C ATOM 548 C GLN A 24 0.696 -22.393 5.584 1.00 0.00 C ATOM 549 O GLN A 24 1.506 -22.627 6.484 1.00 0.00 O ATOM 550 CB GLN A 24 -1.179 -23.960 6.411 1.00 0.00 C ATOM 551 CG GLN A 24 -0.546 -25.208 5.751 1.00 0.00 C ATOM 552 CD GLN A 24 -1.044 -25.588 4.352 1.00 0.00 C ATOM 553 OE1 GLN A 24 -1.879 -24.945 3.730 1.00 0.00 O ATOM 554 NE2 GLN A 24 -0.534 -26.661 3.787 1.00 0.00 N ATOM 0 H GLN A 24 -1.564 -23.075 3.957 1.00 0.00 H new ATOM 0 HA GLN A 24 -1.060 -21.813 6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.904 -23.965 7.466 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.262 -24.071 6.364 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.531 -25.051 5.695 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.710 -26.060 6.411 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.164 -27.216 4.283 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.836 -26.938 2.853 1.00 0.00 H new ATOM 563 N ILE A 25 1.082 -21.999 4.365 1.00 0.00 N ATOM 564 CA ILE A 25 2.469 -21.882 3.875 1.00 0.00 C ATOM 565 C ILE A 25 2.644 -20.636 2.979 1.00 0.00 C ATOM 566 O ILE A 25 1.684 -20.235 2.309 1.00 0.00 O ATOM 567 CB ILE A 25 2.920 -23.153 3.105 1.00 0.00 C ATOM 568 CG1 ILE A 25 1.804 -23.762 2.225 1.00 0.00 C ATOM 569 CG2 ILE A 25 3.468 -24.194 4.095 1.00 0.00 C ATOM 570 CD1 ILE A 25 2.316 -24.776 1.195 1.00 0.00 C ATOM 0 H ILE A 25 0.401 -21.738 3.652 1.00 0.00 H new ATOM 0 HA ILE A 25 3.103 -21.774 4.755 1.00 0.00 H new ATOM 0 HB ILE A 25 3.710 -22.849 2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.071 -24.249 2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.285 -22.958 1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.783 -25.084 3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.321 -23.775 4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.689 -24.463 4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.477 -25.160 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.026 -24.289 0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.809 -25.600 1.710 1.00 0.00 H new ATOM 582 N PRO A 26 3.846 -20.027 2.932 1.00 0.00 N ATOM 583 CA PRO A 26 4.102 -18.803 2.171 1.00 0.00 C ATOM 584 C PRO A 26 4.052 -19.008 0.648 1.00 0.00 C ATOM 585 O PRO A 26 4.451 -20.054 0.124 1.00 0.00 O ATOM 586 CB PRO A 26 5.492 -18.332 2.619 1.00 0.00 C ATOM 587 CG PRO A 26 6.194 -19.629 3.013 1.00 0.00 C ATOM 588 CD PRO A 26 5.057 -20.438 3.635 1.00 0.00 C ATOM 0 HA PRO A 26 3.324 -18.065 2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.020 -17.817 1.816 1.00 0.00 H new ATOM 0 HB3 PRO A 26 5.430 -17.638 3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.628 -20.135 2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 26 7.004 -19.454 3.721 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.231 -21.508 3.522 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.975 -20.240 4.704 1.00 0.00 H new ATOM 596 N ALA A 27 3.613 -17.973 -0.072 1.00 0.00 N ATOM 597 CA ALA A 27 3.701 -17.874 -1.528 1.00 0.00 C ATOM 598 C ALA A 27 5.168 -17.819 -2.016 1.00 0.00 C ATOM 599 O ALA A 27 6.070 -17.404 -1.280 1.00 0.00 O ATOM 600 CB ALA A 27 2.908 -16.637 -1.975 1.00 0.00 C ATOM 0 H ALA A 27 3.174 -17.158 0.356 1.00 0.00 H new ATOM 0 HA ALA A 27 3.271 -18.769 -1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.960 -16.544 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.867 -16.742 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.333 -15.746 -1.513 1.00 0.00 H new ATOM 606 N SER A 28 5.413 -18.232 -3.265 1.00 0.00 N ATOM 607 CA SER A 28 6.760 -18.261 -3.862 1.00 0.00 C ATOM 608 C SER A 28 7.360 -16.861 -4.088 1.00 0.00 C ATOM 609 O SER A 28 6.661 -15.902 -4.428 1.00 0.00 O ATOM 610 CB SER A 28 6.781 -19.097 -5.149 1.00 0.00 C ATOM 611 OG SER A 28 5.889 -18.600 -6.137 1.00 0.00 O ATOM 0 H SER A 28 4.681 -18.558 -3.896 1.00 0.00 H new ATOM 0 HA SER A 28 7.405 -18.746 -3.129 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.793 -19.111 -5.553 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.518 -20.128 -4.913 1.00 0.00 H new ATOM 0 HG SER A 28 5.660 -17.669 -5.933 1.00 0.00 H new ATOM 617 N GLU A 29 8.677 -16.738 -3.897 1.00 0.00 N ATOM 618 CA GLU A 29 9.433 -15.476 -3.983 1.00 0.00 C ATOM 619 C GLU A 29 9.778 -15.127 -5.449 1.00 0.00 C ATOM 620 O GLU A 29 10.935 -15.180 -5.876 1.00 0.00 O ATOM 621 CB GLU A 29 10.666 -15.580 -3.059 1.00 0.00 C ATOM 622 CG GLU A 29 11.423 -14.259 -2.822 1.00 0.00 C ATOM 623 CD GLU A 29 10.731 -13.288 -1.844 1.00 0.00 C ATOM 624 OE1 GLU A 29 9.562 -13.495 -1.443 1.00 0.00 O ATOM 625 OE2 GLU A 29 11.368 -12.285 -1.440 1.00 0.00 O ATOM 0 H GLU A 29 9.269 -17.537 -3.671 1.00 0.00 H new ATOM 0 HA GLU A 29 8.825 -14.641 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.345 -15.974 -2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.359 -16.306 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.418 -14.489 -2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.557 -13.755 -3.779 1.00 0.00 H new ATOM 632 N GLN A 30 8.754 -14.832 -6.255 1.00 0.00 N ATOM 633 CA GLN A 30 8.893 -14.531 -7.687 1.00 0.00 C ATOM 634 C GLN A 30 9.653 -13.218 -7.948 1.00 0.00 C ATOM 635 O GLN A 30 9.378 -12.188 -7.331 1.00 0.00 O ATOM 636 CB GLN A 30 7.513 -14.502 -8.367 1.00 0.00 C ATOM 637 CG GLN A 30 6.784 -15.858 -8.340 1.00 0.00 C ATOM 638 CD GLN A 30 7.541 -16.986 -9.044 1.00 0.00 C ATOM 639 OE1 GLN A 30 8.275 -16.796 -10.006 1.00 0.00 O ATOM 640 NE2 GLN A 30 7.381 -18.216 -8.606 1.00 0.00 N ATOM 0 H GLN A 30 7.789 -14.794 -5.928 1.00 0.00 H new ATOM 0 HA GLN A 30 9.491 -15.332 -8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.891 -13.754 -7.875 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.634 -14.185 -9.403 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.609 -16.144 -7.303 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.807 -15.743 -8.808 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.774 -18.398 -7.806 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.863 -18.988 -9.066 1.00 0.00 H new ATOM 649 N GLU A 31 10.594 -13.250 -8.897 1.00 0.00 N ATOM 650 CA GLU A 31 11.445 -12.107 -9.275 1.00 0.00 C ATOM 651 C GLU A 31 10.810 -11.164 -10.321 1.00 0.00 C ATOM 652 O GLU A 31 11.394 -10.132 -10.663 1.00 0.00 O ATOM 653 CB GLU A 31 12.810 -12.623 -9.769 1.00 0.00 C ATOM 654 CG GLU A 31 13.599 -13.356 -8.669 1.00 0.00 C ATOM 655 CD GLU A 31 15.035 -13.741 -9.086 1.00 0.00 C ATOM 656 OE1 GLU A 31 15.416 -13.613 -10.277 1.00 0.00 O ATOM 657 OE2 GLU A 31 15.810 -14.195 -8.206 1.00 0.00 O ATOM 0 H GLU A 31 10.793 -14.090 -9.440 1.00 0.00 H new ATOM 0 HA GLU A 31 11.569 -11.502 -8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.656 -13.297 -10.611 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.400 -11.784 -10.136 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.645 -12.722 -7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.058 -14.259 -8.387 1.00 0.00 H new ATOM 664 N THR A 32 9.628 -11.503 -10.848 1.00 0.00 N ATOM 665 CA THR A 32 8.937 -10.759 -11.915 1.00 0.00 C ATOM 666 C THR A 32 8.625 -9.287 -11.635 1.00 0.00 C ATOM 667 O THR A 32 8.031 -8.958 -10.605 1.00 0.00 O ATOM 668 CB THR A 32 7.695 -11.489 -12.458 1.00 0.00 C ATOM 669 OG1 THR A 32 7.787 -12.890 -12.266 1.00 0.00 O ATOM 670 CG2 THR A 32 7.465 -11.226 -13.948 1.00 0.00 C ATOM 0 H THR A 32 9.109 -12.324 -10.538 1.00 0.00 H new ATOM 0 HA THR A 32 9.698 -10.734 -12.695 1.00 0.00 H new ATOM 0 HB THR A 32 6.854 -11.089 -11.892 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.982 -13.322 -12.620 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.577 -11.764 -14.280 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.324 -10.158 -14.111 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.330 -11.569 -14.516 1.00 0.00 H new ATOM 678 N LEU A 33 8.996 -8.399 -12.561 1.00 0.00 N ATOM 679 CA LEU A 33 8.797 -6.950 -12.446 1.00 0.00 C ATOM 680 C LEU A 33 7.404 -6.537 -12.945 1.00 0.00 C ATOM 681 O LEU A 33 7.021 -6.837 -14.079 1.00 0.00 O ATOM 682 CB LEU A 33 9.916 -6.201 -13.192 1.00 0.00 C ATOM 683 CG LEU A 33 11.344 -6.509 -12.695 1.00 0.00 C ATOM 684 CD1 LEU A 33 12.356 -5.788 -13.585 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.572 -6.066 -11.247 1.00 0.00 C ATOM 0 H LEU A 33 9.453 -8.672 -13.431 1.00 0.00 H new ATOM 0 HA LEU A 33 8.849 -6.674 -11.393 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.854 -6.447 -14.252 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.739 -5.129 -13.103 1.00 0.00 H new ATOM 0 HG LEU A 33 11.473 -7.590 -12.741 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.366 -6.004 -13.236 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.246 -6.132 -14.613 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.179 -4.713 -13.541 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.593 -6.307 -10.949 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.415 -4.990 -11.167 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.871 -6.585 -10.593 1.00 0.00 H new ATOM 697 N VAL A 34 6.653 -5.822 -12.107 1.00 0.00 N ATOM 698 CA VAL A 34 5.223 -5.503 -12.325 1.00 0.00 C ATOM 699 C VAL A 34 4.961 -4.298 -13.225 1.00 0.00 C ATOM 700 O VAL A 34 3.896 -4.195 -13.830 1.00 0.00 O ATOM 701 CB VAL A 34 4.467 -5.344 -10.989 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.813 -6.458 -10.009 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.742 -4.013 -10.273 1.00 0.00 C ATOM 0 H VAL A 34 7.020 -5.436 -11.237 1.00 0.00 H new ATOM 0 HA VAL A 34 4.835 -6.367 -12.865 1.00 0.00 H new ATOM 0 HB VAL A 34 3.416 -5.382 -11.275 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.261 -6.311 -9.081 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.543 -7.421 -10.443 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.883 -6.441 -9.801 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.175 -3.976 -9.343 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.806 -3.931 -10.053 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.440 -3.185 -10.915 1.00 0.00 H new ATOM 713 N ARG A 35 5.939 -3.386 -13.291 1.00 0.00 N ATOM 714 CA ARG A 35 5.860 -2.049 -13.902 1.00 0.00 C ATOM 715 C ARG A 35 4.715 -1.187 -13.315 1.00 0.00 C ATOM 716 O ARG A 35 3.675 -1.014 -13.960 1.00 0.00 O ATOM 717 CB ARG A 35 5.843 -2.128 -15.448 1.00 0.00 C ATOM 718 CG ARG A 35 7.145 -2.601 -16.124 1.00 0.00 C ATOM 719 CD ARG A 35 7.517 -4.069 -15.868 1.00 0.00 C ATOM 720 NE ARG A 35 8.591 -4.513 -16.779 1.00 0.00 N ATOM 721 CZ ARG A 35 8.852 -5.752 -17.159 1.00 0.00 C ATOM 722 NH1 ARG A 35 8.251 -6.788 -16.645 1.00 0.00 N ATOM 723 NH2 ARG A 35 9.746 -5.979 -18.078 1.00 0.00 N ATOM 0 H ARG A 35 6.862 -3.570 -12.897 1.00 0.00 H new ATOM 0 HA ARG A 35 6.775 -1.520 -13.633 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.039 -2.800 -15.747 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.595 -1.141 -15.838 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.054 -2.448 -17.199 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.964 -1.970 -15.780 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.840 -4.190 -14.834 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.638 -4.699 -16.003 1.00 0.00 H new ATOM 0 HE ARG A 35 9.197 -3.785 -17.156 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.547 -6.660 -15.918 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.485 -7.726 -16.970 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.246 -5.200 -18.506 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.946 -6.936 -18.370 1.00 0.00 H new ATOM 737 N PRO A 36 4.857 -0.682 -12.072 1.00 0.00 N ATOM 738 CA PRO A 36 3.824 0.115 -11.411 1.00 0.00 C ATOM 739 C PRO A 36 3.712 1.537 -11.989 1.00 0.00 C ATOM 740 O PRO A 36 4.647 2.049 -12.613 1.00 0.00 O ATOM 741 CB PRO A 36 4.196 0.121 -9.928 1.00 0.00 C ATOM 742 CG PRO A 36 5.711 -0.064 -9.912 1.00 0.00 C ATOM 743 CD PRO A 36 6.041 -0.778 -11.224 1.00 0.00 C ATOM 0 HA PRO A 36 2.836 -0.317 -11.572 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.906 1.057 -9.450 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.693 -0.682 -9.389 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.224 0.895 -9.846 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.027 -0.655 -9.052 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.901 -0.316 -11.709 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.301 -1.821 -11.041 1.00 0.00 H new ATOM 751 N LYS A 37 2.569 2.196 -11.750 1.00 0.00 N ATOM 752 CA LYS A 37 2.327 3.609 -12.102 1.00 0.00 C ATOM 753 C LYS A 37 3.362 4.553 -11.455 1.00 0.00 C ATOM 754 O LYS A 37 3.784 4.288 -10.325 1.00 0.00 O ATOM 755 CB LYS A 37 0.901 4.003 -11.674 1.00 0.00 C ATOM 756 CG LYS A 37 -0.195 3.295 -12.493 1.00 0.00 C ATOM 757 CD LYS A 37 -1.539 3.275 -11.747 1.00 0.00 C ATOM 758 CE LYS A 37 -2.166 4.656 -11.518 1.00 0.00 C ATOM 759 NZ LYS A 37 -2.743 5.224 -12.766 1.00 0.00 N ATOM 0 H LYS A 37 1.768 1.755 -11.297 1.00 0.00 H new ATOM 0 HA LYS A 37 2.432 3.712 -13.182 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.767 3.766 -10.618 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.783 5.082 -11.777 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.318 3.801 -13.451 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.116 2.273 -12.710 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.242 2.661 -12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.395 2.792 -10.781 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.947 4.578 -10.761 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.410 5.336 -11.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.033 6.208 -12.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.029 5.198 -13.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.571 4.663 -13.052 1.00 0.00 H new ATOM 773 N PRO A 38 3.721 5.690 -12.085 1.00 0.00 N ATOM 774 CA PRO A 38 4.663 6.656 -11.504 1.00 0.00 C ATOM 775 C PRO A 38 4.152 7.272 -10.188 1.00 0.00 C ATOM 776 O PRO A 38 4.940 7.540 -9.280 1.00 0.00 O ATOM 777 CB PRO A 38 4.878 7.714 -12.593 1.00 0.00 C ATOM 778 CG PRO A 38 3.607 7.641 -13.439 1.00 0.00 C ATOM 779 CD PRO A 38 3.248 6.158 -13.382 1.00 0.00 C ATOM 0 HA PRO A 38 5.597 6.171 -11.222 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.015 8.706 -12.163 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.766 7.499 -13.188 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.813 8.266 -13.030 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.782 7.976 -14.461 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.173 6.011 -13.484 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.723 5.608 -14.194 1.00 0.00 H new ATOM 787 N LEU A 39 2.830 7.430 -10.046 1.00 0.00 N ATOM 788 CA LEU A 39 2.178 7.890 -8.815 1.00 0.00 C ATOM 789 C LEU A 39 2.382 6.910 -7.642 1.00 0.00 C ATOM 790 O LEU A 39 2.643 7.340 -6.518 1.00 0.00 O ATOM 791 CB LEU A 39 0.686 8.123 -9.132 1.00 0.00 C ATOM 792 CG LEU A 39 -0.157 8.657 -7.959 1.00 0.00 C ATOM 793 CD1 LEU A 39 0.280 10.059 -7.532 1.00 0.00 C ATOM 794 CD2 LEU A 39 -1.629 8.724 -8.368 1.00 0.00 C ATOM 0 H LEU A 39 2.171 7.237 -10.800 1.00 0.00 H new ATOM 0 HA LEU A 39 2.634 8.823 -8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.613 8.827 -9.961 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.252 7.183 -9.472 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.013 7.973 -7.123 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.341 10.397 -6.702 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.324 10.035 -7.218 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.169 10.746 -8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.221 9.102 -7.535 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.739 9.390 -9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.977 7.727 -8.638 1.00 0.00 H new ATOM 806 N LEU A 40 2.317 5.598 -7.909 1.00 0.00 N ATOM 807 CA LEU A 40 2.614 4.553 -6.927 1.00 0.00 C ATOM 808 C LEU A 40 4.109 4.494 -6.620 1.00 0.00 C ATOM 809 O LEU A 40 4.491 4.461 -5.455 1.00 0.00 O ATOM 810 CB LEU A 40 2.092 3.196 -7.434 1.00 0.00 C ATOM 811 CG LEU A 40 2.397 2.009 -6.498 1.00 0.00 C ATOM 812 CD1 LEU A 40 1.898 2.231 -5.068 1.00 0.00 C ATOM 813 CD2 LEU A 40 1.707 0.755 -7.025 1.00 0.00 C ATOM 0 H LEU A 40 2.054 5.232 -8.824 1.00 0.00 H new ATOM 0 HA LEU A 40 2.104 4.794 -5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.013 3.265 -7.575 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.529 2.994 -8.412 1.00 0.00 H new ATOM 0 HG LEU A 40 3.482 1.906 -6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.142 1.361 -4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.378 3.115 -4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.818 2.375 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.923 -0.084 -6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.630 0.921 -7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.074 0.531 -8.026 1.00 0.00 H new ATOM 825 N LEU A 41 4.955 4.541 -7.651 1.00 0.00 N ATOM 826 CA LEU A 41 6.408 4.558 -7.492 1.00 0.00 C ATOM 827 C LEU A 41 6.855 5.679 -6.541 1.00 0.00 C ATOM 828 O LEU A 41 7.612 5.404 -5.615 1.00 0.00 O ATOM 829 CB LEU A 41 7.070 4.644 -8.879 1.00 0.00 C ATOM 830 CG LEU A 41 8.595 4.866 -8.852 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.342 3.764 -8.097 1.00 0.00 C ATOM 832 CD2 LEU A 41 9.130 4.910 -10.283 1.00 0.00 C ATOM 0 H LEU A 41 4.649 4.568 -8.624 1.00 0.00 H new ATOM 0 HA LEU A 41 6.735 3.630 -7.023 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.860 3.724 -9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.608 5.458 -9.437 1.00 0.00 H new ATOM 0 HG LEU A 41 8.766 5.809 -8.332 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.412 3.974 -8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.993 3.729 -7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.154 2.803 -8.576 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.208 5.067 -10.264 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.910 3.967 -10.783 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.654 5.728 -10.824 1.00 0.00 H new ATOM 844 N LYS A 42 6.331 6.905 -6.689 1.00 0.00 N ATOM 845 CA LYS A 42 6.648 8.057 -5.820 1.00 0.00 C ATOM 846 C LYS A 42 6.365 7.796 -4.329 1.00 0.00 C ATOM 847 O LYS A 42 7.133 8.229 -3.470 1.00 0.00 O ATOM 848 CB LYS A 42 5.840 9.264 -6.330 1.00 0.00 C ATOM 849 CG LYS A 42 6.081 10.548 -5.516 1.00 0.00 C ATOM 850 CD LYS A 42 5.367 11.774 -6.104 1.00 0.00 C ATOM 851 CE LYS A 42 3.837 11.646 -6.049 1.00 0.00 C ATOM 852 NZ LYS A 42 3.171 12.875 -6.558 1.00 0.00 N ATOM 0 H LYS A 42 5.664 7.131 -7.427 1.00 0.00 H new ATOM 0 HA LYS A 42 7.720 8.249 -5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.097 9.450 -7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.778 9.019 -6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.740 10.392 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.152 10.746 -5.469 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.674 12.666 -5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.680 11.911 -7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.521 10.787 -6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.523 11.459 -5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.139 12.757 -6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.455 13.690 -5.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.453 13.039 -7.546 1.00 0.00 H new ATOM 866 N LEU A 43 5.305 7.048 -4.014 1.00 0.00 N ATOM 867 CA LEU A 43 5.003 6.597 -2.648 1.00 0.00 C ATOM 868 C LEU A 43 6.114 5.676 -2.100 1.00 0.00 C ATOM 869 O LEU A 43 6.506 5.804 -0.940 1.00 0.00 O ATOM 870 CB LEU A 43 3.595 5.966 -2.644 1.00 0.00 C ATOM 871 CG LEU A 43 3.075 5.497 -1.273 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.544 5.489 -1.280 1.00 0.00 C ATOM 873 CD2 LEU A 43 3.529 4.075 -0.923 1.00 0.00 C ATOM 0 H LEU A 43 4.624 6.734 -4.705 1.00 0.00 H new ATOM 0 HA LEU A 43 4.988 7.441 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.891 6.692 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.598 5.112 -3.322 1.00 0.00 H new ATOM 0 HG LEU A 43 3.480 6.191 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.177 5.157 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.176 6.495 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.187 4.810 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.133 3.797 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.159 3.379 -1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.618 4.037 -0.898 1.00 0.00 H new ATOM 885 N LEU A 44 6.695 4.815 -2.945 1.00 0.00 N ATOM 886 CA LEU A 44 7.891 4.022 -2.618 1.00 0.00 C ATOM 887 C LEU A 44 9.141 4.919 -2.466 1.00 0.00 C ATOM 888 O LEU A 44 9.906 4.761 -1.513 1.00 0.00 O ATOM 889 CB LEU A 44 8.128 2.890 -3.651 1.00 0.00 C ATOM 890 CG LEU A 44 6.887 2.222 -4.281 1.00 0.00 C ATOM 891 CD1 LEU A 44 7.307 1.201 -5.340 1.00 0.00 C ATOM 892 CD2 LEU A 44 5.993 1.507 -3.270 1.00 0.00 C ATOM 0 H LEU A 44 6.344 4.646 -3.888 1.00 0.00 H new ATOM 0 HA LEU A 44 7.709 3.547 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.737 3.295 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.718 2.112 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 44 6.314 3.039 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.419 0.740 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.875 1.702 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.926 0.432 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.142 1.063 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.563 0.724 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.635 2.223 -2.531 1.00 0.00 H new ATOM 904 N LYS A 45 9.341 5.917 -3.344 1.00 0.00 N ATOM 905 CA LYS A 45 10.460 6.885 -3.238 1.00 0.00 C ATOM 906 C LYS A 45 10.431 7.661 -1.916 1.00 0.00 C ATOM 907 O LYS A 45 11.487 7.961 -1.363 1.00 0.00 O ATOM 908 CB LYS A 45 10.458 7.911 -4.387 1.00 0.00 C ATOM 909 CG LYS A 45 10.372 7.351 -5.810 1.00 0.00 C ATOM 910 CD LYS A 45 11.442 6.359 -6.266 1.00 0.00 C ATOM 911 CE LYS A 45 12.767 7.040 -6.617 1.00 0.00 C ATOM 912 NZ LYS A 45 13.672 7.186 -5.448 1.00 0.00 N ATOM 0 H LYS A 45 8.735 6.080 -4.148 1.00 0.00 H new ATOM 0 HA LYS A 45 11.364 6.278 -3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.617 8.588 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.366 8.509 -4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.402 6.866 -5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.385 8.194 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.612 5.626 -5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.078 5.812 -7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.272 6.462 -7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.563 8.025 -7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.615 7.478 -5.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.291 7.906 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.744 6.276 -4.949 1.00 0.00 H new ATOM 926 N SER A 46 9.237 7.932 -1.384 1.00 0.00 N ATOM 927 CA SER A 46 9.026 8.620 -0.097 1.00 0.00 C ATOM 928 C SER A 46 9.546 7.833 1.121 1.00 0.00 C ATOM 929 O SER A 46 9.774 8.423 2.178 1.00 0.00 O ATOM 930 CB SER A 46 7.539 8.937 0.094 1.00 0.00 C ATOM 931 OG SER A 46 7.070 9.788 -0.940 1.00 0.00 O ATOM 0 H SER A 46 8.364 7.674 -1.844 1.00 0.00 H new ATOM 0 HA SER A 46 9.610 9.539 -0.148 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.963 8.012 0.100 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.385 9.414 1.062 1.00 0.00 H new ATOM 0 HG SER A 46 7.080 9.304 -1.792 1.00 0.00 H new ATOM 937 N VAL A 47 9.781 6.523 0.967 1.00 0.00 N ATOM 938 CA VAL A 47 10.467 5.644 1.942 1.00 0.00 C ATOM 939 C VAL A 47 11.817 5.121 1.408 1.00 0.00 C ATOM 940 O VAL A 47 12.354 4.133 1.911 1.00 0.00 O ATOM 941 CB VAL A 47 9.541 4.509 2.431 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.352 5.077 3.208 1.00 0.00 C ATOM 943 CG2 VAL A 47 9.010 3.630 1.294 1.00 0.00 C ATOM 0 H VAL A 47 9.489 6.020 0.129 1.00 0.00 H new ATOM 0 HA VAL A 47 10.705 6.253 2.814 1.00 0.00 H new ATOM 0 HB VAL A 47 10.156 3.884 3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.713 4.260 3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.714 5.632 4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.780 5.744 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.366 2.852 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.439 4.243 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.847 3.168 0.770 1.00 0.00 H new ATOM 953 N GLY A 48 12.403 5.804 0.418 1.00 0.00 N ATOM 954 CA GLY A 48 13.777 5.579 -0.048 1.00 0.00 C ATOM 955 C GLY A 48 13.969 4.437 -1.053 1.00 0.00 C ATOM 956 O GLY A 48 15.083 3.921 -1.166 1.00 0.00 O ATOM 0 H GLY A 48 11.925 6.546 -0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.141 6.501 -0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.406 5.382 0.820 1.00 0.00 H new ATOM 960 N ALA A 49 12.923 4.027 -1.779 1.00 0.00 N ATOM 961 CA ALA A 49 13.017 2.986 -2.803 1.00 0.00 C ATOM 962 C ALA A 49 13.964 3.422 -3.951 1.00 0.00 C ATOM 963 O ALA A 49 13.855 4.545 -4.453 1.00 0.00 O ATOM 964 CB ALA A 49 11.587 2.672 -3.249 1.00 0.00 C ATOM 0 H ALA A 49 11.984 4.411 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 49 13.468 2.071 -2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.607 1.897 -4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.008 2.322 -2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.126 3.573 -3.655 1.00 0.00 H new ATOM 970 N GLN A 50 14.925 2.570 -4.335 1.00 0.00 N ATOM 971 CA GLN A 50 16.045 2.932 -5.227 1.00 0.00 C ATOM 972 C GLN A 50 15.828 2.665 -6.733 1.00 0.00 C ATOM 973 O GLN A 50 16.274 3.457 -7.568 1.00 0.00 O ATOM 974 CB GLN A 50 17.320 2.212 -4.751 1.00 0.00 C ATOM 975 CG GLN A 50 17.749 2.636 -3.334 1.00 0.00 C ATOM 976 CD GLN A 50 19.074 2.019 -2.879 1.00 0.00 C ATOM 977 OE1 GLN A 50 19.731 1.249 -3.570 1.00 0.00 O ATOM 978 NE2 GLN A 50 19.525 2.334 -1.681 1.00 0.00 N ATOM 0 H GLN A 50 14.950 1.596 -4.033 1.00 0.00 H new ATOM 0 HA GLN A 50 16.132 4.016 -5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.152 1.135 -4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 50 18.131 2.419 -5.449 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.834 3.722 -3.300 1.00 0.00 H new ATOM 0 HG3 GLN A 50 16.967 2.355 -2.628 1.00 0.00 H new ATOM 0 HE21 GLN A 50 18.995 2.973 -1.088 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.404 1.939 -1.347 1.00 0.00 H new ATOM 987 N LYS A 51 15.167 1.557 -7.088 1.00 0.00 N ATOM 988 CA LYS A 51 14.818 1.161 -8.470 1.00 0.00 C ATOM 989 C LYS A 51 13.608 1.943 -9.010 1.00 0.00 C ATOM 990 O LYS A 51 12.895 2.614 -8.262 1.00 0.00 O ATOM 991 CB LYS A 51 14.516 -0.353 -8.530 1.00 0.00 C ATOM 992 CG LYS A 51 15.608 -1.263 -7.939 1.00 0.00 C ATOM 993 CD LYS A 51 15.290 -2.756 -8.137 1.00 0.00 C ATOM 994 CE LYS A 51 14.056 -3.206 -7.339 1.00 0.00 C ATOM 995 NZ LYS A 51 13.712 -4.625 -7.607 1.00 0.00 N ATOM 0 H LYS A 51 14.845 0.880 -6.397 1.00 0.00 H new ATOM 0 HA LYS A 51 15.678 1.396 -9.097 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.582 -0.542 -8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.355 -0.634 -9.571 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.564 -1.032 -8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.716 -1.054 -6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.125 -2.951 -9.196 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.152 -3.351 -7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.244 -3.073 -6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.207 -2.572 -7.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.845 -4.876 -7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.558 -4.758 -8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.492 -5.237 -7.292 1.00 0.00 H new ATOM 1009 N ASP A 52 13.343 1.799 -10.308 1.00 0.00 N ATOM 1010 CA ASP A 52 12.124 2.252 -10.998 1.00 0.00 C ATOM 1011 C ASP A 52 11.086 1.153 -11.322 1.00 0.00 C ATOM 1012 O ASP A 52 9.997 1.444 -11.825 1.00 0.00 O ATOM 1013 CB ASP A 52 12.444 3.167 -12.196 1.00 0.00 C ATOM 1014 CG ASP A 52 13.539 2.673 -13.165 1.00 0.00 C ATOM 1015 OD1 ASP A 52 14.021 1.520 -13.056 1.00 0.00 O ATOM 1016 OD2 ASP A 52 13.920 3.460 -14.065 1.00 0.00 O ATOM 0 H ASP A 52 14.000 1.343 -10.941 1.00 0.00 H new ATOM 0 HA ASP A 52 11.603 2.859 -10.257 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.527 3.317 -12.765 1.00 0.00 H new ATOM 0 HB3 ASP A 52 12.743 4.142 -11.811 1.00 0.00 H new ATOM 1021 N THR A 53 11.397 -0.108 -11.003 1.00 0.00 N ATOM 1022 CA THR A 53 10.550 -1.297 -11.236 1.00 0.00 C ATOM 1023 C THR A 53 10.778 -2.261 -10.064 1.00 0.00 C ATOM 1024 O THR A 53 11.873 -2.352 -9.500 1.00 0.00 O ATOM 1025 CB THR A 53 10.949 -2.054 -12.521 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.343 -2.016 -12.763 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.240 -1.483 -13.746 1.00 0.00 C ATOM 0 H THR A 53 12.283 -0.345 -10.556 1.00 0.00 H new ATOM 0 HA THR A 53 9.516 -0.965 -11.330 1.00 0.00 H new ATOM 0 HB THR A 53 10.645 -3.088 -12.357 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.546 -2.509 -13.585 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.543 -2.038 -14.634 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.161 -1.569 -13.615 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.509 -0.433 -13.866 1.00 0.00 H new ATOM 1035 N TYR A 54 9.723 -3.001 -9.709 1.00 0.00 N ATOM 1036 CA TYR A 54 9.625 -3.828 -8.500 1.00 0.00 C ATOM 1037 C TYR A 54 8.773 -5.092 -8.665 1.00 0.00 C ATOM 1038 O TYR A 54 7.970 -5.160 -9.596 1.00 0.00 O ATOM 1039 CB TYR A 54 9.057 -2.972 -7.354 1.00 0.00 C ATOM 1040 CG TYR A 54 9.972 -1.862 -6.889 1.00 0.00 C ATOM 1041 CD1 TYR A 54 11.044 -2.149 -6.023 1.00 0.00 C ATOM 1042 CD2 TYR A 54 9.779 -0.552 -7.369 1.00 0.00 C ATOM 1043 CE1 TYR A 54 11.941 -1.133 -5.653 1.00 0.00 C ATOM 1044 CE2 TYR A 54 10.679 0.463 -7.004 1.00 0.00 C ATOM 1045 CZ TYR A 54 11.758 0.170 -6.149 1.00 0.00 C ATOM 1046 OH TYR A 54 12.659 1.132 -5.848 1.00 0.00 O ATOM 0 H TYR A 54 8.878 -3.043 -10.279 1.00 0.00 H new ATOM 0 HA TYR A 54 10.635 -4.175 -8.281 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.112 -2.536 -7.677 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.835 -3.622 -6.507 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.177 -3.151 -5.643 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.943 -0.329 -8.015 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.766 -1.351 -4.991 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.543 1.467 -7.379 1.00 0.00 H new ATOM 0 HH TYR A 54 12.710 1.775 -6.586 1.00 0.00 H new ATOM 1056 N THR A 55 8.922 -6.074 -7.774 1.00 0.00 N ATOM 1057 CA THR A 55 7.989 -7.215 -7.628 1.00 0.00 C ATOM 1058 C THR A 55 6.729 -6.885 -6.818 1.00 0.00 C ATOM 1059 O THR A 55 6.738 -5.923 -6.049 1.00 0.00 O ATOM 1060 CB THR A 55 8.655 -8.513 -7.131 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.630 -8.561 -5.719 1.00 0.00 O ATOM 1062 CG2 THR A 55 10.102 -8.703 -7.583 1.00 0.00 C ATOM 0 H THR A 55 9.703 -6.108 -7.119 1.00 0.00 H new ATOM 0 HA THR A 55 7.662 -7.410 -8.649 1.00 0.00 H new ATOM 0 HB THR A 55 8.071 -9.317 -7.579 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.054 -9.390 -5.412 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.487 -9.642 -7.186 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.143 -8.726 -8.672 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.710 -7.877 -7.214 1.00 0.00 H new ATOM 1070 N MET A 56 5.649 -7.678 -6.910 1.00 0.00 N ATOM 1071 CA MET A 56 4.459 -7.478 -6.060 1.00 0.00 C ATOM 1072 C MET A 56 4.790 -7.486 -4.559 1.00 0.00 C ATOM 1073 O MET A 56 4.278 -6.650 -3.812 1.00 0.00 O ATOM 1074 CB MET A 56 3.387 -8.541 -6.354 1.00 0.00 C ATOM 1075 CG MET A 56 2.884 -8.467 -7.797 1.00 0.00 C ATOM 1076 SD MET A 56 1.310 -9.302 -8.104 1.00 0.00 S ATOM 1077 CE MET A 56 0.306 -7.801 -8.133 1.00 0.00 C ATOM 0 H MET A 56 5.573 -8.460 -7.560 1.00 0.00 H new ATOM 0 HA MET A 56 4.073 -6.489 -6.309 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.798 -9.532 -6.164 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.548 -8.408 -5.671 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.782 -7.418 -8.076 1.00 0.00 H new ATOM 0 HG3 MET A 56 3.641 -8.899 -8.452 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.736 -8.064 -8.313 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.391 -7.288 -7.175 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.657 -7.144 -8.929 1.00 0.00 H new ATOM 1087 N LYS A 57 5.692 -8.378 -4.121 1.00 0.00 N ATOM 1088 CA LYS A 57 6.178 -8.451 -2.736 1.00 0.00 C ATOM 1089 C LYS A 57 6.976 -7.207 -2.350 1.00 0.00 C ATOM 1090 O LYS A 57 6.770 -6.670 -1.265 1.00 0.00 O ATOM 1091 CB LYS A 57 6.978 -9.755 -2.559 1.00 0.00 C ATOM 1092 CG LYS A 57 7.498 -10.006 -1.132 1.00 0.00 C ATOM 1093 CD LYS A 57 8.893 -9.417 -0.847 1.00 0.00 C ATOM 1094 CE LYS A 57 9.425 -9.827 0.533 1.00 0.00 C ATOM 1095 NZ LYS A 57 9.741 -11.277 0.600 1.00 0.00 N ATOM 0 H LYS A 57 6.111 -9.080 -4.731 1.00 0.00 H new ATOM 0 HA LYS A 57 5.330 -8.472 -2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.348 -10.594 -2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.827 -9.739 -3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.788 -9.585 -0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.528 -11.081 -0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.590 -9.749 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.846 -8.330 -0.908 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.321 -9.250 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.684 -9.582 1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.207 -11.489 1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.862 -11.828 0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.376 -11.530 -0.184 1.00 0.00 H new ATOM 1109 N GLU A 58 7.848 -6.718 -3.232 1.00 0.00 N ATOM 1110 CA GLU A 58 8.620 -5.488 -3.007 1.00 0.00 C ATOM 1111 C GLU A 58 7.736 -4.234 -2.905 1.00 0.00 C ATOM 1112 O GLU A 58 7.927 -3.425 -1.995 1.00 0.00 O ATOM 1113 CB GLU A 58 9.657 -5.307 -4.123 1.00 0.00 C ATOM 1114 CG GLU A 58 10.823 -6.303 -4.041 1.00 0.00 C ATOM 1115 CD GLU A 58 11.807 -6.164 -5.220 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.458 -5.565 -6.267 1.00 0.00 O ATOM 1117 OE2 GLU A 58 12.959 -6.644 -5.109 1.00 0.00 O ATOM 0 H GLU A 58 8.042 -7.164 -4.129 1.00 0.00 H new ATOM 0 HA GLU A 58 9.121 -5.602 -2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.163 -5.416 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.052 -4.292 -4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.360 -6.151 -3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.428 -7.319 -4.021 1.00 0.00 H new ATOM 1124 N VAL A 59 6.734 -4.087 -3.785 1.00 0.00 N ATOM 1125 CA VAL A 59 5.760 -2.981 -3.718 1.00 0.00 C ATOM 1126 C VAL A 59 4.948 -3.059 -2.423 1.00 0.00 C ATOM 1127 O VAL A 59 4.871 -2.062 -1.708 1.00 0.00 O ATOM 1128 CB VAL A 59 4.827 -2.946 -4.946 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.815 -1.800 -4.867 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.599 -2.735 -6.255 1.00 0.00 C ATOM 0 H VAL A 59 6.574 -4.728 -4.562 1.00 0.00 H new ATOM 0 HA VAL A 59 6.328 -2.051 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 59 4.326 -3.914 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.179 -1.814 -5.752 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.199 -1.920 -3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.345 -0.849 -4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.900 -2.717 -7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.137 -1.788 -6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.310 -3.550 -6.394 1.00 0.00 H new ATOM 1140 N LEU A 60 4.394 -4.230 -2.073 1.00 0.00 N ATOM 1141 CA LEU A 60 3.690 -4.439 -0.799 1.00 0.00 C ATOM 1142 C LEU A 60 4.588 -4.132 0.410 1.00 0.00 C ATOM 1143 O LEU A 60 4.129 -3.478 1.344 1.00 0.00 O ATOM 1144 CB LEU A 60 3.156 -5.883 -0.716 1.00 0.00 C ATOM 1145 CG LEU A 60 1.898 -6.150 -1.566 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.629 -7.654 -1.633 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.654 -5.485 -0.971 1.00 0.00 C ATOM 0 H LEU A 60 4.422 -5.059 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 60 2.852 -3.743 -0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.944 -6.567 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.931 -6.114 0.325 1.00 0.00 H new ATOM 0 HG LEU A 60 2.088 -5.735 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.739 -7.838 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.484 -8.157 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.472 -8.041 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.209 -5.699 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.477 -5.875 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.807 -4.407 -0.919 1.00 0.00 H new ATOM 1159 N PHE A 61 5.860 -4.535 0.395 1.00 0.00 N ATOM 1160 CA PHE A 61 6.845 -4.145 1.406 1.00 0.00 C ATOM 1161 C PHE A 61 7.022 -2.635 1.618 1.00 0.00 C ATOM 1162 O PHE A 61 6.799 -2.125 2.719 1.00 0.00 O ATOM 1163 CB PHE A 61 8.164 -4.919 1.238 1.00 0.00 C ATOM 1164 CG PHE A 61 9.354 -4.300 1.947 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.566 -4.549 3.317 1.00 0.00 C ATOM 1166 CD2 PHE A 61 10.230 -3.444 1.249 1.00 0.00 C ATOM 1167 CE1 PHE A 61 10.645 -3.942 3.986 1.00 0.00 C ATOM 1168 CE2 PHE A 61 11.308 -2.838 1.919 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.515 -3.086 3.288 1.00 0.00 C ATOM 0 H PHE A 61 6.239 -5.148 -0.327 1.00 0.00 H new ATOM 0 HA PHE A 61 6.413 -4.453 2.358 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.024 -5.934 1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.391 -4.997 0.175 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.899 -5.207 3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.073 -3.253 0.198 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.805 -4.134 5.037 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.977 -2.182 1.382 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.342 -2.619 3.803 1.00 0.00 H new ATOM 1179 N TYR A 62 7.351 -1.910 0.546 1.00 0.00 N ATOM 1180 CA TYR A 62 7.474 -0.452 0.569 1.00 0.00 C ATOM 1181 C TYR A 62 6.201 0.330 0.919 1.00 0.00 C ATOM 1182 O TYR A 62 6.241 1.267 1.716 1.00 0.00 O ATOM 1183 CB TYR A 62 8.121 0.056 -0.720 1.00 0.00 C ATOM 1184 CG TYR A 62 9.617 -0.147 -0.849 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.507 0.475 0.048 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.122 -0.919 -1.912 1.00 0.00 C ATOM 1187 CE1 TYR A 62 11.897 0.343 -0.129 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.508 -1.071 -2.080 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.404 -0.433 -1.194 1.00 0.00 C ATOM 1190 OH TYR A 62 13.749 -0.557 -1.360 1.00 0.00 O ATOM 0 H TYR A 62 7.541 -2.322 -0.368 1.00 0.00 H new ATOM 0 HA TYR A 62 8.131 -0.245 1.414 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.636 -0.436 -1.563 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.912 1.122 -0.810 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.122 1.055 0.874 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.441 -1.396 -2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.577 0.836 0.551 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.890 -1.677 -2.888 1.00 0.00 H new ATOM 0 HH TYR A 62 13.932 -1.125 -2.138 1.00 0.00 H new ATOM 1200 N LEU A 63 5.055 -0.090 0.376 1.00 0.00 N ATOM 1201 CA LEU A 63 3.737 0.459 0.690 1.00 0.00 C ATOM 1202 C LEU A 63 3.370 0.234 2.166 1.00 0.00 C ATOM 1203 O LEU A 63 2.936 1.165 2.842 1.00 0.00 O ATOM 1204 CB LEU A 63 2.725 -0.173 -0.282 1.00 0.00 C ATOM 1205 CG LEU A 63 1.252 0.178 -0.027 1.00 0.00 C ATOM 1206 CD1 LEU A 63 0.994 1.679 -0.081 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.385 -0.476 -1.099 1.00 0.00 C ATOM 0 H LEU A 63 5.020 -0.842 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 63 3.731 1.541 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.983 0.133 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.835 -1.257 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 63 1.007 -0.184 0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.062 1.874 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.595 2.179 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.264 2.059 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.662 -0.229 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.683 -0.109 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.514 -1.558 -1.061 1.00 0.00 H new ATOM 1219 N GLY A 64 3.624 -0.964 2.697 1.00 0.00 N ATOM 1220 CA GLY A 64 3.429 -1.279 4.113 1.00 0.00 C ATOM 1221 C GLY A 64 4.308 -0.437 5.035 1.00 0.00 C ATOM 1222 O GLY A 64 3.817 0.107 6.024 1.00 0.00 O ATOM 0 H GLY A 64 3.974 -1.750 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.382 -1.122 4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.644 -2.335 4.278 1.00 0.00 H new ATOM 1226 N GLN A 65 5.583 -0.241 4.690 1.00 0.00 N ATOM 1227 CA GLN A 65 6.509 0.632 5.379 1.00 0.00 C ATOM 1228 C GLN A 65 6.093 2.115 5.300 1.00 0.00 C ATOM 1229 O GLN A 65 6.310 2.854 6.264 1.00 0.00 O ATOM 1230 CB GLN A 65 7.861 0.303 4.734 1.00 0.00 C ATOM 1231 CG GLN A 65 8.964 1.336 4.839 1.00 0.00 C ATOM 1232 CD GLN A 65 9.593 1.447 6.228 1.00 0.00 C ATOM 1233 OE1 GLN A 65 10.633 0.871 6.517 1.00 0.00 O ATOM 1234 NE2 GLN A 65 8.914 2.037 7.190 1.00 0.00 N ATOM 0 H GLN A 65 6.006 -0.710 3.889 1.00 0.00 H new ATOM 0 HA GLN A 65 6.541 0.469 6.456 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.227 -0.623 5.177 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.688 0.104 3.676 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.744 1.092 4.118 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.562 2.309 4.556 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.044 2.524 6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.258 2.007 8.150 1.00 0.00 H new ATOM 1243 N TYR A 66 5.460 2.551 4.205 1.00 0.00 N ATOM 1244 CA TYR A 66 4.895 3.896 4.074 1.00 0.00 C ATOM 1245 C TYR A 66 3.686 4.110 4.990 1.00 0.00 C ATOM 1246 O TYR A 66 3.673 5.040 5.796 1.00 0.00 O ATOM 1247 CB TYR A 66 4.609 4.215 2.597 1.00 0.00 C ATOM 1248 CG TYR A 66 3.955 5.560 2.331 1.00 0.00 C ATOM 1249 CD1 TYR A 66 2.554 5.720 2.393 1.00 0.00 C ATOM 1250 CD2 TYR A 66 4.766 6.655 1.970 1.00 0.00 C ATOM 1251 CE1 TYR A 66 1.974 6.971 2.096 1.00 0.00 C ATOM 1252 CE2 TYR A 66 4.192 7.902 1.672 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.792 8.062 1.728 1.00 0.00 C ATOM 1254 OH TYR A 66 2.241 9.267 1.429 1.00 0.00 O ATOM 0 H TYR A 66 5.325 1.972 3.376 1.00 0.00 H new ATOM 0 HA TYR A 66 5.638 4.616 4.418 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.549 4.173 2.046 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.967 3.433 2.193 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.926 4.885 2.668 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.838 6.534 1.922 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.902 7.095 2.150 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.822 8.736 1.401 1.00 0.00 H new ATOM 0 HH TYR A 66 2.950 9.903 1.198 1.00 0.00 H new ATOM 1264 N ILE A 67 2.720 3.185 4.956 1.00 0.00 N ATOM 1265 CA ILE A 67 1.536 3.179 5.833 1.00 0.00 C ATOM 1266 C ILE A 67 1.942 3.143 7.316 1.00 0.00 C ATOM 1267 O ILE A 67 1.382 3.882 8.129 1.00 0.00 O ATOM 1268 CB ILE A 67 0.614 1.990 5.465 1.00 0.00 C ATOM 1269 CG1 ILE A 67 0.041 2.141 4.036 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.546 1.848 6.466 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.443 0.818 3.428 1.00 0.00 C ATOM 0 H ILE A 67 2.737 2.401 4.304 1.00 0.00 H new ATOM 0 HA ILE A 67 0.981 4.104 5.678 1.00 0.00 H new ATOM 0 HB ILE A 67 1.229 1.091 5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.789 2.847 4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.806 2.570 3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.174 1.004 6.178 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.145 1.678 7.465 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.142 2.761 6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.832 0.999 2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.390 0.117 3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.231 0.397 4.053 1.00 0.00 H new ATOM 1283 N MET A 68 2.956 2.336 7.651 1.00 0.00 N ATOM 1284 CA MET A 68 3.549 2.231 8.986 1.00 0.00 C ATOM 1285 C MET A 68 4.169 3.556 9.451 1.00 0.00 C ATOM 1286 O MET A 68 3.793 4.065 10.504 1.00 0.00 O ATOM 1287 CB MET A 68 4.586 1.095 8.988 1.00 0.00 C ATOM 1288 CG MET A 68 5.279 0.887 10.341 1.00 0.00 C ATOM 1289 SD MET A 68 6.709 -0.235 10.294 1.00 0.00 S ATOM 1290 CE MET A 68 5.905 -1.800 9.852 1.00 0.00 C ATOM 0 H MET A 68 3.401 1.716 6.974 1.00 0.00 H new ATOM 0 HA MET A 68 2.758 2.000 9.700 1.00 0.00 H new ATOM 0 HB2 MET A 68 4.094 0.167 8.697 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.343 1.306 8.232 1.00 0.00 H new ATOM 0 HG2 MET A 68 5.606 1.855 10.720 1.00 0.00 H new ATOM 0 HG3 MET A 68 4.550 0.496 11.051 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.647 -2.599 9.837 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.135 -2.034 10.587 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.450 -1.709 8.866 1.00 0.00 H new ATOM 1300 N THR A 69 5.091 4.139 8.673 1.00 0.00 N ATOM 1301 CA THR A 69 5.772 5.395 9.043 1.00 0.00 C ATOM 1302 C THR A 69 4.873 6.637 9.092 1.00 0.00 C ATOM 1303 O THR A 69 5.017 7.495 9.966 1.00 0.00 O ATOM 1304 CB THR A 69 7.069 5.600 8.241 1.00 0.00 C ATOM 1305 OG1 THR A 69 7.953 6.425 8.969 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.863 6.249 6.873 1.00 0.00 C ATOM 0 H THR A 69 5.387 3.759 7.774 1.00 0.00 H new ATOM 0 HA THR A 69 6.060 5.266 10.086 1.00 0.00 H new ATOM 0 HB THR A 69 7.470 4.600 8.079 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.778 6.552 8.456 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.826 6.358 6.373 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.209 5.622 6.268 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.408 7.231 7.001 1.00 0.00 H new ATOM 1314 N LYS A 70 3.874 6.693 8.198 1.00 0.00 N ATOM 1315 CA LYS A 70 2.811 7.713 8.163 1.00 0.00 C ATOM 1316 C LYS A 70 1.717 7.507 9.229 1.00 0.00 C ATOM 1317 O LYS A 70 0.914 8.413 9.456 1.00 0.00 O ATOM 1318 CB LYS A 70 2.203 7.732 6.750 1.00 0.00 C ATOM 1319 CG LYS A 70 3.176 8.188 5.644 1.00 0.00 C ATOM 1320 CD LYS A 70 3.042 9.668 5.260 1.00 0.00 C ATOM 1321 CE LYS A 70 1.700 9.919 4.561 1.00 0.00 C ATOM 1322 NZ LYS A 70 1.640 11.258 3.928 1.00 0.00 N ATOM 0 H LYS A 70 3.779 6.004 7.451 1.00 0.00 H new ATOM 0 HA LYS A 70 3.265 8.675 8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.842 6.732 6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.336 8.393 6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.198 8.001 5.975 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.011 7.577 4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.117 10.290 6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.862 9.955 4.601 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.538 9.153 3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.892 9.825 5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.775 11.333 3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.631 11.991 4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.472 11.391 3.318 1.00 0.00 H new ATOM 1336 N ARG A 71 1.679 6.330 9.873 1.00 0.00 N ATOM 1337 CA ARG A 71 0.709 5.901 10.906 1.00 0.00 C ATOM 1338 C ARG A 71 -0.755 6.047 10.460 1.00 0.00 C ATOM 1339 O ARG A 71 -1.597 6.555 11.203 1.00 0.00 O ATOM 1340 CB ARG A 71 1.007 6.563 12.268 1.00 0.00 C ATOM 1341 CG ARG A 71 2.471 6.417 12.717 1.00 0.00 C ATOM 1342 CD ARG A 71 2.637 6.647 14.224 1.00 0.00 C ATOM 1343 NE ARG A 71 2.138 5.485 14.983 1.00 0.00 N ATOM 1344 CZ ARG A 71 1.899 5.391 16.274 1.00 0.00 C ATOM 1345 NH1 ARG A 71 2.065 6.389 17.095 1.00 0.00 N ATOM 1346 NH2 ARG A 71 1.483 4.255 16.757 1.00 0.00 N ATOM 0 H ARG A 71 2.367 5.602 9.677 1.00 0.00 H new ATOM 0 HA ARG A 71 0.846 4.829 11.045 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.758 7.622 12.210 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.358 6.124 13.026 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.831 5.420 12.461 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.090 7.129 12.171 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.688 6.817 14.458 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.094 7.544 14.523 1.00 0.00 H new ATOM 0 HE ARG A 71 1.954 4.644 14.436 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.393 7.289 16.744 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.867 6.270 18.089 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.347 3.456 16.137 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.293 4.164 17.755 1.00 0.00 H new ATOM 1360 N LEU A 72 -1.055 5.629 9.226 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.382 5.794 8.602 1.00 0.00 C ATOM 1362 C LEU A 72 -3.448 4.815 9.127 1.00 0.00 C ATOM 1363 O LEU A 72 -4.625 4.954 8.794 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.268 5.707 7.067 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.286 6.705 6.437 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.153 6.455 4.938 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.734 8.146 6.658 1.00 0.00 C ATOM 0 H LEU A 72 -0.380 5.161 8.622 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.729 6.787 8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.961 4.697 6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.255 5.867 6.634 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.322 6.556 6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.453 7.172 4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.784 5.443 4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.127 6.570 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.015 8.825 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.715 8.296 6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.793 8.349 7.727 1.00 0.00 H new ATOM 1379 N TYR A 73 -3.066 3.829 9.939 1.00 0.00 N ATOM 1380 CA TYR A 73 -4.012 2.962 10.648 1.00 0.00 C ATOM 1381 C TYR A 73 -4.921 3.657 11.683 1.00 0.00 C ATOM 1382 O TYR A 73 -4.504 4.631 12.315 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.328 1.706 11.206 1.00 0.00 C ATOM 1384 CG TYR A 73 -2.022 1.972 11.935 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -2.056 2.422 13.269 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -0.784 1.798 11.284 1.00 0.00 C ATOM 1387 CE1 TYR A 73 -0.859 2.701 13.955 1.00 0.00 C ATOM 1388 CE2 TYR A 73 0.417 2.070 11.971 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.380 2.525 13.307 1.00 0.00 C ATOM 1390 OH TYR A 73 1.535 2.797 13.975 1.00 0.00 O ATOM 0 H TYR A 73 -2.088 3.607 10.125 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.715 2.649 9.876 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.015 1.206 11.889 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.137 1.016 10.384 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.005 2.554 13.768 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.755 1.457 10.260 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.890 3.050 14.977 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.366 1.930 11.475 1.00 0.00 H new ATOM 0 HH TYR A 73 2.301 2.623 13.389 1.00 0.00 H new ATOM 1400 N ASP A 74 -6.145 3.161 11.896 1.00 0.00 N ATOM 1401 CA ASP A 74 -6.986 3.608 13.021 1.00 0.00 C ATOM 1402 C ASP A 74 -6.343 3.256 14.381 1.00 0.00 C ATOM 1403 O ASP A 74 -5.677 2.228 14.501 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.403 3.028 12.920 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.308 3.418 14.098 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.255 4.586 14.549 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.059 2.544 14.584 1.00 0.00 O ATOM 0 H ASP A 74 -6.578 2.450 11.307 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.062 4.694 12.960 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.861 3.368 11.991 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.340 1.941 12.865 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.548 4.063 15.426 1.00 0.00 N ATOM 1413 CA GLU A 75 -6.006 3.772 16.764 1.00 0.00 C ATOM 1414 C GLU A 75 -6.667 2.530 17.401 1.00 0.00 C ATOM 1415 O GLU A 75 -5.998 1.773 18.113 1.00 0.00 O ATOM 1416 CB GLU A 75 -6.133 5.015 17.671 1.00 0.00 C ATOM 1417 CG GLU A 75 -7.567 5.299 18.149 1.00 0.00 C ATOM 1418 CD GLU A 75 -7.740 6.565 19.006 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -6.787 7.362 19.186 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -8.869 6.750 19.526 1.00 0.00 O ATOM 0 H GLU A 75 -7.087 4.927 15.374 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.948 3.533 16.654 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.491 4.883 18.542 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.763 5.886 17.130 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.213 5.382 17.275 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.916 4.441 18.724 1.00 0.00 H new ATOM 1427 N LYS A 76 -7.968 2.311 17.139 1.00 0.00 N ATOM 1428 CA LYS A 76 -8.783 1.234 17.730 1.00 0.00 C ATOM 1429 C LYS A 76 -8.708 -0.034 16.875 1.00 0.00 C ATOM 1430 O LYS A 76 -8.234 -1.069 17.345 1.00 0.00 O ATOM 1431 CB LYS A 76 -10.251 1.681 17.936 1.00 0.00 C ATOM 1432 CG LYS A 76 -10.407 3.104 18.499 1.00 0.00 C ATOM 1433 CD LYS A 76 -11.856 3.400 18.909 1.00 0.00 C ATOM 1434 CE LYS A 76 -12.139 4.897 19.129 1.00 0.00 C ATOM 1435 NZ LYS A 76 -11.301 5.512 20.192 1.00 0.00 N ATOM 0 H LYS A 76 -8.497 2.895 16.491 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.371 1.007 18.713 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.774 1.621 16.981 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.740 0.980 18.612 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.753 3.227 19.362 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.086 3.828 17.750 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.528 3.021 18.139 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.084 2.857 19.826 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.973 5.431 18.193 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.190 5.025 19.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.844 6.256 20.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.024 4.783 20.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.448 5.927 19.765 1.00 0.00 H new ATOM 1449 N GLN A 77 -9.127 0.055 15.609 1.00 0.00 N ATOM 1450 CA GLN A 77 -9.069 -1.034 14.631 1.00 0.00 C ATOM 1451 C GLN A 77 -7.809 -0.896 13.770 1.00 0.00 C ATOM 1452 O GLN A 77 -7.865 -0.450 12.627 1.00 0.00 O ATOM 1453 CB GLN A 77 -10.352 -1.064 13.778 1.00 0.00 C ATOM 1454 CG GLN A 77 -11.658 -1.252 14.566 1.00 0.00 C ATOM 1455 CD GLN A 77 -11.618 -2.382 15.596 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -11.742 -2.168 16.795 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -11.322 -3.606 15.203 1.00 0.00 N ATOM 0 H GLN A 77 -9.527 0.911 15.226 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.011 -1.988 15.156 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.417 -0.133 13.215 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.266 -1.871 13.050 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.897 -0.319 15.077 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.468 -1.447 13.863 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.213 -3.810 14.210 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.202 -4.348 15.893 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.651 -1.287 14.305 1.00 0.00 N ATOM 1467 CA GLN A 78 -5.348 -1.078 13.647 1.00 0.00 C ATOM 1468 C GLN A 78 -5.188 -1.881 12.339 1.00 0.00 C ATOM 1469 O GLN A 78 -4.302 -1.605 11.534 1.00 0.00 O ATOM 1470 CB GLN A 78 -4.221 -1.350 14.655 1.00 0.00 C ATOM 1471 CG GLN A 78 -4.190 -0.277 15.762 1.00 0.00 C ATOM 1472 CD GLN A 78 -3.433 -0.696 17.017 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -2.536 -1.529 16.999 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -3.758 -0.129 18.159 1.00 0.00 N ATOM 0 H GLN A 78 -6.584 -1.758 15.207 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.290 -0.036 13.331 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.360 -2.334 15.103 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.263 -1.368 14.136 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.734 0.629 15.362 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.214 -0.024 16.036 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.503 0.567 18.189 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.265 -0.385 19.014 1.00 0.00 H new ATOM 1483 N HIS A 79 -6.085 -2.841 12.094 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.235 -3.551 10.825 1.00 0.00 C ATOM 1485 C HIS A 79 -6.971 -2.731 9.736 1.00 0.00 C ATOM 1486 O HIS A 79 -7.118 -3.221 8.621 1.00 0.00 O ATOM 1487 CB HIS A 79 -6.943 -4.883 11.112 1.00 0.00 C ATOM 1488 CG HIS A 79 -8.407 -4.755 11.455 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -9.444 -4.590 10.562 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -8.964 -4.857 12.701 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -10.595 -4.567 11.253 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.356 -4.748 12.564 1.00 0.00 N ATOM 0 H HIS A 79 -6.750 -3.155 12.801 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.244 -3.726 10.406 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.843 -5.528 10.239 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.432 -5.381 11.936 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -9.353 -4.501 9.550 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.426 -4.997 13.627 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -11.573 -4.424 10.818 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.454 -1.515 10.027 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.085 -0.588 9.069 1.00 0.00 C ATOM 1502 C ILE A 80 -7.148 0.590 8.787 1.00 0.00 C ATOM 1503 O ILE A 80 -6.700 1.267 9.713 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.470 -0.099 9.565 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.375 -1.299 9.929 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.143 0.796 8.505 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.802 -0.937 10.364 1.00 0.00 C ATOM 0 H ILE A 80 -7.416 -1.133 10.972 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.258 -1.128 8.138 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.320 0.497 10.465 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.433 -1.963 9.067 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.899 -1.861 10.733 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.114 1.129 8.873 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.513 1.663 8.308 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.279 0.230 7.584 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.354 -1.848 10.597 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.762 -0.301 11.248 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.305 -0.405 9.556 1.00 0.00 H new ATOM 1519 N VAL A 81 -6.881 0.854 7.505 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.077 1.986 7.014 1.00 0.00 C ATOM 1521 C VAL A 81 -6.984 3.117 6.528 1.00 0.00 C ATOM 1522 O VAL A 81 -7.898 2.880 5.740 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.108 1.541 5.898 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.222 2.698 5.419 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.183 0.413 6.371 1.00 0.00 C ATOM 0 H VAL A 81 -7.230 0.265 6.749 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.477 2.358 7.844 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.737 1.192 5.079 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.554 2.344 4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.849 3.499 5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.632 3.074 6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.515 0.126 5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.594 0.758 7.221 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.782 -0.447 6.670 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.710 4.346 6.973 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.353 5.590 6.541 1.00 0.00 C ATOM 1537 C TYR A 82 -6.578 6.406 5.496 1.00 0.00 C ATOM 1538 O TYR A 82 -5.715 7.219 5.829 1.00 0.00 O ATOM 1539 CB TYR A 82 -7.866 6.406 7.737 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.165 5.880 8.319 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.154 4.769 9.187 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.388 6.489 7.973 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.363 4.263 9.702 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.599 5.985 8.487 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.590 4.870 9.353 1.00 0.00 C ATOM 1546 OH TYR A 82 -12.766 4.389 9.842 1.00 0.00 O ATOM 0 H TYR A 82 -5.995 4.509 7.682 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.232 5.282 5.974 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.104 6.411 8.516 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.010 7.441 7.425 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.217 4.305 9.457 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.397 7.344 7.313 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.352 3.410 10.364 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.535 6.452 8.218 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.508 4.929 9.499 1.00 0.00 H new ATOM 1556 N CYS A 83 -6.872 6.162 4.219 1.00 0.00 N ATOM 1557 CA CYS A 83 -6.196 6.754 3.062 1.00 0.00 C ATOM 1558 C CYS A 83 -6.668 8.197 2.757 1.00 0.00 C ATOM 1559 O CYS A 83 -6.041 8.891 1.956 1.00 0.00 O ATOM 1560 CB CYS A 83 -6.479 5.854 1.846 1.00 0.00 C ATOM 1561 SG CYS A 83 -6.415 4.078 2.235 1.00 0.00 S ATOM 0 H CYS A 83 -7.618 5.520 3.950 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.131 6.818 3.283 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -7.463 6.096 1.445 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.753 6.074 1.063 1.00 0.00 H new ATOM 0 HG CYS A 83 -6.666 3.389 1.161 1.00 0.00 H new ATOM 1567 N SER A 84 -7.786 8.637 3.350 1.00 0.00 N ATOM 1568 CA SER A 84 -8.456 9.915 3.062 1.00 0.00 C ATOM 1569 C SER A 84 -7.542 11.142 3.215 1.00 0.00 C ATOM 1570 O SER A 84 -6.728 11.219 4.141 1.00 0.00 O ATOM 1571 CB SER A 84 -9.682 10.068 3.969 1.00 0.00 C ATOM 1572 OG SER A 84 -10.424 11.220 3.606 1.00 0.00 O ATOM 0 H SER A 84 -8.266 8.095 4.068 1.00 0.00 H new ATOM 0 HA SER A 84 -8.751 9.880 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.312 9.182 3.892 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.366 10.144 5.009 1.00 0.00 H new ATOM 0 HG SER A 84 -11.205 11.304 4.192 1.00 0.00 H new ATOM 1578 N ASN A 85 -7.701 12.118 2.310 1.00 0.00 N ATOM 1579 CA ASN A 85 -6.953 13.385 2.242 1.00 0.00 C ATOM 1580 C ASN A 85 -5.413 13.243 2.127 1.00 0.00 C ATOM 1581 O ASN A 85 -4.672 14.184 2.422 1.00 0.00 O ATOM 1582 CB ASN A 85 -7.421 14.337 3.366 1.00 0.00 C ATOM 1583 CG ASN A 85 -8.897 14.699 3.282 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -9.465 14.894 2.215 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -9.557 14.864 4.407 1.00 0.00 N ATOM 0 H ASN A 85 -8.393 12.042 1.564 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.202 13.844 1.286 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.224 13.871 4.331 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.828 15.251 3.327 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.535 15.152 4.387 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.091 14.704 5.300 1.00 0.00 H new ATOM 1592 N ASP A 86 -4.923 12.078 1.690 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.502 11.750 1.517 1.00 0.00 C ATOM 1594 C ASP A 86 -3.162 11.180 0.118 1.00 0.00 C ATOM 1595 O ASP A 86 -4.060 10.751 -0.612 1.00 0.00 O ATOM 1596 CB ASP A 86 -3.057 10.850 2.686 1.00 0.00 C ATOM 1597 CG ASP A 86 -1.616 10.362 2.532 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -0.712 11.231 2.486 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -1.398 9.141 2.388 1.00 0.00 O ATOM 0 H ASP A 86 -5.534 11.302 1.435 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.921 12.672 1.551 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.153 11.401 3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.723 9.990 2.753 1.00 0.00 H new ATOM 1604 N LEU A 87 -1.873 11.121 -0.248 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.376 10.429 -1.448 1.00 0.00 C ATOM 1606 C LEU A 87 -1.923 8.994 -1.560 1.00 0.00 C ATOM 1607 O LEU A 87 -2.307 8.573 -2.650 1.00 0.00 O ATOM 1608 CB LEU A 87 0.166 10.455 -1.424 1.00 0.00 C ATOM 1609 CG LEU A 87 0.868 9.627 -2.523 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.540 10.095 -3.940 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.382 9.744 -2.353 1.00 0.00 C ATOM 0 H LEU A 87 -1.130 11.563 0.294 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.735 10.950 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.495 11.491 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.502 10.093 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 87 0.510 8.604 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.067 9.470 -4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.534 10.018 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.853 11.132 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.881 9.161 -3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.678 10.790 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.668 9.365 -1.372 1.00 0.00 H new ATOM 1623 N LEU A 88 -2.039 8.257 -0.447 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.580 6.895 -0.451 1.00 0.00 C ATOM 1625 C LEU A 88 -4.024 6.813 -0.983 1.00 0.00 C ATOM 1626 O LEU A 88 -4.376 5.856 -1.673 1.00 0.00 O ATOM 1627 CB LEU A 88 -2.482 6.322 0.972 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.827 4.827 1.041 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.812 3.980 0.281 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -2.831 4.343 2.486 1.00 0.00 C ATOM 0 H LEU A 88 -1.761 8.588 0.477 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.983 6.299 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.471 6.474 1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.154 6.875 1.628 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.813 4.715 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.089 2.928 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.798 4.281 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.822 4.124 0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.078 3.282 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.845 4.498 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.573 4.903 3.055 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.853 7.821 -0.695 1.00 0.00 N ATOM 1643 CA GLY A 89 -6.224 7.925 -1.201 1.00 0.00 C ATOM 1644 C GLY A 89 -6.290 8.193 -2.708 1.00 0.00 C ATOM 1645 O GLY A 89 -7.201 7.704 -3.377 1.00 0.00 O ATOM 0 H GLY A 89 -4.585 8.600 -0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.758 7.001 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.740 8.727 -0.673 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.293 8.889 -3.264 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.133 9.051 -4.714 1.00 0.00 C ATOM 1651 C ASP A 90 -4.773 7.759 -5.466 1.00 0.00 C ATOM 1652 O ASP A 90 -5.175 7.579 -6.618 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.186 10.217 -5.058 1.00 0.00 C ATOM 1654 CG ASP A 90 -4.775 11.624 -4.834 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.004 11.784 -4.641 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -3.991 12.603 -4.893 1.00 0.00 O ATOM 0 H ASP A 90 -4.570 9.358 -2.718 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.125 9.311 -5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.281 10.119 -4.458 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.888 10.127 -6.102 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.065 6.834 -4.801 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.840 5.474 -5.287 1.00 0.00 C ATOM 1663 C LEU A 91 -5.096 4.603 -5.114 1.00 0.00 C ATOM 1664 O LEU A 91 -5.691 4.184 -6.110 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.621 4.848 -4.575 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.226 5.245 -5.089 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -1.103 5.122 -6.607 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.774 6.636 -4.659 1.00 0.00 C ATOM 0 H LEU A 91 -3.628 7.017 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.627 5.523 -6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.678 5.107 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.710 3.764 -4.643 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.560 4.524 -4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.099 5.414 -6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.288 4.090 -6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.834 5.774 -7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.218 6.837 -5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.477 7.379 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.740 6.687 -3.571 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.509 4.315 -3.874 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.598 3.368 -3.593 1.00 0.00 C ATOM 1682 C PHE A 92 -8.028 3.756 -4.008 1.00 0.00 C ATOM 1683 O PHE A 92 -8.879 2.882 -4.182 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.508 2.789 -2.167 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.459 1.709 -1.949 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.500 0.517 -2.697 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.486 1.857 -0.944 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.559 -0.505 -2.466 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.567 0.823 -0.685 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.599 -0.355 -1.452 1.00 0.00 C ATOM 0 H PHE A 92 -5.099 4.730 -3.037 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.398 2.568 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.306 3.608 -1.476 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.482 2.380 -1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.259 0.385 -3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.444 2.769 -0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.576 -1.402 -3.067 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.837 0.934 0.103 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.886 -1.144 -1.262 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.305 5.052 -4.189 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.615 5.557 -4.627 1.00 0.00 C ATOM 1702 C GLY A 93 -10.734 5.445 -3.579 1.00 0.00 C ATOM 1703 O GLY A 93 -11.913 5.524 -3.932 1.00 0.00 O ATOM 0 H GLY A 93 -7.619 5.790 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.508 6.603 -4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.918 5.012 -5.521 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.382 5.255 -2.302 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.304 5.106 -1.158 1.00 0.00 C ATOM 1709 C VAL A 94 -10.788 5.929 0.034 1.00 0.00 C ATOM 1710 O VAL A 94 -9.578 6.147 0.151 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.450 3.630 -0.717 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.319 2.845 -1.701 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.121 2.884 -0.528 1.00 0.00 C ATOM 0 H VAL A 94 -9.404 5.198 -2.020 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.281 5.465 -1.480 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.926 3.685 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.404 1.811 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.311 3.294 -1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.862 2.870 -2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.320 1.858 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.570 2.879 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.528 3.385 0.238 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.676 6.368 0.950 1.00 0.00 N ATOM 1724 CA PRO A 95 -11.281 7.045 2.188 1.00 0.00 C ATOM 1725 C PRO A 95 -10.594 6.104 3.194 1.00 0.00 C ATOM 1726 O PRO A 95 -9.766 6.552 3.988 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.588 7.609 2.760 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.651 6.635 2.251 1.00 0.00 C ATOM 1729 CD PRO A 95 -13.128 6.260 0.869 1.00 0.00 C ATOM 0 HA PRO A 95 -10.540 7.819 1.989 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.566 7.646 3.849 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.774 8.624 2.410 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.745 5.763 2.899 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.635 7.101 2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.430 5.248 0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.528 6.927 0.105 1.00 0.00 H new ATOM 1737 N SER A 96 -10.920 4.808 3.164 1.00 0.00 N ATOM 1738 CA SER A 96 -10.361 3.771 4.040 1.00 0.00 C ATOM 1739 C SER A 96 -10.629 2.354 3.512 1.00 0.00 C ATOM 1740 O SER A 96 -11.506 2.153 2.665 1.00 0.00 O ATOM 1741 CB SER A 96 -10.939 3.904 5.459 1.00 0.00 C ATOM 1742 OG SER A 96 -12.349 3.726 5.467 1.00 0.00 O ATOM 0 H SER A 96 -11.605 4.438 2.505 1.00 0.00 H new ATOM 0 HA SER A 96 -9.282 3.922 4.061 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.475 3.166 6.113 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.693 4.886 5.862 1.00 0.00 H new ATOM 0 HG SER A 96 -12.685 3.815 6.383 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.895 1.361 4.025 1.00 0.00 N ATOM 1749 CA PHE A 97 -10.158 -0.068 3.794 1.00 0.00 C ATOM 1750 C PHE A 97 -9.596 -0.903 4.962 1.00 0.00 C ATOM 1751 O PHE A 97 -8.646 -0.498 5.638 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.520 -0.518 2.464 1.00 0.00 C ATOM 1753 CG PHE A 97 -8.000 -0.531 2.445 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -7.310 -1.684 2.863 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -7.273 0.599 2.027 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.905 -1.704 2.885 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.866 0.572 2.034 1.00 0.00 C ATOM 1758 CZ PHE A 97 -5.184 -0.579 2.462 1.00 0.00 C ATOM 0 H PHE A 97 -9.086 1.528 4.624 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.235 -0.223 3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.879 -1.520 2.229 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.871 0.141 1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.864 -2.559 3.169 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.795 1.487 1.701 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.382 -2.585 3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.309 1.439 1.709 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.104 -0.597 2.465 1.00 0.00 H new ATOM 1768 N SER A 98 -10.164 -2.093 5.190 1.00 0.00 N ATOM 1769 CA SER A 98 -9.616 -3.089 6.124 1.00 0.00 C ATOM 1770 C SER A 98 -8.606 -4.007 5.430 1.00 0.00 C ATOM 1771 O SER A 98 -8.918 -4.627 4.412 1.00 0.00 O ATOM 1772 CB SER A 98 -10.737 -3.915 6.754 1.00 0.00 C ATOM 1773 OG SER A 98 -10.192 -4.828 7.694 1.00 0.00 O ATOM 0 H SER A 98 -11.022 -2.396 4.730 1.00 0.00 H new ATOM 0 HA SER A 98 -9.095 -2.548 6.914 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.454 -3.257 7.246 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.281 -4.457 5.980 1.00 0.00 H new ATOM 0 HG SER A 98 -10.915 -5.354 8.096 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.408 -4.141 6.003 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.325 -5.030 5.537 1.00 0.00 C ATOM 1781 C VAL A 99 -6.750 -6.508 5.508 1.00 0.00 C ATOM 1782 O VAL A 99 -6.225 -7.286 4.714 1.00 0.00 O ATOM 1783 CB VAL A 99 -5.044 -4.820 6.366 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.850 -5.622 5.839 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.600 -3.349 6.396 1.00 0.00 C ATOM 0 H VAL A 99 -7.149 -3.615 6.838 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.105 -4.755 4.505 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.318 -5.164 7.364 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.979 -5.431 6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.087 -6.686 5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.633 -5.321 4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.693 -3.255 6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.403 -3.008 5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.389 -2.740 6.836 1.00 0.00 H new ATOM 1795 N LYS A 100 -7.761 -6.883 6.308 1.00 0.00 N ATOM 1796 CA LYS A 100 -8.391 -8.217 6.303 1.00 0.00 C ATOM 1797 C LYS A 100 -9.030 -8.590 4.959 1.00 0.00 C ATOM 1798 O LYS A 100 -9.132 -9.774 4.638 1.00 0.00 O ATOM 1799 CB LYS A 100 -9.445 -8.294 7.423 1.00 0.00 C ATOM 1800 CG LYS A 100 -8.836 -8.183 8.830 1.00 0.00 C ATOM 1801 CD LYS A 100 -9.929 -8.127 9.906 1.00 0.00 C ATOM 1802 CE LYS A 100 -9.293 -8.155 11.300 1.00 0.00 C ATOM 1803 NZ LYS A 100 -10.290 -7.906 12.374 1.00 0.00 N ATOM 0 H LYS A 100 -8.175 -6.252 6.994 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.594 -8.940 6.475 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.173 -7.495 7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.986 -9.237 7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.184 -9.036 9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.216 -7.289 8.891 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.523 -7.221 9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.609 -8.971 9.790 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.820 -9.123 11.463 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.506 -7.402 11.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.899 -8.211 13.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.511 -6.891 12.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.158 -8.442 12.172 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.442 -7.608 4.151 1.00 0.00 N ATOM 1818 CA GLU A 101 -9.987 -7.816 2.801 1.00 0.00 C ATOM 1819 C GLU A 101 -8.884 -8.057 1.752 1.00 0.00 C ATOM 1820 O GLU A 101 -8.812 -7.370 0.730 1.00 0.00 O ATOM 1821 CB GLU A 101 -10.924 -6.665 2.397 1.00 0.00 C ATOM 1822 CG GLU A 101 -12.121 -6.490 3.339 1.00 0.00 C ATOM 1823 CD GLU A 101 -13.290 -5.831 2.593 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -14.028 -6.554 1.879 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -13.455 -4.591 2.662 1.00 0.00 O ATOM 0 H GLU A 101 -9.406 -6.625 4.421 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.581 -8.729 2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.354 -5.736 2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.291 -6.844 1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.430 -7.459 3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.834 -5.878 4.194 1.00 0.00 H new ATOM 1832 N HIS A 102 -8.020 -9.052 1.984 1.00 0.00 N ATOM 1833 CA HIS A 102 -6.885 -9.385 1.110 1.00 0.00 C ATOM 1834 C HIS A 102 -7.312 -9.545 -0.363 1.00 0.00 C ATOM 1835 O HIS A 102 -6.709 -8.956 -1.256 1.00 0.00 O ATOM 1836 CB HIS A 102 -6.201 -10.666 1.621 1.00 0.00 C ATOM 1837 CG HIS A 102 -5.775 -10.640 3.072 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -4.763 -9.881 3.617 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -6.221 -11.471 4.066 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.614 -10.231 4.904 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -5.486 -11.201 5.229 1.00 0.00 N ATOM 0 H HIS A 102 -8.090 -9.661 2.799 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.179 -8.556 1.144 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -6.882 -11.504 1.475 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.322 -10.859 1.005 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -7.005 -12.208 3.970 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -3.895 -9.795 5.582 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -5.592 -11.650 6.139 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.436 -10.238 -0.602 1.00 0.00 N ATOM 1850 CA ARG A 103 -9.096 -10.411 -1.914 1.00 0.00 C ATOM 1851 C ARG A 103 -9.430 -9.104 -2.655 1.00 0.00 C ATOM 1852 O ARG A 103 -9.346 -9.064 -3.880 1.00 0.00 O ATOM 1853 CB ARG A 103 -10.368 -11.274 -1.729 1.00 0.00 C ATOM 1854 CG ARG A 103 -11.281 -10.780 -0.586 1.00 0.00 C ATOM 1855 CD ARG A 103 -12.706 -11.351 -0.622 1.00 0.00 C ATOM 1856 NE ARG A 103 -13.495 -10.917 0.555 1.00 0.00 N ATOM 1857 CZ ARG A 103 -13.808 -9.679 0.903 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -13.673 -8.655 0.115 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -14.267 -9.396 2.083 1.00 0.00 N ATOM 0 H ARG A 103 -8.936 -10.717 0.147 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.371 -10.911 -2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -10.934 -11.279 -2.660 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -10.074 -12.304 -1.530 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.822 -11.040 0.368 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.337 -9.692 -0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -13.206 -11.028 -1.535 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -12.662 -12.440 -0.651 1.00 0.00 H new ATOM 0 HE ARG A 103 -13.836 -11.658 1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -13.308 -8.782 -0.829 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.932 -7.724 0.440 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -14.395 -10.137 2.772 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -14.499 -8.432 2.322 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.798 -8.039 -1.932 1.00 0.00 N ATOM 1874 CA LYS A 104 -10.086 -6.704 -2.489 1.00 0.00 C ATOM 1875 C LYS A 104 -8.786 -5.944 -2.752 1.00 0.00 C ATOM 1876 O LYS A 104 -8.593 -5.393 -3.834 1.00 0.00 O ATOM 1877 CB LYS A 104 -11.024 -5.956 -1.522 1.00 0.00 C ATOM 1878 CG LYS A 104 -11.459 -4.571 -2.032 1.00 0.00 C ATOM 1879 CD LYS A 104 -12.344 -3.830 -1.015 1.00 0.00 C ATOM 1880 CE LYS A 104 -13.739 -4.461 -0.887 1.00 0.00 C ATOM 1881 NZ LYS A 104 -14.534 -3.827 0.197 1.00 0.00 N ATOM 0 H LYS A 104 -9.907 -8.079 -0.919 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.591 -6.793 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.911 -6.564 -1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.523 -5.839 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.575 -3.971 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.003 -4.685 -2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.855 -3.834 -0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.446 -2.788 -1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -14.271 -4.362 -1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.639 -5.528 -0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -15.469 -4.280 0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -14.039 -3.943 1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -14.652 -2.814 -0.006 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.862 -5.976 -1.791 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.555 -5.313 -1.893 1.00 0.00 C ATOM 1897 C ILE A 105 -5.743 -5.877 -3.063 1.00 0.00 C ATOM 1898 O ILE A 105 -5.173 -5.099 -3.824 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.797 -5.402 -0.552 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.569 -4.624 0.538 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.364 -4.846 -0.664 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -6.173 -5.027 1.958 1.00 0.00 C ATOM 0 H ILE A 105 -7.999 -6.468 -0.908 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.714 -4.255 -2.104 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.727 -6.456 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.393 -3.556 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.638 -4.789 0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.866 -4.928 0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.809 -5.417 -1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.402 -3.799 -0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.751 -4.445 2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.375 -6.088 2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.110 -4.836 2.107 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.750 -7.196 -3.285 1.00 0.00 N ATOM 1915 CA TYR A 106 -5.049 -7.813 -4.413 1.00 0.00 C ATOM 1916 C TYR A 106 -5.452 -7.280 -5.795 1.00 0.00 C ATOM 1917 O TYR A 106 -4.584 -6.945 -6.601 1.00 0.00 O ATOM 1918 CB TYR A 106 -5.154 -9.344 -4.352 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.453 -10.066 -3.210 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -3.234 -9.605 -2.668 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -5.046 -11.237 -2.694 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -2.632 -10.292 -1.597 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -4.439 -11.934 -1.634 1.00 0.00 C ATOM 1924 CZ TYR A 106 -3.232 -11.463 -1.081 1.00 0.00 C ATOM 1925 OH TYR A 106 -2.652 -12.152 -0.065 1.00 0.00 O ATOM 0 H TYR A 106 -6.241 -7.863 -2.689 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.006 -7.519 -4.297 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.212 -9.604 -4.312 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.763 -9.743 -5.288 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.762 -8.723 -3.076 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -5.972 -11.601 -3.115 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.711 -9.924 -1.169 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.898 -12.830 -1.244 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.709 -11.895 0.009 1.00 0.00 H new ATOM 1935 N THR A 107 -6.758 -7.125 -6.053 1.00 0.00 N ATOM 1936 CA THR A 107 -7.249 -6.499 -7.294 1.00 0.00 C ATOM 1937 C THR A 107 -6.975 -5.002 -7.431 1.00 0.00 C ATOM 1938 O THR A 107 -6.607 -4.527 -8.509 1.00 0.00 O ATOM 1939 CB THR A 107 -8.688 -6.913 -7.643 1.00 0.00 C ATOM 1940 OG1 THR A 107 -8.846 -6.947 -9.042 1.00 0.00 O ATOM 1941 CG2 THR A 107 -9.781 -5.996 -7.098 1.00 0.00 C ATOM 0 H THR A 107 -7.498 -7.425 -5.418 1.00 0.00 H new ATOM 0 HA THR A 107 -6.619 -6.924 -8.075 1.00 0.00 H new ATOM 0 HB THR A 107 -8.813 -7.888 -7.171 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.297 -7.778 -9.300 1.00 0.00 H new ATOM 0 HG21 THR A 107 -10.758 -6.375 -7.399 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.723 -5.967 -6.010 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.644 -4.990 -7.495 1.00 0.00 H new ATOM 1949 N MET A 108 -7.045 -4.253 -6.322 1.00 0.00 N ATOM 1950 CA MET A 108 -6.639 -2.841 -6.298 1.00 0.00 C ATOM 1951 C MET A 108 -5.137 -2.665 -6.573 1.00 0.00 C ATOM 1952 O MET A 108 -4.762 -1.792 -7.352 1.00 0.00 O ATOM 1953 CB MET A 108 -7.026 -2.170 -4.972 1.00 0.00 C ATOM 1954 CG MET A 108 -8.544 -2.064 -4.777 1.00 0.00 C ATOM 1955 SD MET A 108 -9.088 -0.885 -3.504 1.00 0.00 S ATOM 1956 CE MET A 108 -8.381 -1.599 -1.992 1.00 0.00 C ATOM 0 H MET A 108 -7.381 -4.604 -5.425 1.00 0.00 H new ATOM 0 HA MET A 108 -7.181 -2.347 -7.104 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.597 -2.737 -4.145 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.589 -1.172 -4.935 1.00 0.00 H new ATOM 0 HG2 MET A 108 -8.996 -1.780 -5.727 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.930 -3.051 -4.522 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.595 -0.945 -1.146 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.821 -2.580 -1.813 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.302 -1.701 -2.108 1.00 0.00 H new ATOM 1966 N MET A 109 -4.279 -3.522 -6.009 1.00 0.00 N ATOM 1967 CA MET A 109 -2.833 -3.524 -6.269 1.00 0.00 C ATOM 1968 C MET A 109 -2.512 -3.923 -7.714 1.00 0.00 C ATOM 1969 O MET A 109 -1.706 -3.262 -8.368 1.00 0.00 O ATOM 1970 CB MET A 109 -2.108 -4.455 -5.282 1.00 0.00 C ATOM 1971 CG MET A 109 -2.090 -3.916 -3.845 1.00 0.00 C ATOM 1972 SD MET A 109 -1.283 -2.310 -3.607 1.00 0.00 S ATOM 1973 CE MET A 109 0.444 -2.722 -3.971 1.00 0.00 C ATOM 0 H MET A 109 -4.572 -4.244 -5.350 1.00 0.00 H new ATOM 0 HA MET A 109 -2.475 -2.505 -6.123 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.592 -5.431 -5.291 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.083 -4.605 -5.620 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.119 -3.838 -3.495 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.591 -4.648 -3.210 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.075 -2.414 -3.138 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.538 -3.798 -4.119 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.759 -2.203 -4.876 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.183 -4.949 -8.247 1.00 0.00 N ATOM 1984 CA ALA A 110 -3.040 -5.371 -9.642 1.00 0.00 C ATOM 1985 C ALA A 110 -3.467 -4.274 -10.641 1.00 0.00 C ATOM 1986 O ALA A 110 -2.869 -4.137 -11.710 1.00 0.00 O ATOM 1987 CB ALA A 110 -3.863 -6.651 -9.830 1.00 0.00 C ATOM 0 H ALA A 110 -3.846 -5.514 -7.717 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.988 -5.560 -9.853 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.776 -6.991 -10.862 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.489 -7.425 -9.160 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.909 -6.448 -9.602 1.00 0.00 H new ATOM 1993 N SER A 111 -4.453 -3.446 -10.276 1.00 0.00 N ATOM 1994 CA SER A 111 -4.898 -2.289 -11.071 1.00 0.00 C ATOM 1995 C SER A 111 -3.874 -1.141 -11.138 1.00 0.00 C ATOM 1996 O SER A 111 -3.987 -0.276 -12.008 1.00 0.00 O ATOM 1997 CB SER A 111 -6.230 -1.750 -10.530 1.00 0.00 C ATOM 1998 OG SER A 111 -7.261 -2.715 -10.664 1.00 0.00 O ATOM 0 H SER A 111 -4.974 -3.561 -9.407 1.00 0.00 H new ATOM 0 HA SER A 111 -5.017 -2.662 -12.088 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.117 -1.477 -9.481 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.504 -0.842 -11.068 1.00 0.00 H new ATOM 0 HG SER A 111 -7.163 -3.397 -9.967 1.00 0.00 H new ATOM 2004 N MET A 112 -2.865 -1.118 -10.252 1.00 0.00 N ATOM 2005 CA MET A 112 -1.808 -0.094 -10.215 1.00 0.00 C ATOM 2006 C MET A 112 -0.546 -0.441 -11.025 1.00 0.00 C ATOM 2007 O MET A 112 0.446 0.291 -10.967 1.00 0.00 O ATOM 2008 CB MET A 112 -1.432 0.252 -8.766 1.00 0.00 C ATOM 2009 CG MET A 112 -2.606 0.828 -7.981 1.00 0.00 C ATOM 2010 SD MET A 112 -2.230 1.160 -6.242 1.00 0.00 S ATOM 2011 CE MET A 112 -3.931 1.331 -5.658 1.00 0.00 C ATOM 0 H MET A 112 -2.759 -1.826 -9.526 1.00 0.00 H new ATOM 0 HA MET A 112 -2.242 0.777 -10.705 1.00 0.00 H new ATOM 0 HB2 MET A 112 -1.068 -0.645 -8.264 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.613 0.971 -8.768 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.929 1.754 -8.456 1.00 0.00 H new ATOM 0 HG3 MET A 112 -3.444 0.133 -8.036 1.00 0.00 H new ATOM 0 HE1 MET A 112 -3.936 1.845 -4.697 1.00 0.00 H new ATOM 0 HE2 MET A 112 -4.508 1.908 -6.381 1.00 0.00 H new ATOM 0 HE3 MET A 112 -4.377 0.343 -5.543 1.00 0.00 H new ATOM 2021 N THR A 113 -0.559 -1.550 -11.770 1.00 0.00 N ATOM 2022 CA THR A 113 0.563 -2.054 -12.572 1.00 0.00 C ATOM 2023 C THR A 113 0.195 -2.291 -14.037 1.00 0.00 C ATOM 2024 O THR A 113 -0.799 -2.955 -14.348 1.00 0.00 O ATOM 2025 CB THR A 113 1.385 -3.167 -11.883 1.00 0.00 C ATOM 2026 OG1 THR A 113 0.922 -4.457 -12.217 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.400 -3.087 -10.350 1.00 0.00 C ATOM 0 H THR A 113 -1.384 -2.146 -11.834 1.00 0.00 H new ATOM 0 HA THR A 113 1.287 -1.240 -12.624 1.00 0.00 H new ATOM 0 HB THR A 113 2.394 -2.998 -12.258 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.572 -4.896 -12.804 1.00 0.00 H new ATOM 0 HG21 THR A 113 1.999 -3.905 -9.949 1.00 0.00 H new ATOM 0 HG22 THR A 113 1.831 -2.135 -10.040 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.381 -3.164 -9.972 1.00 0.00 H new ATOM 2035 N GLY A 114 0.967 -1.694 -14.948 1.00 0.00 N ATOM 2036 CA GLY A 114 0.616 -1.587 -16.371 1.00 0.00 C ATOM 2037 C GLY A 114 -0.675 -0.774 -16.596 1.00 0.00 C ATOM 2038 O GLY A 114 -1.151 -0.068 -15.702 1.00 0.00 O ATOM 0 H GLY A 114 1.864 -1.266 -14.718 1.00 0.00 H new ATOM 0 HA2 GLY A 114 1.438 -1.117 -16.911 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.491 -2.586 -16.788 1.00 0.00 H new ATOM 2042 N GLY A 115 -1.250 -0.859 -17.801 1.00 0.00 N ATOM 2043 CA GLY A 115 -2.593 -0.337 -18.114 1.00 0.00 C ATOM 2044 C GLY A 115 -2.789 1.188 -18.024 1.00 0.00 C ATOM 2045 O GLY A 115 -3.931 1.649 -17.972 1.00 0.00 O ATOM 0 H GLY A 115 -0.792 -1.298 -18.600 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -2.852 -0.653 -19.125 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.306 -0.811 -17.439 1.00 0.00 H new ATOM 2049 N GLN A 116 -1.708 1.978 -17.992 1.00 0.00 N ATOM 2050 CA GLN A 116 -1.755 3.445 -17.866 1.00 0.00 C ATOM 2051 C GLN A 116 -2.309 4.152 -19.126 1.00 0.00 C ATOM 2052 O GLN A 116 -2.832 5.265 -19.035 1.00 0.00 O ATOM 2053 CB GLN A 116 -0.342 3.931 -17.480 1.00 0.00 C ATOM 2054 CG GLN A 116 -0.168 5.454 -17.335 1.00 0.00 C ATOM 2055 CD GLN A 116 -1.044 6.102 -16.259 1.00 0.00 C ATOM 2056 OE1 GLN A 116 -1.445 5.500 -15.271 1.00 0.00 O ATOM 2057 NE2 GLN A 116 -1.351 7.375 -16.388 1.00 0.00 N ATOM 0 H GLN A 116 -0.758 1.611 -18.054 1.00 0.00 H new ATOM 0 HA GLN A 116 -2.465 3.715 -17.084 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -0.063 3.462 -16.536 1.00 0.00 H new ATOM 0 HB3 GLN A 116 0.361 3.575 -18.233 1.00 0.00 H new ATOM 0 HG2 GLN A 116 0.877 5.666 -17.109 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -0.388 5.923 -18.294 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -1.028 7.897 -17.202 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -1.912 7.839 -15.674 1.00 0.00 H new ATOM 2066 N GLN A 117 -2.223 3.510 -20.299 1.00 0.00 N ATOM 2067 CA GLN A 117 -2.777 4.006 -21.565 1.00 0.00 C ATOM 2068 C GLN A 117 -4.319 4.078 -21.537 1.00 0.00 C ATOM 2069 O GLN A 117 -4.987 3.167 -21.039 1.00 0.00 O ATOM 2070 CB GLN A 117 -2.261 3.118 -22.715 1.00 0.00 C ATOM 2071 CG GLN A 117 -2.769 3.547 -24.104 1.00 0.00 C ATOM 2072 CD GLN A 117 -2.130 2.774 -25.261 1.00 0.00 C ATOM 2073 OE1 GLN A 117 -1.355 1.837 -25.098 1.00 0.00 O ATOM 2074 NE2 GLN A 117 -2.435 3.134 -26.491 1.00 0.00 N ATOM 0 H GLN A 117 -1.755 2.609 -20.396 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.438 5.030 -21.724 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.171 3.136 -22.715 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.563 2.087 -22.530 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.850 3.413 -24.143 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -2.575 4.611 -24.239 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -3.077 3.910 -26.651 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.029 2.637 -27.284 1.00 0.00 H new ATOM 2083 N MET A 118 -4.885 5.148 -22.108 1.00 0.00 N ATOM 2084 CA MET A 118 -6.332 5.416 -22.189 1.00 0.00 C ATOM 2085 C MET A 118 -6.735 5.987 -23.562 1.00 0.00 C ATOM 2086 O MET A 118 -5.909 6.578 -24.267 1.00 0.00 O ATOM 2087 CB MET A 118 -6.761 6.373 -21.060 1.00 0.00 C ATOM 2088 CG MET A 118 -6.608 5.760 -19.661 1.00 0.00 C ATOM 2089 SD MET A 118 -7.145 6.825 -18.293 1.00 0.00 S ATOM 2090 CE MET A 118 -5.819 8.064 -18.302 1.00 0.00 C ATOM 0 H MET A 118 -4.328 5.882 -22.545 1.00 0.00 H new ATOM 0 HA MET A 118 -6.851 4.465 -22.067 1.00 0.00 H new ATOM 0 HB2 MET A 118 -6.165 7.284 -21.118 1.00 0.00 H new ATOM 0 HB3 MET A 118 -7.801 6.662 -21.212 1.00 0.00 H new ATOM 0 HG2 MET A 118 -7.178 4.831 -19.624 1.00 0.00 H new ATOM 0 HG3 MET A 118 -5.561 5.498 -19.508 1.00 0.00 H new ATOM 0 HE1 MET A 118 -5.941 8.734 -17.451 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.853 7.564 -18.234 1.00 0.00 H new ATOM 0 HE3 MET A 118 -5.865 8.640 -19.226 1.00 0.00 H new ATOM 2100 N GLY A 119 -8.010 5.822 -23.938 1.00 0.00 N ATOM 2101 CA GLY A 119 -8.587 6.282 -25.214 1.00 0.00 C ATOM 2102 C GLY A 119 -10.102 6.082 -25.290 1.00 0.00 C ATOM 2103 O GLY A 119 -10.555 4.923 -25.154 1.00 0.00 O ATOM 2104 OXT GLY A 119 -10.826 7.083 -25.482 1.00 0.00 O ATOM 0 H GLY A 119 -8.693 5.350 -23.345 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.358 7.339 -25.350 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.113 5.745 -26.036 1.00 0.00 H new TER 2108 GLY A 119