USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 95 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 8 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1.8) USER MOD Set 2.2: A 10 GLN : amide:sc= 0 X(o=-1.5,f=-1.8) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.206 (180deg=-0.855) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.898 (180deg=-0.0747) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.012) USER MOD Single : A 19 GLN : amide:sc= 0.515 K(o=0.52,f=-0.83) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.168 F(o=-0.75,f=-0.17) USER MOD Single : A 22 CYS SG : rot 180:sc= -0.165 USER MOD Single : A 23 ASN : amide:sc= -0.0246 X(o=-0.025,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 31 ASN : amide:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.455 K(o=-0.46,f=-3.3!) USER MOD Single : A 38 CYS SG : rot -34:sc= 0.876 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.237 F(o=-0.77,f=-0.24) USER MOD Single : A 46 GLN : amide:sc= 0.498 X(o=0.5,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 66:sc= 0.542 USER MOD Single : A 55 ASN : amide:sc= 0.978 K(o=0.98,f=0) USER MOD Single : A 57 HIS : no HE2:sc= -0.17 K(o=-0.17,f=-3.3!) USER MOD Single : A 58 CYS SG : rot 180:sc= -1.34 USER MOD Single : A 66 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-2.7) USER MOD Single : A 68 HIS : no HD1:sc= -0.0491 X(o=-0.049,f=-0.23) USER MOD Single : A 79 ASN : amide:sc= -0.207 K(o=-0.21,f=-4.5!) USER MOD Single : A 85 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-6.1!) USER MOD Single : A 86 CYS SG : rot 69:sc= 0.0986 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.295 X(o=-0.29,f=-0.081) USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0.0336 USER MOD Single : A 96 LYS NZ :NH3+ -139:sc= 0.816 (180deg=-0.359!) USER MOD Single : A 97 MET CE :methyl 162:sc= -0.0348 (180deg=-0.334) USER MOD Single : A 98 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0.00115 USER MOD Single : A 103 MET CE :methyl 165:sc= -0.445 (180deg=-0.782) USER MOD Single : A 110 ASN : amide:sc= 0.628 K(o=0.63,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.158 4.405 7.163 1.00 0.00 N ATOM 2 CA MET A 1 -21.002 3.754 7.790 1.00 0.00 C ATOM 3 C MET A 1 -21.351 2.296 8.024 1.00 0.00 C ATOM 4 O MET A 1 -22.527 1.964 8.186 1.00 0.00 O ATOM 5 CB MET A 1 -20.528 4.399 9.098 1.00 0.00 C ATOM 6 CG MET A 1 -21.595 4.541 10.190 1.00 0.00 C ATOM 7 SD MET A 1 -22.801 5.871 9.994 1.00 0.00 S ATOM 8 CE MET A 1 -21.690 7.290 9.943 1.00 0.00 C ATOM 0 H1 MET A 1 -21.852 4.903 6.303 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.868 3.687 6.913 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.575 5.087 7.828 1.00 0.00 H new ATOM 0 HA MET A 1 -20.163 3.868 7.104 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.703 3.808 9.496 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.131 5.389 8.872 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.139 3.599 10.256 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.086 4.683 11.143 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.239 8.192 10.215 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.872 7.137 10.647 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.287 7.401 8.936 1.00 0.00 H new ATOM 18 N GLY A 2 -20.337 1.439 8.091 1.00 0.00 N ATOM 19 CA GLY A 2 -20.496 0.045 8.437 1.00 0.00 C ATOM 20 C GLY A 2 -19.288 -0.718 7.932 1.00 0.00 C ATOM 21 O GLY A 2 -19.330 -1.257 6.824 1.00 0.00 O ATOM 0 H GLY A 2 -19.371 1.705 7.902 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -20.591 -0.069 9.517 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -21.408 -0.354 7.993 1.00 0.00 H new ATOM 25 N ALA A 3 -18.192 -0.691 8.692 1.00 0.00 N ATOM 26 CA ALA A 3 -16.921 -1.253 8.255 1.00 0.00 C ATOM 27 C ALA A 3 -17.077 -2.740 7.922 1.00 0.00 C ATOM 28 O ALA A 3 -17.672 -3.497 8.699 1.00 0.00 O ATOM 29 CB ALA A 3 -15.852 -1.041 9.331 1.00 0.00 C ATOM 0 H ALA A 3 -18.164 -0.279 9.625 1.00 0.00 H new ATOM 0 HA ALA A 3 -16.602 -0.738 7.349 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -14.906 -1.465 8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -15.726 0.026 9.514 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -16.161 -1.533 10.253 1.00 0.00 H new ATOM 35 N GLY A 4 -16.526 -3.163 6.791 1.00 0.00 N ATOM 36 CA GLY A 4 -16.531 -4.537 6.321 1.00 0.00 C ATOM 37 C GLY A 4 -15.889 -4.630 4.945 1.00 0.00 C ATOM 38 O GLY A 4 -15.669 -3.618 4.274 1.00 0.00 O ATOM 0 H GLY A 4 -16.045 -2.530 6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.991 -5.171 7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.555 -4.909 6.278 1.00 0.00 H new ATOM 42 N GLN A 5 -15.599 -5.862 4.527 1.00 0.00 N ATOM 43 CA GLN A 5 -14.930 -6.227 3.277 1.00 0.00 C ATOM 44 C GLN A 5 -13.509 -5.664 3.110 1.00 0.00 C ATOM 45 O GLN A 5 -12.907 -5.753 2.038 1.00 0.00 O ATOM 46 CB GLN A 5 -15.831 -5.887 2.080 1.00 0.00 C ATOM 47 CG GLN A 5 -15.963 -7.104 1.158 1.00 0.00 C ATOM 48 CD GLN A 5 -16.588 -6.778 -0.195 1.00 0.00 C ATOM 49 OE1 GLN A 5 -16.079 -7.195 -1.233 1.00 0.00 O ATOM 50 NE2 GLN A 5 -17.696 -6.055 -0.221 1.00 0.00 N ATOM 0 H GLN A 5 -15.839 -6.681 5.085 1.00 0.00 H new ATOM 0 HA GLN A 5 -14.776 -7.305 3.321 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -16.816 -5.579 2.432 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -15.413 -5.046 1.527 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -14.976 -7.537 0.998 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -16.568 -7.863 1.655 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -18.105 -5.717 0.650 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -18.141 -5.836 -1.112 1.00 0.00 H new ATOM 59 N THR A 6 -12.964 -5.084 4.164 1.00 0.00 N ATOM 60 CA THR A 6 -11.589 -4.620 4.244 1.00 0.00 C ATOM 61 C THR A 6 -10.607 -5.803 4.151 1.00 0.00 C ATOM 62 O THR A 6 -10.991 -6.934 4.475 1.00 0.00 O ATOM 63 CB THR A 6 -11.422 -3.817 5.544 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.036 -4.467 6.641 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.091 -2.446 5.397 1.00 0.00 C ATOM 0 H THR A 6 -13.488 -4.916 5.023 1.00 0.00 H new ATOM 0 HA THR A 6 -11.358 -3.968 3.401 1.00 0.00 H new ATOM 0 HB THR A 6 -10.352 -3.722 5.726 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.910 -3.931 7.451 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.970 -1.881 6.321 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.627 -1.901 4.575 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.153 -2.580 5.190 1.00 0.00 H new ATOM 73 N PRO A 7 -9.362 -5.566 3.693 1.00 0.00 N ATOM 74 CA PRO A 7 -8.349 -6.597 3.528 1.00 0.00 C ATOM 75 C PRO A 7 -7.706 -6.933 4.883 1.00 0.00 C ATOM 76 O PRO A 7 -6.699 -6.332 5.267 1.00 0.00 O ATOM 77 CB PRO A 7 -7.346 -6.025 2.527 1.00 0.00 C ATOM 78 CG PRO A 7 -7.389 -4.533 2.829 1.00 0.00 C ATOM 79 CD PRO A 7 -8.848 -4.292 3.206 1.00 0.00 C ATOM 0 HA PRO A 7 -8.760 -7.536 3.159 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.348 -6.439 2.671 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.634 -6.239 1.498 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.714 -4.268 3.643 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.094 -3.939 1.964 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.929 -3.522 3.973 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.420 -3.946 2.345 1.00 0.00 H new ATOM 87 N HIS A 8 -8.284 -7.907 5.585 1.00 0.00 N ATOM 88 CA HIS A 8 -7.947 -8.365 6.935 1.00 0.00 C ATOM 89 C HIS A 8 -8.433 -7.363 8.001 1.00 0.00 C ATOM 90 O HIS A 8 -8.359 -6.152 7.793 1.00 0.00 O ATOM 91 CB HIS A 8 -6.430 -8.607 7.079 1.00 0.00 C ATOM 92 CG HIS A 8 -6.063 -9.699 8.047 1.00 0.00 C ATOM 93 ND1 HIS A 8 -5.317 -9.544 9.193 1.00 0.00 N ATOM 94 CD2 HIS A 8 -6.407 -11.022 7.949 1.00 0.00 C ATOM 95 CE1 HIS A 8 -5.262 -10.732 9.811 1.00 0.00 C ATOM 96 NE2 HIS A 8 -5.912 -11.659 9.091 1.00 0.00 N ATOM 0 H HIS A 8 -9.062 -8.439 5.195 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.462 -9.312 7.096 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.019 -8.853 6.100 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.955 -7.680 7.400 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.956 -11.485 7.143 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.766 -10.916 10.753 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -6.024 -12.644 9.332 1.00 0.00 H new ATOM 104 N PRO A 9 -8.880 -7.825 9.184 1.00 0.00 N ATOM 105 CA PRO A 9 -9.377 -6.937 10.233 1.00 0.00 C ATOM 106 C PRO A 9 -8.262 -6.234 11.019 1.00 0.00 C ATOM 107 O PRO A 9 -8.532 -5.238 11.687 1.00 0.00 O ATOM 108 CB PRO A 9 -10.190 -7.847 11.157 1.00 0.00 C ATOM 109 CG PRO A 9 -9.488 -9.199 11.024 1.00 0.00 C ATOM 110 CD PRO A 9 -9.104 -9.216 9.552 1.00 0.00 C ATOM 0 HA PRO A 9 -9.961 -6.125 9.799 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.180 -7.488 12.186 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.234 -7.904 10.849 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.616 -9.271 11.674 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.147 -10.028 11.283 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.207 -9.813 9.389 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.895 -9.658 8.947 1.00 0.00 H new ATOM 118 N GLN A 10 -7.034 -6.763 10.996 1.00 0.00 N ATOM 119 CA GLN A 10 -5.921 -6.241 11.788 1.00 0.00 C ATOM 120 C GLN A 10 -5.114 -5.167 11.039 1.00 0.00 C ATOM 121 O GLN A 10 -4.332 -4.453 11.674 1.00 0.00 O ATOM 122 CB GLN A 10 -5.010 -7.403 12.199 1.00 0.00 C ATOM 123 CG GLN A 10 -5.599 -8.325 13.269 1.00 0.00 C ATOM 124 CD GLN A 10 -4.528 -9.305 13.737 1.00 0.00 C ATOM 125 OE1 GLN A 10 -4.335 -10.365 13.151 1.00 0.00 O ATOM 126 NE2 GLN A 10 -3.759 -8.939 14.748 1.00 0.00 N ATOM 0 H GLN A 10 -6.786 -7.570 10.423 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.337 -5.757 12.671 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.778 -7.996 11.314 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.068 -6.997 12.567 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.963 -7.737 14.112 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.454 -8.868 12.866 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.932 -8.055 15.226 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.993 -9.541 15.050 1.00 0.00 H new ATOM 135 N LEU A 11 -5.265 -5.050 9.714 1.00 0.00 N ATOM 136 CA LEU A 11 -4.696 -3.942 8.942 1.00 0.00 C ATOM 137 C LEU A 11 -5.312 -2.617 9.404 1.00 0.00 C ATOM 138 O LEU A 11 -6.515 -2.571 9.664 1.00 0.00 O ATOM 139 CB LEU A 11 -4.960 -4.200 7.448 1.00 0.00 C ATOM 140 CG LEU A 11 -4.543 -3.033 6.526 1.00 0.00 C ATOM 141 CD1 LEU A 11 -3.886 -3.577 5.259 1.00 0.00 C ATOM 142 CD2 LEU A 11 -5.739 -2.150 6.135 1.00 0.00 C ATOM 0 H LEU A 11 -5.785 -5.721 9.149 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.620 -3.876 9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.423 -5.099 7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.022 -4.400 7.306 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.836 -2.418 7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.595 -2.747 4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.002 -4.155 5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.591 -4.217 4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.399 -1.343 5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.479 -2.752 5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.189 -1.728 7.034 1.00 0.00 H new ATOM 154 N ILE A 12 -4.524 -1.536 9.458 1.00 0.00 N ATOM 155 CA ILE A 12 -4.979 -0.205 9.868 1.00 0.00 C ATOM 156 C ILE A 12 -4.593 0.796 8.785 1.00 0.00 C ATOM 157 O ILE A 12 -3.473 0.755 8.275 1.00 0.00 O ATOM 158 CB ILE A 12 -4.367 0.214 11.223 1.00 0.00 C ATOM 159 CG1 ILE A 12 -4.435 -0.868 12.318 1.00 0.00 C ATOM 160 CG2 ILE A 12 -5.014 1.521 11.711 1.00 0.00 C ATOM 161 CD1 ILE A 12 -5.842 -1.245 12.794 1.00 0.00 C ATOM 0 H ILE A 12 -3.534 -1.564 9.213 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.061 -0.227 9.995 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.304 0.367 11.037 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.945 -1.767 11.945 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.860 -0.525 13.178 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.576 1.809 12.667 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.838 2.309 10.979 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.087 1.372 11.833 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.772 -2.014 13.564 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.335 -0.364 13.205 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.421 -1.626 11.953 1.00 0.00 H new ATOM 173 N TRP A 13 -5.509 1.701 8.438 1.00 0.00 N ATOM 174 CA TRP A 13 -5.264 2.683 7.392 1.00 0.00 C ATOM 175 C TRP A 13 -4.379 3.849 7.880 1.00 0.00 C ATOM 176 O TRP A 13 -4.368 4.183 9.073 1.00 0.00 O ATOM 177 CB TRP A 13 -6.598 3.215 6.862 1.00 0.00 C ATOM 178 CG TRP A 13 -7.552 2.164 6.389 1.00 0.00 C ATOM 179 CD1 TRP A 13 -8.637 1.751 7.069 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.518 1.357 5.175 1.00 0.00 C ATOM 181 NE1 TRP A 13 -9.253 0.718 6.403 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.586 0.409 5.238 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.695 1.324 4.030 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.795 -0.557 4.245 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -6.916 0.372 3.017 1.00 0.00 C ATOM 186 CH2 TRP A 13 -7.947 -0.577 3.130 1.00 0.00 C ATOM 0 H TRP A 13 -6.430 1.771 8.871 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.721 2.184 6.590 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.080 3.795 7.649 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.398 3.900 6.039 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -8.976 2.171 8.005 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -10.094 0.242 6.729 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.888 2.035 3.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -9.597 -1.275 4.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.285 0.371 2.141 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -8.085 -1.320 2.359 1.00 0.00 H new ATOM 197 N PRO A 14 -3.700 4.540 6.950 1.00 0.00 N ATOM 198 CA PRO A 14 -3.577 4.147 5.551 1.00 0.00 C ATOM 199 C PRO A 14 -2.755 2.872 5.349 1.00 0.00 C ATOM 200 O PRO A 14 -1.995 2.473 6.238 1.00 0.00 O ATOM 201 CB PRO A 14 -2.867 5.298 4.873 1.00 0.00 C ATOM 202 CG PRO A 14 -2.059 5.943 5.986 1.00 0.00 C ATOM 203 CD PRO A 14 -3.025 5.811 7.162 1.00 0.00 C ATOM 0 HA PRO A 14 -4.566 3.936 5.144 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.224 4.949 4.065 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.576 6.001 4.436 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.117 5.424 6.166 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.814 6.983 5.768 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.493 5.822 8.113 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.736 6.637 7.184 1.00 0.00 H new ATOM 211 N ALA A 15 -2.900 2.285 4.159 1.00 0.00 N ATOM 212 CA ALA A 15 -2.178 1.112 3.684 1.00 0.00 C ATOM 213 C ALA A 15 -1.630 1.368 2.272 1.00 0.00 C ATOM 214 O ALA A 15 -1.884 2.424 1.684 1.00 0.00 O ATOM 215 CB ALA A 15 -3.115 -0.094 3.703 1.00 0.00 C ATOM 0 H ALA A 15 -3.561 2.638 3.467 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.331 0.907 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.581 -0.975 3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.465 -0.267 4.721 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.969 0.098 3.053 1.00 0.00 H new ATOM 221 N LEU A 16 -0.794 0.460 1.769 1.00 0.00 N ATOM 222 CA LEU A 16 -0.074 0.575 0.500 1.00 0.00 C ATOM 223 C LEU A 16 -0.060 -0.803 -0.149 1.00 0.00 C ATOM 224 O LEU A 16 0.619 -1.716 0.336 1.00 0.00 O ATOM 225 CB LEU A 16 1.364 1.098 0.714 1.00 0.00 C ATOM 226 CG LEU A 16 1.472 2.636 0.642 1.00 0.00 C ATOM 227 CD1 LEU A 16 2.724 3.138 1.371 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.538 3.142 -0.801 1.00 0.00 C ATOM 0 H LEU A 16 -0.591 -0.413 2.255 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.574 1.295 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.725 0.761 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.018 0.659 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 16 0.572 3.022 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.773 4.225 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.678 2.841 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.612 2.705 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.613 4.229 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.411 2.717 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.636 2.840 -1.334 1.00 0.00 H new ATOM 240 N LEU A 17 -0.850 -0.975 -1.207 1.00 0.00 N ATOM 241 CA LEU A 17 -0.797 -2.146 -2.082 1.00 0.00 C ATOM 242 C LEU A 17 0.310 -1.895 -3.113 1.00 0.00 C ATOM 243 O LEU A 17 0.557 -0.736 -3.463 1.00 0.00 O ATOM 244 CB LEU A 17 -2.181 -2.309 -2.733 1.00 0.00 C ATOM 245 CG LEU A 17 -2.387 -3.553 -3.624 1.00 0.00 C ATOM 246 CD1 LEU A 17 -2.962 -4.714 -2.804 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.353 -3.196 -4.759 1.00 0.00 C ATOM 0 H LEU A 17 -1.557 -0.294 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.567 -3.068 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.929 -2.331 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.380 -1.423 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.426 -3.863 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.100 -5.582 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.273 -4.967 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.922 -4.420 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.506 -4.068 -5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.308 -2.882 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.933 -2.384 -5.352 1.00 0.00 H new ATOM 259 N LYS A 18 0.964 -2.937 -3.636 1.00 0.00 N ATOM 260 CA LYS A 18 1.907 -2.792 -4.746 1.00 0.00 C ATOM 261 C LYS A 18 1.722 -4.015 -5.630 1.00 0.00 C ATOM 262 O LYS A 18 2.355 -5.041 -5.378 1.00 0.00 O ATOM 263 CB LYS A 18 3.351 -2.624 -4.229 1.00 0.00 C ATOM 264 CG LYS A 18 4.206 -1.723 -5.123 1.00 0.00 C ATOM 265 CD LYS A 18 4.503 -2.290 -6.510 1.00 0.00 C ATOM 266 CE LYS A 18 5.174 -3.661 -6.484 1.00 0.00 C ATOM 267 NZ LYS A 18 6.479 -3.673 -5.797 1.00 0.00 N ATOM 0 H LYS A 18 0.855 -3.896 -3.305 1.00 0.00 H new ATOM 0 HA LYS A 18 1.714 -1.890 -5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.324 -2.207 -3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.821 -3.605 -4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.700 -0.765 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.151 -1.525 -4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.571 -2.363 -7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.144 -1.592 -7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.509 -4.371 -5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.310 -4.008 -7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.913 -4.613 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.103 -2.959 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.343 -3.455 -4.789 1.00 0.00 H new ATOM 281 N GLN A 19 0.841 -3.896 -6.622 1.00 0.00 N ATOM 282 CA GLN A 19 0.355 -5.007 -7.424 1.00 0.00 C ATOM 283 C GLN A 19 1.508 -5.868 -7.915 1.00 0.00 C ATOM 284 O GLN A 19 2.519 -5.324 -8.374 1.00 0.00 O ATOM 285 CB GLN A 19 -0.428 -4.486 -8.630 1.00 0.00 C ATOM 286 CG GLN A 19 -1.863 -4.083 -8.289 1.00 0.00 C ATOM 287 CD GLN A 19 -2.862 -4.915 -9.085 1.00 0.00 C ATOM 288 OE1 GLN A 19 -2.978 -4.780 -10.306 1.00 0.00 O ATOM 289 NE2 GLN A 19 -3.558 -5.814 -8.423 1.00 0.00 N ATOM 0 H GLN A 19 0.438 -2.999 -6.894 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.298 -5.612 -6.795 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.094 -3.626 -9.050 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.447 -5.255 -9.402 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.040 -4.217 -7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.010 -3.025 -8.506 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.444 -5.906 -7.414 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.212 -6.419 -8.919 1.00 0.00 H new ATOM 298 N GLN A 20 1.357 -7.195 -7.831 1.00 0.00 N ATOM 299 CA GLN A 20 2.438 -8.120 -8.108 1.00 0.00 C ATOM 300 C GLN A 20 2.856 -8.082 -9.581 1.00 0.00 C ATOM 301 O GLN A 20 2.344 -8.815 -10.425 1.00 0.00 O ATOM 302 CB GLN A 20 2.080 -9.535 -7.627 1.00 0.00 C ATOM 303 CG GLN A 20 3.386 -10.276 -7.348 1.00 0.00 C ATOM 304 CD GLN A 20 3.187 -11.745 -6.998 1.00 0.00 C ATOM 305 OE1 GLN A 20 3.747 -12.196 -5.885 1.00 0.00 O flip ATOM 306 NE2 GLN A 20 2.620 -12.519 -7.757 1.00 0.00 N flip ATOM 0 H GLN A 20 0.481 -7.647 -7.569 1.00 0.00 H new ATOM 0 HA GLN A 20 3.312 -7.801 -7.541 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.467 -9.489 -6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.497 -10.060 -8.384 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.030 -10.203 -8.224 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.907 -9.782 -6.528 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.189 -12.170 -8.613 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.578 -13.513 -7.533 1.00 0.00 H new ATOM 315 N GLY A 21 3.831 -7.236 -9.892 1.00 0.00 N ATOM 316 CA GLY A 21 4.353 -7.025 -11.229 1.00 0.00 C ATOM 317 C GLY A 21 4.575 -5.546 -11.480 1.00 0.00 C ATOM 318 O GLY A 21 5.613 -5.167 -12.024 1.00 0.00 O ATOM 0 H GLY A 21 4.294 -6.658 -9.191 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.291 -7.566 -11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.657 -7.425 -11.966 1.00 0.00 H new ATOM 322 N CYS A 22 3.644 -4.708 -11.016 1.00 0.00 N ATOM 323 CA CYS A 22 3.756 -3.273 -11.148 1.00 0.00 C ATOM 324 C CYS A 22 4.934 -2.757 -10.328 1.00 0.00 C ATOM 325 O CYS A 22 5.545 -3.488 -9.547 1.00 0.00 O ATOM 326 CB CYS A 22 2.440 -2.611 -10.719 1.00 0.00 C ATOM 327 SG CYS A 22 1.050 -3.257 -11.693 1.00 0.00 S ATOM 0 H CYS A 22 2.796 -5.016 -10.540 1.00 0.00 H new ATOM 0 HA CYS A 22 3.943 -3.017 -12.191 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.264 -2.794 -9.659 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.511 -1.531 -10.849 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.052 -2.683 -11.310 1.00 0.00 H new ATOM 333 N ASN A 23 5.231 -1.469 -10.477 1.00 0.00 N ATOM 334 CA ASN A 23 6.279 -0.795 -9.714 1.00 0.00 C ATOM 335 C ASN A 23 5.670 0.373 -8.956 1.00 0.00 C ATOM 336 O ASN A 23 6.099 0.689 -7.850 1.00 0.00 O ATOM 337 CB ASN A 23 7.401 -0.283 -10.641 1.00 0.00 C ATOM 338 CG ASN A 23 7.942 -1.358 -11.563 1.00 0.00 C ATOM 339 OD1 ASN A 23 8.919 -2.026 -11.239 1.00 0.00 O ATOM 340 ND2 ASN A 23 7.301 -1.568 -12.697 1.00 0.00 N ATOM 0 H ASN A 23 4.748 -0.858 -11.136 1.00 0.00 H new ATOM 0 HA ASN A 23 6.716 -1.509 -9.016 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.021 0.545 -11.240 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.216 0.111 -10.033 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.615 -2.302 -13.332 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.492 -0.996 -12.939 1.00 0.00 H new ATOM 347 N GLU A 24 4.644 0.990 -9.537 1.00 0.00 N ATOM 348 CA GLU A 24 3.813 1.986 -8.897 1.00 0.00 C ATOM 349 C GLU A 24 3.139 1.345 -7.682 1.00 0.00 C ATOM 350 O GLU A 24 2.700 0.192 -7.732 1.00 0.00 O ATOM 351 CB GLU A 24 2.792 2.446 -9.947 1.00 0.00 C ATOM 352 CG GLU A 24 1.979 3.675 -9.535 1.00 0.00 C ATOM 353 CD GLU A 24 0.613 3.659 -10.229 1.00 0.00 C ATOM 354 OE1 GLU A 24 0.475 4.120 -11.374 1.00 0.00 O ATOM 355 OE2 GLU A 24 -0.330 3.088 -9.626 1.00 0.00 O ATOM 0 H GLU A 24 4.365 0.798 -10.499 1.00 0.00 H new ATOM 0 HA GLU A 24 4.379 2.847 -8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.317 2.667 -10.876 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.107 1.624 -10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.846 3.687 -8.453 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.520 4.584 -9.800 1.00 0.00 H new ATOM 362 N LEU A 25 3.089 2.082 -6.575 1.00 0.00 N ATOM 363 CA LEU A 25 2.298 1.750 -5.402 1.00 0.00 C ATOM 364 C LEU A 25 0.903 2.318 -5.571 1.00 0.00 C ATOM 365 O LEU A 25 0.734 3.343 -6.224 1.00 0.00 O ATOM 366 CB LEU A 25 2.940 2.372 -4.163 1.00 0.00 C ATOM 367 CG LEU A 25 4.247 1.654 -3.781 1.00 0.00 C ATOM 368 CD1 LEU A 25 5.308 2.679 -3.417 1.00 0.00 C ATOM 369 CD2 LEU A 25 4.031 0.665 -2.632 1.00 0.00 C ATOM 0 H LEU A 25 3.614 2.950 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 25 2.251 0.667 -5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.144 3.426 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.241 2.325 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 25 4.586 1.079 -4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.231 2.167 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.491 3.332 -4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.963 3.275 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.975 0.177 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.663 1.200 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.300 -0.087 -2.931 1.00 0.00 H new ATOM 381 N LEU A 26 -0.056 1.689 -4.904 1.00 0.00 N ATOM 382 CA LEU A 26 -1.448 2.084 -4.829 1.00 0.00 C ATOM 383 C LEU A 26 -1.683 2.523 -3.370 1.00 0.00 C ATOM 384 O LEU A 26 -1.921 1.673 -2.505 1.00 0.00 O ATOM 385 CB LEU A 26 -2.332 0.940 -5.322 1.00 0.00 C ATOM 386 CG LEU A 26 -3.815 1.229 -5.620 1.00 0.00 C ATOM 387 CD1 LEU A 26 -4.634 1.511 -4.367 1.00 0.00 C ATOM 388 CD2 LEU A 26 -4.027 2.351 -6.636 1.00 0.00 C ATOM 0 H LEU A 26 0.133 0.840 -4.371 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.709 2.920 -5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.883 0.544 -6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.293 0.147 -4.576 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.178 0.303 -6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.669 1.707 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.594 0.647 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.226 2.382 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.095 2.499 -6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.586 3.273 -6.257 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.552 2.082 -7.579 1.00 0.00 H new ATOM 400 N PRO A 27 -1.417 3.798 -3.036 1.00 0.00 N ATOM 401 CA PRO A 27 -1.700 4.373 -1.724 1.00 0.00 C ATOM 402 C PRO A 27 -3.197 4.293 -1.448 1.00 0.00 C ATOM 403 O PRO A 27 -4.015 4.499 -2.342 1.00 0.00 O ATOM 404 CB PRO A 27 -1.229 5.829 -1.813 1.00 0.00 C ATOM 405 CG PRO A 27 -1.387 6.171 -3.291 1.00 0.00 C ATOM 406 CD PRO A 27 -1.110 4.846 -3.993 1.00 0.00 C ATOM 0 HA PRO A 27 -1.197 3.846 -0.913 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.832 6.484 -1.184 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.195 5.936 -1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.388 6.541 -3.513 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.685 6.945 -3.602 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.724 4.746 -4.888 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.069 4.787 -4.312 1.00 0.00 H new ATOM 414 N LEU A 28 -3.547 3.986 -0.200 1.00 0.00 N ATOM 415 CA LEU A 28 -4.920 3.826 0.237 1.00 0.00 C ATOM 416 C LEU A 28 -5.060 4.611 1.524 1.00 0.00 C ATOM 417 O LEU A 28 -4.692 4.117 2.593 1.00 0.00 O ATOM 418 CB LEU A 28 -5.259 2.343 0.429 1.00 0.00 C ATOM 419 CG LEU A 28 -5.294 1.572 -0.902 1.00 0.00 C ATOM 420 CD1 LEU A 28 -4.862 0.119 -0.698 1.00 0.00 C ATOM 421 CD2 LEU A 28 -6.691 1.672 -1.512 1.00 0.00 C ATOM 0 H LEU A 28 -2.866 3.840 0.545 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.621 4.200 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.522 1.887 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.227 2.255 0.922 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.585 2.018 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.894 -0.407 -1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.846 0.093 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.537 -0.366 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.716 1.126 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.420 1.243 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.935 2.719 -1.692 1.00 0.00 H new ATOM 433 N ARG A 29 -5.559 5.844 1.413 1.00 0.00 N ATOM 434 CA ARG A 29 -5.759 6.757 2.540 1.00 0.00 C ATOM 435 C ARG A 29 -6.590 6.096 3.634 1.00 0.00 C ATOM 436 O ARG A 29 -6.268 6.192 4.814 1.00 0.00 O ATOM 437 CB ARG A 29 -6.475 8.026 2.040 1.00 0.00 C ATOM 438 CG ARG A 29 -5.574 8.956 1.213 1.00 0.00 C ATOM 439 CD ARG A 29 -6.397 9.857 0.285 1.00 0.00 C ATOM 440 NE ARG A 29 -5.946 11.257 0.272 1.00 0.00 N ATOM 441 CZ ARG A 29 -6.202 12.170 1.218 1.00 0.00 C ATOM 442 NH1 ARG A 29 -6.759 11.839 2.379 1.00 0.00 N ATOM 443 NH2 ARG A 29 -5.917 13.443 1.005 1.00 0.00 N ATOM 0 H ARG A 29 -5.841 6.244 0.518 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.787 7.017 2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.334 7.734 1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.861 8.577 2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.974 9.573 1.882 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.880 8.360 0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.350 9.460 -0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.442 9.823 0.593 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.389 11.559 -0.528 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.004 10.867 2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.942 12.557 3.080 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.502 13.731 0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.113 14.137 1.726 1.00 0.00 H new ATOM 457 N THR A 30 -7.675 5.438 3.242 1.00 0.00 N ATOM 458 CA THR A 30 -8.667 4.882 4.141 1.00 0.00 C ATOM 459 C THR A 30 -9.401 3.763 3.399 1.00 0.00 C ATOM 460 O THR A 30 -9.193 3.530 2.205 1.00 0.00 O ATOM 461 CB THR A 30 -9.579 6.022 4.654 1.00 0.00 C ATOM 462 OG1 THR A 30 -10.617 5.531 5.478 1.00 0.00 O ATOM 463 CG2 THR A 30 -10.220 6.808 3.507 1.00 0.00 C ATOM 0 H THR A 30 -7.891 5.274 2.259 1.00 0.00 H new ATOM 0 HA THR A 30 -8.224 4.435 5.031 1.00 0.00 H new ATOM 0 HB THR A 30 -8.928 6.681 5.229 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.172 6.278 5.785 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.851 7.597 3.915 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.439 7.251 2.888 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.827 6.136 2.900 1.00 0.00 H new ATOM 471 N ASN A 31 -10.330 3.105 4.084 1.00 0.00 N ATOM 472 CA ASN A 31 -11.245 2.146 3.487 1.00 0.00 C ATOM 473 C ASN A 31 -12.052 2.769 2.345 1.00 0.00 C ATOM 474 O ASN A 31 -12.302 2.091 1.356 1.00 0.00 O ATOM 475 CB ASN A 31 -12.173 1.597 4.571 1.00 0.00 C ATOM 476 CG ASN A 31 -13.375 0.864 3.993 1.00 0.00 C ATOM 477 OD1 ASN A 31 -14.510 1.248 4.260 1.00 0.00 O ATOM 478 ND2 ASN A 31 -13.147 -0.182 3.217 1.00 0.00 N ATOM 0 H ASN A 31 -10.469 3.227 5.087 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.664 1.331 3.056 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.613 0.919 5.215 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.520 2.418 5.198 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.929 -0.700 2.817 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.189 -0.470 3.018 1.00 0.00 H new ATOM 485 N ASP A 32 -12.421 4.051 2.422 1.00 0.00 N ATOM 486 CA ASP A 32 -13.147 4.711 1.327 1.00 0.00 C ATOM 487 C ASP A 32 -12.305 4.765 0.041 1.00 0.00 C ATOM 488 O ASP A 32 -12.853 4.988 -1.037 1.00 0.00 O ATOM 489 CB ASP A 32 -13.589 6.133 1.718 1.00 0.00 C ATOM 490 CG ASP A 32 -14.606 6.158 2.853 1.00 0.00 C ATOM 491 OD1 ASP A 32 -15.778 5.786 2.607 1.00 0.00 O ATOM 492 OD2 ASP A 32 -14.237 6.542 3.987 1.00 0.00 O ATOM 0 H ASP A 32 -12.232 4.651 3.225 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.036 4.110 1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.713 6.710 2.012 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.017 6.626 0.845 1.00 0.00 H new ATOM 497 N ASP A 33 -10.983 4.579 0.131 1.00 0.00 N ATOM 498 CA ASP A 33 -10.051 4.505 -0.998 1.00 0.00 C ATOM 499 C ASP A 33 -10.090 3.086 -1.588 1.00 0.00 C ATOM 500 O ASP A 33 -10.228 2.886 -2.798 1.00 0.00 O ATOM 501 CB ASP A 33 -8.636 4.864 -0.497 1.00 0.00 C ATOM 502 CG ASP A 33 -7.761 5.549 -1.546 1.00 0.00 C ATOM 503 OD1 ASP A 33 -7.978 5.339 -2.754 1.00 0.00 O ATOM 504 OD2 ASP A 33 -6.922 6.385 -1.124 1.00 0.00 O ATOM 0 H ASP A 33 -10.515 4.472 1.031 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.332 5.210 -1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.724 5.517 0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.139 3.954 -0.162 1.00 0.00 H new ATOM 509 N TRP A 34 -10.068 2.086 -0.698 1.00 0.00 N ATOM 510 CA TRP A 34 -10.209 0.661 -1.000 1.00 0.00 C ATOM 511 C TRP A 34 -11.524 0.342 -1.728 1.00 0.00 C ATOM 512 O TRP A 34 -11.578 -0.569 -2.557 1.00 0.00 O ATOM 513 CB TRP A 34 -10.078 -0.128 0.318 1.00 0.00 C ATOM 514 CG TRP A 34 -10.140 -1.617 0.197 1.00 0.00 C ATOM 515 CD1 TRP A 34 -11.259 -2.373 0.267 1.00 0.00 C ATOM 516 CD2 TRP A 34 -9.061 -2.537 -0.119 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.954 -3.675 -0.080 1.00 0.00 N ATOM 518 CE2 TRP A 34 -9.627 -3.801 -0.436 1.00 0.00 C ATOM 519 CE3 TRP A 34 -7.665 -2.414 -0.234 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -8.864 -4.844 -0.977 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -6.877 -3.473 -0.716 1.00 0.00 C ATOM 522 CH2 TRP A 34 -7.473 -4.683 -1.113 1.00 0.00 C ATOM 0 H TRP A 34 -9.945 2.260 0.300 1.00 0.00 H new ATOM 0 HA TRP A 34 -9.418 0.363 -1.689 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.131 0.140 0.787 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -10.870 0.196 0.993 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -12.238 -2.015 0.550 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.624 -4.444 -0.074 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.189 -1.488 0.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.339 -5.763 -1.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.805 -3.357 -0.782 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.869 -5.481 -1.518 1.00 0.00 H new ATOM 533 N GLN A 35 -12.610 1.066 -1.447 1.00 0.00 N ATOM 534 CA GLN A 35 -13.847 0.938 -2.213 1.00 0.00 C ATOM 535 C GLN A 35 -13.641 1.395 -3.653 1.00 0.00 C ATOM 536 O GLN A 35 -13.987 0.670 -4.587 1.00 0.00 O ATOM 537 CB GLN A 35 -14.974 1.724 -1.531 1.00 0.00 C ATOM 538 CG GLN A 35 -15.282 1.244 -0.104 1.00 0.00 C ATOM 539 CD GLN A 35 -15.885 -0.159 -0.003 1.00 0.00 C ATOM 540 OE1 GLN A 35 -15.339 -1.141 -0.511 1.00 0.00 O ATOM 541 NE2 GLN A 35 -16.955 -0.313 0.755 1.00 0.00 N ATOM 0 H GLN A 35 -12.655 1.749 -0.691 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.136 -0.113 -2.242 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.703 2.779 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.878 1.645 -2.135 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.360 1.268 0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.970 1.952 0.359 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.405 0.501 1.174 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.332 -1.246 0.922 1.00 0.00 H new ATOM 550 N ARG A 36 -13.067 2.584 -3.843 1.00 0.00 N ATOM 551 CA ARG A 36 -12.900 3.165 -5.170 1.00 0.00 C ATOM 552 C ARG A 36 -12.040 2.291 -6.074 1.00 0.00 C ATOM 553 O ARG A 36 -12.339 2.249 -7.263 1.00 0.00 O ATOM 554 CB ARG A 36 -12.355 4.592 -5.053 1.00 0.00 C ATOM 555 CG ARG A 36 -13.486 5.535 -4.613 1.00 0.00 C ATOM 556 CD ARG A 36 -12.943 6.803 -3.961 1.00 0.00 C ATOM 557 NE ARG A 36 -12.108 7.608 -4.858 1.00 0.00 N ATOM 558 CZ ARG A 36 -12.496 8.384 -5.871 1.00 0.00 C ATOM 559 NH1 ARG A 36 -13.778 8.590 -6.150 1.00 0.00 N ATOM 560 NH2 ARG A 36 -11.561 8.949 -6.621 1.00 0.00 N ATOM 0 H ARG A 36 -12.708 3.165 -3.086 1.00 0.00 H new ATOM 0 HA ARG A 36 -13.879 3.214 -5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.539 4.623 -4.331 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.947 4.917 -6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.094 5.802 -5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.140 5.017 -3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.779 7.410 -3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.360 6.529 -3.082 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.103 7.570 -4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.501 8.149 -5.582 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.040 9.190 -6.932 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.575 8.785 -6.416 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.827 9.548 -7.403 1.00 0.00 H new ATOM 574 N PHE A 37 -11.064 1.554 -5.532 1.00 0.00 N ATOM 575 CA PHE A 37 -10.246 0.594 -6.271 1.00 0.00 C ATOM 576 C PHE A 37 -11.126 -0.351 -7.089 1.00 0.00 C ATOM 577 O PHE A 37 -11.016 -0.418 -8.312 1.00 0.00 O ATOM 578 CB PHE A 37 -9.369 -0.201 -5.289 1.00 0.00 C ATOM 579 CG PHE A 37 -8.427 -1.205 -5.937 1.00 0.00 C ATOM 580 CD1 PHE A 37 -8.853 -2.523 -6.206 1.00 0.00 C ATOM 581 CD2 PHE A 37 -7.103 -0.834 -6.236 1.00 0.00 C ATOM 582 CE1 PHE A 37 -7.970 -3.445 -6.799 1.00 0.00 C ATOM 583 CE2 PHE A 37 -6.219 -1.763 -6.816 1.00 0.00 C ATOM 584 CZ PHE A 37 -6.655 -3.064 -7.115 1.00 0.00 C ATOM 0 H PHE A 37 -10.818 1.612 -4.544 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.603 1.138 -6.963 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -8.778 0.502 -4.701 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -10.018 -0.732 -4.593 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.859 -2.825 -5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.764 0.168 -6.019 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.305 -4.449 -7.012 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.201 -1.474 -7.032 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.984 -3.767 -7.585 1.00 0.00 H new ATOM 594 N CYS A 38 -11.999 -1.104 -6.413 1.00 0.00 N ATOM 595 CA CYS A 38 -12.800 -2.111 -7.087 1.00 0.00 C ATOM 596 C CYS A 38 -13.863 -1.461 -7.974 1.00 0.00 C ATOM 597 O CYS A 38 -14.146 -1.979 -9.056 1.00 0.00 O ATOM 598 CB CYS A 38 -13.383 -3.092 -6.061 1.00 0.00 C ATOM 599 SG CYS A 38 -14.707 -2.372 -5.048 1.00 0.00 S ATOM 0 H CYS A 38 -12.163 -1.031 -5.409 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.166 -2.692 -7.757 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.770 -3.966 -6.584 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -12.584 -3.440 -5.407 1.00 0.00 H new ATOM 0 HG CYS A 38 -14.463 -1.111 -4.847 1.00 0.00 H new ATOM 605 N ALA A 39 -14.413 -0.320 -7.538 1.00 0.00 N ATOM 606 CA ALA A 39 -15.436 0.394 -8.277 1.00 0.00 C ATOM 607 C ALA A 39 -14.896 0.901 -9.614 1.00 0.00 C ATOM 608 O ALA A 39 -15.660 0.978 -10.573 1.00 0.00 O ATOM 609 CB ALA A 39 -15.975 1.550 -7.438 1.00 0.00 C ATOM 0 H ALA A 39 -14.153 0.127 -6.659 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.252 -0.296 -8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.743 2.081 -8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -16.405 1.160 -6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -15.162 2.235 -7.198 1.00 0.00 H new ATOM 615 N ASP A 40 -13.585 1.158 -9.712 1.00 0.00 N ATOM 616 CA ASP A 40 -12.905 1.670 -10.904 1.00 0.00 C ATOM 617 C ASP A 40 -12.929 0.686 -12.088 1.00 0.00 C ATOM 618 O ASP A 40 -12.359 0.963 -13.142 1.00 0.00 O ATOM 619 CB ASP A 40 -11.447 2.040 -10.553 1.00 0.00 C ATOM 620 CG ASP A 40 -10.918 3.250 -11.330 1.00 0.00 C ATOM 621 OD1 ASP A 40 -11.436 4.360 -11.090 1.00 0.00 O ATOM 622 OD2 ASP A 40 -9.919 3.128 -12.084 1.00 0.00 O ATOM 0 H ASP A 40 -12.946 1.008 -8.931 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.453 2.555 -11.226 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.380 2.247 -9.485 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.805 1.182 -10.752 1.00 0.00 H new ATOM 627 N SER A 41 -13.595 -0.468 -11.937 1.00 0.00 N ATOM 628 CA SER A 41 -13.579 -1.633 -12.818 1.00 0.00 C ATOM 629 C SER A 41 -12.269 -2.423 -12.642 1.00 0.00 C ATOM 630 O SER A 41 -12.028 -3.384 -13.372 1.00 0.00 O ATOM 631 CB SER A 41 -13.882 -1.183 -14.268 1.00 0.00 C ATOM 632 OG SER A 41 -14.450 -2.161 -15.120 1.00 0.00 O ATOM 0 H SER A 41 -14.204 -0.617 -11.132 1.00 0.00 H new ATOM 0 HA SER A 41 -14.367 -2.337 -12.550 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.558 -0.329 -14.228 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.954 -0.833 -14.719 1.00 0.00 H new ATOM 0 HG SER A 41 -14.602 -1.773 -16.007 1.00 0.00 H new ATOM 638 N LYS A 42 -11.451 -2.089 -11.636 1.00 0.00 N ATOM 639 CA LYS A 42 -10.083 -2.564 -11.466 1.00 0.00 C ATOM 640 C LYS A 42 -9.920 -3.421 -10.217 1.00 0.00 C ATOM 641 O LYS A 42 -8.949 -3.256 -9.496 1.00 0.00 O ATOM 642 CB LYS A 42 -9.132 -1.359 -11.449 1.00 0.00 C ATOM 643 CG LYS A 42 -9.092 -0.545 -12.747 1.00 0.00 C ATOM 644 CD LYS A 42 -7.988 0.510 -12.627 1.00 0.00 C ATOM 645 CE LYS A 42 -7.946 1.417 -13.858 1.00 0.00 C ATOM 646 NZ LYS A 42 -6.759 2.294 -13.824 1.00 0.00 N ATOM 0 H LYS A 42 -11.741 -1.455 -10.892 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.833 -3.210 -12.308 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.422 -0.698 -10.632 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.125 -1.713 -11.229 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.900 -1.199 -13.598 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.055 -0.066 -12.924 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.155 1.113 -11.734 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.024 0.017 -12.503 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.928 0.809 -14.763 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.851 2.024 -13.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.751 2.901 -14.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.791 2.888 -12.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.897 1.712 -13.808 1.00 0.00 H new ATOM 660 N HIS A 43 -10.833 -4.353 -9.933 1.00 0.00 N ATOM 661 CA HIS A 43 -10.772 -5.207 -8.739 1.00 0.00 C ATOM 662 C HIS A 43 -9.622 -6.233 -8.681 1.00 0.00 C ATOM 663 O HIS A 43 -9.744 -7.260 -8.011 1.00 0.00 O ATOM 664 CB HIS A 43 -12.119 -5.915 -8.556 1.00 0.00 C ATOM 665 CG HIS A 43 -12.460 -6.976 -9.586 1.00 0.00 C ATOM 666 ND1 HIS A 43 -11.685 -7.436 -10.623 1.00 0.00 N flip ATOM 667 CD2 HIS A 43 -13.660 -7.643 -9.661 1.00 0.00 C flip ATOM 668 CE1 HIS A 43 -12.451 -8.340 -11.364 1.00 0.00 C flip ATOM 669 NE2 HIS A 43 -13.623 -8.453 -10.726 1.00 0.00 N flip ATOM 0 H HIS A 43 -11.641 -4.539 -10.527 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.553 -4.524 -7.918 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -12.132 -6.378 -7.569 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -12.907 -5.162 -8.565 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -14.489 -7.532 -8.978 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -12.156 -8.847 -12.271 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -14.382 -9.071 -11.012 1.00 0.00 H new ATOM 677 N LEU A 44 -8.556 -6.033 -9.442 1.00 0.00 N ATOM 678 CA LEU A 44 -7.470 -6.953 -9.657 1.00 0.00 C ATOM 679 C LEU A 44 -6.789 -7.275 -8.336 1.00 0.00 C ATOM 680 O LEU A 44 -6.225 -6.377 -7.719 1.00 0.00 O ATOM 681 CB LEU A 44 -6.532 -6.242 -10.627 1.00 0.00 C ATOM 682 CG LEU A 44 -5.641 -7.096 -11.493 1.00 0.00 C ATOM 683 CD1 LEU A 44 -5.025 -8.328 -10.824 1.00 0.00 C ATOM 684 CD2 LEU A 44 -6.437 -7.455 -12.720 1.00 0.00 C ATOM 0 H LEU A 44 -8.427 -5.162 -9.956 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.800 -7.908 -10.065 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.138 -5.617 -11.283 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.896 -5.573 -10.048 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.756 -6.508 -11.736 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.406 -8.862 -11.545 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.411 -8.015 -9.980 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.819 -8.986 -10.471 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.830 -8.076 -13.379 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.331 -8.005 -12.426 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.727 -6.545 -13.245 1.00 0.00 H new ATOM 696 N LEU A 45 -6.844 -8.527 -7.891 1.00 0.00 N ATOM 697 CA LEU A 45 -6.256 -8.985 -6.643 1.00 0.00 C ATOM 698 C LEU A 45 -5.746 -10.396 -6.899 1.00 0.00 C ATOM 699 O LEU A 45 -6.505 -11.240 -7.386 1.00 0.00 O ATOM 700 CB LEU A 45 -7.321 -8.977 -5.532 1.00 0.00 C ATOM 701 CG LEU A 45 -7.760 -7.568 -5.089 1.00 0.00 C ATOM 702 CD1 LEU A 45 -9.009 -7.640 -4.206 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.647 -6.859 -4.308 1.00 0.00 C ATOM 0 H LEU A 45 -7.314 -9.271 -8.407 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.443 -8.337 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.196 -9.526 -5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.931 -9.513 -4.667 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.981 -7.002 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.300 -6.634 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.823 -8.102 -4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.794 -8.236 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.987 -5.867 -4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.399 -7.440 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.763 -6.765 -4.939 1.00 0.00 H new ATOM 715 N GLN A 46 -4.470 -10.641 -6.607 1.00 0.00 N ATOM 716 CA GLN A 46 -3.773 -11.885 -6.916 1.00 0.00 C ATOM 717 C GLN A 46 -2.919 -12.305 -5.717 1.00 0.00 C ATOM 718 O GLN A 46 -2.570 -11.472 -4.873 1.00 0.00 O ATOM 719 CB GLN A 46 -2.985 -11.702 -8.222 1.00 0.00 C ATOM 720 CG GLN A 46 -1.761 -10.796 -8.068 1.00 0.00 C ATOM 721 CD GLN A 46 -1.438 -10.045 -9.360 1.00 0.00 C ATOM 722 OE1 GLN A 46 -0.952 -10.619 -10.333 1.00 0.00 O ATOM 723 NE2 GLN A 46 -1.726 -8.753 -9.434 1.00 0.00 N ATOM 0 H GLN A 46 -3.877 -9.959 -6.135 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.470 -12.705 -7.086 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.663 -12.678 -8.584 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.645 -11.283 -8.981 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.939 -10.079 -7.267 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.900 -11.396 -7.773 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.129 -8.273 -8.629 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.544 -8.239 -10.296 1.00 0.00 H new ATOM 732 N TYR A 47 -2.583 -13.590 -5.615 1.00 0.00 N ATOM 733 CA TYR A 47 -1.765 -14.081 -4.517 1.00 0.00 C ATOM 734 C TYR A 47 -0.395 -13.447 -4.650 1.00 0.00 C ATOM 735 O TYR A 47 0.253 -13.573 -5.695 1.00 0.00 O ATOM 736 CB TYR A 47 -1.709 -15.614 -4.468 1.00 0.00 C ATOM 737 CG TYR A 47 -3.088 -16.243 -4.514 1.00 0.00 C ATOM 738 CD1 TYR A 47 -4.102 -15.746 -3.676 1.00 0.00 C ATOM 739 CD2 TYR A 47 -3.390 -17.242 -5.459 1.00 0.00 C ATOM 740 CE1 TYR A 47 -5.429 -16.161 -3.842 1.00 0.00 C ATOM 741 CE2 TYR A 47 -4.712 -17.697 -5.603 1.00 0.00 C ATOM 742 CZ TYR A 47 -5.740 -17.124 -4.821 1.00 0.00 C ATOM 743 OH TYR A 47 -7.041 -17.452 -5.022 1.00 0.00 O ATOM 0 H TYR A 47 -2.867 -14.307 -6.282 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.210 -13.795 -3.564 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.117 -15.981 -5.307 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.199 -15.928 -3.557 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.855 -15.039 -2.898 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.606 -17.659 -6.073 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.210 -15.745 -3.223 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.941 -18.482 -6.309 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.102 -18.128 -5.729 1.00 0.00 H new ATOM 753 N GLY A 48 0.002 -12.724 -3.605 1.00 0.00 N ATOM 754 CA GLY A 48 1.259 -12.008 -3.577 1.00 0.00 C ATOM 755 C GLY A 48 1.150 -10.521 -3.941 1.00 0.00 C ATOM 756 O GLY A 48 2.201 -9.899 -4.115 1.00 0.00 O ATOM 0 H GLY A 48 -0.549 -12.623 -2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.690 -12.095 -2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.952 -12.489 -4.267 1.00 0.00 H new ATOM 760 N ASP A 49 -0.057 -9.929 -4.041 1.00 0.00 N ATOM 761 CA ASP A 49 -0.234 -8.492 -4.357 1.00 0.00 C ATOM 762 C ASP A 49 0.341 -7.507 -3.315 1.00 0.00 C ATOM 763 O ASP A 49 0.469 -6.321 -3.603 1.00 0.00 O ATOM 764 CB ASP A 49 -1.726 -8.166 -4.555 1.00 0.00 C ATOM 765 CG ASP A 49 -1.997 -7.396 -5.841 1.00 0.00 C ATOM 766 OD1 ASP A 49 -1.371 -7.708 -6.879 1.00 0.00 O ATOM 767 OD2 ASP A 49 -2.905 -6.542 -5.839 1.00 0.00 O ATOM 0 H ASP A 49 -0.936 -10.429 -3.906 1.00 0.00 H new ATOM 0 HA ASP A 49 0.341 -8.347 -5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.298 -9.094 -4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.081 -7.582 -3.706 1.00 0.00 H new ATOM 772 N LYS A 50 0.675 -8.026 -2.127 1.00 0.00 N ATOM 773 CA LYS A 50 1.182 -7.476 -0.862 1.00 0.00 C ATOM 774 C LYS A 50 0.431 -6.251 -0.356 1.00 0.00 C ATOM 775 O LYS A 50 0.068 -5.344 -1.100 1.00 0.00 O ATOM 776 CB LYS A 50 2.668 -7.124 -1.049 1.00 0.00 C ATOM 777 CG LYS A 50 3.413 -6.775 0.252 1.00 0.00 C ATOM 778 CD LYS A 50 4.911 -6.568 0.035 1.00 0.00 C ATOM 779 CE LYS A 50 5.574 -7.914 -0.266 1.00 0.00 C ATOM 780 NZ LYS A 50 7.042 -7.818 -0.288 1.00 0.00 N ATOM 0 H LYS A 50 0.574 -9.035 -2.016 1.00 0.00 H new ATOM 0 HA LYS A 50 1.033 -8.244 -0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.170 -7.966 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.744 -6.279 -1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.983 -5.869 0.680 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.262 -7.574 0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.077 -5.876 -0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.359 -6.120 0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.271 -8.643 0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.221 -8.284 -1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.448 -8.753 -0.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.335 -7.143 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.382 -7.491 0.639 1.00 0.00 H new ATOM 794 N LEU A 51 0.301 -6.156 0.959 1.00 0.00 N ATOM 795 CA LEU A 51 -0.120 -4.934 1.619 1.00 0.00 C ATOM 796 C LEU A 51 0.915 -4.605 2.677 1.00 0.00 C ATOM 797 O LEU A 51 1.610 -5.498 3.166 1.00 0.00 O ATOM 798 CB LEU A 51 -1.534 -5.109 2.208 1.00 0.00 C ATOM 799 CG LEU A 51 -2.647 -4.801 1.190 1.00 0.00 C ATOM 800 CD1 LEU A 51 -3.996 -5.314 1.691 1.00 0.00 C ATOM 801 CD2 LEU A 51 -2.764 -3.299 0.918 1.00 0.00 C ATOM 0 H LEU A 51 0.486 -6.929 1.599 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.183 -4.103 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.649 -6.132 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.646 -4.454 3.072 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.377 -5.309 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.768 -5.086 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.943 -6.393 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.241 -4.830 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.560 -3.121 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.995 -2.778 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.821 -2.927 0.518 1.00 0.00 H new ATOM 813 N VAL A 52 0.987 -3.331 3.037 1.00 0.00 N ATOM 814 CA VAL A 52 1.635 -2.841 4.238 1.00 0.00 C ATOM 815 C VAL A 52 0.604 -1.916 4.880 1.00 0.00 C ATOM 816 O VAL A 52 -0.127 -1.222 4.163 1.00 0.00 O ATOM 817 CB VAL A 52 2.972 -2.141 3.911 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.764 -1.839 5.192 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.892 -2.987 3.021 1.00 0.00 C ATOM 0 H VAL A 52 0.578 -2.584 2.476 1.00 0.00 H new ATOM 0 HA VAL A 52 1.919 -3.639 4.924 1.00 0.00 H new ATOM 0 HB VAL A 52 2.690 -1.229 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.701 -1.346 4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.177 -1.186 5.837 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.977 -2.771 5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.815 -2.440 2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.125 -3.924 3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.391 -3.199 2.077 1.00 0.00 H new ATOM 829 N ASP A 53 0.503 -1.924 6.207 1.00 0.00 N ATOM 830 CA ASP A 53 -0.326 -1.001 6.973 1.00 0.00 C ATOM 831 C ASP A 53 0.521 0.149 7.527 1.00 0.00 C ATOM 832 O ASP A 53 1.733 0.233 7.317 1.00 0.00 O ATOM 833 CB ASP A 53 -1.091 -1.752 8.079 1.00 0.00 C ATOM 834 CG ASP A 53 -0.299 -2.120 9.337 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.947 -2.087 9.309 1.00 0.00 O ATOM 836 OD2 ASP A 53 -0.945 -2.412 10.372 1.00 0.00 O ATOM 0 H ASP A 53 1.008 -2.589 6.792 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.072 -0.560 6.312 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.941 -1.140 8.380 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.494 -2.670 7.651 1.00 0.00 H new ATOM 841 N SER A 54 -0.118 1.064 8.242 1.00 0.00 N ATOM 842 CA SER A 54 0.496 2.178 8.956 1.00 0.00 C ATOM 843 C SER A 54 1.473 1.799 10.073 1.00 0.00 C ATOM 844 O SER A 54 2.071 2.697 10.672 1.00 0.00 O ATOM 845 CB SER A 54 -0.666 2.980 9.514 1.00 0.00 C ATOM 846 OG SER A 54 -0.992 3.947 8.545 1.00 0.00 O ATOM 0 H SER A 54 -1.133 1.050 8.346 1.00 0.00 H new ATOM 0 HA SER A 54 1.125 2.732 8.259 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.520 2.334 9.718 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.392 3.454 10.457 1.00 0.00 H new ATOM 0 HG SER A 54 -1.335 3.503 7.742 1.00 0.00 H new ATOM 852 N ASN A 55 1.639 0.511 10.348 1.00 0.00 N ATOM 853 CA ASN A 55 2.452 -0.062 11.415 1.00 0.00 C ATOM 854 C ASN A 55 3.532 -0.989 10.827 1.00 0.00 C ATOM 855 O ASN A 55 4.119 -1.782 11.568 1.00 0.00 O ATOM 856 CB ASN A 55 1.551 -0.816 12.404 1.00 0.00 C ATOM 857 CG ASN A 55 0.324 -0.031 12.844 1.00 0.00 C ATOM 858 OD1 ASN A 55 0.423 0.960 13.564 1.00 0.00 O ATOM 859 ND2 ASN A 55 -0.863 -0.412 12.395 1.00 0.00 N ATOM 0 H ASN A 55 1.178 -0.210 9.794 1.00 0.00 H new ATOM 0 HA ASN A 55 2.959 0.740 11.952 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.227 -1.750 11.945 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.136 -1.080 13.285 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.698 0.118 12.647 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.942 -1.235 11.798 1.00 0.00 H new ATOM 866 N PHE A 56 3.801 -0.888 9.513 1.00 0.00 N ATOM 867 CA PHE A 56 4.847 -1.606 8.770 1.00 0.00 C ATOM 868 C PHE A 56 4.612 -3.119 8.723 1.00 0.00 C ATOM 869 O PHE A 56 5.517 -3.861 8.356 1.00 0.00 O ATOM 870 CB PHE A 56 6.262 -1.256 9.292 1.00 0.00 C ATOM 871 CG PHE A 56 6.808 0.094 8.868 1.00 0.00 C ATOM 872 CD1 PHE A 56 6.220 1.289 9.326 1.00 0.00 C ATOM 873 CD2 PHE A 56 7.926 0.152 8.011 1.00 0.00 C ATOM 874 CE1 PHE A 56 6.748 2.531 8.927 1.00 0.00 C ATOM 875 CE2 PHE A 56 8.451 1.395 7.614 1.00 0.00 C ATOM 876 CZ PHE A 56 7.864 2.587 8.072 1.00 0.00 C ATOM 0 H PHE A 56 3.262 -0.267 8.909 1.00 0.00 H new ATOM 0 HA PHE A 56 4.785 -1.259 7.739 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.246 -1.294 10.381 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.954 -2.028 8.956 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.364 1.252 9.983 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.381 -0.762 7.658 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.294 3.446 9.279 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.307 1.434 6.956 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.268 3.542 7.769 1.00 0.00 H new ATOM 886 N HIS A 57 3.431 -3.624 9.066 1.00 0.00 N ATOM 887 CA HIS A 57 3.145 -5.042 8.925 1.00 0.00 C ATOM 888 C HIS A 57 3.066 -5.392 7.437 1.00 0.00 C ATOM 889 O HIS A 57 2.120 -4.961 6.780 1.00 0.00 O ATOM 890 CB HIS A 57 1.834 -5.357 9.629 1.00 0.00 C ATOM 891 CG HIS A 57 1.785 -4.977 11.081 1.00 0.00 C ATOM 892 ND1 HIS A 57 0.785 -4.254 11.683 1.00 0.00 N ATOM 893 CD2 HIS A 57 2.730 -5.262 12.025 1.00 0.00 C ATOM 894 CE1 HIS A 57 1.107 -4.125 12.979 1.00 0.00 C ATOM 895 NE2 HIS A 57 2.271 -4.749 13.243 1.00 0.00 N ATOM 0 H HIS A 57 2.660 -3.072 9.442 1.00 0.00 H new ATOM 0 HA HIS A 57 3.936 -5.638 9.380 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.026 -4.843 9.107 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.640 -6.426 9.542 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -0.049 -3.883 11.228 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.660 -5.786 11.861 1.00 0.00 H new ATOM 0 HE1 HIS A 57 0.515 -3.594 13.710 1.00 0.00 H new ATOM 903 N CYS A 58 4.030 -6.139 6.883 1.00 0.00 N ATOM 904 CA CYS A 58 3.843 -6.708 5.554 1.00 0.00 C ATOM 905 C CYS A 58 2.813 -7.823 5.640 1.00 0.00 C ATOM 906 O CYS A 58 2.804 -8.616 6.588 1.00 0.00 O ATOM 907 CB CYS A 58 5.145 -7.287 4.969 1.00 0.00 C ATOM 908 SG CYS A 58 5.873 -6.168 3.760 1.00 0.00 S ATOM 0 H CYS A 58 4.923 -6.356 7.325 1.00 0.00 H new ATOM 0 HA CYS A 58 3.512 -5.904 4.896 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.858 -7.471 5.773 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.939 -8.249 4.500 1.00 0.00 H new ATOM 0 HG CYS A 58 6.968 -6.688 3.291 1.00 0.00 H new ATOM 914 N PHE A 59 2.011 -7.914 4.586 1.00 0.00 N ATOM 915 CA PHE A 59 0.945 -8.874 4.427 1.00 0.00 C ATOM 916 C PHE A 59 0.986 -9.453 3.024 1.00 0.00 C ATOM 917 O PHE A 59 1.523 -8.863 2.085 1.00 0.00 O ATOM 918 CB PHE A 59 -0.398 -8.182 4.691 1.00 0.00 C ATOM 919 CG PHE A 59 -0.549 -7.584 6.074 1.00 0.00 C ATOM 920 CD1 PHE A 59 -0.209 -8.342 7.206 1.00 0.00 C ATOM 921 CD2 PHE A 59 -1.040 -6.278 6.233 1.00 0.00 C ATOM 922 CE1 PHE A 59 -0.346 -7.807 8.493 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.225 -5.752 7.523 1.00 0.00 C ATOM 924 CZ PHE A 59 -0.870 -6.511 8.651 1.00 0.00 C ATOM 0 H PHE A 59 2.097 -7.287 3.786 1.00 0.00 H new ATOM 0 HA PHE A 59 1.067 -9.690 5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.533 -7.391 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.199 -8.905 4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.162 -9.349 7.083 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.275 -5.679 5.366 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.052 -8.384 9.357 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.641 -4.763 7.648 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.000 -6.099 9.641 1.00 0.00 H new ATOM 934 N VAL A 60 0.369 -10.609 2.872 1.00 0.00 N ATOM 935 CA VAL A 60 0.336 -11.457 1.701 1.00 0.00 C ATOM 936 C VAL A 60 -1.084 -12.021 1.630 1.00 0.00 C ATOM 937 O VAL A 60 -1.700 -12.287 2.658 1.00 0.00 O ATOM 938 CB VAL A 60 1.414 -12.547 1.871 1.00 0.00 C ATOM 939 CG1 VAL A 60 1.255 -13.721 0.898 1.00 0.00 C ATOM 940 CG2 VAL A 60 2.856 -12.032 1.733 1.00 0.00 C ATOM 0 H VAL A 60 -0.171 -11.013 3.637 1.00 0.00 H new ATOM 0 HA VAL A 60 0.556 -10.936 0.770 1.00 0.00 H new ATOM 0 HB VAL A 60 1.248 -12.885 2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.047 -14.449 1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.285 -14.194 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.320 -13.355 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.552 -12.860 1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.994 -11.597 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.046 -11.273 2.492 1.00 0.00 H new ATOM 950 N LEU A 61 -1.600 -12.119 0.409 1.00 0.00 N ATOM 951 CA LEU A 61 -2.866 -12.720 0.009 1.00 0.00 C ATOM 952 C LEU A 61 -2.533 -14.153 -0.391 1.00 0.00 C ATOM 953 O LEU A 61 -1.596 -14.321 -1.180 1.00 0.00 O ATOM 954 CB LEU A 61 -3.457 -11.990 -1.228 1.00 0.00 C ATOM 955 CG LEU A 61 -4.875 -12.519 -1.553 1.00 0.00 C ATOM 956 CD1 LEU A 61 -5.952 -12.051 -0.570 1.00 0.00 C ATOM 957 CD2 LEU A 61 -5.304 -12.106 -2.962 1.00 0.00 C ATOM 0 H LEU A 61 -1.097 -11.746 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.594 -12.661 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.499 -10.918 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.804 -12.136 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.795 -13.603 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.917 -12.463 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.702 -12.394 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.004 -10.962 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.304 -12.490 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.311 -11.019 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.603 -12.515 -3.690 1.00 0.00 H new ATOM 969 N GLU A 62 -3.291 -15.141 0.082 1.00 0.00 N ATOM 970 CA GLU A 62 -3.082 -16.555 -0.219 1.00 0.00 C ATOM 971 C GLU A 62 -4.371 -17.240 -0.708 1.00 0.00 C ATOM 972 O GLU A 62 -5.446 -16.634 -0.727 1.00 0.00 O ATOM 973 CB GLU A 62 -2.559 -17.291 1.015 1.00 0.00 C ATOM 974 CG GLU A 62 -1.244 -16.784 1.611 1.00 0.00 C ATOM 975 CD GLU A 62 -0.658 -17.769 2.632 1.00 0.00 C ATOM 976 OE1 GLU A 62 -1.221 -18.865 2.862 1.00 0.00 O ATOM 977 OE2 GLU A 62 0.426 -17.450 3.179 1.00 0.00 O ATOM 0 H GLU A 62 -4.086 -14.976 0.700 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.346 -16.603 -1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.324 -17.243 1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.432 -18.342 0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.523 -16.620 0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.412 -15.820 2.092 1.00 0.00 H new ATOM 984 N GLU A 63 -4.247 -18.512 -1.112 1.00 0.00 N ATOM 985 CA GLU A 63 -5.246 -19.267 -1.865 1.00 0.00 C ATOM 986 C GLU A 63 -6.516 -19.589 -1.085 1.00 0.00 C ATOM 987 O GLU A 63 -7.519 -19.922 -1.719 1.00 0.00 O ATOM 988 CB GLU A 63 -4.684 -20.607 -2.354 1.00 0.00 C ATOM 989 CG GLU A 63 -3.378 -20.513 -3.145 1.00 0.00 C ATOM 990 CD GLU A 63 -3.090 -21.814 -3.890 1.00 0.00 C ATOM 991 OE1 GLU A 63 -3.119 -22.892 -3.257 1.00 0.00 O ATOM 992 OE2 GLU A 63 -2.977 -21.772 -5.137 1.00 0.00 O ATOM 0 H GLU A 63 -3.411 -19.062 -0.912 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.500 -18.603 -2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.522 -21.252 -1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.435 -21.092 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.439 -19.689 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.554 -20.289 -2.467 1.00 0.00 H new ATOM 999 N ASP A 64 -6.485 -19.519 0.246 1.00 0.00 N ATOM 1000 CA ASP A 64 -7.649 -19.693 1.129 1.00 0.00 C ATOM 1001 C ASP A 64 -8.532 -18.437 1.140 1.00 0.00 C ATOM 1002 O ASP A 64 -9.412 -18.275 1.982 1.00 0.00 O ATOM 1003 CB ASP A 64 -7.152 -20.080 2.526 1.00 0.00 C ATOM 1004 CG ASP A 64 -8.249 -20.442 3.538 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -9.205 -21.166 3.187 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -8.100 -20.057 4.729 1.00 0.00 O ATOM 0 H ASP A 64 -5.624 -19.334 0.760 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.284 -20.496 0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.475 -20.929 2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.569 -19.251 2.928 1.00 0.00 H new ATOM 1011 N ALA A 65 -8.282 -17.517 0.198 1.00 0.00 N ATOM 1012 CA ALA A 65 -8.850 -16.184 0.129 1.00 0.00 C ATOM 1013 C ALA A 65 -8.785 -15.526 1.503 1.00 0.00 C ATOM 1014 O ALA A 65 -9.766 -14.941 1.970 1.00 0.00 O ATOM 1015 CB ALA A 65 -10.266 -16.223 -0.460 1.00 0.00 C ATOM 0 H ALA A 65 -7.642 -17.704 -0.574 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.262 -15.567 -0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.671 -15.212 -0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.230 -16.641 -1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.905 -16.844 0.168 1.00 0.00 H new ATOM 1021 N HIS A 66 -7.615 -15.588 2.132 1.00 0.00 N ATOM 1022 CA HIS A 66 -7.288 -14.712 3.244 1.00 0.00 C ATOM 1023 C HIS A 66 -6.055 -13.877 2.932 1.00 0.00 C ATOM 1024 O HIS A 66 -5.269 -14.197 2.039 1.00 0.00 O ATOM 1025 CB HIS A 66 -7.221 -15.490 4.562 1.00 0.00 C ATOM 1026 CG HIS A 66 -6.183 -16.579 4.636 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -6.395 -17.863 5.085 1.00 0.00 N ATOM 1028 CD2 HIS A 66 -4.867 -16.476 4.277 1.00 0.00 C ATOM 1029 CE1 HIS A 66 -5.229 -18.520 4.997 1.00 0.00 C ATOM 1030 NE2 HIS A 66 -4.281 -17.726 4.476 1.00 0.00 N ATOM 0 H HIS A 66 -6.874 -16.244 1.885 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.094 -13.992 3.385 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.034 -14.782 5.369 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.199 -15.935 4.748 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -7.278 -18.245 5.423 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.373 -15.590 3.907 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.075 -19.544 5.303 1.00 0.00 H new ATOM 1038 N TRP A 67 -5.893 -12.797 3.688 1.00 0.00 N ATOM 1039 CA TRP A 67 -4.630 -12.132 3.887 1.00 0.00 C ATOM 1040 C TRP A 67 -4.050 -12.706 5.174 1.00 0.00 C ATOM 1041 O TRP A 67 -4.793 -13.167 6.051 1.00 0.00 O ATOM 1042 CB TRP A 67 -4.831 -10.615 3.999 1.00 0.00 C ATOM 1043 CG TRP A 67 -5.080 -9.899 2.707 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.285 -9.619 2.169 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -4.101 -9.331 1.787 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.109 -8.983 0.956 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -4.781 -8.772 0.670 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -2.702 -9.216 1.795 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -4.107 -8.151 -0.395 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -2.010 -8.580 0.753 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -2.708 -8.044 -0.344 1.00 0.00 C ATOM 0 H TRP A 67 -6.664 -12.355 4.189 1.00 0.00 H new ATOM 0 HA TRP A 67 -3.955 -12.294 3.047 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.672 -10.426 4.667 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.947 -10.183 4.469 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.239 -9.855 2.617 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.875 -8.702 0.344 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.144 -9.627 2.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -4.656 -7.762 -1.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -0.934 -8.502 0.794 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.171 -7.553 -1.142 1.00 0.00 H new ATOM 1062 N HIS A 68 -2.731 -12.662 5.297 1.00 0.00 N ATOM 1063 CA HIS A 68 -2.002 -13.235 6.413 1.00 0.00 C ATOM 1064 C HIS A 68 -0.808 -12.347 6.809 1.00 0.00 C ATOM 1065 O HIS A 68 -0.359 -11.528 5.997 1.00 0.00 O ATOM 1066 CB HIS A 68 -1.492 -14.623 5.983 1.00 0.00 C ATOM 1067 CG HIS A 68 -2.189 -15.824 6.553 1.00 0.00 C ATOM 1068 ND1 HIS A 68 -3.320 -15.861 7.339 1.00 0.00 N ATOM 1069 CD2 HIS A 68 -1.733 -17.106 6.415 1.00 0.00 C ATOM 1070 CE1 HIS A 68 -3.537 -17.141 7.671 1.00 0.00 C ATOM 1071 NE2 HIS A 68 -2.555 -17.925 7.194 1.00 0.00 N ATOM 0 H HIS A 68 -2.127 -12.216 4.607 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.662 -13.312 7.277 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.554 -14.682 4.896 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.436 -14.690 6.246 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.894 -17.426 5.815 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.383 -17.494 8.242 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.433 -18.923 7.367 1.00 0.00 H new ATOM 1079 N PRO A 69 -0.266 -12.516 8.033 1.00 0.00 N ATOM 1080 CA PRO A 69 0.957 -11.858 8.491 1.00 0.00 C ATOM 1081 C PRO A 69 2.189 -12.415 7.768 1.00 0.00 C ATOM 1082 O PRO A 69 2.347 -13.637 7.683 1.00 0.00 O ATOM 1083 CB PRO A 69 1.018 -12.113 10.001 1.00 0.00 C ATOM 1084 CG PRO A 69 0.230 -13.405 10.201 1.00 0.00 C ATOM 1085 CD PRO A 69 -0.812 -13.366 9.087 1.00 0.00 C ATOM 0 HA PRO A 69 0.949 -10.790 8.272 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.047 -12.218 10.345 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.577 -11.288 10.561 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.871 -14.282 10.119 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.237 -13.442 11.185 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.014 -14.369 8.710 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.757 -12.968 9.455 1.00 0.00 H new ATOM 1093 N ALA A 70 3.079 -11.525 7.305 1.00 0.00 N ATOM 1094 CA ALA A 70 4.279 -11.854 6.527 1.00 0.00 C ATOM 1095 C ALA A 70 5.560 -11.213 7.102 1.00 0.00 C ATOM 1096 O ALA A 70 6.577 -11.126 6.396 1.00 0.00 O ATOM 1097 CB ALA A 70 4.043 -11.483 5.058 1.00 0.00 C ATOM 0 H ALA A 70 2.978 -10.523 7.468 1.00 0.00 H new ATOM 0 HA ALA A 70 4.452 -12.928 6.594 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.931 -11.725 4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.192 -12.045 4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.838 -10.415 4.981 1.00 0.00 H new ATOM 1103 N ALA A 71 5.522 -10.844 8.392 1.00 0.00 N ATOM 1104 CA ALA A 71 6.509 -10.172 9.237 1.00 0.00 C ATOM 1105 C ALA A 71 6.630 -8.663 8.958 1.00 0.00 C ATOM 1106 O ALA A 71 6.307 -8.212 7.863 1.00 0.00 O ATOM 1107 CB ALA A 71 7.847 -10.910 9.172 1.00 0.00 C ATOM 0 H ALA A 71 4.681 -11.040 8.935 1.00 0.00 H new ATOM 0 HA ALA A 71 6.151 -10.221 10.265 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.574 -10.401 9.805 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.715 -11.934 9.522 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.206 -10.922 8.143 1.00 0.00 H new ATOM 1113 N PRO A 72 7.068 -7.846 9.937 1.00 0.00 N ATOM 1114 CA PRO A 72 7.142 -6.401 9.755 1.00 0.00 C ATOM 1115 C PRO A 72 8.267 -5.964 8.820 1.00 0.00 C ATOM 1116 O PRO A 72 9.249 -6.677 8.595 1.00 0.00 O ATOM 1117 CB PRO A 72 7.385 -5.791 11.132 1.00 0.00 C ATOM 1118 CG PRO A 72 7.973 -6.944 11.943 1.00 0.00 C ATOM 1119 CD PRO A 72 7.346 -8.190 11.323 1.00 0.00 C ATOM 0 HA PRO A 72 6.211 -6.065 9.298 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.073 -4.947 11.080 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.460 -5.421 11.575 1.00 0.00 H new ATOM 0 HG2 PRO A 72 9.060 -6.967 11.873 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.724 -6.856 13.000 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.024 -9.041 11.386 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.432 -8.470 11.847 1.00 0.00 H new ATOM 1127 N LEU A 73 8.151 -4.720 8.368 1.00 0.00 N ATOM 1128 CA LEU A 73 8.991 -4.089 7.372 1.00 0.00 C ATOM 1129 C LEU A 73 9.996 -3.149 8.074 1.00 0.00 C ATOM 1130 O LEU A 73 9.615 -2.499 9.048 1.00 0.00 O ATOM 1131 CB LEU A 73 7.989 -3.467 6.367 1.00 0.00 C ATOM 1132 CG LEU A 73 8.554 -2.938 5.041 1.00 0.00 C ATOM 1133 CD1 LEU A 73 7.526 -2.862 3.911 1.00 0.00 C ATOM 1134 CD2 LEU A 73 9.044 -1.538 5.260 1.00 0.00 C ATOM 0 H LEU A 73 7.423 -4.093 8.711 1.00 0.00 H new ATOM 0 HA LEU A 73 9.651 -4.747 6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.234 -4.218 6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.477 -2.645 6.867 1.00 0.00 H new ATOM 0 HG LEU A 73 9.335 -3.638 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.004 -2.479 3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.126 -3.857 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.714 -2.196 4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.450 -1.145 4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.216 -0.910 5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.823 -1.540 6.022 1.00 0.00 H new ATOM 1146 N PRO A 74 11.254 -3.027 7.596 1.00 0.00 N ATOM 1147 CA PRO A 74 12.301 -2.227 8.240 1.00 0.00 C ATOM 1148 C PRO A 74 12.198 -0.744 7.858 1.00 0.00 C ATOM 1149 O PRO A 74 11.563 -0.414 6.855 1.00 0.00 O ATOM 1150 CB PRO A 74 13.614 -2.824 7.722 1.00 0.00 C ATOM 1151 CG PRO A 74 13.260 -3.289 6.316 1.00 0.00 C ATOM 1152 CD PRO A 74 11.814 -3.751 6.463 1.00 0.00 C ATOM 0 HA PRO A 74 12.221 -2.260 9.327 1.00 0.00 H new ATOM 0 HB2 PRO A 74 14.415 -2.085 7.711 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.953 -3.651 8.345 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.354 -2.483 5.588 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.910 -4.098 5.982 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.248 -3.545 5.555 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.767 -4.827 6.630 1.00 0.00 H new ATOM 1160 N PRO A 75 12.895 0.173 8.548 1.00 0.00 N ATOM 1161 CA PRO A 75 12.759 1.598 8.278 1.00 0.00 C ATOM 1162 C PRO A 75 13.231 1.988 6.873 1.00 0.00 C ATOM 1163 O PRO A 75 12.801 3.024 6.372 1.00 0.00 O ATOM 1164 CB PRO A 75 13.555 2.306 9.377 1.00 0.00 C ATOM 1165 CG PRO A 75 14.572 1.257 9.817 1.00 0.00 C ATOM 1166 CD PRO A 75 13.797 -0.047 9.664 1.00 0.00 C ATOM 0 HA PRO A 75 11.710 1.895 8.293 1.00 0.00 H new ATOM 0 HB2 PRO A 75 14.044 3.205 9.002 1.00 0.00 H new ATOM 0 HB3 PRO A 75 12.913 2.613 10.203 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.465 1.273 9.193 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.898 1.416 10.845 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.468 -0.883 9.468 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.246 -0.287 10.574 1.00 0.00 H new ATOM 1174 N GLU A 76 14.076 1.163 6.241 1.00 0.00 N ATOM 1175 CA GLU A 76 14.560 1.325 4.873 1.00 0.00 C ATOM 1176 C GLU A 76 13.669 0.629 3.838 1.00 0.00 C ATOM 1177 O GLU A 76 13.750 0.973 2.658 1.00 0.00 O ATOM 1178 CB GLU A 76 16.000 0.786 4.767 1.00 0.00 C ATOM 1179 CG GLU A 76 16.114 -0.713 5.056 1.00 0.00 C ATOM 1180 CD GLU A 76 17.519 -1.239 4.782 1.00 0.00 C ATOM 1181 OE1 GLU A 76 18.421 -1.073 5.637 1.00 0.00 O ATOM 1182 OE2 GLU A 76 17.716 -1.880 3.726 1.00 0.00 O ATOM 0 H GLU A 76 14.454 0.330 6.693 1.00 0.00 H new ATOM 0 HA GLU A 76 14.535 2.391 4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.381 0.985 3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 76 16.636 1.332 5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.852 -0.903 6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.396 -1.257 4.442 1.00 0.00 H new ATOM 1189 N GLY A 77 12.844 -0.353 4.230 1.00 0.00 N ATOM 1190 CA GLY A 77 12.041 -1.116 3.283 1.00 0.00 C ATOM 1191 C GLY A 77 11.040 -0.216 2.560 1.00 0.00 C ATOM 1192 O GLY A 77 10.714 -0.431 1.395 1.00 0.00 O ATOM 0 H GLY A 77 12.720 -0.633 5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.693 -1.599 2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.509 -1.909 3.809 1.00 0.00 H new ATOM 1196 N LEU A 78 10.555 0.816 3.256 1.00 0.00 N ATOM 1197 CA LEU A 78 9.619 1.789 2.722 1.00 0.00 C ATOM 1198 C LEU A 78 10.264 2.472 1.517 1.00 0.00 C ATOM 1199 O LEU A 78 9.692 2.492 0.429 1.00 0.00 O ATOM 1200 CB LEU A 78 9.247 2.768 3.851 1.00 0.00 C ATOM 1201 CG LEU A 78 8.446 3.999 3.398 1.00 0.00 C ATOM 1202 CD1 LEU A 78 7.146 3.624 2.679 1.00 0.00 C ATOM 1203 CD2 LEU A 78 8.089 4.850 4.620 1.00 0.00 C ATOM 0 H LEU A 78 10.812 0.995 4.227 1.00 0.00 H new ATOM 0 HA LEU A 78 8.696 1.327 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.668 2.231 4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.163 3.106 4.336 1.00 0.00 H new ATOM 0 HG LEU A 78 9.075 4.549 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.620 4.531 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.378 3.031 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.514 3.042 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.521 5.724 4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.489 4.259 5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.003 5.173 5.118 1.00 0.00 H new ATOM 1215 N ASN A 79 11.484 2.969 1.710 1.00 0.00 N ATOM 1216 CA ASN A 79 12.308 3.640 0.715 1.00 0.00 C ATOM 1217 C ASN A 79 12.626 2.703 -0.462 1.00 0.00 C ATOM 1218 O ASN A 79 12.900 3.201 -1.556 1.00 0.00 O ATOM 1219 CB ASN A 79 13.633 4.146 1.337 1.00 0.00 C ATOM 1220 CG ASN A 79 13.540 4.789 2.723 1.00 0.00 C ATOM 1221 OD1 ASN A 79 12.960 4.233 3.645 1.00 0.00 O ATOM 1222 ND2 ASN A 79 14.095 5.962 2.956 1.00 0.00 N ATOM 0 H ASN A 79 11.947 2.909 2.617 1.00 0.00 H new ATOM 0 HA ASN A 79 11.738 4.494 0.348 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.323 3.305 1.398 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.074 4.872 0.654 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.033 6.380 3.884 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.586 6.451 2.208 1.00 0.00 H new ATOM 1229 N ASP A 80 12.613 1.375 -0.272 1.00 0.00 N ATOM 1230 CA ASP A 80 12.834 0.400 -1.348 1.00 0.00 C ATOM 1231 C ASP A 80 11.596 0.263 -2.224 1.00 0.00 C ATOM 1232 O ASP A 80 11.710 0.290 -3.452 1.00 0.00 O ATOM 1233 CB ASP A 80 13.238 -1.000 -0.836 1.00 0.00 C ATOM 1234 CG ASP A 80 14.739 -1.191 -0.623 1.00 0.00 C ATOM 1235 OD1 ASP A 80 15.544 -0.538 -1.319 1.00 0.00 O ATOM 1236 OD2 ASP A 80 15.144 -2.026 0.224 1.00 0.00 O ATOM 0 H ASP A 80 12.448 0.946 0.638 1.00 0.00 H new ATOM 0 HA ASP A 80 13.668 0.795 -1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.724 -1.190 0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.887 -1.748 -1.547 1.00 0.00 H new ATOM 1241 N LEU A 81 10.413 0.110 -1.619 1.00 0.00 N ATOM 1242 CA LEU A 81 9.164 0.030 -2.374 1.00 0.00 C ATOM 1243 C LEU A 81 8.959 1.320 -3.153 1.00 0.00 C ATOM 1244 O LEU A 81 8.690 1.285 -4.353 1.00 0.00 O ATOM 1245 CB LEU A 81 7.945 -0.176 -1.455 1.00 0.00 C ATOM 1246 CG LEU A 81 7.541 -1.621 -1.148 1.00 0.00 C ATOM 1247 CD1 LEU A 81 7.546 -2.554 -2.368 1.00 0.00 C ATOM 1248 CD2 LEU A 81 8.393 -2.213 -0.036 1.00 0.00 C ATOM 0 H LEU A 81 10.297 0.039 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 81 9.244 -0.827 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.145 0.328 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.090 0.325 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 81 6.504 -1.554 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.248 -3.556 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.846 -2.180 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.548 -2.588 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.079 -3.239 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.441 -2.204 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.271 -1.621 0.871 1.00 0.00 H new ATOM 1260 N ILE A 82 9.080 2.450 -2.458 1.00 0.00 N ATOM 1261 CA ILE A 82 8.899 3.778 -3.025 1.00 0.00 C ATOM 1262 C ILE A 82 9.800 3.942 -4.250 1.00 0.00 C ATOM 1263 O ILE A 82 9.307 4.407 -5.276 1.00 0.00 O ATOM 1264 CB ILE A 82 9.088 4.841 -1.919 1.00 0.00 C ATOM 1265 CG1 ILE A 82 7.909 4.784 -0.917 1.00 0.00 C ATOM 1266 CG2 ILE A 82 9.254 6.269 -2.458 1.00 0.00 C ATOM 1267 CD1 ILE A 82 6.609 5.466 -1.369 1.00 0.00 C ATOM 0 H ILE A 82 9.311 2.464 -1.465 1.00 0.00 H new ATOM 0 HA ILE A 82 7.884 3.921 -3.395 1.00 0.00 H new ATOM 0 HB ILE A 82 10.022 4.594 -1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.691 3.738 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.230 5.242 0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.382 6.960 -1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.130 6.314 -3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.368 6.548 -3.028 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.854 5.363 -0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.798 6.523 -1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.251 4.996 -2.285 1.00 0.00 H new ATOM 1279 N ARG A 83 11.063 3.486 -4.221 1.00 0.00 N ATOM 1280 CA ARG A 83 11.940 3.566 -5.372 1.00 0.00 C ATOM 1281 C ARG A 83 11.326 2.999 -6.649 1.00 0.00 C ATOM 1282 O ARG A 83 11.544 3.587 -7.700 1.00 0.00 O ATOM 1283 CB ARG A 83 13.268 2.853 -5.078 1.00 0.00 C ATOM 1284 CG ARG A 83 14.406 3.632 -5.740 1.00 0.00 C ATOM 1285 CD ARG A 83 15.460 2.713 -6.362 1.00 0.00 C ATOM 1286 NE ARG A 83 16.489 3.483 -7.075 1.00 0.00 N ATOM 1287 CZ ARG A 83 17.692 3.834 -6.608 1.00 0.00 C ATOM 1288 NH1 ARG A 83 18.191 3.305 -5.502 1.00 0.00 N ATOM 1289 NH2 ARG A 83 18.423 4.719 -7.265 1.00 0.00 N ATOM 0 H ARG A 83 11.490 3.057 -3.400 1.00 0.00 H new ATOM 0 HA ARG A 83 12.110 4.628 -5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 83 13.431 2.789 -4.002 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.240 1.832 -5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.996 4.283 -6.512 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.881 4.275 -4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.928 2.113 -5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 83 14.979 2.020 -7.052 1.00 0.00 H new ATOM 0 HE ARG A 83 16.262 3.780 -8.024 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.655 2.610 -4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.112 3.592 -5.170 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.069 5.133 -8.127 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.341 4.987 -6.909 1.00 0.00 H new ATOM 1303 N ALA A 84 10.570 1.899 -6.590 1.00 0.00 N ATOM 1304 CA ALA A 84 9.958 1.305 -7.775 1.00 0.00 C ATOM 1305 C ALA A 84 8.978 2.292 -8.407 1.00 0.00 C ATOM 1306 O ALA A 84 9.045 2.560 -9.607 1.00 0.00 O ATOM 1307 CB ALA A 84 9.290 -0.029 -7.402 1.00 0.00 C ATOM 0 H ALA A 84 10.368 1.400 -5.724 1.00 0.00 H new ATOM 0 HA ALA A 84 10.723 1.089 -8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.835 -0.469 -8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.040 -0.712 -7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.522 0.147 -6.649 1.00 0.00 H new ATOM 1313 N HIS A 85 8.089 2.860 -7.596 1.00 0.00 N ATOM 1314 CA HIS A 85 7.129 3.866 -8.023 1.00 0.00 C ATOM 1315 C HIS A 85 7.873 5.097 -8.560 1.00 0.00 C ATOM 1316 O HIS A 85 7.563 5.590 -9.643 1.00 0.00 O ATOM 1317 CB HIS A 85 6.208 4.169 -6.832 1.00 0.00 C ATOM 1318 CG HIS A 85 5.292 5.351 -7.006 1.00 0.00 C ATOM 1319 ND1 HIS A 85 3.948 5.358 -7.338 1.00 0.00 N ATOM 1320 CD2 HIS A 85 5.663 6.643 -6.761 1.00 0.00 C ATOM 1321 CE1 HIS A 85 3.532 6.634 -7.294 1.00 0.00 C ATOM 1322 NE2 HIS A 85 4.545 7.445 -6.955 1.00 0.00 N ATOM 0 H HIS A 85 8.017 2.627 -6.606 1.00 0.00 H new ATOM 0 HA HIS A 85 6.506 3.514 -8.845 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.600 3.287 -6.631 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.826 4.337 -5.950 1.00 0.00 H new ATOM 0 HD1 HIS A 85 3.379 4.545 -7.573 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.647 6.980 -6.469 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.524 6.961 -7.502 1.00 0.00 H new ATOM 1330 N CYS A 86 8.899 5.571 -7.850 1.00 0.00 N ATOM 1331 CA CYS A 86 9.655 6.737 -8.278 1.00 0.00 C ATOM 1332 C CYS A 86 10.403 6.482 -9.577 1.00 0.00 C ATOM 1333 O CYS A 86 10.549 7.415 -10.355 1.00 0.00 O ATOM 1334 CB CYS A 86 10.680 7.140 -7.221 1.00 0.00 C ATOM 1335 SG CYS A 86 9.882 7.600 -5.657 1.00 0.00 S ATOM 0 H CYS A 86 9.222 5.160 -6.974 1.00 0.00 H new ATOM 0 HA CYS A 86 8.927 7.535 -8.428 1.00 0.00 H new ATOM 0 HB2 CYS A 86 11.370 6.314 -7.049 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.272 7.978 -7.588 1.00 0.00 H new ATOM 0 HG CYS A 86 9.361 6.543 -5.108 1.00 0.00 H new ATOM 1341 N ALA A 87 10.895 5.265 -9.812 1.00 0.00 N ATOM 1342 CA ALA A 87 11.666 4.941 -10.998 1.00 0.00 C ATOM 1343 C ALA A 87 10.782 4.911 -12.235 1.00 0.00 C ATOM 1344 O ALA A 87 11.210 5.388 -13.284 1.00 0.00 O ATOM 1345 CB ALA A 87 12.369 3.591 -10.822 1.00 0.00 C ATOM 0 H ALA A 87 10.765 4.477 -9.178 1.00 0.00 H new ATOM 0 HA ALA A 87 12.417 5.719 -11.134 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.944 3.360 -11.719 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.039 3.639 -9.964 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.625 2.812 -10.658 1.00 0.00 H new ATOM 1351 N THR A 88 9.575 4.354 -12.117 1.00 0.00 N ATOM 1352 CA THR A 88 8.700 4.205 -13.270 1.00 0.00 C ATOM 1353 C THR A 88 8.159 5.571 -13.703 1.00 0.00 C ATOM 1354 O THR A 88 8.046 5.815 -14.907 1.00 0.00 O ATOM 1355 CB THR A 88 7.628 3.125 -13.018 1.00 0.00 C ATOM 1356 OG1 THR A 88 6.994 2.787 -14.232 1.00 0.00 O ATOM 1357 CG2 THR A 88 6.554 3.453 -11.978 1.00 0.00 C ATOM 0 H THR A 88 9.188 4.003 -11.241 1.00 0.00 H new ATOM 0 HA THR A 88 9.267 3.832 -14.123 1.00 0.00 H new ATOM 0 HB THR A 88 8.190 2.293 -12.593 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.315 2.100 -14.066 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.862 2.615 -11.893 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.026 3.633 -11.012 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.009 4.345 -12.287 1.00 0.00 H new ATOM 1365 N LEU A 89 7.896 6.483 -12.758 1.00 0.00 N ATOM 1366 CA LEU A 89 7.467 7.845 -13.086 1.00 0.00 C ATOM 1367 C LEU A 89 8.696 8.654 -13.507 1.00 0.00 C ATOM 1368 O LEU A 89 8.714 9.314 -14.545 1.00 0.00 O ATOM 1369 CB LEU A 89 6.781 8.499 -11.871 1.00 0.00 C ATOM 1370 CG LEU A 89 5.547 7.738 -11.337 1.00 0.00 C ATOM 1371 CD1 LEU A 89 5.103 8.353 -10.014 1.00 0.00 C ATOM 1372 CD2 LEU A 89 4.359 7.743 -12.293 1.00 0.00 C ATOM 0 H LEU A 89 7.974 6.299 -11.758 1.00 0.00 H new ATOM 0 HA LEU A 89 6.746 7.819 -13.903 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.510 8.591 -11.066 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.477 9.510 -12.143 1.00 0.00 H new ATOM 0 HG LEU A 89 5.860 6.701 -11.216 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.232 7.816 -9.637 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.914 8.282 -9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.844 9.401 -10.168 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.532 7.189 -11.848 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.048 8.771 -12.482 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.647 7.273 -13.233 1.00 0.00 H new ATOM 1384 N GLY A 90 9.760 8.545 -12.712 1.00 0.00 N ATOM 1385 CA GLY A 90 11.035 9.220 -12.855 1.00 0.00 C ATOM 1386 C GLY A 90 11.105 10.438 -11.936 1.00 0.00 C ATOM 1387 O GLY A 90 11.424 11.537 -12.399 1.00 0.00 O ATOM 0 H GLY A 90 9.745 7.936 -11.894 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.846 8.531 -12.617 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.174 9.531 -13.891 1.00 0.00 H new ATOM 1391 N HIS A 91 10.844 10.244 -10.639 1.00 0.00 N ATOM 1392 CA HIS A 91 10.814 11.275 -9.602 1.00 0.00 C ATOM 1393 C HIS A 91 11.966 11.106 -8.600 1.00 0.00 C ATOM 1394 O HIS A 91 12.819 10.225 -8.748 1.00 0.00 O ATOM 1395 CB HIS A 91 9.436 11.266 -8.923 1.00 0.00 C ATOM 1396 CG HIS A 91 8.397 12.046 -9.680 1.00 0.00 C ATOM 1397 ND1 HIS A 91 8.484 13.377 -10.037 1.00 0.00 N ATOM 1398 CD2 HIS A 91 7.162 11.590 -10.053 1.00 0.00 C ATOM 1399 CE1 HIS A 91 7.317 13.714 -10.605 1.00 0.00 C ATOM 1400 NE2 HIS A 91 6.490 12.659 -10.643 1.00 0.00 N ATOM 0 H HIS A 91 10.638 9.317 -10.268 1.00 0.00 H new ATOM 0 HA HIS A 91 10.965 12.252 -10.061 1.00 0.00 H new ATOM 0 HB2 HIS A 91 9.099 10.235 -8.814 1.00 0.00 H new ATOM 0 HB3 HIS A 91 9.530 11.679 -7.919 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.780 10.589 -9.916 1.00 0.00 H new ATOM 0 HE1 HIS A 91 7.077 14.698 -10.980 1.00 0.00 H new ATOM 0 HE2 HIS A 91 5.547 12.642 -11.031 1.00 0.00 H new ATOM 1408 N CYS A 92 12.023 11.980 -7.589 1.00 0.00 N ATOM 1409 CA CYS A 92 13.119 12.078 -6.629 1.00 0.00 C ATOM 1410 C CYS A 92 12.629 11.777 -5.208 1.00 0.00 C ATOM 1411 O CYS A 92 11.445 11.928 -4.908 1.00 0.00 O ATOM 1412 CB CYS A 92 13.727 13.489 -6.684 1.00 0.00 C ATOM 1413 SG CYS A 92 13.916 14.120 -8.378 1.00 0.00 S ATOM 0 H CYS A 92 11.282 12.659 -7.414 1.00 0.00 H new ATOM 0 HA CYS A 92 13.878 11.342 -6.892 1.00 0.00 H new ATOM 0 HB2 CYS A 92 13.095 14.172 -6.117 1.00 0.00 H new ATOM 0 HB3 CYS A 92 14.702 13.477 -6.196 1.00 0.00 H new ATOM 0 HG CYS A 92 14.432 15.313 -8.342 1.00 0.00 H new ATOM 1419 N CYS A 93 13.557 11.450 -4.304 1.00 0.00 N ATOM 1420 CA CYS A 93 13.329 11.108 -2.892 1.00 0.00 C ATOM 1421 C CYS A 93 12.910 12.303 -2.016 1.00 0.00 C ATOM 1422 O CYS A 93 13.169 12.271 -0.813 1.00 0.00 O ATOM 1423 CB CYS A 93 14.613 10.456 -2.350 1.00 0.00 C ATOM 1424 SG CYS A 93 16.003 11.630 -2.300 1.00 0.00 S ATOM 0 H CYS A 93 14.546 11.414 -4.550 1.00 0.00 H new ATOM 0 HA CYS A 93 12.485 10.420 -2.846 1.00 0.00 H new ATOM 0 HB2 CYS A 93 14.428 10.069 -1.348 1.00 0.00 H new ATOM 0 HB3 CYS A 93 14.880 9.604 -2.976 1.00 0.00 H new ATOM 0 HG CYS A 93 17.059 11.032 -1.834 1.00 0.00 H new ATOM 1430 N THR A 94 12.352 13.357 -2.612 1.00 0.00 N ATOM 1431 CA THR A 94 11.933 14.640 -2.057 1.00 0.00 C ATOM 1432 C THR A 94 12.979 15.216 -1.095 1.00 0.00 C ATOM 1433 O THR A 94 13.947 15.833 -1.555 1.00 0.00 O ATOM 1434 CB THR A 94 10.469 14.560 -1.553 1.00 0.00 C ATOM 1435 OG1 THR A 94 10.124 15.688 -0.789 1.00 0.00 O ATOM 1436 CG2 THR A 94 10.106 13.315 -0.738 1.00 0.00 C ATOM 0 H THR A 94 12.162 13.325 -3.614 1.00 0.00 H new ATOM 0 HA THR A 94 11.899 15.399 -2.839 1.00 0.00 H new ATOM 0 HB THR A 94 9.898 14.509 -2.480 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.195 15.608 -0.488 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.059 13.368 -0.440 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.266 12.424 -1.345 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.735 13.266 0.151 1.00 0.00 H new ATOM 1444 N SER A 95 12.919 14.867 0.180 1.00 0.00 N ATOM 1445 CA SER A 95 13.876 15.129 1.234 1.00 0.00 C ATOM 1446 C SER A 95 13.483 14.205 2.392 1.00 0.00 C ATOM 1447 O SER A 95 12.726 13.253 2.185 1.00 0.00 O ATOM 1448 CB SER A 95 13.909 16.630 1.583 1.00 0.00 C ATOM 1449 OG SER A 95 12.622 17.213 1.654 1.00 0.00 O ATOM 0 H SER A 95 12.119 14.342 0.533 1.00 0.00 H new ATOM 0 HA SER A 95 14.904 14.911 0.943 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.415 16.763 2.539 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.499 17.158 0.834 1.00 0.00 H new ATOM 0 HG SER A 95 12.705 18.163 1.880 1.00 0.00 H new ATOM 1455 N LYS A 96 13.988 14.455 3.604 1.00 0.00 N ATOM 1456 CA LYS A 96 13.456 13.853 4.824 1.00 0.00 C ATOM 1457 C LYS A 96 13.475 12.318 4.769 1.00 0.00 C ATOM 1458 O LYS A 96 12.509 11.658 5.151 1.00 0.00 O ATOM 1459 CB LYS A 96 12.067 14.472 5.076 1.00 0.00 C ATOM 1460 CG LYS A 96 11.589 14.339 6.529 1.00 0.00 C ATOM 1461 CD LYS A 96 10.219 14.991 6.719 1.00 0.00 C ATOM 1462 CE LYS A 96 9.099 14.082 6.202 1.00 0.00 C ATOM 1463 NZ LYS A 96 8.258 14.700 5.163 1.00 0.00 N ATOM 0 H LYS A 96 14.777 15.081 3.764 1.00 0.00 H new ATOM 0 HA LYS A 96 14.091 14.078 5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.095 15.528 4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.341 13.994 4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.535 13.285 6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.313 14.805 7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.059 15.206 7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.190 15.945 6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.541 13.170 5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.467 13.789 7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.262 14.455 5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.370 15.733 5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.548 14.349 4.228 1.00 0.00 H new ATOM 1477 N MET A 97 14.612 11.754 4.336 1.00 0.00 N ATOM 1478 CA MET A 97 14.890 10.316 4.370 1.00 0.00 C ATOM 1479 C MET A 97 13.857 9.538 3.547 1.00 0.00 C ATOM 1480 O MET A 97 13.321 8.523 4.003 1.00 0.00 O ATOM 1481 CB MET A 97 14.980 9.865 5.840 1.00 0.00 C ATOM 1482 CG MET A 97 15.661 8.510 6.057 1.00 0.00 C ATOM 1483 SD MET A 97 15.506 7.907 7.758 1.00 0.00 S ATOM 1484 CE MET A 97 13.741 7.468 7.787 1.00 0.00 C ATOM 0 H MET A 97 15.379 12.300 3.944 1.00 0.00 H new ATOM 0 HA MET A 97 15.850 10.100 3.900 1.00 0.00 H new ATOM 0 HB2 MET A 97 15.523 10.623 6.405 1.00 0.00 H new ATOM 0 HB3 MET A 97 13.973 9.820 6.254 1.00 0.00 H new ATOM 0 HG2 MET A 97 15.227 7.778 5.376 1.00 0.00 H new ATOM 0 HG3 MET A 97 16.717 8.595 5.802 1.00 0.00 H new ATOM 0 HE1 MET A 97 13.546 6.799 8.625 1.00 0.00 H new ATOM 0 HE2 MET A 97 13.143 8.372 7.898 1.00 0.00 H new ATOM 0 HE3 MET A 97 13.475 6.969 6.855 1.00 0.00 H new ATOM 1494 N HIS A 98 13.575 10.034 2.335 1.00 0.00 N ATOM 1495 CA HIS A 98 12.389 9.771 1.523 1.00 0.00 C ATOM 1496 C HIS A 98 11.148 10.275 2.254 1.00 0.00 C ATOM 1497 O HIS A 98 10.445 11.158 1.760 1.00 0.00 O ATOM 1498 CB HIS A 98 12.228 8.291 1.123 1.00 0.00 C ATOM 1499 CG HIS A 98 12.845 7.921 -0.189 1.00 0.00 C ATOM 1500 ND1 HIS A 98 14.128 7.487 -0.431 1.00 0.00 N ATOM 1501 CD2 HIS A 98 12.159 7.892 -1.365 1.00 0.00 C ATOM 1502 CE1 HIS A 98 14.216 7.205 -1.743 1.00 0.00 C ATOM 1503 NE2 HIS A 98 13.044 7.448 -2.354 1.00 0.00 N ATOM 0 H HIS A 98 14.217 10.674 1.867 1.00 0.00 H new ATOM 0 HA HIS A 98 12.517 10.314 0.587 1.00 0.00 H new ATOM 0 HB2 HIS A 98 12.668 7.669 1.903 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.165 8.053 1.088 1.00 0.00 H new ATOM 0 HD2 HIS A 98 11.123 8.162 -1.508 1.00 0.00 H new ATOM 0 HE1 HIS A 98 15.103 6.836 -2.236 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.839 7.331 -3.346 1.00 0.00 H new ATOM 1511 N LEU A 99 10.828 9.637 3.375 1.00 0.00 N ATOM 1512 CA LEU A 99 9.558 9.717 4.075 1.00 0.00 C ATOM 1513 C LEU A 99 9.823 9.618 5.567 1.00 0.00 C ATOM 1514 O LEU A 99 10.818 9.035 5.997 1.00 0.00 O ATOM 1515 CB LEU A 99 8.663 8.570 3.590 1.00 0.00 C ATOM 1516 CG LEU A 99 8.276 8.662 2.095 1.00 0.00 C ATOM 1517 CD1 LEU A 99 7.567 7.372 1.717 1.00 0.00 C ATOM 1518 CD2 LEU A 99 7.373 9.871 1.821 1.00 0.00 C ATOM 0 H LEU A 99 11.488 9.016 3.843 1.00 0.00 H new ATOM 0 HA LEU A 99 9.052 10.661 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.176 7.624 3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.753 8.554 4.190 1.00 0.00 H new ATOM 0 HG LEU A 99 9.175 8.796 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.282 7.408 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.236 6.527 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.674 7.254 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.121 9.904 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.459 9.783 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.896 10.786 2.098 1.00 0.00 H new ATOM 1530 N HIS A 100 8.914 10.180 6.363 1.00 0.00 N ATOM 1531 CA HIS A 100 9.044 10.163 7.816 1.00 0.00 C ATOM 1532 C HIS A 100 8.249 9.017 8.458 1.00 0.00 C ATOM 1533 O HIS A 100 8.613 8.525 9.528 1.00 0.00 O ATOM 1534 CB HIS A 100 8.632 11.519 8.374 1.00 0.00 C ATOM 1535 CG HIS A 100 8.808 11.621 9.858 1.00 0.00 C ATOM 1536 ND1 HIS A 100 7.801 11.570 10.788 1.00 0.00 N ATOM 1537 CD2 HIS A 100 9.998 11.751 10.520 1.00 0.00 C ATOM 1538 CE1 HIS A 100 8.373 11.667 11.996 1.00 0.00 C ATOM 1539 NE2 HIS A 100 9.711 11.797 11.888 1.00 0.00 N ATOM 0 H HIS A 100 8.077 10.654 6.023 1.00 0.00 H new ATOM 0 HA HIS A 100 10.088 9.978 8.068 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.220 12.299 7.890 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.588 11.706 8.124 1.00 0.00 H new ATOM 0 HD2 HIS A 100 10.978 11.808 10.070 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.834 11.644 12.932 1.00 0.00 H new ATOM 0 HE2 HIS A 100 10.379 11.907 12.651 1.00 0.00 H new ATOM 1547 N SER A 101 7.155 8.599 7.814 1.00 0.00 N ATOM 1548 CA SER A 101 6.240 7.555 8.283 1.00 0.00 C ATOM 1549 C SER A 101 5.242 7.238 7.156 1.00 0.00 C ATOM 1550 O SER A 101 5.288 7.866 6.094 1.00 0.00 O ATOM 1551 CB SER A 101 5.522 8.006 9.568 1.00 0.00 C ATOM 1552 OG SER A 101 4.923 6.913 10.247 1.00 0.00 O ATOM 0 H SER A 101 6.872 8.994 6.917 1.00 0.00 H new ATOM 0 HA SER A 101 6.795 6.650 8.530 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.235 8.498 10.229 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.758 8.742 9.318 1.00 0.00 H new ATOM 0 HG SER A 101 4.478 7.236 11.058 1.00 0.00 H new ATOM 1558 N VAL A 102 4.310 6.302 7.371 1.00 0.00 N ATOM 1559 CA VAL A 102 3.354 5.888 6.356 1.00 0.00 C ATOM 1560 C VAL A 102 2.408 7.038 5.991 1.00 0.00 C ATOM 1561 O VAL A 102 2.054 7.197 4.824 1.00 0.00 O ATOM 1562 CB VAL A 102 2.598 4.651 6.874 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.613 4.164 5.817 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.586 3.520 7.217 1.00 0.00 C ATOM 0 H VAL A 102 4.203 5.813 8.260 1.00 0.00 H new ATOM 0 HA VAL A 102 3.875 5.621 5.436 1.00 0.00 H new ATOM 0 HB VAL A 102 2.054 4.931 7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.082 3.289 6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.897 4.955 5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.155 3.899 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.035 2.653 7.582 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.147 3.244 6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.276 3.861 7.988 1.00 0.00 H new ATOM 1574 N MET A 103 2.010 7.857 6.967 1.00 0.00 N ATOM 1575 CA MET A 103 1.146 9.010 6.725 1.00 0.00 C ATOM 1576 C MET A 103 1.815 9.964 5.729 1.00 0.00 C ATOM 1577 O MET A 103 1.161 10.526 4.852 1.00 0.00 O ATOM 1578 CB MET A 103 0.897 9.712 8.067 1.00 0.00 C ATOM 1579 CG MET A 103 -0.329 10.635 8.061 1.00 0.00 C ATOM 1580 SD MET A 103 -1.845 9.805 8.620 1.00 0.00 S ATOM 1581 CE MET A 103 -2.688 9.523 7.050 1.00 0.00 C ATOM 0 H MET A 103 2.278 7.738 7.944 1.00 0.00 H new ATOM 0 HA MET A 103 0.196 8.691 6.297 1.00 0.00 H new ATOM 0 HB2 MET A 103 0.769 8.958 8.844 1.00 0.00 H new ATOM 0 HB3 MET A 103 1.779 10.295 8.331 1.00 0.00 H new ATOM 0 HG2 MET A 103 -0.134 11.494 8.703 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.483 11.019 7.053 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.490 8.799 7.193 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.107 10.462 6.688 1.00 0.00 H new ATOM 0 HE3 MET A 103 -1.977 9.138 6.319 1.00 0.00 H new ATOM 1591 N ASP A 104 3.134 10.121 5.853 1.00 0.00 N ATOM 1592 CA ASP A 104 3.941 10.982 5.000 1.00 0.00 C ATOM 1593 C ASP A 104 3.890 10.457 3.565 1.00 0.00 C ATOM 1594 O ASP A 104 3.670 11.224 2.628 1.00 0.00 O ATOM 1595 CB ASP A 104 5.381 10.995 5.530 1.00 0.00 C ATOM 1596 CG ASP A 104 6.117 12.267 5.139 1.00 0.00 C ATOM 1597 OD1 ASP A 104 5.875 13.314 5.785 1.00 0.00 O ATOM 1598 OD2 ASP A 104 7.021 12.216 4.284 1.00 0.00 O ATOM 0 H ASP A 104 3.680 9.640 6.568 1.00 0.00 H new ATOM 0 HA ASP A 104 3.555 12.001 5.008 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.369 10.902 6.616 1.00 0.00 H new ATOM 0 HB3 ASP A 104 5.919 10.130 5.141 1.00 0.00 H new ATOM 1603 N ALA A 105 4.028 9.132 3.416 1.00 0.00 N ATOM 1604 CA ALA A 105 4.048 8.418 2.144 1.00 0.00 C ATOM 1605 C ALA A 105 2.808 8.695 1.303 1.00 0.00 C ATOM 1606 O ALA A 105 2.916 9.029 0.128 1.00 0.00 O ATOM 1607 CB ALA A 105 4.161 6.903 2.399 1.00 0.00 C ATOM 0 H ALA A 105 4.133 8.508 4.216 1.00 0.00 H new ATOM 0 HA ALA A 105 4.914 8.776 1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.176 6.374 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.081 6.693 2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.306 6.568 2.987 1.00 0.00 H new ATOM 1613 N ILE A 106 1.625 8.523 1.886 1.00 0.00 N ATOM 1614 CA ILE A 106 0.369 8.663 1.158 1.00 0.00 C ATOM 1615 C ILE A 106 0.242 10.093 0.636 1.00 0.00 C ATOM 1616 O ILE A 106 -0.124 10.295 -0.523 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.794 8.289 2.089 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.683 6.851 2.618 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -2.170 8.514 1.448 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -0.874 5.724 1.608 1.00 0.00 C ATOM 0 H ILE A 106 1.511 8.284 2.871 1.00 0.00 H new ATOM 0 HA ILE A 106 0.346 7.992 0.299 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.710 8.970 2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.300 6.733 3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.420 6.724 3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.951 8.232 2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.281 9.566 1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.257 7.904 0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.771 4.763 2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.867 5.797 1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.121 5.806 0.824 1.00 0.00 H new ATOM 1632 N ASP A 107 0.567 11.073 1.483 1.00 0.00 N ATOM 1633 CA ASP A 107 0.500 12.485 1.131 1.00 0.00 C ATOM 1634 C ASP A 107 1.521 12.812 0.042 1.00 0.00 C ATOM 1635 O ASP A 107 1.181 13.520 -0.901 1.00 0.00 O ATOM 1636 CB ASP A 107 0.669 13.368 2.370 1.00 0.00 C ATOM 1637 CG ASP A 107 -0.655 13.961 2.839 1.00 0.00 C ATOM 1638 OD1 ASP A 107 -1.433 13.237 3.503 1.00 0.00 O ATOM 1639 OD2 ASP A 107 -0.930 15.143 2.547 1.00 0.00 O ATOM 0 H ASP A 107 0.885 10.903 2.437 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.489 12.699 0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.108 12.780 3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.368 14.174 2.147 1.00 0.00 H new ATOM 1644 N PHE A 108 2.736 12.247 0.135 1.00 0.00 N ATOM 1645 CA PHE A 108 3.790 12.392 -0.865 1.00 0.00 C ATOM 1646 C PHE A 108 3.267 11.959 -2.228 1.00 0.00 C ATOM 1647 O PHE A 108 3.338 12.738 -3.178 1.00 0.00 O ATOM 1648 CB PHE A 108 5.041 11.566 -0.492 1.00 0.00 C ATOM 1649 CG PHE A 108 6.164 11.603 -1.523 1.00 0.00 C ATOM 1650 CD1 PHE A 108 6.622 12.828 -2.044 1.00 0.00 C ATOM 1651 CD2 PHE A 108 6.715 10.401 -2.015 1.00 0.00 C ATOM 1652 CE1 PHE A 108 7.596 12.849 -3.058 1.00 0.00 C ATOM 1653 CE2 PHE A 108 7.696 10.423 -3.022 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.139 11.648 -3.544 1.00 0.00 C ATOM 0 H PHE A 108 3.012 11.666 0.927 1.00 0.00 H new ATOM 0 HA PHE A 108 4.082 13.442 -0.901 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.429 11.930 0.460 1.00 0.00 H new ATOM 0 HB3 PHE A 108 4.742 10.529 -0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.223 13.757 -1.663 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.380 9.455 -1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 108 7.928 13.793 -3.465 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.109 9.497 -3.394 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.894 11.667 -4.316 1.00 0.00 H new ATOM 1664 N LEU A 109 2.750 10.727 -2.303 1.00 0.00 N ATOM 1665 CA LEU A 109 2.271 10.126 -3.539 1.00 0.00 C ATOM 1666 C LEU A 109 1.121 10.930 -4.115 1.00 0.00 C ATOM 1667 O LEU A 109 1.112 11.208 -5.312 1.00 0.00 O ATOM 1668 CB LEU A 109 1.839 8.662 -3.335 1.00 0.00 C ATOM 1669 CG LEU A 109 2.951 7.652 -2.962 1.00 0.00 C ATOM 1670 CD1 LEU A 109 2.561 6.231 -3.380 1.00 0.00 C ATOM 1671 CD2 LEU A 109 4.326 7.980 -3.547 1.00 0.00 C ATOM 0 H LEU A 109 2.654 10.116 -1.492 1.00 0.00 H new ATOM 0 HA LEU A 109 3.102 10.135 -4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.081 8.637 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.361 8.318 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 109 3.041 7.726 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.358 5.540 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.641 5.942 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.406 6.199 -4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.044 7.222 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.264 7.996 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.651 8.956 -3.188 1.00 0.00 H new ATOM 1683 N ASN A 110 0.160 11.320 -3.279 1.00 0.00 N ATOM 1684 CA ASN A 110 -0.978 12.106 -3.730 1.00 0.00 C ATOM 1685 C ASN A 110 -0.497 13.423 -4.341 1.00 0.00 C ATOM 1686 O ASN A 110 -0.968 13.788 -5.415 1.00 0.00 O ATOM 1687 CB ASN A 110 -1.981 12.337 -2.589 1.00 0.00 C ATOM 1688 CG ASN A 110 -3.050 11.250 -2.499 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -4.169 11.425 -2.969 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -2.754 10.133 -1.854 1.00 0.00 N ATOM 0 H ASN A 110 0.151 11.101 -2.283 1.00 0.00 H new ATOM 0 HA ASN A 110 -1.504 11.548 -4.504 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.441 12.386 -1.643 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.465 13.303 -2.730 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.460 9.406 -1.743 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.819 10.000 -1.468 1.00 0.00 H new ATOM 1697 N ALA A 111 0.469 14.101 -3.712 1.00 0.00 N ATOM 1698 CA ALA A 111 0.969 15.392 -4.168 1.00 0.00 C ATOM 1699 C ALA A 111 1.765 15.346 -5.486 1.00 0.00 C ATOM 1700 O ALA A 111 2.014 16.414 -6.049 1.00 0.00 O ATOM 1701 CB ALA A 111 1.818 16.023 -3.057 1.00 0.00 C ATOM 0 H ALA A 111 0.926 13.762 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 111 0.092 16.000 -4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.195 16.989 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 111 1.206 16.161 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.657 15.367 -2.823 1.00 0.00 H new ATOM 1707 N LEU A 112 2.171 14.172 -5.986 1.00 0.00 N ATOM 1708 CA LEU A 112 2.880 14.048 -7.262 1.00 0.00 C ATOM 1709 C LEU A 112 1.937 14.431 -8.398 1.00 0.00 C ATOM 1710 O LEU A 112 2.142 15.442 -9.065 1.00 0.00 O ATOM 1711 CB LEU A 112 3.395 12.615 -7.483 1.00 0.00 C ATOM 1712 CG LEU A 112 4.475 12.169 -6.489 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.638 10.651 -6.538 1.00 0.00 C ATOM 1714 CD2 LEU A 112 5.833 12.832 -6.743 1.00 0.00 C ATOM 0 H LEU A 112 2.016 13.281 -5.515 1.00 0.00 H new ATOM 0 HA LEU A 112 3.741 14.716 -7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.553 11.926 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.795 12.538 -8.494 1.00 0.00 H new ATOM 0 HG LEU A 112 4.138 12.485 -5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.407 10.345 -5.829 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.693 10.175 -6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.931 10.349 -7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.555 12.476 -6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.180 12.578 -7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.731 13.914 -6.658 1.00 0.00 H new ATOM 1726 N GLU A 113 0.868 13.651 -8.558 1.00 0.00 N ATOM 1727 CA GLU A 113 -0.182 13.751 -9.542 1.00 0.00 C ATOM 1728 C GLU A 113 0.325 13.781 -10.985 1.00 0.00 C ATOM 1729 O GLU A 113 -0.285 14.394 -11.866 1.00 0.00 O ATOM 1730 CB GLU A 113 -1.078 14.907 -9.136 1.00 0.00 C ATOM 1731 CG GLU A 113 -2.545 14.556 -9.380 1.00 0.00 C ATOM 1732 CD GLU A 113 -3.469 15.773 -9.348 1.00 0.00 C ATOM 1733 OE1 GLU A 113 -3.342 16.608 -8.416 1.00 0.00 O ATOM 1734 OE2 GLU A 113 -4.384 15.849 -10.201 1.00 0.00 O ATOM 0 H GLU A 113 0.711 12.859 -7.935 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.782 12.841 -9.550 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.924 15.142 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -0.812 15.799 -9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.638 14.063 -10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.871 13.840 -8.625 1.00 0.00 H new ATOM 1741 N GLY A 114 1.424 13.076 -11.224 1.00 0.00 N ATOM 1742 CA GLY A 114 2.023 12.805 -12.517 1.00 0.00 C ATOM 1743 C GLY A 114 3.145 11.796 -12.330 1.00 0.00 C ATOM 1744 O GLY A 114 3.836 11.489 -13.327 1.00 0.00 O ATOM 0 H GLY A 114 1.954 12.651 -10.463 1.00 0.00 H new ATOM 0 HA2 GLY A 114 1.274 12.415 -13.206 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.411 13.725 -12.955 1.00 0.00 H new TER 1748 GLY A 114