USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=27 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 92 CYS SG : rot 180:sc= 0.00461 USER MOD Set 1.2: A 93 CYS SG : rot -83:sc= 0.00485 USER MOD Set 2.1: A 79 ASN : amide:sc= 0.86 K(o=1.5,f=-2.5) USER MOD Set 2.2: A 86 CYS SG : rot 160:sc= -0.188 USER MOD Set 2.3: A 98 HIS : no HE2:sc= 0.861 K(o=1.5,f=-8.9!) USER MOD Set 3.1: A 19 GLN : amide:sc= 0 X(o=-0.14,f=-0.074) USER MOD Set 3.2: A 43 HIS : no HD1:sc= -0.138 X(o=-0.14,f=0) USER MOD Set 4.1: A 10 GLN :FLIP amide:sc= -0.014 F(o=-2.5,f=-0.43) USER MOD Set 4.2: A 57 HIS : no HE2:sc= -0.417 K(o=-0.43,f=-1.1) USER MOD Single : A 1 MET CE :methyl -167:sc= 0 (180deg=-0.172) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0142 K(o=-0.014,f=-0.53) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 8 HIS : no HE2:sc= -1.64 K(o=-1.6,f=-5.2!) USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 0.677 (180deg=0.655) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0954 X(o=-0.095,f=-0.038) USER MOD Single : A 30 THR OG1 : rot 129:sc= 0.748 USER MOD Single : A 31 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.0019) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 38 CYS SG : rot 0:sc= 0.934 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 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -74:sc= 0.778 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -170:sc= 0 USER MOD Single : A 55 ASN : amide:sc=-0.00526 X(o=-0.0053,f=0) USER MOD Single : A 58 CYS SG : rot -170:sc= -0.562 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.574 F(o=-1.2,f=-0.57) USER MOD Single : A 68 HIS : no HE2:sc= -0.955 K(o=-0.95,f=-2.3) USER MOD Single : A 85 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-5.8!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl -171:sc= 0 (180deg=-0.0227) USER MOD Single : A 100 HIS : no HE2:sc= 0.907 K(o=0.91,f=-2.8!) USER MOD Single : A 101 SER OG : rot 2:sc= 1.08 USER MOD Single : A 103 MET CE :methyl -173:sc= -0.0252 (180deg=-0.0726) USER MOD Single : A 110 ASN : amide:sc= 0.625 K(o=0.62,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.460 -0.948 13.199 1.00 0.00 N ATOM 2 CA MET A 1 -17.823 -0.994 12.645 1.00 0.00 C ATOM 3 C MET A 1 -18.363 -2.422 12.585 1.00 0.00 C ATOM 4 O MET A 1 -19.383 -2.668 13.223 1.00 0.00 O ATOM 5 CB MET A 1 -17.947 -0.222 11.323 1.00 0.00 C ATOM 6 CG MET A 1 -19.018 0.858 11.472 1.00 0.00 C ATOM 7 SD MET A 1 -19.015 2.146 10.202 1.00 0.00 S ATOM 8 CE MET A 1 -17.514 3.041 10.703 1.00 0.00 C ATOM 0 H1 MET A 1 -16.128 0.037 13.224 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.464 -1.336 14.164 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.823 -1.513 12.601 1.00 0.00 H new ATOM 0 HA MET A 1 -18.475 -0.463 13.339 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.991 0.231 11.061 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.210 -0.903 10.513 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.996 0.376 11.473 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.896 1.333 12.445 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.471 3.999 10.185 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.534 3.212 11.779 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.635 2.450 10.446 1.00 0.00 H new ATOM 18 N GLY A 2 -17.726 -3.365 11.877 1.00 0.00 N ATOM 19 CA GLY A 2 -18.117 -4.771 11.935 1.00 0.00 C ATOM 20 C GLY A 2 -17.721 -5.546 10.681 1.00 0.00 C ATOM 21 O GLY A 2 -18.577 -5.791 9.831 1.00 0.00 O ATOM 0 H GLY A 2 -16.938 -3.174 11.258 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -17.655 -5.236 12.806 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -19.196 -4.838 12.073 1.00 0.00 H new ATOM 25 N ALA A 3 -16.463 -5.990 10.589 1.00 0.00 N ATOM 26 CA ALA A 3 -15.909 -6.752 9.461 1.00 0.00 C ATOM 27 C ALA A 3 -16.000 -5.971 8.135 1.00 0.00 C ATOM 28 O ALA A 3 -16.245 -4.759 8.146 1.00 0.00 O ATOM 29 CB ALA A 3 -16.543 -8.153 9.405 1.00 0.00 C ATOM 0 H ALA A 3 -15.776 -5.823 11.324 1.00 0.00 H new ATOM 0 HA ALA A 3 -14.841 -6.896 9.624 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -16.125 -8.708 8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -16.332 -8.685 10.333 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -17.621 -8.059 9.277 1.00 0.00 H new ATOM 35 N GLY A 4 -15.747 -6.620 6.996 1.00 0.00 N ATOM 36 CA GLY A 4 -15.844 -6.020 5.669 1.00 0.00 C ATOM 37 C GLY A 4 -14.830 -6.627 4.701 1.00 0.00 C ATOM 38 O GLY A 4 -13.888 -7.305 5.116 1.00 0.00 O ATOM 0 H GLY A 4 -15.463 -7.599 6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.851 -6.162 5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.679 -4.945 5.742 1.00 0.00 H new ATOM 42 N GLN A 5 -14.924 -6.278 3.415 1.00 0.00 N ATOM 43 CA GLN A 5 -14.101 -6.872 2.353 1.00 0.00 C ATOM 44 C GLN A 5 -12.718 -6.195 2.261 1.00 0.00 C ATOM 45 O GLN A 5 -12.003 -6.310 1.255 1.00 0.00 O ATOM 46 CB GLN A 5 -14.812 -6.716 0.997 1.00 0.00 C ATOM 47 CG GLN A 5 -16.142 -7.464 0.825 1.00 0.00 C ATOM 48 CD GLN A 5 -16.600 -7.391 -0.637 1.00 0.00 C ATOM 49 OE1 GLN A 5 -15.818 -7.587 -1.564 1.00 0.00 O ATOM 50 NE2 GLN A 5 -17.871 -7.130 -0.903 1.00 0.00 N ATOM 0 H GLN A 5 -15.577 -5.571 3.077 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.961 -7.925 2.596 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -14.994 -5.655 0.829 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -14.130 -7.050 0.215 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -16.025 -8.505 1.126 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -16.901 -7.028 1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -18.528 -6.966 -0.141 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -18.192 -7.093 -1.870 1.00 0.00 H new ATOM 59 N THR A 6 -12.329 -5.465 3.297 1.00 0.00 N ATOM 60 CA THR A 6 -11.042 -4.808 3.444 1.00 0.00 C ATOM 61 C THR A 6 -9.888 -5.829 3.502 1.00 0.00 C ATOM 62 O THR A 6 -10.128 -7.024 3.698 1.00 0.00 O ATOM 63 CB THR A 6 -11.105 -3.872 4.667 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.139 -4.217 5.583 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.438 -2.456 4.197 1.00 0.00 C ATOM 0 H THR A 6 -12.938 -5.308 4.100 1.00 0.00 H new ATOM 0 HA THR A 6 -10.827 -4.198 2.566 1.00 0.00 H new ATOM 0 HB THR A 6 -10.135 -3.954 5.158 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.130 -3.592 6.337 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.484 -1.788 5.057 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.666 -2.110 3.510 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.402 -2.459 3.688 1.00 0.00 H new ATOM 73 N PRO A 7 -8.638 -5.407 3.246 1.00 0.00 N ATOM 74 CA PRO A 7 -7.504 -6.305 3.181 1.00 0.00 C ATOM 75 C PRO A 7 -6.979 -6.559 4.601 1.00 0.00 C ATOM 76 O PRO A 7 -5.992 -5.946 5.002 1.00 0.00 O ATOM 77 CB PRO A 7 -6.494 -5.598 2.269 1.00 0.00 C ATOM 78 CG PRO A 7 -6.734 -4.118 2.547 1.00 0.00 C ATOM 79 CD PRO A 7 -8.216 -4.056 2.920 1.00 0.00 C ATOM 0 HA PRO A 7 -7.738 -7.290 2.777 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.470 -5.889 2.503 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.662 -5.841 1.220 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.101 -3.755 3.357 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.515 -3.505 1.672 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.371 -3.390 3.769 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.804 -3.659 2.092 1.00 0.00 H new ATOM 87 N HIS A 8 -7.635 -7.460 5.344 1.00 0.00 N ATOM 88 CA HIS A 8 -7.371 -7.815 6.745 1.00 0.00 C ATOM 89 C HIS A 8 -7.886 -6.715 7.699 1.00 0.00 C ATOM 90 O HIS A 8 -7.937 -5.539 7.325 1.00 0.00 O ATOM 91 CB HIS A 8 -5.871 -8.113 6.947 1.00 0.00 C ATOM 92 CG HIS A 8 -5.518 -9.065 8.055 1.00 0.00 C ATOM 93 ND1 HIS A 8 -4.571 -8.818 9.011 1.00 0.00 N ATOM 94 CD2 HIS A 8 -5.904 -10.374 8.188 1.00 0.00 C ATOM 95 CE1 HIS A 8 -4.395 -9.943 9.720 1.00 0.00 C ATOM 96 NE2 HIS A 8 -5.203 -10.914 9.272 1.00 0.00 N ATOM 0 H HIS A 8 -8.414 -7.994 4.958 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.920 -8.724 6.990 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.475 -8.514 6.014 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.358 -7.169 7.132 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -4.084 -7.934 9.159 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.620 -10.894 7.568 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.699 -10.051 10.538 1.00 0.00 H new ATOM 104 N PRO A 9 -8.312 -7.038 8.938 1.00 0.00 N ATOM 105 CA PRO A 9 -8.706 -6.035 9.925 1.00 0.00 C ATOM 106 C PRO A 9 -7.545 -5.630 10.852 1.00 0.00 C ATOM 107 O PRO A 9 -7.606 -4.558 11.452 1.00 0.00 O ATOM 108 CB PRO A 9 -9.846 -6.696 10.696 1.00 0.00 C ATOM 109 CG PRO A 9 -9.368 -8.143 10.776 1.00 0.00 C ATOM 110 CD PRO A 9 -8.683 -8.362 9.424 1.00 0.00 C ATOM 0 HA PRO A 9 -9.008 -5.100 9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.982 -6.255 11.683 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.799 -6.608 10.173 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.678 -8.293 11.606 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.198 -8.834 10.923 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.804 -8.998 9.531 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.354 -8.860 8.724 1.00 0.00 H new ATOM 118 N GLN A 10 -6.476 -6.436 10.952 1.00 0.00 N ATOM 119 CA GLN A 10 -5.232 -6.047 11.628 1.00 0.00 C ATOM 120 C GLN A 10 -4.533 -4.917 10.854 1.00 0.00 C ATOM 121 O GLN A 10 -3.669 -4.249 11.410 1.00 0.00 O ATOM 122 CB GLN A 10 -4.307 -7.274 11.784 1.00 0.00 C ATOM 123 CG GLN A 10 -3.688 -7.528 13.165 1.00 0.00 C ATOM 124 CD GLN A 10 -2.788 -6.416 13.704 1.00 0.00 C ATOM 125 OE1 GLN A 10 -1.484 -6.568 13.550 1.00 0.00 O flip ATOM 126 NE2 GLN A 10 -3.269 -5.461 14.318 1.00 0.00 N flip ATOM 0 H GLN A 10 -6.452 -7.379 10.564 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.470 -5.673 12.624 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.875 -8.161 11.503 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.494 -7.175 11.065 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.495 -7.695 13.879 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.107 -8.449 13.118 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.281 -5.376 14.417 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.655 -4.756 14.727 1.00 0.00 H new ATOM 135 N LEU A 11 -4.876 -4.715 9.575 1.00 0.00 N ATOM 136 CA LEU A 11 -4.453 -3.551 8.807 1.00 0.00 C ATOM 137 C LEU A 11 -5.109 -2.274 9.352 1.00 0.00 C ATOM 138 O LEU A 11 -6.329 -2.230 9.542 1.00 0.00 O ATOM 139 CB LEU A 11 -4.807 -3.796 7.336 1.00 0.00 C ATOM 140 CG LEU A 11 -4.434 -2.615 6.417 1.00 0.00 C ATOM 141 CD1 LEU A 11 -3.685 -3.121 5.184 1.00 0.00 C ATOM 142 CD2 LEU A 11 -5.683 -1.840 5.994 1.00 0.00 C ATOM 0 H LEU A 11 -5.459 -5.363 9.046 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.376 -3.407 8.895 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.294 -4.693 6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.877 -3.989 7.254 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.784 -1.940 6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.427 -2.278 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.774 -3.631 5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.319 -3.815 4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.395 -1.012 5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.358 -2.504 5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.187 -1.451 6.879 1.00 0.00 H new ATOM 154 N ILE A 12 -4.300 -1.232 9.558 1.00 0.00 N ATOM 155 CA ILE A 12 -4.656 0.043 10.167 1.00 0.00 C ATOM 156 C ILE A 12 -4.371 1.159 9.155 1.00 0.00 C ATOM 157 O ILE A 12 -3.230 1.595 9.014 1.00 0.00 O ATOM 158 CB ILE A 12 -3.850 0.244 11.473 1.00 0.00 C ATOM 159 CG1 ILE A 12 -3.961 -0.914 12.484 1.00 0.00 C ATOM 160 CG2 ILE A 12 -4.214 1.572 12.159 1.00 0.00 C ATOM 161 CD1 ILE A 12 -5.385 -1.299 12.906 1.00 0.00 C ATOM 0 H ILE A 12 -3.318 -1.263 9.285 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.714 0.062 10.428 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.809 0.267 11.149 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.479 -1.793 12.055 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.398 -0.646 13.378 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.630 1.682 13.073 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.994 2.401 11.486 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.276 1.576 12.405 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.343 -2.123 13.618 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.871 -0.442 13.372 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.954 -1.606 12.029 1.00 0.00 H new ATOM 173 N TRP A 13 -5.415 1.639 8.468 1.00 0.00 N ATOM 174 CA TRP A 13 -5.320 2.711 7.473 1.00 0.00 C ATOM 175 C TRP A 13 -4.561 3.933 7.995 1.00 0.00 C ATOM 176 O TRP A 13 -4.666 4.224 9.191 1.00 0.00 O ATOM 177 CB TRP A 13 -6.718 3.140 7.021 1.00 0.00 C ATOM 178 CG TRP A 13 -7.527 2.008 6.500 1.00 0.00 C ATOM 179 CD1 TRP A 13 -8.406 1.265 7.210 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.397 1.371 5.200 1.00 0.00 C ATOM 181 NE1 TRP A 13 -8.789 0.181 6.450 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.197 0.200 5.209 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.646 1.630 4.034 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.223 -0.689 4.136 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -6.659 0.730 2.952 1.00 0.00 C ATOM 186 CH2 TRP A 13 -7.426 -0.445 3.011 1.00 0.00 C ATOM 0 H TRP A 13 -6.364 1.287 8.591 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.759 2.307 6.630 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.241 3.599 7.860 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.627 3.902 6.247 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -8.751 1.485 8.209 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.431 -0.545 6.768 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.053 2.531 3.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -8.856 -1.563 4.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.075 0.945 2.069 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.401 -1.154 2.196 1.00 0.00 H new ATOM 197 N PRO A 14 -3.896 4.698 7.111 1.00 0.00 N ATOM 198 CA PRO A 14 -3.851 4.490 5.665 1.00 0.00 C ATOM 199 C PRO A 14 -3.033 3.257 5.269 1.00 0.00 C ATOM 200 O PRO A 14 -2.275 2.736 6.091 1.00 0.00 O ATOM 201 CB PRO A 14 -3.156 5.720 5.107 1.00 0.00 C ATOM 202 CG PRO A 14 -2.258 6.184 6.246 1.00 0.00 C ATOM 203 CD PRO A 14 -3.099 5.853 7.475 1.00 0.00 C ATOM 0 HA PRO A 14 -4.860 4.335 5.283 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.578 5.481 4.215 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.874 6.491 4.825 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.303 5.658 6.252 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.035 7.249 6.180 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.465 5.635 8.335 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.734 6.694 7.752 1.00 0.00 H new ATOM 211 N ALA A 15 -3.165 2.800 4.018 1.00 0.00 N ATOM 212 CA ALA A 15 -2.373 1.677 3.543 1.00 0.00 C ATOM 213 C ALA A 15 -1.898 1.885 2.107 1.00 0.00 C ATOM 214 O ALA A 15 -2.280 2.847 1.439 1.00 0.00 O ATOM 215 CB ALA A 15 -3.166 0.380 3.709 1.00 0.00 C ATOM 0 H ALA A 15 -3.807 3.190 3.329 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.470 1.604 4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.569 -0.459 3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.406 0.233 4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.088 0.441 3.132 1.00 0.00 H new ATOM 221 N LEU A 16 -1.032 0.975 1.662 1.00 0.00 N ATOM 222 CA LEU A 16 -0.293 1.007 0.411 1.00 0.00 C ATOM 223 C LEU A 16 -0.270 -0.412 -0.144 1.00 0.00 C ATOM 224 O LEU A 16 0.413 -1.283 0.406 1.00 0.00 O ATOM 225 CB LEU A 16 1.134 1.547 0.649 1.00 0.00 C ATOM 226 CG LEU A 16 1.181 3.087 0.633 1.00 0.00 C ATOM 227 CD1 LEU A 16 2.452 3.629 1.294 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.143 3.629 -0.796 1.00 0.00 C ATOM 0 H LEU A 16 -0.817 0.140 2.208 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.769 1.674 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.504 1.183 1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.802 1.156 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 16 0.304 3.417 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.443 4.718 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.492 3.298 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.327 3.257 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.178 4.718 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.001 3.250 -1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.223 3.305 -1.284 1.00 0.00 H new ATOM 240 N LEU A 17 -1.064 -0.656 -1.188 1.00 0.00 N ATOM 241 CA LEU A 17 -0.987 -1.872 -2.010 1.00 0.00 C ATOM 242 C LEU A 17 0.211 -1.716 -2.958 1.00 0.00 C ATOM 243 O LEU A 17 0.560 -0.573 -3.276 1.00 0.00 O ATOM 244 CB LEU A 17 -2.322 -2.006 -2.773 1.00 0.00 C ATOM 245 CG LEU A 17 -2.465 -3.188 -3.757 1.00 0.00 C ATOM 246 CD1 LEU A 17 -2.657 -4.516 -3.027 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.686 -2.981 -4.659 1.00 0.00 C ATOM 0 H LEU A 17 -1.790 -0.007 -1.493 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.840 -2.775 -1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.123 -2.081 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.485 -1.083 -3.330 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.545 -3.222 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.753 -5.321 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.796 -4.707 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.559 -4.469 -2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.776 -3.821 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.585 -2.917 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.567 -2.058 -5.226 1.00 0.00 H new ATOM 259 N LYS A 18 0.852 -2.806 -3.415 1.00 0.00 N ATOM 260 CA LYS A 18 1.949 -2.679 -4.385 1.00 0.00 C ATOM 261 C LYS A 18 2.006 -3.830 -5.394 1.00 0.00 C ATOM 262 O LYS A 18 2.813 -4.740 -5.211 1.00 0.00 O ATOM 263 CB LYS A 18 3.285 -2.481 -3.626 1.00 0.00 C ATOM 264 CG LYS A 18 4.254 -1.633 -4.448 1.00 0.00 C ATOM 265 CD LYS A 18 4.884 -2.349 -5.645 1.00 0.00 C ATOM 266 CE LYS A 18 5.806 -3.491 -5.225 1.00 0.00 C ATOM 267 NZ LYS A 18 5.599 -4.728 -6.007 1.00 0.00 N ATOM 0 H LYS A 18 0.635 -3.763 -3.135 1.00 0.00 H new ATOM 0 HA LYS A 18 1.759 -1.796 -4.996 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.096 -1.999 -2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.734 -3.451 -3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.725 -0.751 -4.809 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.051 -1.281 -3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.095 -2.741 -6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.449 -1.630 -6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.842 -3.170 -5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.647 -3.707 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.154 -5.501 -5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.590 -4.981 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.906 -4.574 -6.988 1.00 0.00 H new ATOM 281 N GLN A 19 1.245 -3.777 -6.495 1.00 0.00 N ATOM 282 CA GLN A 19 1.018 -4.940 -7.365 1.00 0.00 C ATOM 283 C GLN A 19 2.259 -5.776 -7.709 1.00 0.00 C ATOM 284 O GLN A 19 3.366 -5.268 -7.935 1.00 0.00 O ATOM 285 CB GLN A 19 0.309 -4.609 -8.683 1.00 0.00 C ATOM 286 CG GLN A 19 -0.961 -3.780 -8.583 1.00 0.00 C ATOM 287 CD GLN A 19 -1.753 -3.887 -9.877 1.00 0.00 C ATOM 288 OE1 GLN A 19 -1.434 -3.248 -10.871 1.00 0.00 O ATOM 289 NE2 GLN A 19 -2.742 -4.763 -9.927 1.00 0.00 N ATOM 0 H GLN A 19 0.770 -2.930 -6.808 1.00 0.00 H new ATOM 0 HA GLN A 19 0.369 -5.540 -6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.013 -4.078 -9.324 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.066 -5.546 -9.184 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.567 -4.127 -7.746 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.711 -2.738 -8.385 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.999 -5.290 -9.092 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.248 -4.912 -10.800 1.00 0.00 H new ATOM 298 N GLN A 20 2.048 -7.086 -7.813 1.00 0.00 N ATOM 299 CA GLN A 20 3.062 -8.066 -8.129 1.00 0.00 C ATOM 300 C GLN A 20 3.373 -8.021 -9.625 1.00 0.00 C ATOM 301 O GLN A 20 2.782 -8.728 -10.446 1.00 0.00 O ATOM 302 CB GLN A 20 2.600 -9.437 -7.581 1.00 0.00 C ATOM 303 CG GLN A 20 3.747 -10.331 -7.087 1.00 0.00 C ATOM 304 CD GLN A 20 4.074 -11.480 -8.038 1.00 0.00 C ATOM 305 OE1 GLN A 20 4.435 -11.285 -9.198 1.00 0.00 O ATOM 306 NE2 GLN A 20 3.961 -12.718 -7.594 1.00 0.00 N ATOM 0 H GLN A 20 1.127 -7.501 -7.672 1.00 0.00 H new ATOM 0 HA GLN A 20 4.015 -7.852 -7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.902 -9.272 -6.760 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.053 -9.964 -8.363 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.639 -9.720 -6.947 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.484 -10.740 -6.112 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.662 -12.890 -6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.172 -13.502 -8.211 1.00 0.00 H new ATOM 315 N GLY A 21 4.282 -7.115 -9.975 1.00 0.00 N ATOM 316 CA GLY A 21 4.840 -6.922 -11.300 1.00 0.00 C ATOM 317 C GLY A 21 4.958 -5.439 -11.632 1.00 0.00 C ATOM 318 O GLY A 21 5.933 -5.045 -12.271 1.00 0.00 O ATOM 0 H GLY A 21 4.669 -6.459 -9.296 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.823 -7.390 -11.356 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.209 -7.415 -12.040 1.00 0.00 H new ATOM 322 N CYS A 22 4.010 -4.618 -11.161 1.00 0.00 N ATOM 323 CA CYS A 22 3.843 -3.272 -11.726 1.00 0.00 C ATOM 324 C CYS A 22 4.799 -2.247 -11.123 1.00 0.00 C ATOM 325 O CYS A 22 5.016 -1.221 -11.745 1.00 0.00 O ATOM 326 CB CYS A 22 2.395 -2.760 -11.569 1.00 0.00 C ATOM 327 SG CYS A 22 1.673 -2.210 -13.137 1.00 0.00 S ATOM 0 H CYS A 22 3.362 -4.853 -10.409 1.00 0.00 H new ATOM 0 HA CYS A 22 4.080 -3.377 -12.785 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.777 -3.553 -11.148 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.381 -1.934 -10.858 1.00 0.00 H new ATOM 0 HG CYS A 22 0.458 -1.796 -12.933 1.00 0.00 H new ATOM 333 N ASN A 23 5.368 -2.475 -9.934 1.00 0.00 N ATOM 334 CA ASN A 23 6.293 -1.583 -9.212 1.00 0.00 C ATOM 335 C ASN A 23 5.590 -0.343 -8.644 1.00 0.00 C ATOM 336 O ASN A 23 6.067 0.234 -7.672 1.00 0.00 O ATOM 337 CB ASN A 23 7.514 -1.179 -10.074 1.00 0.00 C ATOM 338 CG ASN A 23 8.083 -2.369 -10.826 1.00 0.00 C ATOM 339 OD1 ASN A 23 8.675 -3.258 -10.218 1.00 0.00 O ATOM 340 ND2 ASN A 23 7.814 -2.474 -12.116 1.00 0.00 N ATOM 0 H ASN A 23 5.187 -3.335 -9.417 1.00 0.00 H new ATOM 0 HA ASN A 23 6.664 -2.163 -8.367 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.220 -0.406 -10.784 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.285 -0.748 -9.435 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.099 -3.307 -12.630 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.321 -1.722 -12.597 1.00 0.00 H new ATOM 347 N GLU A 24 4.435 0.043 -9.171 1.00 0.00 N ATOM 348 CA GLU A 24 3.586 1.116 -8.670 1.00 0.00 C ATOM 349 C GLU A 24 3.018 0.785 -7.289 1.00 0.00 C ATOM 350 O GLU A 24 2.760 -0.381 -6.980 1.00 0.00 O ATOM 351 CB GLU A 24 2.422 1.233 -9.657 1.00 0.00 C ATOM 352 CG GLU A 24 1.728 2.594 -9.689 1.00 0.00 C ATOM 353 CD GLU A 24 0.383 2.387 -10.395 1.00 0.00 C ATOM 354 OE1 GLU A 24 -0.497 1.706 -9.817 1.00 0.00 O ATOM 355 OE2 GLU A 24 0.277 2.746 -11.589 1.00 0.00 O ATOM 0 H GLU A 24 4.046 -0.406 -10.000 1.00 0.00 H new ATOM 0 HA GLU A 24 4.163 2.036 -8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.791 1.008 -10.658 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.682 0.472 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.580 2.977 -8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.336 3.326 -10.221 1.00 0.00 H new ATOM 362 N LEU A 25 2.767 1.814 -6.483 1.00 0.00 N ATOM 363 CA LEU A 25 2.079 1.753 -5.202 1.00 0.00 C ATOM 364 C LEU A 25 0.695 2.356 -5.355 1.00 0.00 C ATOM 365 O LEU A 25 0.502 3.247 -6.173 1.00 0.00 O ATOM 366 CB LEU A 25 2.856 2.590 -4.182 1.00 0.00 C ATOM 367 CG LEU A 25 4.064 1.820 -3.639 1.00 0.00 C ATOM 368 CD1 LEU A 25 5.246 2.745 -3.497 1.00 0.00 C ATOM 369 CD2 LEU A 25 3.776 1.114 -2.310 1.00 0.00 C ATOM 0 H LEU A 25 3.055 2.763 -6.722 1.00 0.00 H new ATOM 0 HA LEU A 25 2.007 0.717 -4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.191 3.517 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.198 2.867 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 25 4.294 1.038 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.099 2.188 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.498 3.165 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.996 3.551 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.670 0.586 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.490 1.852 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.963 0.401 -2.446 1.00 0.00 H new ATOM 381 N LEU A 26 -0.227 1.911 -4.507 1.00 0.00 N ATOM 382 CA LEU A 26 -1.619 2.357 -4.472 1.00 0.00 C ATOM 383 C LEU A 26 -1.919 3.000 -3.109 1.00 0.00 C ATOM 384 O LEU A 26 -2.228 2.260 -2.169 1.00 0.00 O ATOM 385 CB LEU A 26 -2.587 1.219 -4.865 1.00 0.00 C ATOM 386 CG LEU A 26 -3.527 1.563 -6.035 1.00 0.00 C ATOM 387 CD1 LEU A 26 -4.457 2.724 -5.678 1.00 0.00 C ATOM 388 CD2 LEU A 26 -2.774 1.843 -7.345 1.00 0.00 C ATOM 0 H LEU A 26 -0.020 1.205 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.780 3.128 -5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.004 0.337 -5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.189 0.954 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.136 0.676 -6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.108 2.942 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.064 2.452 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.863 3.606 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.490 2.079 -8.133 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.099 2.687 -7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.199 0.962 -7.630 1.00 0.00 H new ATOM 400 N PRO A 27 -1.667 4.311 -2.915 1.00 0.00 N ATOM 401 CA PRO A 27 -1.959 5.014 -1.662 1.00 0.00 C ATOM 402 C PRO A 27 -3.466 5.050 -1.412 1.00 0.00 C ATOM 403 O PRO A 27 -4.220 5.453 -2.293 1.00 0.00 O ATOM 404 CB PRO A 27 -1.407 6.434 -1.853 1.00 0.00 C ATOM 405 CG PRO A 27 -1.480 6.651 -3.362 1.00 0.00 C ATOM 406 CD PRO A 27 -1.204 5.259 -3.927 1.00 0.00 C ATOM 0 HA PRO A 27 -1.508 4.519 -0.802 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.002 7.171 -1.313 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.384 6.519 -1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.457 7.024 -3.669 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.741 7.377 -3.701 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.730 5.110 -4.870 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.142 5.124 -4.130 1.00 0.00 H new ATOM 414 N LEU A 28 -3.925 4.632 -0.229 1.00 0.00 N ATOM 415 CA LEU A 28 -5.349 4.579 0.102 1.00 0.00 C ATOM 416 C LEU A 28 -5.532 5.178 1.493 1.00 0.00 C ATOM 417 O LEU A 28 -5.011 4.652 2.482 1.00 0.00 O ATOM 418 CB LEU A 28 -5.879 3.139 0.028 1.00 0.00 C ATOM 419 CG LEU A 28 -5.669 2.439 -1.337 1.00 0.00 C ATOM 420 CD1 LEU A 28 -5.227 0.988 -1.115 1.00 0.00 C ATOM 421 CD2 LEU A 28 -6.929 2.535 -2.196 1.00 0.00 C ATOM 0 H LEU A 28 -3.316 4.320 0.528 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.926 5.156 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.392 2.547 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.945 3.147 0.256 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.876 2.948 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.081 0.501 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.291 0.974 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.994 0.456 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.758 2.036 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.759 2.054 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.170 3.583 -2.373 1.00 0.00 H new ATOM 433 N ARG A 29 -6.221 6.319 1.557 1.00 0.00 N ATOM 434 CA ARG A 29 -6.308 7.155 2.760 1.00 0.00 C ATOM 435 C ARG A 29 -7.028 6.447 3.913 1.00 0.00 C ATOM 436 O ARG A 29 -6.547 6.486 5.047 1.00 0.00 O ATOM 437 CB ARG A 29 -6.997 8.501 2.439 1.00 0.00 C ATOM 438 CG ARG A 29 -6.199 9.440 1.504 1.00 0.00 C ATOM 439 CD ARG A 29 -5.969 10.818 2.153 1.00 0.00 C ATOM 440 NE ARG A 29 -5.011 11.677 1.429 1.00 0.00 N ATOM 441 CZ ARG A 29 -5.248 12.494 0.392 1.00 0.00 C ATOM 442 NH1 ARG A 29 -6.406 12.485 -0.255 1.00 0.00 N ATOM 443 NH2 ARG A 29 -4.313 13.358 0.017 1.00 0.00 N ATOM 0 H ARG A 29 -6.742 6.695 0.765 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.286 7.347 3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.965 8.296 1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.191 9.025 3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.238 8.985 1.263 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.738 9.564 0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.924 11.338 2.223 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.610 10.672 3.172 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.047 11.645 1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.146 11.845 0.033 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.556 13.118 -1.040 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.424 13.396 0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.483 13.984 -0.770 1.00 0.00 H new ATOM 457 N THR A 30 -8.177 5.819 3.653 1.00 0.00 N ATOM 458 CA THR A 30 -8.997 5.128 4.647 1.00 0.00 C ATOM 459 C THR A 30 -9.580 3.845 4.037 1.00 0.00 C ATOM 460 O THR A 30 -9.393 3.565 2.850 1.00 0.00 O ATOM 461 CB THR A 30 -10.099 6.058 5.211 1.00 0.00 C ATOM 462 OG1 THR A 30 -11.066 6.383 4.226 1.00 0.00 O ATOM 463 CG2 THR A 30 -9.563 7.362 5.808 1.00 0.00 C ATOM 0 H THR A 30 -8.574 5.777 2.714 1.00 0.00 H new ATOM 0 HA THR A 30 -8.368 4.846 5.492 1.00 0.00 H new ATOM 0 HB THR A 30 -10.556 5.481 6.015 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.963 6.205 4.577 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.394 7.960 6.182 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.882 7.134 6.628 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.030 7.922 5.039 1.00 0.00 H new ATOM 471 N ASN A 31 -10.361 3.093 4.822 1.00 0.00 N ATOM 472 CA ASN A 31 -11.193 1.993 4.327 1.00 0.00 C ATOM 473 C ASN A 31 -12.099 2.468 3.190 1.00 0.00 C ATOM 474 O ASN A 31 -12.302 1.730 2.231 1.00 0.00 O ATOM 475 CB ASN A 31 -12.000 1.394 5.498 1.00 0.00 C ATOM 476 CG ASN A 31 -13.386 0.832 5.168 1.00 0.00 C ATOM 477 OD1 ASN A 31 -14.345 1.124 5.874 1.00 0.00 O ATOM 478 ND2 ASN A 31 -13.539 -0.011 4.164 1.00 0.00 N ATOM 0 H ASN A 31 -10.433 3.234 5.830 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.556 1.210 3.916 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.408 0.596 5.945 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.119 2.166 6.258 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.455 -0.419 3.976 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.742 -0.254 3.576 1.00 0.00 H new ATOM 485 N ASP A 32 -12.604 3.698 3.258 1.00 0.00 N ATOM 486 CA ASP A 32 -13.486 4.260 2.236 1.00 0.00 C ATOM 487 C ASP A 32 -12.746 4.434 0.919 1.00 0.00 C ATOM 488 O ASP A 32 -13.354 4.340 -0.142 1.00 0.00 O ATOM 489 CB ASP A 32 -14.029 5.628 2.662 1.00 0.00 C ATOM 490 CG ASP A 32 -14.582 5.568 4.070 1.00 0.00 C ATOM 491 OD1 ASP A 32 -15.742 5.135 4.242 1.00 0.00 O ATOM 492 OD2 ASP A 32 -13.806 5.856 5.011 1.00 0.00 O ATOM 0 H ASP A 32 -12.412 4.338 4.029 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.312 3.560 2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.235 6.373 2.609 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.811 5.946 1.972 1.00 0.00 H new ATOM 497 N ASP A 33 -11.438 4.678 0.971 1.00 0.00 N ATOM 498 CA ASP A 33 -10.585 4.761 -0.208 1.00 0.00 C ATOM 499 C ASP A 33 -10.410 3.378 -0.819 1.00 0.00 C ATOM 500 O ASP A 33 -10.500 3.230 -2.035 1.00 0.00 O ATOM 501 CB ASP A 33 -9.223 5.366 0.150 1.00 0.00 C ATOM 502 CG ASP A 33 -9.005 6.720 -0.502 1.00 0.00 C ATOM 503 OD1 ASP A 33 -9.974 7.510 -0.601 1.00 0.00 O ATOM 504 OD2 ASP A 33 -7.851 6.980 -0.890 1.00 0.00 O ATOM 0 H ASP A 33 -10.936 4.825 1.847 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.063 5.413 -0.940 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.147 5.470 1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.432 4.684 -0.161 1.00 0.00 H new ATOM 509 N TRP A 34 -10.227 2.350 0.017 1.00 0.00 N ATOM 510 CA TRP A 34 -10.190 0.972 -0.455 1.00 0.00 C ATOM 511 C TRP A 34 -11.525 0.596 -1.129 1.00 0.00 C ATOM 512 O TRP A 34 -11.531 -0.001 -2.204 1.00 0.00 O ATOM 513 CB TRP A 34 -9.813 0.018 0.679 1.00 0.00 C ATOM 514 CG TRP A 34 -9.866 -1.428 0.308 1.00 0.00 C ATOM 515 CD1 TRP A 34 -10.866 -2.290 0.590 1.00 0.00 C ATOM 516 CD2 TRP A 34 -8.933 -2.162 -0.530 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.612 -3.505 -0.016 1.00 0.00 N ATOM 518 CE2 TRP A 34 -9.470 -3.452 -0.788 1.00 0.00 C ATOM 519 CE3 TRP A 34 -7.717 -1.839 -1.154 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -8.850 -4.350 -1.670 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -7.039 -2.762 -1.967 1.00 0.00 C ATOM 522 CH2 TRP A 34 -7.609 -4.020 -2.240 1.00 0.00 C ATOM 0 H TRP A 34 -10.103 2.452 1.024 1.00 0.00 H new ATOM 0 HA TRP A 34 -9.412 0.878 -1.213 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.806 0.257 1.020 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -10.483 0.190 1.521 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -11.731 -2.064 1.196 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.194 -4.335 0.093 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.293 -0.857 -1.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.324 -5.290 -1.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.076 -2.506 -2.384 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -7.098 -4.724 -2.880 1.00 0.00 H new ATOM 533 N GLN A 35 -12.667 0.985 -0.545 1.00 0.00 N ATOM 534 CA GLN A 35 -13.992 0.784 -1.146 1.00 0.00 C ATOM 535 C GLN A 35 -14.090 1.485 -2.506 1.00 0.00 C ATOM 536 O GLN A 35 -14.707 0.966 -3.433 1.00 0.00 O ATOM 537 CB GLN A 35 -15.092 1.343 -0.226 1.00 0.00 C ATOM 538 CG GLN A 35 -15.252 0.620 1.117 1.00 0.00 C ATOM 539 CD GLN A 35 -16.185 -0.587 1.040 1.00 0.00 C ATOM 540 OE1 GLN A 35 -15.854 -1.596 0.419 1.00 0.00 O ATOM 541 NE2 GLN A 35 -17.350 -0.529 1.660 1.00 0.00 N ATOM 0 H GLN A 35 -12.697 1.450 0.362 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.130 -0.289 -1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.880 2.394 -0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -16.043 1.302 -0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.272 0.293 1.466 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.636 1.322 1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.614 0.313 2.172 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.986 -1.326 1.627 1.00 0.00 H new ATOM 550 N ARG A 36 -13.497 2.675 -2.627 1.00 0.00 N ATOM 551 CA ARG A 36 -13.423 3.467 -3.851 1.00 0.00 C ATOM 552 C ARG A 36 -12.630 2.776 -4.956 1.00 0.00 C ATOM 553 O ARG A 36 -12.762 3.166 -6.112 1.00 0.00 O ATOM 554 CB ARG A 36 -12.764 4.813 -3.503 1.00 0.00 C ATOM 555 CG ARG A 36 -13.602 6.019 -3.912 1.00 0.00 C ATOM 556 CD ARG A 36 -13.275 7.188 -2.984 1.00 0.00 C ATOM 557 NE ARG A 36 -13.754 8.443 -3.561 1.00 0.00 N ATOM 558 CZ ARG A 36 -15.013 8.891 -3.548 1.00 0.00 C ATOM 559 NH1 ARG A 36 -15.942 8.380 -2.743 1.00 0.00 N ATOM 560 NH2 ARG A 36 -15.346 9.871 -4.369 1.00 0.00 N ATOM 0 H ARG A 36 -13.036 3.130 -1.839 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.434 3.603 -4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.582 4.853 -2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.792 4.871 -3.994 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.393 6.290 -4.947 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.663 5.777 -3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.737 7.028 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.199 7.242 -2.821 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.060 9.034 -4.018 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.703 7.619 -2.107 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.893 8.749 -2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.648 10.270 -4.996 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.301 10.228 -4.376 1.00 0.00 H new ATOM 574 N PHE A 37 -11.809 1.782 -4.630 1.00 0.00 N ATOM 575 CA PHE A 37 -11.040 1.059 -5.621 1.00 0.00 C ATOM 576 C PHE A 37 -11.980 0.147 -6.399 1.00 0.00 C ATOM 577 O PHE A 37 -12.258 0.379 -7.565 1.00 0.00 O ATOM 578 CB PHE A 37 -9.922 0.282 -4.904 1.00 0.00 C ATOM 579 CG PHE A 37 -8.814 -0.211 -5.804 1.00 0.00 C ATOM 580 CD1 PHE A 37 -7.863 0.702 -6.295 1.00 0.00 C ATOM 581 CD2 PHE A 37 -8.713 -1.577 -6.128 1.00 0.00 C ATOM 582 CE1 PHE A 37 -6.837 0.257 -7.140 1.00 0.00 C ATOM 583 CE2 PHE A 37 -7.670 -2.025 -6.956 1.00 0.00 C ATOM 584 CZ PHE A 37 -6.735 -1.104 -7.462 1.00 0.00 C ATOM 0 H PHE A 37 -11.663 1.461 -3.673 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.569 1.734 -6.336 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -9.489 0.923 -4.136 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -10.364 -0.574 -4.393 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.923 1.745 -6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.436 -2.280 -5.741 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.125 0.962 -7.543 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.586 -3.073 -7.203 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.935 -1.447 -8.101 1.00 0.00 H new ATOM 594 N CYS A 38 -12.549 -0.865 -5.742 1.00 0.00 N ATOM 595 CA CYS A 38 -13.439 -1.826 -6.382 1.00 0.00 C ATOM 596 C CYS A 38 -14.691 -1.175 -6.974 1.00 0.00 C ATOM 597 O CYS A 38 -15.258 -1.713 -7.929 1.00 0.00 O ATOM 598 CB CYS A 38 -13.828 -2.880 -5.340 1.00 0.00 C ATOM 599 SG CYS A 38 -14.477 -2.152 -3.807 1.00 0.00 S ATOM 0 H CYS A 38 -12.403 -1.039 -4.748 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.911 -2.280 -7.220 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -14.579 -3.546 -5.766 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -12.956 -3.491 -5.106 1.00 0.00 H new ATOM 0 HG CYS A 38 -14.486 -0.856 -3.912 1.00 0.00 H new ATOM 605 N ALA A 39 -15.129 -0.055 -6.400 1.00 0.00 N ATOM 606 CA ALA A 39 -16.269 0.709 -6.875 1.00 0.00 C ATOM 607 C ALA A 39 -15.923 1.572 -8.092 1.00 0.00 C ATOM 608 O ALA A 39 -16.853 2.124 -8.687 1.00 0.00 O ATOM 609 CB ALA A 39 -16.793 1.601 -5.746 1.00 0.00 C ATOM 0 H ALA A 39 -14.688 0.350 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.036 -0.002 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -17.649 2.174 -6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -17.098 0.980 -4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.006 2.284 -5.427 1.00 0.00 H new ATOM 615 N ASP A 40 -14.644 1.738 -8.448 1.00 0.00 N ATOM 616 CA ASP A 40 -14.211 2.626 -9.512 1.00 0.00 C ATOM 617 C ASP A 40 -13.032 2.005 -10.266 1.00 0.00 C ATOM 618 O ASP A 40 -11.863 2.267 -9.978 1.00 0.00 O ATOM 619 CB ASP A 40 -13.890 4.016 -8.958 1.00 0.00 C ATOM 620 CG ASP A 40 -14.220 5.079 -10.000 1.00 0.00 C ATOM 621 OD1 ASP A 40 -13.662 5.034 -11.119 1.00 0.00 O ATOM 622 OD2 ASP A 40 -15.098 5.928 -9.728 1.00 0.00 O ATOM 0 H ASP A 40 -13.875 1.247 -7.992 1.00 0.00 H new ATOM 0 HA ASP A 40 -15.022 2.756 -10.229 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.463 4.196 -8.048 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.836 4.075 -8.687 1.00 0.00 H new ATOM 627 N SER A 41 -13.381 1.148 -11.228 1.00 0.00 N ATOM 628 CA SER A 41 -12.520 0.265 -12.001 1.00 0.00 C ATOM 629 C SER A 41 -12.093 -0.928 -11.137 1.00 0.00 C ATOM 630 O SER A 41 -11.314 -0.811 -10.194 1.00 0.00 O ATOM 631 CB SER A 41 -11.340 1.034 -12.616 1.00 0.00 C ATOM 632 OG SER A 41 -10.974 0.460 -13.860 1.00 0.00 O ATOM 0 H SER A 41 -14.357 1.050 -11.506 1.00 0.00 H new ATOM 0 HA SER A 41 -13.075 -0.137 -12.849 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.612 2.080 -12.756 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.490 1.015 -11.934 1.00 0.00 H new ATOM 0 HG SER A 41 -10.223 0.960 -14.242 1.00 0.00 H new ATOM 638 N LYS A 42 -12.601 -2.123 -11.461 1.00 0.00 N ATOM 639 CA LYS A 42 -12.211 -3.383 -10.832 1.00 0.00 C ATOM 640 C LYS A 42 -10.842 -3.795 -11.380 1.00 0.00 C ATOM 641 O LYS A 42 -10.713 -4.802 -12.084 1.00 0.00 O ATOM 642 CB LYS A 42 -13.243 -4.498 -11.075 1.00 0.00 C ATOM 643 CG LYS A 42 -14.713 -4.206 -10.745 1.00 0.00 C ATOM 644 CD LYS A 42 -15.550 -5.302 -11.423 1.00 0.00 C ATOM 645 CE LYS A 42 -17.042 -5.204 -11.104 1.00 0.00 C ATOM 646 NZ LYS A 42 -17.855 -5.791 -12.186 1.00 0.00 N ATOM 0 H LYS A 42 -13.310 -2.240 -12.185 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.161 -3.233 -9.753 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.187 -4.781 -12.126 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.937 -5.368 -10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.874 -4.208 -9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.002 -3.220 -11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.411 -5.241 -12.502 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.181 -6.278 -11.109 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.251 -5.719 -10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.319 -4.159 -10.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.863 -5.712 -11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.670 -5.282 -13.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.605 -6.794 -12.303 1.00 0.00 H new ATOM 660 N HIS A 43 -9.831 -2.991 -11.067 1.00 0.00 N ATOM 661 CA HIS A 43 -8.441 -3.251 -11.397 1.00 0.00 C ATOM 662 C HIS A 43 -8.112 -4.689 -10.988 1.00 0.00 C ATOM 663 O HIS A 43 -8.487 -5.122 -9.893 1.00 0.00 O ATOM 664 CB HIS A 43 -7.532 -2.230 -10.695 1.00 0.00 C ATOM 665 CG HIS A 43 -6.198 -1.983 -11.368 1.00 0.00 C ATOM 666 ND1 HIS A 43 -5.622 -0.745 -11.558 1.00 0.00 N ATOM 667 CD2 HIS A 43 -5.327 -2.915 -11.873 1.00 0.00 C ATOM 668 CE1 HIS A 43 -4.436 -0.931 -12.163 1.00 0.00 C ATOM 669 NE2 HIS A 43 -4.225 -2.239 -12.390 1.00 0.00 N ATOM 0 H HIS A 43 -9.964 -2.115 -10.562 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.271 -3.143 -12.468 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.065 -1.282 -10.623 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.349 -2.571 -9.676 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.471 -3.985 -11.870 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.749 -0.141 -12.429 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -3.416 -2.655 -12.851 1.00 0.00 H new ATOM 677 N LEU A 44 -7.430 -5.425 -11.872 1.00 0.00 N ATOM 678 CA LEU A 44 -6.953 -6.780 -11.596 1.00 0.00 C ATOM 679 C LEU A 44 -6.211 -6.818 -10.263 1.00 0.00 C ATOM 680 O LEU A 44 -5.501 -5.868 -9.927 1.00 0.00 O ATOM 681 CB LEU A 44 -5.997 -7.313 -12.660 1.00 0.00 C ATOM 682 CG LEU A 44 -6.466 -7.094 -14.107 1.00 0.00 C ATOM 683 CD1 LEU A 44 -5.628 -5.974 -14.711 1.00 0.00 C ATOM 684 CD2 LEU A 44 -6.314 -8.380 -14.907 1.00 0.00 C ATOM 0 H LEU A 44 -7.193 -5.092 -12.806 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.845 -7.406 -11.582 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.026 -6.835 -12.530 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.851 -8.381 -12.497 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.520 -6.816 -14.129 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.942 -5.799 -15.740 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.766 -5.062 -14.130 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.576 -6.258 -14.696 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.649 -8.213 -15.931 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.267 -8.683 -14.913 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.917 -9.165 -14.451 1.00 0.00 H new ATOM 696 N LEU A 45 -6.286 -7.944 -9.559 1.00 0.00 N ATOM 697 CA LEU A 45 -5.601 -8.154 -8.291 1.00 0.00 C ATOM 698 C LEU A 45 -4.923 -9.519 -8.363 1.00 0.00 C ATOM 699 O LEU A 45 -5.565 -10.517 -8.702 1.00 0.00 O ATOM 700 CB LEU A 45 -6.619 -8.087 -7.137 1.00 0.00 C ATOM 701 CG LEU A 45 -7.120 -6.659 -6.834 1.00 0.00 C ATOM 702 CD1 LEU A 45 -8.493 -6.701 -6.152 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.148 -5.876 -5.946 1.00 0.00 C ATOM 0 H LEU A 45 -6.835 -8.749 -9.861 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.852 -7.383 -8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.473 -8.718 -7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.163 -8.501 -6.238 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.194 -6.147 -7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.829 -5.684 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.210 -7.194 -6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.417 -7.254 -5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.546 -4.878 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.022 -6.397 -4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.183 -5.795 -6.446 1.00 0.00 H new ATOM 715 N GLN A 46 -3.623 -9.559 -8.095 1.00 0.00 N ATOM 716 CA GLN A 46 -2.770 -10.743 -8.110 1.00 0.00 C ATOM 717 C GLN A 46 -2.405 -11.082 -6.665 1.00 0.00 C ATOM 718 O GLN A 46 -2.336 -10.194 -5.809 1.00 0.00 O ATOM 719 CB GLN A 46 -1.521 -10.465 -8.978 1.00 0.00 C ATOM 720 CG GLN A 46 -1.909 -10.209 -10.444 1.00 0.00 C ATOM 721 CD GLN A 46 -0.930 -9.346 -11.211 1.00 0.00 C ATOM 722 OE1 GLN A 46 -0.029 -9.814 -11.907 1.00 0.00 O ATOM 723 NE2 GLN A 46 -1.155 -8.051 -11.205 1.00 0.00 N ATOM 0 H GLN A 46 -3.105 -8.716 -7.847 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.284 -11.598 -8.548 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.986 -9.601 -8.584 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.840 -11.314 -8.922 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.006 -11.168 -10.954 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -2.890 -9.734 -10.469 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.902 -7.666 -10.627 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.582 -7.431 -11.778 1.00 0.00 H new ATOM 732 N TYR A 47 -2.206 -12.367 -6.373 1.00 0.00 N ATOM 733 CA TYR A 47 -1.790 -12.795 -5.042 1.00 0.00 C ATOM 734 C TYR A 47 -0.337 -12.388 -4.832 1.00 0.00 C ATOM 735 O TYR A 47 0.447 -12.275 -5.778 1.00 0.00 O ATOM 736 CB TYR A 47 -1.972 -14.315 -4.892 1.00 0.00 C ATOM 737 CG TYR A 47 -3.396 -14.782 -5.094 1.00 0.00 C ATOM 738 CD1 TYR A 47 -4.389 -14.343 -4.205 1.00 0.00 C ATOM 739 CD2 TYR A 47 -3.734 -15.637 -6.164 1.00 0.00 C ATOM 740 CE1 TYR A 47 -5.729 -14.691 -4.422 1.00 0.00 C ATOM 741 CE2 TYR A 47 -5.076 -16.009 -6.371 1.00 0.00 C ATOM 742 CZ TYR A 47 -6.078 -15.522 -5.502 1.00 0.00 C ATOM 743 OH TYR A 47 -7.369 -15.909 -5.638 1.00 0.00 O ATOM 0 H TYR A 47 -2.327 -13.128 -7.041 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.407 -12.315 -4.282 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.328 -14.821 -5.611 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.638 -14.615 -3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.120 -13.736 -3.353 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.963 -16.006 -6.824 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.496 -14.320 -3.758 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.338 -16.663 -7.190 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.579 -16.590 -4.966 1.00 0.00 H new ATOM 753 N GLY A 48 0.043 -12.191 -3.574 1.00 0.00 N ATOM 754 CA GLY A 48 1.354 -11.673 -3.236 1.00 0.00 C ATOM 755 C GLY A 48 1.557 -10.200 -3.601 1.00 0.00 C ATOM 756 O GLY A 48 2.692 -9.718 -3.573 1.00 0.00 O ATOM 0 H GLY A 48 -0.549 -12.386 -2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.517 -11.797 -2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.111 -12.270 -3.745 1.00 0.00 H new ATOM 760 N ASP A 49 0.489 -9.441 -3.853 1.00 0.00 N ATOM 761 CA ASP A 49 0.578 -8.000 -4.111 1.00 0.00 C ATOM 762 C ASP A 49 1.198 -7.213 -2.949 1.00 0.00 C ATOM 763 O ASP A 49 1.809 -6.178 -3.183 1.00 0.00 O ATOM 764 CB ASP A 49 -0.817 -7.438 -4.416 1.00 0.00 C ATOM 765 CG ASP A 49 -1.095 -7.248 -5.906 1.00 0.00 C ATOM 766 OD1 ASP A 49 -0.421 -7.874 -6.758 1.00 0.00 O ATOM 767 OD2 ASP A 49 -1.924 -6.384 -6.270 1.00 0.00 O ATOM 0 H ASP A 49 -0.463 -9.807 -3.884 1.00 0.00 H new ATOM 0 HA ASP A 49 1.239 -7.879 -4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.568 -8.109 -3.999 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.930 -6.479 -3.910 1.00 0.00 H new ATOM 772 N LYS A 50 1.112 -7.721 -1.716 1.00 0.00 N ATOM 773 CA LYS A 50 1.542 -7.103 -0.459 1.00 0.00 C ATOM 774 C LYS A 50 0.641 -5.917 -0.093 1.00 0.00 C ATOM 775 O LYS A 50 0.217 -5.145 -0.952 1.00 0.00 O ATOM 776 CB LYS A 50 3.026 -6.680 -0.497 1.00 0.00 C ATOM 777 CG LYS A 50 3.636 -6.632 0.914 1.00 0.00 C ATOM 778 CD LYS A 50 5.099 -6.181 0.951 1.00 0.00 C ATOM 779 CE LYS A 50 6.032 -7.149 0.207 1.00 0.00 C ATOM 780 NZ LYS A 50 7.315 -7.350 0.917 1.00 0.00 N ATOM 0 H LYS A 50 0.709 -8.645 -1.559 1.00 0.00 H new ATOM 0 HA LYS A 50 1.445 -7.859 0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.589 -7.380 -1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.114 -5.700 -0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.044 -5.956 1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.561 -7.622 1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.181 -5.189 0.507 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.423 -6.094 1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.532 -8.110 0.085 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.229 -6.763 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.911 -8.010 0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.806 -6.438 1.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.131 -7.743 1.862 1.00 0.00 H new ATOM 794 N LEU A 51 0.367 -5.767 1.199 1.00 0.00 N ATOM 795 CA LEU A 51 -0.200 -4.565 1.793 1.00 0.00 C ATOM 796 C LEU A 51 0.779 -4.147 2.876 1.00 0.00 C ATOM 797 O LEU A 51 1.376 -5.008 3.532 1.00 0.00 O ATOM 798 CB LEU A 51 -1.595 -4.820 2.415 1.00 0.00 C ATOM 799 CG LEU A 51 -2.784 -4.063 1.796 1.00 0.00 C ATOM 800 CD1 LEU A 51 -2.501 -2.582 1.554 1.00 0.00 C ATOM 801 CD2 LEU A 51 -3.255 -4.709 0.500 1.00 0.00 C ATOM 0 H LEU A 51 0.540 -6.504 1.882 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.343 -3.796 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.804 -5.888 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.546 -4.566 3.474 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.578 -4.129 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.381 -2.110 1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.262 -2.098 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.657 -2.480 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.095 -4.144 0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.439 -4.712 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.569 -5.734 0.697 1.00 0.00 H new ATOM 813 N VAL A 52 0.899 -2.843 3.087 1.00 0.00 N ATOM 814 CA VAL A 52 1.617 -2.235 4.194 1.00 0.00 C ATOM 815 C VAL A 52 0.719 -1.122 4.729 1.00 0.00 C ATOM 816 O VAL A 52 0.030 -0.453 3.953 1.00 0.00 O ATOM 817 CB VAL A 52 2.990 -1.729 3.702 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.725 -0.929 4.782 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.907 -2.891 3.299 1.00 0.00 C ATOM 0 H VAL A 52 0.480 -2.153 2.464 1.00 0.00 H new ATOM 0 HA VAL A 52 1.830 -2.938 4.999 1.00 0.00 H new ATOM 0 HB VAL A 52 2.777 -1.093 2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.686 -0.592 4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.125 -0.065 5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.888 -1.561 5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.865 -2.497 2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.068 -3.542 4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.441 -3.460 2.494 1.00 0.00 H new ATOM 829 N ASP A 53 0.724 -0.926 6.046 1.00 0.00 N ATOM 830 CA ASP A 53 -0.084 0.049 6.772 1.00 0.00 C ATOM 831 C ASP A 53 0.787 0.970 7.645 1.00 0.00 C ATOM 832 O ASP A 53 2.018 0.854 7.648 1.00 0.00 O ATOM 833 CB ASP A 53 -1.160 -0.708 7.567 1.00 0.00 C ATOM 834 CG ASP A 53 -0.704 -1.343 8.888 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.503 -1.309 9.208 1.00 0.00 O ATOM 836 OD2 ASP A 53 -1.582 -1.883 9.594 1.00 0.00 O ATOM 0 H ASP A 53 1.323 -1.471 6.666 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.584 0.719 6.072 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.976 -0.018 7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.566 -1.494 6.931 1.00 0.00 H new ATOM 841 N SER A 54 0.166 1.901 8.379 1.00 0.00 N ATOM 842 CA SER A 54 0.871 2.834 9.271 1.00 0.00 C ATOM 843 C SER A 54 1.565 2.157 10.457 1.00 0.00 C ATOM 844 O SER A 54 2.477 2.749 11.041 1.00 0.00 O ATOM 845 CB SER A 54 -0.101 3.903 9.795 1.00 0.00 C ATOM 846 OG SER A 54 0.047 5.080 9.012 1.00 0.00 O ATOM 0 H SER A 54 -0.846 2.030 8.372 1.00 0.00 H new ATOM 0 HA SER A 54 1.656 3.287 8.665 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.127 3.540 9.740 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.105 4.119 10.843 1.00 0.00 H new ATOM 0 HG SER A 54 -0.448 5.815 9.430 1.00 0.00 H new ATOM 852 N ASN A 55 1.178 0.935 10.816 1.00 0.00 N ATOM 853 CA ASN A 55 1.837 0.160 11.862 1.00 0.00 C ATOM 854 C ASN A 55 3.033 -0.615 11.302 1.00 0.00 C ATOM 855 O ASN A 55 3.695 -1.321 12.067 1.00 0.00 O ATOM 856 CB ASN A 55 0.840 -0.813 12.503 1.00 0.00 C ATOM 857 CG ASN A 55 0.062 -0.229 13.644 1.00 0.00 C ATOM 858 OD1 ASN A 55 0.317 -0.508 14.809 1.00 0.00 O ATOM 859 ND2 ASN A 55 -0.942 0.558 13.371 1.00 0.00 N ATOM 0 H ASN A 55 0.391 0.451 10.384 1.00 0.00 H new ATOM 0 HA ASN A 55 2.202 0.854 12.619 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.142 -1.157 11.740 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.381 -1.690 12.858 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.512 0.939 14.127 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.157 0.793 12.402 1.00 0.00 H new ATOM 866 N PHE A 56 3.328 -0.502 9.998 1.00 0.00 N ATOM 867 CA PHE A 56 4.266 -1.338 9.250 1.00 0.00 C ATOM 868 C PHE A 56 3.894 -2.821 9.408 1.00 0.00 C ATOM 869 O PHE A 56 4.775 -3.690 9.439 1.00 0.00 O ATOM 870 CB PHE A 56 5.741 -1.065 9.613 1.00 0.00 C ATOM 871 CG PHE A 56 6.333 0.266 9.193 1.00 0.00 C ATOM 872 CD1 PHE A 56 5.731 1.489 9.545 1.00 0.00 C ATOM 873 CD2 PHE A 56 7.512 0.276 8.420 1.00 0.00 C ATOM 874 CE1 PHE A 56 6.275 2.698 9.088 1.00 0.00 C ATOM 875 CE2 PHE A 56 8.060 1.489 7.975 1.00 0.00 C ATOM 876 CZ PHE A 56 7.439 2.705 8.303 1.00 0.00 C ATOM 0 H PHE A 56 2.895 0.212 9.412 1.00 0.00 H new ATOM 0 HA PHE A 56 4.176 -1.070 8.197 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.842 -1.151 10.695 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.347 -1.856 9.172 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.849 1.496 10.168 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.997 -0.656 8.169 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.795 3.631 9.342 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.961 1.487 7.379 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.854 3.639 7.954 1.00 0.00 H new ATOM 886 N HIS A 57 2.616 -3.157 9.558 1.00 0.00 N ATOM 887 CA HIS A 57 2.178 -4.532 9.417 1.00 0.00 C ATOM 888 C HIS A 57 2.271 -4.884 7.936 1.00 0.00 C ATOM 889 O HIS A 57 1.577 -4.280 7.116 1.00 0.00 O ATOM 890 CB HIS A 57 0.745 -4.692 9.910 1.00 0.00 C ATOM 891 CG HIS A 57 0.491 -4.324 11.342 1.00 0.00 C ATOM 892 ND1 HIS A 57 -0.691 -3.797 11.810 1.00 0.00 N ATOM 893 CD2 HIS A 57 1.346 -4.477 12.400 1.00 0.00 C ATOM 894 CE1 HIS A 57 -0.574 -3.670 13.138 1.00 0.00 C ATOM 895 NE2 HIS A 57 0.641 -4.084 13.544 1.00 0.00 N ATOM 0 H HIS A 57 1.872 -2.495 9.776 1.00 0.00 H new ATOM 0 HA HIS A 57 2.804 -5.196 10.013 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.096 -4.084 9.280 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.447 -5.730 9.765 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.506 -3.549 11.249 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.365 -4.832 12.360 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.345 -3.289 13.791 1.00 0.00 H new ATOM 903 N CYS A 58 3.147 -5.827 7.577 1.00 0.00 N ATOM 904 CA CYS A 58 3.095 -6.404 6.247 1.00 0.00 C ATOM 905 C CYS A 58 1.941 -7.399 6.212 1.00 0.00 C ATOM 906 O CYS A 58 1.682 -8.118 7.183 1.00 0.00 O ATOM 907 CB CYS A 58 4.413 -7.110 5.894 1.00 0.00 C ATOM 908 SG CYS A 58 5.459 -6.006 4.921 1.00 0.00 S ATOM 0 H CYS A 58 3.883 -6.195 8.180 1.00 0.00 H new ATOM 0 HA CYS A 58 2.944 -5.613 5.512 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.932 -7.408 6.805 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.209 -8.021 5.332 1.00 0.00 H new ATOM 0 HG CYS A 58 6.472 -6.671 4.450 1.00 0.00 H new ATOM 914 N PHE A 59 1.319 -7.512 5.044 1.00 0.00 N ATOM 915 CA PHE A 59 0.347 -8.538 4.714 1.00 0.00 C ATOM 916 C PHE A 59 0.664 -9.060 3.316 1.00 0.00 C ATOM 917 O PHE A 59 1.309 -8.373 2.526 1.00 0.00 O ATOM 918 CB PHE A 59 -1.072 -7.958 4.791 1.00 0.00 C ATOM 919 CG PHE A 59 -1.415 -7.327 6.128 1.00 0.00 C ATOM 920 CD1 PHE A 59 -1.736 -8.140 7.228 1.00 0.00 C ATOM 921 CD2 PHE A 59 -1.321 -5.935 6.303 1.00 0.00 C ATOM 922 CE1 PHE A 59 -1.893 -7.574 8.506 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.579 -5.361 7.558 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.862 -6.180 8.663 1.00 0.00 C ATOM 0 H PHE A 59 1.487 -6.865 4.274 1.00 0.00 H new ATOM 0 HA PHE A 59 0.399 -9.363 5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.189 -7.209 4.008 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.789 -8.752 4.582 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.863 -9.204 7.092 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.049 -5.305 5.469 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.037 -8.212 9.366 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.560 -4.287 7.674 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.055 -5.739 9.630 1.00 0.00 H new ATOM 934 N VAL A 60 0.176 -10.253 2.998 1.00 0.00 N ATOM 935 CA VAL A 60 0.312 -10.999 1.753 1.00 0.00 C ATOM 936 C VAL A 60 -1.064 -11.600 1.459 1.00 0.00 C ATOM 937 O VAL A 60 -1.712 -12.129 2.359 1.00 0.00 O ATOM 938 CB VAL A 60 1.379 -12.096 1.938 1.00 0.00 C ATOM 939 CG1 VAL A 60 1.339 -13.166 0.836 1.00 0.00 C ATOM 940 CG2 VAL A 60 2.803 -11.539 1.963 1.00 0.00 C ATOM 0 H VAL A 60 -0.381 -10.774 3.675 1.00 0.00 H new ATOM 0 HA VAL A 60 0.631 -10.369 0.922 1.00 0.00 H new ATOM 0 HB VAL A 60 1.129 -12.541 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.114 -13.910 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.363 -13.651 0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.512 -12.697 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.511 -12.357 2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.010 -11.028 1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.904 -10.834 2.789 1.00 0.00 H new ATOM 950 N LEU A 61 -1.503 -11.499 0.207 1.00 0.00 N ATOM 951 CA LEU A 61 -2.742 -12.096 -0.298 1.00 0.00 C ATOM 952 C LEU A 61 -2.460 -13.576 -0.528 1.00 0.00 C ATOM 953 O LEU A 61 -1.388 -13.897 -1.052 1.00 0.00 O ATOM 954 CB LEU A 61 -3.082 -11.417 -1.641 1.00 0.00 C ATOM 955 CG LEU A 61 -4.512 -11.436 -2.242 1.00 0.00 C ATOM 956 CD1 LEU A 61 -4.590 -11.061 -3.721 1.00 0.00 C ATOM 957 CD2 LEU A 61 -5.620 -12.362 -1.769 1.00 0.00 C ATOM 0 H LEU A 61 -0.992 -10.983 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.573 -11.969 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.798 -10.369 -1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.423 -11.857 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.844 -10.612 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.628 -11.102 -4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.204 -10.051 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.994 -11.762 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.522 -12.177 -2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.309 -13.398 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.824 -12.176 -0.715 1.00 0.00 H new ATOM 969 N GLU A 62 -3.404 -14.453 -0.199 1.00 0.00 N ATOM 970 CA GLU A 62 -3.296 -15.886 -0.468 1.00 0.00 C ATOM 971 C GLU A 62 -4.337 -16.297 -1.490 1.00 0.00 C ATOM 972 O GLU A 62 -5.349 -15.618 -1.622 1.00 0.00 O ATOM 973 CB GLU A 62 -3.404 -16.764 0.777 1.00 0.00 C ATOM 974 CG GLU A 62 -2.655 -16.118 1.931 1.00 0.00 C ATOM 975 CD GLU A 62 -1.928 -17.084 2.853 1.00 0.00 C ATOM 976 OE1 GLU A 62 -0.736 -17.357 2.583 1.00 0.00 O ATOM 977 OE2 GLU A 62 -2.529 -17.521 3.860 1.00 0.00 O ATOM 0 H GLU A 62 -4.273 -14.188 0.265 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.292 -16.048 -0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.451 -16.904 1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.993 -17.752 0.573 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.929 -15.414 1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.363 -15.539 2.524 1.00 0.00 H new ATOM 984 N GLU A 63 -4.148 -17.446 -2.132 1.00 0.00 N ATOM 985 CA GLU A 63 -5.048 -17.952 -3.180 1.00 0.00 C ATOM 986 C GLU A 63 -6.518 -18.007 -2.720 1.00 0.00 C ATOM 987 O GLU A 63 -7.446 -17.828 -3.514 1.00 0.00 O ATOM 988 CB GLU A 63 -4.536 -19.295 -3.742 1.00 0.00 C ATOM 989 CG GLU A 63 -4.044 -19.092 -5.184 1.00 0.00 C ATOM 990 CD GLU A 63 -3.385 -20.324 -5.799 1.00 0.00 C ATOM 991 OE1 GLU A 63 -2.143 -20.488 -5.674 1.00 0.00 O ATOM 992 OE2 GLU A 63 -4.050 -21.044 -6.572 1.00 0.00 O ATOM 0 H GLU A 63 -3.359 -18.064 -1.942 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.035 -17.237 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.726 -19.677 -3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.333 -20.038 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.889 -18.797 -5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.332 -18.267 -5.200 1.00 0.00 H new ATOM 999 N ASP A 64 -6.698 -18.125 -1.404 1.00 0.00 N ATOM 1000 CA ASP A 64 -7.929 -18.052 -0.629 1.00 0.00 C ATOM 1001 C ASP A 64 -8.697 -16.734 -0.798 1.00 0.00 C ATOM 1002 O ASP A 64 -9.857 -16.676 -0.396 1.00 0.00 O ATOM 1003 CB ASP A 64 -7.578 -18.282 0.857 1.00 0.00 C ATOM 1004 CG ASP A 64 -8.441 -19.334 1.559 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -8.593 -20.461 1.029 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -8.830 -19.118 2.727 1.00 0.00 O ATOM 0 H ASP A 64 -5.898 -18.292 -0.794 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.599 -18.825 -1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.533 -18.582 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.675 -17.336 1.390 1.00 0.00 H new ATOM 1011 N ALA A 65 -8.118 -15.681 -1.402 1.00 0.00 N ATOM 1012 CA ALA A 65 -8.709 -14.359 -1.516 1.00 0.00 C ATOM 1013 C ALA A 65 -8.901 -13.726 -0.133 1.00 0.00 C ATOM 1014 O ALA A 65 -9.870 -12.993 0.109 1.00 0.00 O ATOM 1015 CB ALA A 65 -9.948 -14.368 -2.422 1.00 0.00 C ATOM 0 H ALA A 65 -7.196 -15.741 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.015 -13.695 -2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.362 -13.361 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.667 -14.705 -3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.696 -15.044 -2.008 1.00 0.00 H new ATOM 1021 N HIS A 66 -7.943 -13.984 0.760 1.00 0.00 N ATOM 1022 CA HIS A 66 -7.738 -13.252 2.003 1.00 0.00 C ATOM 1023 C HIS A 66 -6.319 -12.704 2.091 1.00 0.00 C ATOM 1024 O HIS A 66 -5.475 -13.040 1.262 1.00 0.00 O ATOM 1025 CB HIS A 66 -8.127 -14.118 3.202 1.00 0.00 C ATOM 1026 CG HIS A 66 -7.300 -15.350 3.460 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -5.987 -15.604 3.148 1.00 0.00 N flip ATOM 1028 CD2 HIS A 66 -7.780 -16.436 4.145 1.00 0.00 C flip ATOM 1029 CE1 HIS A 66 -5.676 -16.851 3.705 1.00 0.00 C flip ATOM 1030 NE2 HIS A 66 -6.792 -17.322 4.284 1.00 0.00 N flip ATOM 0 H HIS A 66 -7.267 -14.736 0.629 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.395 -12.383 2.017 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.091 -13.494 4.095 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.164 -14.428 3.072 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.789 -16.555 4.511 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.715 -17.343 3.674 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.872 -18.221 4.758 1.00 0.00 H new ATOM 1038 N TRP A 67 -6.044 -11.905 3.117 1.00 0.00 N ATOM 1039 CA TRP A 67 -4.740 -11.329 3.401 1.00 0.00 C ATOM 1040 C TRP A 67 -4.260 -11.893 4.729 1.00 0.00 C ATOM 1041 O TRP A 67 -4.976 -11.750 5.719 1.00 0.00 O ATOM 1042 CB TRP A 67 -4.873 -9.804 3.429 1.00 0.00 C ATOM 1043 CG TRP A 67 -4.985 -9.201 2.063 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.103 -9.045 1.321 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -3.896 -8.744 1.225 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -5.767 -8.494 0.096 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -4.412 -8.302 -0.022 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -2.510 -8.686 1.406 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -3.589 -7.795 -1.038 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -1.669 -8.212 0.392 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -2.202 -7.745 -0.825 1.00 0.00 C ATOM 0 H TRP A 67 -6.753 -11.632 3.798 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.006 -11.581 2.636 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.752 -9.532 4.013 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.008 -9.379 3.938 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.102 -9.309 1.634 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.443 -8.259 -0.630 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.082 -9.012 2.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -4.015 -7.449 -1.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -0.600 -8.204 0.545 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -1.548 -7.351 -1.589 1.00 0.00 H new ATOM 1062 N HIS A 68 -3.105 -12.568 4.776 1.00 0.00 N ATOM 1063 CA HIS A 68 -2.601 -13.102 6.014 1.00 0.00 C ATOM 1064 C HIS A 68 -1.612 -12.068 6.583 1.00 0.00 C ATOM 1065 O HIS A 68 -1.012 -11.306 5.813 1.00 0.00 O ATOM 1066 CB HIS A 68 -1.889 -14.432 5.746 1.00 0.00 C ATOM 1067 CG HIS A 68 -0.482 -14.446 5.200 1.00 0.00 C ATOM 1068 ND1 HIS A 68 0.632 -14.570 6.000 1.00 0.00 N ATOM 1069 CD2 HIS A 68 -0.068 -14.599 3.908 1.00 0.00 C ATOM 1070 CE1 HIS A 68 1.690 -14.795 5.215 1.00 0.00 C ATOM 1071 NE2 HIS A 68 1.315 -14.838 3.927 1.00 0.00 N ATOM 0 H HIS A 68 -2.514 -12.749 3.964 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.408 -13.288 6.723 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.876 -14.986 6.685 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.511 -14.996 5.051 1.00 0.00 H new ATOM 0 HD1 HIS A 68 0.647 -14.502 7.018 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.693 -14.546 3.029 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.703 -14.924 5.567 1.00 0.00 H new ATOM 1079 N PRO A 69 -1.370 -12.051 7.904 1.00 0.00 N ATOM 1080 CA PRO A 69 -0.312 -11.251 8.509 1.00 0.00 C ATOM 1081 C PRO A 69 1.044 -11.790 8.055 1.00 0.00 C ATOM 1082 O PRO A 69 1.364 -12.955 8.283 1.00 0.00 O ATOM 1083 CB PRO A 69 -0.529 -11.355 10.019 1.00 0.00 C ATOM 1084 CG PRO A 69 -1.199 -12.716 10.172 1.00 0.00 C ATOM 1085 CD PRO A 69 -2.037 -12.862 8.910 1.00 0.00 C ATOM 0 HA PRO A 69 -0.333 -10.203 8.211 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.412 -11.304 10.567 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.160 -10.549 10.393 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.463 -13.515 10.256 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.818 -12.757 11.068 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.097 -13.904 8.597 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.059 -12.520 9.076 1.00 0.00 H new ATOM 1093 N ALA A 70 1.848 -10.946 7.414 1.00 0.00 N ATOM 1094 CA ALA A 70 3.154 -11.294 6.871 1.00 0.00 C ATOM 1095 C ALA A 70 4.261 -10.652 7.716 1.00 0.00 C ATOM 1096 O ALA A 70 5.267 -10.183 7.173 1.00 0.00 O ATOM 1097 CB ALA A 70 3.200 -10.927 5.385 1.00 0.00 C ATOM 0 H ALA A 70 1.599 -9.970 7.254 1.00 0.00 H new ATOM 0 HA ALA A 70 3.327 -12.369 6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.177 -11.186 4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.425 -11.476 4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.031 -9.856 5.269 1.00 0.00 H new ATOM 1103 N ALA A 71 4.073 -10.669 9.045 1.00 0.00 N ATOM 1104 CA ALA A 71 4.970 -10.136 10.071 1.00 0.00 C ATOM 1105 C ALA A 71 5.048 -8.594 10.051 1.00 0.00 C ATOM 1106 O ALA A 71 4.557 -7.961 9.112 1.00 0.00 O ATOM 1107 CB ALA A 71 6.340 -10.816 9.946 1.00 0.00 C ATOM 0 H ALA A 71 3.235 -11.083 9.453 1.00 0.00 H new ATOM 0 HA ALA A 71 4.562 -10.372 11.054 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.012 -10.422 10.708 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.226 -11.891 10.083 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.756 -10.618 8.958 1.00 0.00 H new ATOM 1113 N PRO A 72 5.595 -7.948 11.097 1.00 0.00 N ATOM 1114 CA PRO A 72 5.953 -6.539 11.020 1.00 0.00 C ATOM 1115 C PRO A 72 7.186 -6.332 10.127 1.00 0.00 C ATOM 1116 O PRO A 72 7.765 -7.295 9.607 1.00 0.00 O ATOM 1117 CB PRO A 72 6.216 -6.117 12.459 1.00 0.00 C ATOM 1118 CG PRO A 72 6.768 -7.380 13.098 1.00 0.00 C ATOM 1119 CD PRO A 72 5.969 -8.480 12.403 1.00 0.00 C ATOM 0 HA PRO A 72 5.164 -5.937 10.569 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.929 -5.294 12.513 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.304 -5.782 12.953 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.839 -7.487 12.926 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.616 -7.388 14.177 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.565 -9.387 12.298 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.085 -8.745 12.983 1.00 0.00 H new ATOM 1127 N LEU A 73 7.579 -5.066 9.952 1.00 0.00 N ATOM 1128 CA LEU A 73 8.580 -4.648 8.976 1.00 0.00 C ATOM 1129 C LEU A 73 9.467 -3.521 9.522 1.00 0.00 C ATOM 1130 O LEU A 73 8.934 -2.636 10.195 1.00 0.00 O ATOM 1131 CB LEU A 73 7.817 -4.132 7.749 1.00 0.00 C ATOM 1132 CG LEU A 73 8.661 -3.901 6.491 1.00 0.00 C ATOM 1133 CD1 LEU A 73 9.035 -5.207 5.786 1.00 0.00 C ATOM 1134 CD2 LEU A 73 7.912 -3.000 5.512 1.00 0.00 C ATOM 0 H LEU A 73 7.201 -4.291 10.497 1.00 0.00 H new ATOM 0 HA LEU A 73 9.229 -5.489 8.735 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.028 -4.844 7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.330 -3.194 8.015 1.00 0.00 H new ATOM 0 HG LEU A 73 9.584 -3.421 6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.632 -4.985 4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.612 -5.835 6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.128 -5.733 5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.522 -2.843 4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.972 -3.473 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.707 -2.040 5.985 1.00 0.00 H new ATOM 1146 N PRO A 74 10.768 -3.472 9.176 1.00 0.00 N ATOM 1147 CA PRO A 74 11.652 -2.390 9.593 1.00 0.00 C ATOM 1148 C PRO A 74 11.299 -1.042 8.946 1.00 0.00 C ATOM 1149 O PRO A 74 10.650 -1.002 7.895 1.00 0.00 O ATOM 1150 CB PRO A 74 13.056 -2.832 9.164 1.00 0.00 C ATOM 1151 CG PRO A 74 12.821 -3.801 8.015 1.00 0.00 C ATOM 1152 CD PRO A 74 11.527 -4.478 8.439 1.00 0.00 C ATOM 0 HA PRO A 74 11.565 -2.224 10.667 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.660 -1.981 8.848 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.588 -3.313 9.985 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.719 -3.286 7.060 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.639 -4.513 7.907 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.969 -4.830 7.572 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.729 -5.349 9.063 1.00 0.00 H new ATOM 1160 N PRO A 75 11.850 0.071 9.468 1.00 0.00 N ATOM 1161 CA PRO A 75 11.708 1.399 8.877 1.00 0.00 C ATOM 1162 C PRO A 75 12.302 1.501 7.469 1.00 0.00 C ATOM 1163 O PRO A 75 11.923 2.389 6.706 1.00 0.00 O ATOM 1164 CB PRO A 75 12.414 2.357 9.841 1.00 0.00 C ATOM 1165 CG PRO A 75 13.409 1.468 10.584 1.00 0.00 C ATOM 1166 CD PRO A 75 12.655 0.147 10.681 1.00 0.00 C ATOM 0 HA PRO A 75 10.653 1.641 8.749 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.919 3.161 9.306 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.708 2.825 10.527 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.346 1.362 10.038 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.656 1.868 11.567 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.344 -0.695 10.749 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.027 0.117 11.572 1.00 0.00 H new ATOM 1174 N GLU A 76 13.238 0.627 7.103 1.00 0.00 N ATOM 1175 CA GLU A 76 13.812 0.594 5.763 1.00 0.00 C ATOM 1176 C GLU A 76 12.984 -0.254 4.800 1.00 0.00 C ATOM 1177 O GLU A 76 13.120 -0.095 3.588 1.00 0.00 O ATOM 1178 CB GLU A 76 15.267 0.133 5.810 1.00 0.00 C ATOM 1179 CG GLU A 76 15.471 -1.266 6.372 1.00 0.00 C ATOM 1180 CD GLU A 76 16.915 -1.674 6.143 1.00 0.00 C ATOM 1181 OE1 GLU A 76 17.230 -2.182 5.049 1.00 0.00 O ATOM 1182 OE2 GLU A 76 17.742 -1.456 7.053 1.00 0.00 O ATOM 0 H GLU A 76 13.620 -0.080 7.731 1.00 0.00 H new ATOM 0 HA GLU A 76 13.791 1.612 5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.678 0.168 4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.839 0.839 6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.237 -1.284 7.436 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.797 -1.971 5.886 1.00 0.00 H new ATOM 1189 N GLY A 77 12.085 -1.105 5.304 1.00 0.00 N ATOM 1190 CA GLY A 77 11.266 -1.920 4.424 1.00 0.00 C ATOM 1191 C GLY A 77 10.276 -1.075 3.618 1.00 0.00 C ATOM 1192 O GLY A 77 9.988 -1.394 2.462 1.00 0.00 O ATOM 0 H GLY A 77 11.913 -1.241 6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.909 -2.475 3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.719 -2.655 5.015 1.00 0.00 H new ATOM 1196 N LEU A 78 9.778 0.027 4.190 1.00 0.00 N ATOM 1197 CA LEU A 78 9.025 1.057 3.467 1.00 0.00 C ATOM 1198 C LEU A 78 9.860 1.525 2.277 1.00 0.00 C ATOM 1199 O LEU A 78 9.442 1.385 1.130 1.00 0.00 O ATOM 1200 CB LEU A 78 8.722 2.221 4.433 1.00 0.00 C ATOM 1201 CG LEU A 78 8.164 3.501 3.774 1.00 0.00 C ATOM 1202 CD1 LEU A 78 6.842 3.234 3.059 1.00 0.00 C ATOM 1203 CD2 LEU A 78 7.949 4.575 4.848 1.00 0.00 C ATOM 0 H LEU A 78 9.889 0.231 5.183 1.00 0.00 H new ATOM 0 HA LEU A 78 8.079 0.664 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.006 1.875 5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.638 2.477 4.965 1.00 0.00 H new ATOM 0 HG LEU A 78 8.888 3.842 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.480 4.157 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.994 2.485 2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.108 2.869 3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.555 5.479 4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.240 4.210 5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.899 4.800 5.333 1.00 0.00 H new ATOM 1215 N ASN A 79 11.062 2.030 2.563 1.00 0.00 N ATOM 1216 CA ASN A 79 12.048 2.516 1.607 1.00 0.00 C ATOM 1217 C ASN A 79 12.261 1.577 0.421 1.00 0.00 C ATOM 1218 O ASN A 79 12.475 2.033 -0.701 1.00 0.00 O ATOM 1219 CB ASN A 79 13.379 2.697 2.357 1.00 0.00 C ATOM 1220 CG ASN A 79 13.938 4.071 2.125 1.00 0.00 C ATOM 1221 OD1 ASN A 79 14.805 4.273 1.285 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.410 5.052 2.827 1.00 0.00 N ATOM 0 H ASN A 79 11.388 2.114 3.526 1.00 0.00 H new ATOM 0 HA ASN A 79 11.678 3.454 1.192 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.225 2.537 3.424 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.095 1.947 2.022 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.722 6.012 2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.689 4.852 3.520 1.00 0.00 H new ATOM 1229 N ASP A 80 12.234 0.269 0.668 1.00 0.00 N ATOM 1230 CA ASP A 80 12.469 -0.767 -0.331 1.00 0.00 C ATOM 1231 C ASP A 80 11.316 -0.873 -1.328 1.00 0.00 C ATOM 1232 O ASP A 80 11.537 -1.107 -2.519 1.00 0.00 O ATOM 1233 CB ASP A 80 12.676 -2.114 0.385 1.00 0.00 C ATOM 1234 CG ASP A 80 13.896 -2.877 -0.127 1.00 0.00 C ATOM 1235 OD1 ASP A 80 14.917 -2.243 -0.483 1.00 0.00 O ATOM 1236 OD2 ASP A 80 13.866 -4.124 -0.131 1.00 0.00 O ATOM 0 H ASP A 80 12.042 -0.108 1.596 1.00 0.00 H new ATOM 0 HA ASP A 80 13.360 -0.500 -0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.786 -1.938 1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.787 -2.730 0.253 1.00 0.00 H new ATOM 1241 N LEU A 81 10.084 -0.698 -0.846 1.00 0.00 N ATOM 1242 CA LEU A 81 8.870 -0.677 -1.651 1.00 0.00 C ATOM 1243 C LEU A 81 8.803 0.582 -2.502 1.00 0.00 C ATOM 1244 O LEU A 81 8.589 0.481 -3.708 1.00 0.00 O ATOM 1245 CB LEU A 81 7.643 -0.738 -0.727 1.00 0.00 C ATOM 1246 CG LEU A 81 6.723 -1.940 -0.972 1.00 0.00 C ATOM 1247 CD1 LEU A 81 7.451 -3.286 -0.845 1.00 0.00 C ATOM 1248 CD2 LEU A 81 5.578 -1.806 0.038 1.00 0.00 C ATOM 0 H LEU A 81 9.902 -0.563 0.149 1.00 0.00 H new ATOM 0 HA LEU A 81 8.880 -1.541 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.984 -0.762 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.065 0.178 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 81 6.351 -1.934 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.748 -4.099 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.259 -3.333 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.863 -3.383 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.884 -2.637 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.982 -1.819 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.052 -0.866 -0.131 1.00 0.00 H new ATOM 1260 N ILE A 82 8.976 1.759 -1.889 1.00 0.00 N ATOM 1261 CA ILE A 82 8.890 3.043 -2.590 1.00 0.00 C ATOM 1262 C ILE A 82 9.903 3.069 -3.739 1.00 0.00 C ATOM 1263 O ILE A 82 9.572 3.531 -4.831 1.00 0.00 O ATOM 1264 CB ILE A 82 9.053 4.228 -1.617 1.00 0.00 C ATOM 1265 CG1 ILE A 82 8.130 4.173 -0.382 1.00 0.00 C ATOM 1266 CG2 ILE A 82 8.827 5.568 -2.332 1.00 0.00 C ATOM 1267 CD1 ILE A 82 6.614 4.293 -0.601 1.00 0.00 C ATOM 0 H ILE A 82 9.179 1.847 -0.893 1.00 0.00 H new ATOM 0 HA ILE A 82 7.896 3.152 -3.023 1.00 0.00 H new ATOM 0 HB ILE A 82 10.080 4.145 -1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.318 3.231 0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.433 4.972 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.948 6.385 -1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.553 5.677 -3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.819 5.594 -2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.102 4.237 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.390 5.248 -1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.273 3.480 -1.242 1.00 0.00 H new ATOM 1279 N ARG A 83 11.078 2.451 -3.549 1.00 0.00 N ATOM 1280 CA ARG A 83 12.091 2.259 -4.576 1.00 0.00 C ATOM 1281 C ARG A 83 11.514 1.751 -5.895 1.00 0.00 C ATOM 1282 O ARG A 83 11.973 2.196 -6.939 1.00 0.00 O ATOM 1283 CB ARG A 83 13.149 1.287 -4.043 1.00 0.00 C ATOM 1284 CG ARG A 83 14.565 1.748 -4.360 1.00 0.00 C ATOM 1285 CD ARG A 83 14.975 1.521 -5.814 1.00 0.00 C ATOM 1286 NE ARG A 83 16.437 1.544 -5.942 1.00 0.00 N ATOM 1287 CZ ARG A 83 17.117 1.550 -7.087 1.00 0.00 C ATOM 1288 NH1 ARG A 83 16.490 1.688 -8.251 1.00 0.00 N ATOM 1289 NH2 ARG A 83 18.433 1.424 -7.055 1.00 0.00 N ATOM 0 H ARG A 83 11.350 2.062 -2.646 1.00 0.00 H new ATOM 0 HA ARG A 83 12.537 3.229 -4.796 1.00 0.00 H new ATOM 0 HB2 ARG A 83 13.035 1.185 -2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 83 12.984 0.300 -4.476 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.652 2.810 -4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 83 15.263 1.222 -3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 83 14.588 0.564 -6.163 1.00 0.00 H new ATOM 0 HD3 ARG A 83 14.536 2.292 -6.447 1.00 0.00 H new ATOM 0 HE ARG A 83 16.980 1.556 -5.078 1.00 0.00 H new ATOM 0 HH11 ARG A 83 15.475 1.791 -8.275 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.023 1.691 -9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.914 1.324 -6.161 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.967 1.427 -7.924 1.00 0.00 H new ATOM 1303 N ALA A 84 10.535 0.839 -5.854 1.00 0.00 N ATOM 1304 CA ALA A 84 9.887 0.295 -7.039 1.00 0.00 C ATOM 1305 C ALA A 84 9.211 1.420 -7.814 1.00 0.00 C ATOM 1306 O ALA A 84 9.601 1.709 -8.938 1.00 0.00 O ATOM 1307 CB ALA A 84 8.901 -0.817 -6.645 1.00 0.00 C ATOM 0 H ALA A 84 10.170 0.457 -4.981 1.00 0.00 H new ATOM 0 HA ALA A 84 10.632 -0.157 -7.693 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.424 -1.214 -7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.439 -1.616 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.140 -0.410 -5.979 1.00 0.00 H new ATOM 1313 N HIS A 85 8.234 2.086 -7.202 1.00 0.00 N ATOM 1314 CA HIS A 85 7.454 3.151 -7.824 1.00 0.00 C ATOM 1315 C HIS A 85 8.370 4.282 -8.310 1.00 0.00 C ATOM 1316 O HIS A 85 8.191 4.831 -9.396 1.00 0.00 O ATOM 1317 CB HIS A 85 6.430 3.623 -6.806 1.00 0.00 C ATOM 1318 CG HIS A 85 5.687 4.876 -7.162 1.00 0.00 C ATOM 1319 ND1 HIS A 85 4.468 4.989 -7.803 1.00 0.00 N ATOM 1320 CD2 HIS A 85 6.089 6.126 -6.793 1.00 0.00 C ATOM 1321 CE1 HIS A 85 4.138 6.291 -7.796 1.00 0.00 C ATOM 1322 NE2 HIS A 85 5.110 7.015 -7.216 1.00 0.00 N ATOM 0 H HIS A 85 7.957 1.895 -6.239 1.00 0.00 H new ATOM 0 HA HIS A 85 6.934 2.789 -8.711 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.705 2.824 -6.651 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.938 3.782 -5.855 1.00 0.00 H new ATOM 0 HD1 HIS A 85 3.922 4.227 -8.206 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.999 6.377 -6.269 1.00 0.00 H new ATOM 0 HE1 HIS A 85 3.222 6.698 -8.199 1.00 0.00 H new ATOM 1330 N CYS A 86 9.397 4.606 -7.530 1.00 0.00 N ATOM 1331 CA CYS A 86 10.370 5.606 -7.919 1.00 0.00 C ATOM 1332 C CYS A 86 11.168 5.173 -9.149 1.00 0.00 C ATOM 1333 O CYS A 86 11.406 6.005 -10.022 1.00 0.00 O ATOM 1334 CB CYS A 86 11.292 5.862 -6.734 1.00 0.00 C ATOM 1335 SG CYS A 86 10.410 6.801 -5.455 1.00 0.00 S ATOM 0 H CYS A 86 9.572 4.183 -6.619 1.00 0.00 H new ATOM 0 HA CYS A 86 9.851 6.524 -8.195 1.00 0.00 H new ATOM 0 HB2 CYS A 86 11.643 4.915 -6.325 1.00 0.00 H new ATOM 0 HB3 CYS A 86 12.173 6.415 -7.060 1.00 0.00 H new ATOM 0 HG CYS A 86 11.011 6.649 -4.313 1.00 0.00 H new ATOM 1341 N ALA A 87 11.568 3.904 -9.229 1.00 0.00 N ATOM 1342 CA ALA A 87 12.322 3.346 -10.342 1.00 0.00 C ATOM 1343 C ALA A 87 11.494 3.273 -11.625 1.00 0.00 C ATOM 1344 O ALA A 87 12.036 3.542 -12.699 1.00 0.00 O ATOM 1345 CB ALA A 87 12.847 1.958 -9.960 1.00 0.00 C ATOM 0 H ALA A 87 11.369 3.220 -8.499 1.00 0.00 H new ATOM 0 HA ALA A 87 13.160 4.012 -10.546 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.412 1.540 -10.794 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.496 2.042 -9.088 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.008 1.303 -9.726 1.00 0.00 H new ATOM 1351 N THR A 88 10.203 2.940 -11.542 1.00 0.00 N ATOM 1352 CA THR A 88 9.363 2.886 -12.741 1.00 0.00 C ATOM 1353 C THR A 88 9.240 4.285 -13.352 1.00 0.00 C ATOM 1354 O THR A 88 9.335 4.412 -14.577 1.00 0.00 O ATOM 1355 CB THR A 88 8.018 2.156 -12.505 1.00 0.00 C ATOM 1356 OG1 THR A 88 7.123 2.293 -13.593 1.00 0.00 O ATOM 1357 CG2 THR A 88 7.239 2.556 -11.263 1.00 0.00 C ATOM 0 H THR A 88 9.723 2.707 -10.673 1.00 0.00 H new ATOM 0 HA THR A 88 9.853 2.261 -13.487 1.00 0.00 H new ATOM 0 HB THR A 88 8.359 1.129 -12.377 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.291 1.814 -13.395 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.318 1.976 -11.209 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.843 2.362 -10.377 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.997 3.618 -11.312 1.00 0.00 H new ATOM 1365 N LEU A 89 9.088 5.321 -12.516 1.00 0.00 N ATOM 1366 CA LEU A 89 8.877 6.694 -12.956 1.00 0.00 C ATOM 1367 C LEU A 89 10.232 7.314 -13.303 1.00 0.00 C ATOM 1368 O LEU A 89 10.580 7.453 -14.478 1.00 0.00 O ATOM 1369 CB LEU A 89 8.094 7.470 -11.870 1.00 0.00 C ATOM 1370 CG LEU A 89 6.692 6.880 -11.592 1.00 0.00 C ATOM 1371 CD1 LEU A 89 6.027 7.538 -10.385 1.00 0.00 C ATOM 1372 CD2 LEU A 89 5.761 7.000 -12.796 1.00 0.00 C ATOM 0 H LEU A 89 9.110 5.220 -11.501 1.00 0.00 H new ATOM 0 HA LEU A 89 8.268 6.735 -13.859 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.671 7.470 -10.945 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.989 8.510 -12.180 1.00 0.00 H new ATOM 0 HG LEU A 89 6.856 5.823 -11.381 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.044 7.095 -10.224 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.644 7.383 -9.500 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.917 8.607 -10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.790 6.571 -12.549 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.638 8.051 -13.057 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.190 6.464 -13.642 1.00 0.00 H new ATOM 1384 N GLY A 90 11.041 7.610 -12.292 1.00 0.00 N ATOM 1385 CA GLY A 90 12.339 8.254 -12.429 1.00 0.00 C ATOM 1386 C GLY A 90 12.604 9.213 -11.273 1.00 0.00 C ATOM 1387 O GLY A 90 13.088 10.324 -11.511 1.00 0.00 O ATOM 0 H GLY A 90 10.802 7.401 -11.323 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.122 7.496 -12.463 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.380 8.798 -13.373 1.00 0.00 H new ATOM 1391 N HIS A 91 12.271 8.817 -10.042 1.00 0.00 N ATOM 1392 CA HIS A 91 12.366 9.663 -8.855 1.00 0.00 C ATOM 1393 C HIS A 91 13.222 9.007 -7.771 1.00 0.00 C ATOM 1394 O HIS A 91 13.670 7.865 -7.902 1.00 0.00 O ATOM 1395 CB HIS A 91 10.952 9.959 -8.342 1.00 0.00 C ATOM 1396 CG HIS A 91 10.263 11.017 -9.163 1.00 0.00 C ATOM 1397 ND1 HIS A 91 10.552 12.365 -9.149 1.00 0.00 N ATOM 1398 CD2 HIS A 91 9.256 10.823 -10.068 1.00 0.00 C ATOM 1399 CE1 HIS A 91 9.759 12.966 -10.045 1.00 0.00 C ATOM 1400 NE2 HIS A 91 8.956 12.066 -10.628 1.00 0.00 N ATOM 0 H HIS A 91 11.921 7.880 -9.841 1.00 0.00 H new ATOM 0 HA HIS A 91 12.857 10.599 -9.120 1.00 0.00 H new ATOM 0 HB2 HIS A 91 10.361 9.044 -8.361 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.004 10.284 -7.303 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.781 9.883 -10.305 1.00 0.00 H new ATOM 0 HE1 HIS A 91 9.766 14.023 -10.266 1.00 0.00 H new ATOM 0 HE2 HIS A 91 8.257 12.254 -11.346 1.00 0.00 H new ATOM 1408 N CYS A 92 13.419 9.716 -6.657 1.00 0.00 N ATOM 1409 CA CYS A 92 13.966 9.146 -5.432 1.00 0.00 C ATOM 1410 C CYS A 92 13.332 9.803 -4.220 1.00 0.00 C ATOM 1411 O CYS A 92 12.746 9.174 -3.346 1.00 0.00 O ATOM 1412 CB CYS A 92 15.495 9.308 -5.458 1.00 0.00 C ATOM 1413 SG CYS A 92 16.239 8.823 -3.876 1.00 0.00 S ATOM 0 H CYS A 92 13.200 10.710 -6.583 1.00 0.00 H new ATOM 0 HA CYS A 92 13.736 8.083 -5.365 1.00 0.00 H new ATOM 0 HB2 CYS A 92 15.913 8.700 -6.260 1.00 0.00 H new ATOM 0 HB3 CYS A 92 15.749 10.345 -5.679 1.00 0.00 H new ATOM 0 HG CYS A 92 17.529 8.972 -3.939 1.00 0.00 H new ATOM 1419 N CYS A 93 13.442 11.111 -4.187 1.00 0.00 N ATOM 1420 CA CYS A 93 13.052 11.923 -3.051 1.00 0.00 C ATOM 1421 C CYS A 93 12.528 13.273 -3.532 1.00 0.00 C ATOM 1422 O CYS A 93 12.403 13.506 -4.736 1.00 0.00 O ATOM 1423 CB CYS A 93 14.254 12.065 -2.099 1.00 0.00 C ATOM 1424 SG CYS A 93 15.769 12.593 -2.951 1.00 0.00 S ATOM 0 H CYS A 93 13.813 11.655 -4.966 1.00 0.00 H new ATOM 0 HA CYS A 93 12.242 11.445 -2.500 1.00 0.00 H new ATOM 0 HB2 CYS A 93 14.011 12.787 -1.319 1.00 0.00 H new ATOM 0 HB3 CYS A 93 14.435 11.111 -1.605 1.00 0.00 H new ATOM 0 HG CYS A 93 16.350 11.559 -3.483 1.00 0.00 H new ATOM 1430 N THR A 94 12.187 14.147 -2.590 1.00 0.00 N ATOM 1431 CA THR A 94 11.714 15.490 -2.883 1.00 0.00 C ATOM 1432 C THR A 94 12.098 16.427 -1.734 1.00 0.00 C ATOM 1433 O THR A 94 12.593 17.525 -2.005 1.00 0.00 O ATOM 1434 CB THR A 94 10.206 15.456 -3.219 1.00 0.00 C ATOM 1435 OG1 THR A 94 9.678 16.761 -3.305 1.00 0.00 O ATOM 1436 CG2 THR A 94 9.380 14.650 -2.213 1.00 0.00 C ATOM 0 H THR A 94 12.233 13.938 -1.593 1.00 0.00 H new ATOM 0 HA THR A 94 12.198 15.894 -3.772 1.00 0.00 H new ATOM 0 HB THR A 94 10.132 14.956 -4.185 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.723 16.714 -3.520 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.331 14.667 -2.508 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.735 13.620 -2.193 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.485 15.089 -1.221 1.00 0.00 H new ATOM 1444 N SER A 95 11.958 15.998 -0.471 1.00 0.00 N ATOM 1445 CA SER A 95 12.050 16.883 0.683 1.00 0.00 C ATOM 1446 C SER A 95 12.967 16.324 1.777 1.00 0.00 C ATOM 1447 O SER A 95 13.857 17.048 2.234 1.00 0.00 O ATOM 1448 CB SER A 95 10.620 17.156 1.173 1.00 0.00 C ATOM 1449 OG SER A 95 10.568 18.228 2.098 1.00 0.00 O ATOM 0 H SER A 95 11.778 15.024 -0.228 1.00 0.00 H new ATOM 0 HA SER A 95 12.519 17.825 0.398 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.982 17.384 0.319 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.219 16.256 1.639 1.00 0.00 H new ATOM 0 HG SER A 95 9.641 18.369 2.383 1.00 0.00 H new ATOM 1455 N LYS A 96 12.770 15.080 2.237 1.00 0.00 N ATOM 1456 CA LYS A 96 13.523 14.523 3.366 1.00 0.00 C ATOM 1457 C LYS A 96 13.730 13.025 3.197 1.00 0.00 C ATOM 1458 O LYS A 96 12.859 12.234 3.554 1.00 0.00 O ATOM 1459 CB LYS A 96 12.930 14.908 4.731 1.00 0.00 C ATOM 1460 CG LYS A 96 11.458 14.524 4.887 1.00 0.00 C ATOM 1461 CD LYS A 96 10.773 15.298 6.014 1.00 0.00 C ATOM 1462 CE LYS A 96 11.260 14.855 7.396 1.00 0.00 C ATOM 1463 NZ LYS A 96 10.622 15.656 8.460 1.00 0.00 N ATOM 0 H LYS A 96 12.087 14.436 1.838 1.00 0.00 H new ATOM 0 HA LYS A 96 14.512 14.982 3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 96 13.509 14.425 5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.034 15.984 4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.934 14.712 3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.383 13.455 5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.962 16.364 5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.694 15.156 5.947 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.034 13.799 7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.343 14.960 7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.967 15.338 9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.859 16.660 8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.590 15.535 8.414 1.00 0.00 H new ATOM 1477 N MET A 97 14.901 12.642 2.688 1.00 0.00 N ATOM 1478 CA MET A 97 15.205 11.275 2.290 1.00 0.00 C ATOM 1479 C MET A 97 14.076 10.779 1.364 1.00 0.00 C ATOM 1480 O MET A 97 13.394 11.584 0.723 1.00 0.00 O ATOM 1481 CB MET A 97 15.490 10.457 3.569 1.00 0.00 C ATOM 1482 CG MET A 97 16.078 9.057 3.353 1.00 0.00 C ATOM 1483 SD MET A 97 14.947 7.702 3.779 1.00 0.00 S ATOM 1484 CE MET A 97 14.899 7.867 5.589 1.00 0.00 C ATOM 0 H MET A 97 15.676 13.288 2.540 1.00 0.00 H new ATOM 0 HA MET A 97 16.110 11.170 1.691 1.00 0.00 H new ATOM 0 HB2 MET A 97 16.178 11.026 4.195 1.00 0.00 H new ATOM 0 HB3 MET A 97 14.559 10.357 4.127 1.00 0.00 H new ATOM 0 HG2 MET A 97 16.372 8.956 2.308 1.00 0.00 H new ATOM 0 HG3 MET A 97 16.985 8.960 3.950 1.00 0.00 H new ATOM 0 HE1 MET A 97 14.376 7.012 6.019 1.00 0.00 H new ATOM 0 HE2 MET A 97 15.917 7.903 5.978 1.00 0.00 H new ATOM 0 HE3 MET A 97 14.375 8.785 5.857 1.00 0.00 H new ATOM 1494 N HIS A 98 13.894 9.466 1.242 1.00 0.00 N ATOM 1495 CA HIS A 98 12.763 8.875 0.544 1.00 0.00 C ATOM 1496 C HIS A 98 11.477 9.476 1.130 1.00 0.00 C ATOM 1497 O HIS A 98 10.776 10.229 0.449 1.00 0.00 O ATOM 1498 CB HIS A 98 12.832 7.337 0.661 1.00 0.00 C ATOM 1499 CG HIS A 98 12.730 6.559 -0.624 1.00 0.00 C ATOM 1500 ND1 HIS A 98 13.379 5.373 -0.877 1.00 0.00 N ATOM 1501 CD2 HIS A 98 11.985 6.862 -1.728 1.00 0.00 C ATOM 1502 CE1 HIS A 98 13.037 4.968 -2.106 1.00 0.00 C ATOM 1503 NE2 HIS A 98 12.193 5.843 -2.667 1.00 0.00 N ATOM 0 H HIS A 98 14.538 8.777 1.631 1.00 0.00 H new ATOM 0 HA HIS A 98 12.780 9.101 -0.522 1.00 0.00 H new ATOM 0 HB2 HIS A 98 13.772 7.074 1.145 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.030 7.009 1.323 1.00 0.00 H new ATOM 0 HD1 HIS A 98 14.010 4.887 -0.240 1.00 0.00 H new ATOM 0 HD2 HIS A 98 11.352 7.728 -1.854 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.392 4.064 -2.578 1.00 0.00 H new ATOM 1511 N LEU A 99 11.185 9.164 2.396 1.00 0.00 N ATOM 1512 CA LEU A 99 9.979 9.530 3.120 1.00 0.00 C ATOM 1513 C LEU A 99 10.305 9.682 4.588 1.00 0.00 C ATOM 1514 O LEU A 99 11.165 8.978 5.120 1.00 0.00 O ATOM 1515 CB LEU A 99 8.951 8.401 3.026 1.00 0.00 C ATOM 1516 CG LEU A 99 8.376 8.166 1.627 1.00 0.00 C ATOM 1517 CD1 LEU A 99 7.511 6.921 1.753 1.00 0.00 C ATOM 1518 CD2 LEU A 99 7.532 9.354 1.150 1.00 0.00 C ATOM 0 H LEU A 99 11.826 8.617 2.971 1.00 0.00 H new ATOM 0 HA LEU A 99 9.591 10.454 2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.415 7.477 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.130 8.620 3.708 1.00 0.00 H new ATOM 0 HG LEU A 99 9.173 8.048 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.064 6.689 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.126 6.082 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.723 7.098 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.143 9.147 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.702 9.510 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.151 10.251 1.119 1.00 0.00 H new ATOM 1530 N HIS A 100 9.512 10.511 5.255 1.00 0.00 N ATOM 1531 CA HIS A 100 9.465 10.614 6.695 1.00 0.00 C ATOM 1532 C HIS A 100 8.701 9.449 7.329 1.00 0.00 C ATOM 1533 O HIS A 100 9.174 8.880 8.310 1.00 0.00 O ATOM 1534 CB HIS A 100 8.850 11.972 7.027 1.00 0.00 C ATOM 1535 CG HIS A 100 8.614 12.232 8.489 1.00 0.00 C ATOM 1536 ND1 HIS A 100 7.381 12.433 9.062 1.00 0.00 N ATOM 1537 CD2 HIS A 100 9.562 12.355 9.469 1.00 0.00 C ATOM 1538 CE1 HIS A 100 7.579 12.695 10.365 1.00 0.00 C ATOM 1539 NE2 HIS A 100 8.896 12.679 10.657 1.00 0.00 N ATOM 0 H HIS A 100 8.866 11.147 4.787 1.00 0.00 H new ATOM 0 HA HIS A 100 10.468 10.549 7.117 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.503 12.753 6.637 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.899 12.060 6.501 1.00 0.00 H new ATOM 0 HD1 HIS A 100 6.480 12.391 8.585 1.00 0.00 H new ATOM 0 HD2 HIS A 100 10.627 12.226 9.348 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.793 12.891 11.079 1.00 0.00 H new ATOM 1547 N SER A 101 7.520 9.106 6.812 1.00 0.00 N ATOM 1548 CA SER A 101 6.574 8.134 7.403 1.00 0.00 C ATOM 1549 C SER A 101 5.427 7.801 6.418 1.00 0.00 C ATOM 1550 O SER A 101 5.410 8.338 5.310 1.00 0.00 O ATOM 1551 CB SER A 101 6.021 8.691 8.734 1.00 0.00 C ATOM 1552 OG SER A 101 7.004 8.724 9.759 1.00 0.00 O ATOM 0 H SER A 101 7.176 9.507 5.939 1.00 0.00 H new ATOM 0 HA SER A 101 7.106 7.204 7.605 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.636 9.698 8.571 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.181 8.078 9.060 1.00 0.00 H new ATOM 0 HG SER A 101 7.859 8.403 9.403 1.00 0.00 H new ATOM 1558 N VAL A 102 4.476 6.916 6.778 1.00 0.00 N ATOM 1559 CA VAL A 102 3.415 6.460 5.867 1.00 0.00 C ATOM 1560 C VAL A 102 2.467 7.602 5.513 1.00 0.00 C ATOM 1561 O VAL A 102 2.087 7.727 4.353 1.00 0.00 O ATOM 1562 CB VAL A 102 2.628 5.275 6.470 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.499 4.762 5.549 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.603 4.143 6.829 1.00 0.00 C ATOM 0 H VAL A 102 4.425 6.500 7.708 1.00 0.00 H new ATOM 0 HA VAL A 102 3.897 6.117 4.952 1.00 0.00 H new ATOM 0 HB VAL A 102 2.133 5.636 7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.986 3.930 6.031 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.788 5.567 5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.925 4.426 4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.049 3.307 7.255 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.124 3.813 5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.329 4.505 7.557 1.00 0.00 H new ATOM 1574 N MET A 103 2.067 8.429 6.484 1.00 0.00 N ATOM 1575 CA MET A 103 1.153 9.539 6.219 1.00 0.00 C ATOM 1576 C MET A 103 1.752 10.445 5.135 1.00 0.00 C ATOM 1577 O MET A 103 1.081 10.765 4.155 1.00 0.00 O ATOM 1578 CB MET A 103 0.917 10.313 7.516 1.00 0.00 C ATOM 1579 CG MET A 103 -0.224 11.328 7.443 1.00 0.00 C ATOM 1580 SD MET A 103 -1.854 10.707 7.942 1.00 0.00 S ATOM 1581 CE MET A 103 -2.607 10.352 6.333 1.00 0.00 C ATOM 0 H MET A 103 2.362 8.349 7.457 1.00 0.00 H new ATOM 0 HA MET A 103 0.195 9.163 5.859 1.00 0.00 H new ATOM 0 HB2 MET A 103 0.706 9.603 8.316 1.00 0.00 H new ATOM 0 HB3 MET A 103 1.835 10.834 7.787 1.00 0.00 H new ATOM 0 HG2 MET A 103 0.030 12.180 8.074 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.293 11.698 6.420 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.654 10.081 6.473 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.542 11.236 5.698 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.079 9.525 5.859 1.00 0.00 H new ATOM 1591 N ASP A 104 3.040 10.780 5.286 1.00 0.00 N ATOM 1592 CA ASP A 104 3.791 11.597 4.337 1.00 0.00 C ATOM 1593 C ASP A 104 3.787 10.941 2.958 1.00 0.00 C ATOM 1594 O ASP A 104 3.703 11.639 1.953 1.00 0.00 O ATOM 1595 CB ASP A 104 5.247 11.805 4.798 1.00 0.00 C ATOM 1596 CG ASP A 104 5.382 12.692 6.032 1.00 0.00 C ATOM 1597 OD1 ASP A 104 5.297 12.162 7.163 1.00 0.00 O ATOM 1598 OD2 ASP A 104 5.620 13.911 5.874 1.00 0.00 O ATOM 0 H ASP A 104 3.596 10.483 6.088 1.00 0.00 H new ATOM 0 HA ASP A 104 3.304 12.571 4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.693 10.833 5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 104 5.817 12.246 3.981 1.00 0.00 H new ATOM 1603 N ALA A 105 3.858 9.608 2.889 1.00 0.00 N ATOM 1604 CA ALA A 105 3.832 8.867 1.635 1.00 0.00 C ATOM 1605 C ALA A 105 2.501 9.027 0.906 1.00 0.00 C ATOM 1606 O ALA A 105 2.493 9.215 -0.306 1.00 0.00 O ATOM 1607 CB ALA A 105 4.065 7.371 1.904 1.00 0.00 C ATOM 0 H ALA A 105 3.936 9.012 3.713 1.00 0.00 H new ATOM 0 HA ALA A 105 4.625 9.272 1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.044 6.824 0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.035 7.234 2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.281 6.993 2.560 1.00 0.00 H new ATOM 1613 N ILE A 106 1.384 8.902 1.623 1.00 0.00 N ATOM 1614 CA ILE A 106 0.051 8.970 1.033 1.00 0.00 C ATOM 1615 C ILE A 106 -0.116 10.325 0.346 1.00 0.00 C ATOM 1616 O ILE A 106 -0.561 10.382 -0.804 1.00 0.00 O ATOM 1617 CB ILE A 106 -1.017 8.709 2.122 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.913 7.283 2.706 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -2.454 8.989 1.651 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -1.284 6.134 1.762 1.00 0.00 C ATOM 0 H ILE A 106 1.380 8.750 2.632 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.080 8.198 0.275 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.796 9.426 2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.110 7.127 3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.556 7.225 3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.150 8.785 2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.542 10.033 1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.690 8.347 0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.172 5.184 2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.318 6.250 1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.626 6.150 0.893 1.00 0.00 H new ATOM 1632 N ASP A 107 0.246 11.403 1.044 1.00 0.00 N ATOM 1633 CA ASP A 107 0.083 12.753 0.524 1.00 0.00 C ATOM 1634 C ASP A 107 1.146 13.076 -0.526 1.00 0.00 C ATOM 1635 O ASP A 107 0.842 13.796 -1.476 1.00 0.00 O ATOM 1636 CB ASP A 107 0.070 13.776 1.672 1.00 0.00 C ATOM 1637 CG ASP A 107 -1.208 14.609 1.604 1.00 0.00 C ATOM 1638 OD1 ASP A 107 -2.303 14.033 1.793 1.00 0.00 O ATOM 1639 OD2 ASP A 107 -1.146 15.823 1.294 1.00 0.00 O ATOM 0 H ASP A 107 0.656 11.361 1.977 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.882 12.814 0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.130 13.262 2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.943 14.425 1.604 1.00 0.00 H new ATOM 1644 N PHE A 108 2.360 12.518 -0.403 1.00 0.00 N ATOM 1645 CA PHE A 108 3.418 12.636 -1.406 1.00 0.00 C ATOM 1646 C PHE A 108 2.955 12.048 -2.729 1.00 0.00 C ATOM 1647 O PHE A 108 2.999 12.730 -3.746 1.00 0.00 O ATOM 1648 CB PHE A 108 4.703 11.899 -0.980 1.00 0.00 C ATOM 1649 CG PHE A 108 5.750 11.794 -2.085 1.00 0.00 C ATOM 1650 CD1 PHE A 108 6.082 12.914 -2.879 1.00 0.00 C ATOM 1651 CD2 PHE A 108 6.350 10.552 -2.372 1.00 0.00 C ATOM 1652 CE1 PHE A 108 7.020 12.796 -3.921 1.00 0.00 C ATOM 1653 CE2 PHE A 108 7.284 10.440 -3.416 1.00 0.00 C ATOM 1654 CZ PHE A 108 7.638 11.564 -4.178 1.00 0.00 C ATOM 0 H PHE A 108 2.634 11.965 0.409 1.00 0.00 H new ATOM 0 HA PHE A 108 3.636 13.699 -1.509 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.141 12.416 -0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 108 4.441 10.896 -0.645 1.00 0.00 H new ATOM 0 HD1 PHE A 108 5.613 13.867 -2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.091 9.682 -1.787 1.00 0.00 H new ATOM 0 HE1 PHE A 108 7.265 13.657 -4.525 1.00 0.00 H new ATOM 0 HE2 PHE A 108 7.733 9.482 -3.633 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.381 11.481 -4.957 1.00 0.00 H new ATOM 1664 N LEU A 109 2.542 10.780 -2.727 1.00 0.00 N ATOM 1665 CA LEU A 109 2.166 10.079 -3.950 1.00 0.00 C ATOM 1666 C LEU A 109 1.041 10.834 -4.661 1.00 0.00 C ATOM 1667 O LEU A 109 1.121 11.092 -5.862 1.00 0.00 O ATOM 1668 CB LEU A 109 1.817 8.614 -3.616 1.00 0.00 C ATOM 1669 CG LEU A 109 2.994 7.689 -3.207 1.00 0.00 C ATOM 1670 CD1 LEU A 109 2.517 6.234 -3.130 1.00 0.00 C ATOM 1671 CD2 LEU A 109 4.171 7.759 -4.172 1.00 0.00 C ATOM 0 H LEU A 109 2.460 10.215 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 109 3.001 10.050 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.088 8.615 -2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.326 8.175 -4.485 1.00 0.00 H new ATOM 0 HG LEU A 109 3.335 8.042 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.350 5.593 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.722 6.150 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.139 5.923 -4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.961 7.090 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.844 7.457 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.551 8.780 -4.209 1.00 0.00 H new ATOM 1683 N ASN A 110 0.060 11.293 -3.890 1.00 0.00 N ATOM 1684 CA ASN A 110 -1.039 12.107 -4.408 1.00 0.00 C ATOM 1685 C ASN A 110 -0.627 13.505 -4.857 1.00 0.00 C ATOM 1686 O ASN A 110 -1.477 14.212 -5.398 1.00 0.00 O ATOM 1687 CB ASN A 110 -2.107 12.254 -3.318 1.00 0.00 C ATOM 1688 CG ASN A 110 -3.156 11.157 -3.336 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -4.075 11.192 -4.149 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -3.054 10.213 -2.414 1.00 0.00 N ATOM 0 H ASN A 110 0.003 11.112 -2.888 1.00 0.00 H new ATOM 0 HA ASN A 110 -1.411 11.585 -5.290 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.619 12.261 -2.343 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.601 13.218 -3.434 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.756 9.475 -2.359 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -2.273 10.223 -1.758 1.00 0.00 H new ATOM 1697 N ALA A 111 0.613 13.942 -4.616 1.00 0.00 N ATOM 1698 CA ALA A 111 1.132 15.211 -5.063 1.00 0.00 C ATOM 1699 C ALA A 111 2.136 15.065 -6.215 1.00 0.00 C ATOM 1700 O ALA A 111 2.566 16.085 -6.761 1.00 0.00 O ATOM 1701 CB ALA A 111 1.819 15.888 -3.879 1.00 0.00 C ATOM 0 H ALA A 111 1.293 13.396 -4.087 1.00 0.00 H new ATOM 0 HA ALA A 111 0.299 15.806 -5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.220 16.851 -4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 111 1.096 16.040 -3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.632 15.256 -3.520 1.00 0.00 H new ATOM 1707 N LEU A 112 2.548 13.846 -6.572 1.00 0.00 N ATOM 1708 CA LEU A 112 3.496 13.539 -7.578 1.00 0.00 C ATOM 1709 C LEU A 112 2.755 13.159 -8.865 1.00 0.00 C ATOM 1710 O LEU A 112 3.141 13.611 -9.942 1.00 0.00 O ATOM 1711 CB LEU A 112 4.267 12.378 -6.886 1.00 0.00 C ATOM 1712 CG LEU A 112 4.768 11.306 -7.818 1.00 0.00 C ATOM 1713 CD1 LEU A 112 5.733 12.007 -8.764 1.00 0.00 C ATOM 1714 CD2 LEU A 112 5.485 10.182 -7.084 1.00 0.00 C ATOM 0 H LEU A 112 2.186 13.008 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 112 4.168 14.334 -7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.117 12.796 -6.346 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.614 11.918 -6.145 1.00 0.00 H new ATOM 0 HG LEU A 112 3.932 10.837 -8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.137 11.284 -9.473 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.205 12.791 -9.307 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.548 12.448 -8.191 1.00 0.00 H new ATOM 0 HD21 LEU A 112 5.825 9.437 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.343 10.587 -6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.801 9.716 -6.375 1.00 0.00 H new ATOM 1726 N GLU A 113 1.745 12.299 -8.730 1.00 0.00 N ATOM 1727 CA GLU A 113 1.234 11.441 -9.796 1.00 0.00 C ATOM 1728 C GLU A 113 0.768 12.208 -11.037 1.00 0.00 C ATOM 1729 O GLU A 113 0.416 13.388 -10.945 1.00 0.00 O ATOM 1730 CB GLU A 113 0.126 10.520 -9.244 1.00 0.00 C ATOM 1731 CG GLU A 113 -1.183 11.260 -8.905 1.00 0.00 C ATOM 1732 CD GLU A 113 -2.133 11.353 -10.105 1.00 0.00 C ATOM 1733 OE1 GLU A 113 -2.481 10.282 -10.652 1.00 0.00 O ATOM 1734 OE2 GLU A 113 -2.587 12.474 -10.443 1.00 0.00 O ATOM 0 H GLU A 113 1.246 12.178 -7.849 1.00 0.00 H new ATOM 0 HA GLU A 113 2.069 10.831 -10.140 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.086 9.742 -9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 113 0.494 10.021 -8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.686 10.745 -8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.948 12.265 -8.553 1.00 0.00 H new ATOM 1741 N GLY A 114 0.706 11.526 -12.183 1.00 0.00 N ATOM 1742 CA GLY A 114 0.118 12.078 -13.389 1.00 0.00 C ATOM 1743 C GLY A 114 0.690 11.400 -14.614 1.00 0.00 C ATOM 1744 O GLY A 114 0.478 10.175 -14.761 1.00 0.00 O ATOM 0 H GLY A 114 1.064 10.577 -12.293 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.964 11.948 -13.366 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.309 13.150 -13.436 1.00 0.00 H new TER 1748 GLY A 114