USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 586 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 NoAdj : A 22 ASNHD21 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 22 ASNHD22 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD21 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD22 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Set 1.1: A 70 TYR OH : rot -63:sc= 0.804 USER MOD Set 1.2: A 85 SER OG : rot 100:sc= -0.802! USER MOD Single : A 3 THR OG1 : rot -26:sc= 0.551 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 110:sc= -3.46! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -2.3! USER MOD Single : A 37 SER OG : rot 115:sc= -5.36! USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.91! C(o=-1.9!,f=-0.88!) USER MOD Single : A 46 MET CE :methyl -114:sc= 0 (180deg=-0.0247) USER MOD Single : A 52 GLN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -9.29! C(o=-9.3!,f=-13!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0829! USER MOD Single : A 78 HIS : no HD1:sc= -3.9! C(o=-3.9!,f=-4.7!) USER MOD Single : A 79 GLN : amide:sc= -0.833 K(o=-0.83,f=-0.14) USER MOD Single : A 81 SER OG : rot 63:sc= -0.129 USER MOD Single : A 83 ASN : amide:sc= 0.215 K(o=0.21,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 -5.903 26.639 -13.925 1.00 0.00 N ATOM 2 CA THR A 3 -6.228 25.263 -13.577 1.00 0.00 C ATOM 3 C THR A 3 -5.018 24.351 -13.751 1.00 0.00 C ATOM 4 O THR A 3 -5.053 23.398 -14.530 1.00 0.00 O ATOM 5 CB THR A 3 -7.389 24.724 -14.434 1.00 0.00 C ATOM 6 OG1 THR A 3 -7.389 25.364 -15.716 1.00 0.00 O ATOM 7 CG2 THR A 3 -8.724 24.957 -13.746 1.00 0.00 C ATOM 0 HA THR A 3 -6.531 25.266 -12.530 1.00 0.00 H new ATOM 0 HB THR A 3 -7.248 23.651 -14.563 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.964 26.244 -15.642 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.528 24.568 -14.371 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.732 24.445 -12.784 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.871 26.026 -13.589 1.00 0.00 H new ATOM 15 N ASP A 4 -3.949 24.648 -13.020 1.00 0.00 N ATOM 16 CA ASP A 4 -2.729 23.853 -13.094 1.00 0.00 C ATOM 17 C ASP A 4 -1.652 24.424 -12.176 1.00 0.00 C ATOM 18 O ASP A 4 -0.793 25.193 -12.610 1.00 0.00 O ATOM 19 CB ASP A 4 -2.214 23.805 -14.533 1.00 0.00 C ATOM 20 CG ASP A 4 -1.025 22.875 -14.691 1.00 0.00 C ATOM 21 OD1 ASP A 4 -1.156 21.682 -14.342 1.00 0.00 O ATOM 22 OD2 ASP A 4 0.034 23.339 -15.161 1.00 0.00 O ATOM 0 H ASP A 4 -3.903 25.433 -12.370 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.964 22.841 -12.765 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.018 23.478 -15.193 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.931 24.809 -14.848 1.00 0.00 H new ATOM 27 N ILE A 5 -1.703 24.041 -10.905 1.00 0.00 N ATOM 28 CA ILE A 5 -0.734 24.509 -9.923 1.00 0.00 C ATOM 29 C ILE A 5 0.221 23.383 -9.532 1.00 0.00 C ATOM 30 O ILE A 5 -0.130 22.206 -9.614 1.00 0.00 O ATOM 31 CB ILE A 5 -1.444 25.053 -8.664 1.00 0.00 C ATOM 32 CG1 ILE A 5 -0.480 25.125 -7.477 1.00 0.00 C ATOM 33 CG2 ILE A 5 -2.646 24.186 -8.320 1.00 0.00 C ATOM 34 CD1 ILE A 5 -0.316 23.805 -6.760 1.00 0.00 C ATOM 0 H ILE A 5 -2.408 23.406 -10.531 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.162 25.318 -10.378 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.790 26.064 -8.879 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.495 25.463 -7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.840 25.872 -6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.137 24.581 -7.431 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.348 24.190 -9.154 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.315 23.165 -8.129 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.380 23.926 -5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.282 23.476 -6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.073 23.060 -7.454 1.00 0.00 H new ATOM 46 N ASP A 6 1.428 23.747 -9.114 1.00 0.00 N ATOM 47 CA ASP A 6 2.427 22.760 -8.719 1.00 0.00 C ATOM 48 C ASP A 6 1.940 21.932 -7.535 1.00 0.00 C ATOM 49 O ASP A 6 2.262 22.225 -6.383 1.00 0.00 O ATOM 50 CB ASP A 6 3.748 23.442 -8.366 1.00 0.00 C ATOM 51 CG ASP A 6 4.904 22.463 -8.330 1.00 0.00 C ATOM 52 OD1 ASP A 6 4.657 21.261 -8.097 1.00 0.00 O ATOM 53 OD2 ASP A 6 6.058 22.899 -8.533 1.00 0.00 O ATOM 0 H ASP A 6 1.738 24.716 -9.040 1.00 0.00 H new ATOM 0 HA ASP A 6 2.588 22.093 -9.566 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.958 24.224 -9.096 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.656 23.929 -7.395 1.00 0.00 H new ATOM 58 N GLU A 7 1.166 20.894 -7.829 1.00 0.00 N ATOM 59 CA GLU A 7 0.633 20.017 -6.793 1.00 0.00 C ATOM 60 C GLU A 7 1.740 19.161 -6.183 1.00 0.00 C ATOM 61 O GLU A 7 1.542 18.515 -5.156 1.00 0.00 O ATOM 62 CB GLU A 7 -0.452 19.112 -7.380 1.00 0.00 C ATOM 63 CG GLU A 7 -1.614 19.869 -8.009 1.00 0.00 C ATOM 64 CD GLU A 7 -1.466 20.021 -9.511 1.00 0.00 C ATOM 65 OE1 GLU A 7 -0.587 19.351 -10.091 1.00 0.00 O ATOM 66 OE2 GLU A 7 -2.232 20.808 -10.106 1.00 0.00 O ATOM 0 H GLU A 7 0.893 20.639 -8.778 1.00 0.00 H new ATOM 0 HA GLU A 7 0.202 20.639 -6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.003 18.465 -8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.837 18.465 -6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.545 19.345 -7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.689 20.856 -7.553 1.00 0.00 H new ATOM 73 N CYS A 8 2.904 19.158 -6.826 1.00 0.00 N ATOM 74 CA CYS A 8 4.042 18.378 -6.347 1.00 0.00 C ATOM 75 C CYS A 8 4.800 19.140 -5.266 1.00 0.00 C ATOM 76 O CYS A 8 5.191 18.569 -4.248 1.00 0.00 O ATOM 77 CB CYS A 8 4.980 18.046 -7.509 1.00 0.00 C ATOM 78 SG CYS A 8 6.012 16.563 -7.258 1.00 0.00 S ATOM 0 H CYS A 8 3.085 19.686 -7.680 1.00 0.00 H new ATOM 0 HA CYS A 8 3.666 17.450 -5.917 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.384 17.908 -8.411 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.633 18.900 -7.686 1.00 0.00 H new ATOM 83 N ARG A 9 5.004 20.433 -5.496 1.00 0.00 N ATOM 84 CA ARG A 9 5.715 21.275 -4.541 1.00 0.00 C ATOM 85 C ARG A 9 4.904 21.443 -3.261 1.00 0.00 C ATOM 86 O ARG A 9 5.457 21.723 -2.198 1.00 0.00 O ATOM 87 CB ARG A 9 6.010 22.644 -5.155 1.00 0.00 C ATOM 88 CG ARG A 9 7.397 23.172 -4.827 1.00 0.00 C ATOM 89 CD ARG A 9 7.510 23.567 -3.363 1.00 0.00 C ATOM 90 NE ARG A 9 8.662 24.429 -3.116 1.00 0.00 N ATOM 91 CZ ARG A 9 9.921 24.007 -3.172 1.00 0.00 C ATOM 92 NH1 ARG A 9 10.187 22.742 -3.464 1.00 0.00 N ATOM 93 NH2 ARG A 9 10.917 24.851 -2.935 1.00 0.00 N ATOM 0 H ARG A 9 4.687 20.920 -6.334 1.00 0.00 H new ATOM 0 HA ARG A 9 6.658 20.787 -4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.902 22.578 -6.238 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.266 23.359 -4.803 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.142 22.410 -5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.617 24.035 -5.456 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.600 24.082 -3.055 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.591 22.669 -2.751 1.00 0.00 H new ATOM 0 HE ARG A 9 8.491 25.408 -2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.425 22.090 -3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.154 22.421 -3.506 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.717 25.825 -2.709 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.883 24.525 -2.978 1.00 0.00 H new ATOM 107 N ILE A 10 3.591 21.266 -3.369 1.00 0.00 N ATOM 108 CA ILE A 10 2.710 21.394 -2.217 1.00 0.00 C ATOM 109 C ILE A 10 3.319 20.714 -0.998 1.00 0.00 C ATOM 110 O ILE A 10 3.226 21.218 0.121 1.00 0.00 O ATOM 111 CB ILE A 10 1.327 20.777 -2.504 1.00 0.00 C ATOM 112 CG1 ILE A 10 0.542 21.666 -3.469 1.00 0.00 C ATOM 113 CG2 ILE A 10 0.550 20.568 -1.212 1.00 0.00 C ATOM 114 CD1 ILE A 10 0.000 22.924 -2.827 1.00 0.00 C ATOM 0 H ILE A 10 3.116 21.034 -4.241 1.00 0.00 H new ATOM 0 HA ILE A 10 2.587 22.458 -2.015 1.00 0.00 H new ATOM 0 HB ILE A 10 1.473 19.803 -2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.188 21.942 -4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.287 21.094 -3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.423 20.132 -1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.106 19.896 -0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.410 21.527 -0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.545 23.506 -3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.672 22.656 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.826 23.518 -2.436 1.00 0.00 H new ATOM 126 N SER A 11 3.937 19.563 -1.226 1.00 0.00 N ATOM 127 CA SER A 11 4.557 18.806 -0.151 1.00 0.00 C ATOM 128 C SER A 11 5.510 17.752 -0.708 1.00 0.00 C ATOM 129 O SER A 11 5.216 17.109 -1.716 1.00 0.00 O ATOM 130 CB SER A 11 3.480 18.136 0.699 1.00 0.00 C ATOM 131 OG SER A 11 3.637 18.458 2.071 1.00 0.00 O ATOM 0 H SER A 11 4.021 19.134 -2.148 1.00 0.00 H new ATOM 0 HA SER A 11 5.131 19.495 0.469 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.494 18.453 0.359 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.530 17.055 0.568 1.00 0.00 H new ATOM 0 HG SER A 11 2.934 18.018 2.593 1.00 0.00 H new ATOM 137 N PRO A 12 6.665 17.551 -0.052 1.00 0.00 N ATOM 138 CA PRO A 12 7.654 16.565 -0.479 1.00 0.00 C ATOM 139 C PRO A 12 7.209 15.150 -0.140 1.00 0.00 C ATOM 140 O PRO A 12 7.710 14.175 -0.701 1.00 0.00 O ATOM 141 CB PRO A 12 8.914 16.927 0.317 1.00 0.00 C ATOM 142 CG PRO A 12 8.592 18.185 1.061 1.00 0.00 C ATOM 143 CD PRO A 12 7.096 18.254 1.158 1.00 0.00 C ATOM 0 HA PRO A 12 7.809 16.585 -1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.183 16.126 1.005 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.765 17.075 -0.348 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.045 18.176 2.053 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.987 19.056 0.539 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.726 17.770 2.062 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.738 19.283 1.178 1.00 0.00 H new ATOM 151 N ASP A 13 6.257 15.052 0.780 1.00 0.00 N ATOM 152 CA ASP A 13 5.725 13.764 1.201 1.00 0.00 C ATOM 153 C ASP A 13 4.249 13.663 0.847 1.00 0.00 C ATOM 154 O ASP A 13 3.511 12.868 1.427 1.00 0.00 O ATOM 155 CB ASP A 13 5.918 13.574 2.707 1.00 0.00 C ATOM 156 CG ASP A 13 6.100 14.888 3.439 1.00 0.00 C ATOM 157 OD1 ASP A 13 7.231 15.419 3.434 1.00 0.00 O ATOM 158 OD2 ASP A 13 5.113 15.387 4.018 1.00 0.00 O ATOM 0 H ASP A 13 5.837 15.854 1.250 1.00 0.00 H new ATOM 0 HA ASP A 13 6.268 12.977 0.677 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.055 13.050 3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.788 12.941 2.882 1.00 0.00 H new ATOM 163 N LEU A 14 3.827 14.484 -0.108 1.00 0.00 N ATOM 164 CA LEU A 14 2.436 14.498 -0.545 1.00 0.00 C ATOM 165 C LEU A 14 1.844 13.094 -0.553 1.00 0.00 C ATOM 166 O LEU A 14 0.884 12.810 0.162 1.00 0.00 O ATOM 167 CB LEU A 14 2.323 15.116 -1.941 1.00 0.00 C ATOM 168 CG LEU A 14 1.268 16.215 -2.079 1.00 0.00 C ATOM 169 CD1 LEU A 14 1.822 17.389 -2.866 1.00 0.00 C ATOM 170 CD2 LEU A 14 0.015 15.674 -2.750 1.00 0.00 C ATOM 0 H LEU A 14 4.428 15.149 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 14 1.871 15.104 0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.293 15.528 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.096 14.324 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 14 1.003 16.561 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.058 18.161 -2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.691 17.796 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.116 17.054 -3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.723 16.471 -2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.266 15.300 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.397 14.863 -2.150 1.00 0.00 H new ATOM 182 N CYS A 15 2.418 12.222 -1.372 1.00 0.00 N ATOM 183 CA CYS A 15 1.944 10.846 -1.485 1.00 0.00 C ATOM 184 C CYS A 15 2.468 9.981 -0.341 1.00 0.00 C ATOM 185 O CYS A 15 2.286 8.766 -0.338 1.00 0.00 O ATOM 186 CB CYS A 15 2.367 10.252 -2.828 1.00 0.00 C ATOM 187 SG CYS A 15 0.974 9.873 -3.939 1.00 0.00 S ATOM 0 H CYS A 15 3.215 12.443 -1.970 1.00 0.00 H new ATOM 0 HA CYS A 15 0.856 10.860 -1.425 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.038 10.951 -3.328 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.934 9.339 -2.648 1.00 0.00 H new ATOM 192 N GLY A 16 3.110 10.615 0.628 1.00 0.00 N ATOM 193 CA GLY A 16 3.642 9.895 1.766 1.00 0.00 C ATOM 194 C GLY A 16 4.951 9.193 1.462 1.00 0.00 C ATOM 195 O GLY A 16 5.896 9.260 2.249 1.00 0.00 O ATOM 0 H GLY A 16 3.273 11.622 0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.792 10.591 2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.910 9.159 2.098 1.00 0.00 H new ATOM 199 N ARG A 17 5.005 8.508 0.325 1.00 0.00 N ATOM 200 CA ARG A 17 6.203 7.782 -0.071 1.00 0.00 C ATOM 201 C ARG A 17 6.533 8.029 -1.540 1.00 0.00 C ATOM 202 O ARG A 17 7.680 8.298 -1.893 1.00 0.00 O ATOM 203 CB ARG A 17 6.001 6.289 0.170 1.00 0.00 C ATOM 204 CG ARG A 17 7.225 5.449 -0.150 1.00 0.00 C ATOM 205 CD ARG A 17 7.909 4.960 1.116 1.00 0.00 C ATOM 206 NE ARG A 17 8.524 3.649 0.935 1.00 0.00 N ATOM 207 CZ ARG A 17 9.577 3.226 1.628 1.00 0.00 C ATOM 208 NH1 ARG A 17 10.126 4.008 2.548 1.00 0.00 N ATOM 209 NH2 ARG A 17 10.081 2.021 1.403 1.00 0.00 N ATOM 0 H ARG A 17 4.232 8.441 -0.338 1.00 0.00 H new ATOM 0 HA ARG A 17 7.038 8.141 0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.726 6.132 1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.164 5.942 -0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.932 4.595 -0.760 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.927 6.037 -0.741 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.671 5.679 1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.180 4.910 1.925 1.00 0.00 H new ATOM 0 HE ARG A 17 8.123 3.022 0.237 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.740 4.936 2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.934 3.682 3.079 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.661 1.416 0.697 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.889 1.698 1.936 1.00 0.00 H new ATOM 223 N GLY A 18 5.517 7.928 -2.390 1.00 0.00 N ATOM 224 CA GLY A 18 5.713 8.134 -3.811 1.00 0.00 C ATOM 225 C GLY A 18 6.255 9.511 -4.136 1.00 0.00 C ATOM 226 O GLY A 18 6.526 10.310 -3.241 1.00 0.00 O ATOM 0 H GLY A 18 4.559 7.706 -2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.401 7.379 -4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.764 7.991 -4.328 1.00 0.00 H new ATOM 230 N GLN A 19 6.411 9.782 -5.426 1.00 0.00 N ATOM 231 CA GLN A 19 6.920 11.066 -5.886 1.00 0.00 C ATOM 232 C GLN A 19 5.815 11.863 -6.570 1.00 0.00 C ATOM 233 O GLN A 19 5.456 11.588 -7.714 1.00 0.00 O ATOM 234 CB GLN A 19 8.083 10.849 -6.852 1.00 0.00 C ATOM 235 CG GLN A 19 8.945 9.648 -6.498 1.00 0.00 C ATOM 236 CD GLN A 19 10.421 9.986 -6.437 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.920 10.458 -5.416 1.00 0.00 O ATOM 238 NE2 GLN A 19 11.128 9.743 -7.535 1.00 0.00 N ATOM 0 H GLN A 19 6.191 9.125 -6.175 1.00 0.00 H new ATOM 0 HA GLN A 19 7.273 11.631 -5.023 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.689 10.720 -7.860 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.706 11.743 -6.865 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.628 9.249 -5.535 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.787 8.862 -7.236 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.672 9.351 -8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.127 9.949 -7.554 1.00 0.00 H new ATOM 247 N CYS A 20 5.270 12.844 -5.858 1.00 0.00 N ATOM 248 CA CYS A 20 4.195 13.666 -6.400 1.00 0.00 C ATOM 249 C CYS A 20 4.438 14.002 -7.867 1.00 0.00 C ATOM 250 O CYS A 20 5.578 14.095 -8.320 1.00 0.00 O ATOM 251 CB CYS A 20 4.033 14.956 -5.588 1.00 0.00 C ATOM 252 SG CYS A 20 5.564 15.926 -5.381 1.00 0.00 S ATOM 0 H CYS A 20 5.554 13.088 -4.909 1.00 0.00 H new ATOM 0 HA CYS A 20 3.275 13.086 -6.329 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.285 15.583 -6.073 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.644 14.702 -4.602 1.00 0.00 H new ATOM 257 N VAL A 21 3.346 14.190 -8.597 1.00 0.00 N ATOM 258 CA VAL A 21 3.410 14.533 -10.012 1.00 0.00 C ATOM 259 C VAL A 21 2.516 15.735 -10.292 1.00 0.00 C ATOM 260 O VAL A 21 1.673 16.085 -9.471 1.00 0.00 O ATOM 261 CB VAL A 21 2.977 13.352 -10.903 1.00 0.00 C ATOM 262 CG1 VAL A 21 2.620 13.829 -12.305 1.00 0.00 C ATOM 263 CG2 VAL A 21 4.074 12.298 -10.956 1.00 0.00 C ATOM 0 H VAL A 21 2.398 14.110 -8.229 1.00 0.00 H new ATOM 0 HA VAL A 21 4.446 14.775 -10.250 1.00 0.00 H new ATOM 0 HB VAL A 21 2.086 12.903 -10.465 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.318 12.977 -12.913 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.799 14.543 -12.248 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.488 14.309 -12.758 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.753 11.471 -11.589 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.982 12.739 -11.367 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.273 11.929 -9.950 1.00 0.00 H new ATOM 273 N ASN A 22 2.704 16.364 -11.445 1.00 0.00 N ATOM 274 CA ASN A 22 1.908 17.531 -11.806 1.00 0.00 C ATOM 275 C ASN A 22 1.017 17.255 -13.012 1.00 0.00 C ATOM 276 O ASN A 22 1.438 16.618 -13.979 1.00 0.00 O ATOM 277 CB ASN A 22 2.818 18.722 -12.103 1.00 0.00 C ATOM 278 CG ASN A 22 2.079 20.039 -12.001 1.00 0.00 C ATOM 279 OD1 ASN A 22 1.759 20.665 -13.011 1.00 0.00 O ATOM 280 ND2 ASN A 22 1.804 20.465 -10.776 1.00 0.00 N ATOM 0 H ASN A 22 3.396 16.089 -12.142 1.00 0.00 H new ATOM 0 HA ASN A 22 1.266 17.764 -10.956 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.656 18.721 -11.405 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.237 18.618 -13.104 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.307 21.346 -10.642 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.089 19.912 -9.968 1.00 0.00 H new ATOM 287 N THR A 23 -0.217 17.749 -12.949 1.00 0.00 N ATOM 288 CA THR A 23 -1.172 17.570 -14.034 1.00 0.00 C ATOM 289 C THR A 23 -2.125 18.759 -14.113 1.00 0.00 C ATOM 290 O THR A 23 -2.318 19.477 -13.132 1.00 0.00 O ATOM 291 CB THR A 23 -1.992 16.279 -13.858 1.00 0.00 C ATOM 292 OG1 THR A 23 -3.142 16.534 -13.043 1.00 0.00 O ATOM 293 CG2 THR A 23 -1.147 15.185 -13.221 1.00 0.00 C ATOM 0 H THR A 23 -0.578 18.278 -12.155 1.00 0.00 H new ATOM 0 HA THR A 23 -0.598 17.497 -14.958 1.00 0.00 H new ATOM 0 HB THR A 23 -2.314 15.943 -14.844 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.951 16.486 -13.594 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.747 14.282 -13.106 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.288 14.972 -13.857 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.800 15.517 -12.242 1.00 0.00 H new ATOM 301 N PRO A 24 -2.736 18.979 -15.287 1.00 0.00 N ATOM 302 CA PRO A 24 -3.677 20.085 -15.493 1.00 0.00 C ATOM 303 C PRO A 24 -4.863 20.002 -14.541 1.00 0.00 C ATOM 304 O PRO A 24 -5.592 19.010 -14.530 1.00 0.00 O ATOM 305 CB PRO A 24 -4.140 19.908 -16.946 1.00 0.00 C ATOM 306 CG PRO A 24 -3.787 18.503 -17.302 1.00 0.00 C ATOM 307 CD PRO A 24 -2.563 18.169 -16.500 1.00 0.00 C ATOM 0 HA PRO A 24 -3.217 21.055 -15.303 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.212 20.081 -17.041 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.643 20.618 -17.607 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.606 17.823 -17.066 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.592 18.408 -18.370 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.508 17.105 -16.271 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.648 18.428 -17.032 1.00 0.00 H new ATOM 315 N GLY A 25 -5.048 21.041 -13.733 1.00 0.00 N ATOM 316 CA GLY A 25 -6.144 21.047 -12.784 1.00 0.00 C ATOM 317 C GLY A 25 -6.232 19.740 -12.025 1.00 0.00 C ATOM 318 O GLY A 25 -7.315 19.181 -11.850 1.00 0.00 O ATOM 0 H GLY A 25 -4.461 21.875 -13.719 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.012 21.869 -12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.081 21.226 -13.311 1.00 0.00 H new ATOM 322 N ASP A 26 -5.080 19.249 -11.583 1.00 0.00 N ATOM 323 CA ASP A 26 -5.007 17.995 -10.848 1.00 0.00 C ATOM 324 C ASP A 26 -3.559 17.543 -10.714 1.00 0.00 C ATOM 325 O ASP A 26 -2.641 18.219 -11.186 1.00 0.00 O ATOM 326 CB ASP A 26 -5.828 16.918 -11.553 1.00 0.00 C ATOM 327 CG ASP A 26 -6.960 16.394 -10.691 1.00 0.00 C ATOM 328 OD1 ASP A 26 -6.677 15.882 -9.587 1.00 0.00 O ATOM 329 OD2 ASP A 26 -8.128 16.496 -11.119 1.00 0.00 O ATOM 0 H ASP A 26 -4.179 19.705 -11.723 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.419 18.154 -9.851 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.238 17.325 -12.477 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.174 16.091 -11.831 1.00 0.00 H new ATOM 334 N PHE A 27 -3.349 16.402 -10.065 1.00 0.00 N ATOM 335 CA PHE A 27 -2.003 15.888 -9.875 1.00 0.00 C ATOM 336 C PHE A 27 -2.005 14.422 -9.469 1.00 0.00 C ATOM 337 O PHE A 27 -3.056 13.789 -9.368 1.00 0.00 O ATOM 338 CB PHE A 27 -1.287 16.712 -8.812 1.00 0.00 C ATOM 339 CG PHE A 27 -1.707 16.385 -7.408 1.00 0.00 C ATOM 340 CD1 PHE A 27 -2.858 16.936 -6.869 1.00 0.00 C ATOM 341 CD2 PHE A 27 -0.948 15.530 -6.627 1.00 0.00 C ATOM 342 CE1 PHE A 27 -3.244 16.639 -5.577 1.00 0.00 C ATOM 343 CE2 PHE A 27 -1.329 15.230 -5.333 1.00 0.00 C ATOM 344 CZ PHE A 27 -2.479 15.785 -4.807 1.00 0.00 C ATOM 0 H PHE A 27 -4.088 15.823 -9.666 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.480 15.967 -10.828 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.213 16.555 -8.906 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.472 17.770 -9.000 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.460 17.605 -7.466 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.048 15.093 -7.034 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.144 17.074 -5.169 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.728 14.562 -4.734 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.779 15.552 -3.796 1.00 0.00 H new ATOM 354 N GLU A 28 -0.809 13.897 -9.231 1.00 0.00 N ATOM 355 CA GLU A 28 -0.639 12.510 -8.825 1.00 0.00 C ATOM 356 C GLU A 28 0.747 12.314 -8.218 1.00 0.00 C ATOM 357 O GLU A 28 1.285 13.227 -7.592 1.00 0.00 O ATOM 358 CB GLU A 28 -0.848 11.574 -10.019 1.00 0.00 C ATOM 359 CG GLU A 28 0.190 11.741 -11.116 1.00 0.00 C ATOM 360 CD GLU A 28 -0.204 11.044 -12.403 1.00 0.00 C ATOM 361 OE1 GLU A 28 -1.383 11.158 -12.803 1.00 0.00 O ATOM 362 OE2 GLU A 28 0.665 10.384 -13.011 1.00 0.00 O ATOM 0 H GLU A 28 0.064 14.418 -9.314 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.387 12.266 -8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.830 10.542 -9.668 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.838 11.750 -10.438 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.337 12.803 -11.313 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.145 11.345 -10.771 1.00 0.00 H new ATOM 369 N CYS A 29 1.328 11.134 -8.397 1.00 0.00 N ATOM 370 CA CYS A 29 2.651 10.861 -7.851 1.00 0.00 C ATOM 371 C CYS A 29 3.212 9.545 -8.373 1.00 0.00 C ATOM 372 O CYS A 29 2.596 8.872 -9.199 1.00 0.00 O ATOM 373 CB CYS A 29 2.590 10.822 -6.326 1.00 0.00 C ATOM 374 SG CYS A 29 1.873 9.286 -5.660 1.00 0.00 S ATOM 0 H CYS A 29 0.909 10.358 -8.910 1.00 0.00 H new ATOM 0 HA CYS A 29 3.314 11.664 -8.173 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.597 10.945 -5.928 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.002 11.669 -5.973 1.00 0.00 H new ATOM 379 N LYS A 30 4.390 9.185 -7.874 1.00 0.00 N ATOM 380 CA LYS A 30 5.052 7.950 -8.272 1.00 0.00 C ATOM 381 C LYS A 30 5.308 7.059 -7.059 1.00 0.00 C ATOM 382 O LYS A 30 6.442 6.931 -6.597 1.00 0.00 O ATOM 383 CB LYS A 30 6.373 8.260 -8.978 1.00 0.00 C ATOM 384 CG LYS A 30 6.522 7.566 -10.322 1.00 0.00 C ATOM 385 CD LYS A 30 6.433 6.055 -10.181 1.00 0.00 C ATOM 386 CE LYS A 30 6.516 5.364 -11.532 1.00 0.00 C ATOM 387 NZ LYS A 30 7.594 4.338 -11.566 1.00 0.00 N ATOM 0 H LYS A 30 4.908 9.736 -7.189 1.00 0.00 H new ATOM 0 HA LYS A 30 4.396 7.419 -8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.453 9.337 -9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.199 7.963 -8.332 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.745 7.916 -11.001 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.480 7.835 -10.768 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.240 5.700 -9.539 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.496 5.789 -9.692 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.559 4.893 -11.758 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.697 6.107 -12.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.617 3.890 -12.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.511 4.791 -11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.408 3.615 -10.842 1.00 0.00 H new ATOM 401 N CYS A 31 4.242 6.452 -6.545 1.00 0.00 N ATOM 402 CA CYS A 31 4.343 5.577 -5.380 1.00 0.00 C ATOM 403 C CYS A 31 5.587 4.699 -5.450 1.00 0.00 C ATOM 404 O CYS A 31 6.243 4.609 -6.488 1.00 0.00 O ATOM 405 CB CYS A 31 3.093 4.701 -5.261 1.00 0.00 C ATOM 406 SG CYS A 31 1.597 5.597 -4.718 1.00 0.00 S ATOM 0 H CYS A 31 3.297 6.550 -6.917 1.00 0.00 H new ATOM 0 HA CYS A 31 4.423 6.210 -4.497 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.894 4.238 -6.228 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.295 3.894 -4.557 1.00 0.00 H new ATOM 411 N ASP A 32 5.908 4.057 -4.330 1.00 0.00 N ATOM 412 CA ASP A 32 7.076 3.188 -4.245 1.00 0.00 C ATOM 413 C ASP A 32 6.982 2.034 -5.243 1.00 0.00 C ATOM 414 O ASP A 32 7.285 2.200 -6.425 1.00 0.00 O ATOM 415 CB ASP A 32 7.229 2.651 -2.821 1.00 0.00 C ATOM 416 CG ASP A 32 8.370 1.662 -2.694 1.00 0.00 C ATOM 417 OD1 ASP A 32 9.393 1.843 -3.388 1.00 0.00 O ATOM 418 OD2 ASP A 32 8.243 0.706 -1.900 1.00 0.00 O ATOM 0 H ASP A 32 5.372 4.124 -3.465 1.00 0.00 H new ATOM 0 HA ASP A 32 7.957 3.777 -4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.396 3.484 -2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.300 2.170 -2.516 1.00 0.00 H new ATOM 423 N GLU A 33 6.564 0.862 -4.765 1.00 0.00 N ATOM 424 CA GLU A 33 6.442 -0.311 -5.624 1.00 0.00 C ATOM 425 C GLU A 33 5.076 -0.974 -5.467 1.00 0.00 C ATOM 426 O GLU A 33 4.539 -1.540 -6.419 1.00 0.00 O ATOM 427 CB GLU A 33 7.547 -1.319 -5.305 1.00 0.00 C ATOM 428 CG GLU A 33 8.873 -0.671 -4.938 1.00 0.00 C ATOM 429 CD GLU A 33 9.931 -0.864 -6.006 1.00 0.00 C ATOM 430 OE1 GLU A 33 9.743 -0.350 -7.128 1.00 0.00 O ATOM 431 OE2 GLU A 33 10.949 -1.531 -5.719 1.00 0.00 O ATOM 0 H GLU A 33 6.306 0.702 -3.791 1.00 0.00 H new ATOM 0 HA GLU A 33 6.544 0.021 -6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.222 -1.954 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.696 -1.968 -6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.719 0.395 -4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.230 -1.091 -3.998 1.00 0.00 H new ATOM 438 N GLY A 34 4.515 -0.895 -4.266 1.00 0.00 N ATOM 439 CA GLY A 34 3.220 -1.484 -4.011 1.00 0.00 C ATOM 440 C GLY A 34 2.327 -0.544 -3.235 1.00 0.00 C ATOM 441 O GLY A 34 1.306 -0.953 -2.693 1.00 0.00 O ATOM 0 H GLY A 34 4.939 -0.431 -3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.744 -1.742 -4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.345 -2.412 -3.453 1.00 0.00 H new ATOM 445 N TYR A 35 2.723 0.722 -3.185 1.00 0.00 N ATOM 446 CA TYR A 35 1.959 1.737 -2.477 1.00 0.00 C ATOM 447 C TYR A 35 0.958 2.394 -3.421 1.00 0.00 C ATOM 448 O TYR A 35 1.328 2.881 -4.488 1.00 0.00 O ATOM 449 CB TYR A 35 2.897 2.795 -1.888 1.00 0.00 C ATOM 450 CG TYR A 35 3.840 2.263 -0.826 1.00 0.00 C ATOM 451 CD1 TYR A 35 4.627 1.139 -1.057 1.00 0.00 C ATOM 452 CD2 TYR A 35 3.943 2.890 0.410 1.00 0.00 C ATOM 453 CE1 TYR A 35 5.487 0.657 -0.085 1.00 0.00 C ATOM 454 CE2 TYR A 35 4.801 2.415 1.384 1.00 0.00 C ATOM 455 CZ TYR A 35 5.569 1.299 1.132 1.00 0.00 C ATOM 456 OH TYR A 35 6.423 0.822 2.100 1.00 0.00 O ATOM 0 H TYR A 35 3.573 1.070 -3.629 1.00 0.00 H new ATOM 0 HA TYR A 35 1.416 1.258 -1.662 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.485 3.233 -2.694 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.298 3.598 -1.458 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.566 0.634 -2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.342 3.764 0.613 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.090 -0.217 -0.279 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.869 2.916 2.338 1.00 0.00 H new ATOM 0 HH TYR A 35 6.362 1.388 2.898 1.00 0.00 H new ATOM 466 N GLU A 36 -0.311 2.395 -3.029 1.00 0.00 N ATOM 467 CA GLU A 36 -1.358 2.985 -3.854 1.00 0.00 C ATOM 468 C GLU A 36 -1.545 4.464 -3.521 1.00 0.00 C ATOM 469 O GLU A 36 -1.659 4.840 -2.355 1.00 0.00 O ATOM 470 CB GLU A 36 -2.670 2.206 -3.679 1.00 0.00 C ATOM 471 CG GLU A 36 -3.898 3.069 -3.410 1.00 0.00 C ATOM 472 CD GLU A 36 -4.444 3.713 -4.670 1.00 0.00 C ATOM 473 OE1 GLU A 36 -4.563 3.007 -5.694 1.00 0.00 O ATOM 474 OE2 GLU A 36 -4.751 4.922 -4.634 1.00 0.00 O ATOM 0 H GLU A 36 -0.638 1.996 -2.149 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.057 2.919 -4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.848 1.616 -4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.551 1.502 -2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.675 2.456 -2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.641 3.847 -2.691 1.00 0.00 H new ATOM 481 N SER A 37 -1.583 5.293 -4.558 1.00 0.00 N ATOM 482 CA SER A 37 -1.761 6.724 -4.390 1.00 0.00 C ATOM 483 C SER A 37 -3.230 7.099 -4.541 1.00 0.00 C ATOM 484 O SER A 37 -3.772 7.093 -5.646 1.00 0.00 O ATOM 485 CB SER A 37 -0.915 7.489 -5.409 1.00 0.00 C ATOM 486 OG SER A 37 -1.495 8.745 -5.715 1.00 0.00 O ATOM 0 H SER A 37 -1.492 4.993 -5.529 1.00 0.00 H new ATOM 0 HA SER A 37 -1.433 6.997 -3.387 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.090 7.636 -5.014 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.816 6.899 -6.320 1.00 0.00 H new ATOM 0 HG SER A 37 -0.901 9.463 -5.410 1.00 0.00 H new ATOM 492 N GLY A 38 -3.870 7.414 -3.422 1.00 0.00 N ATOM 493 CA GLY A 38 -5.271 7.773 -3.448 1.00 0.00 C ATOM 494 C GLY A 38 -6.155 6.672 -2.899 1.00 0.00 C ATOM 495 O GLY A 38 -6.812 5.955 -3.654 1.00 0.00 O ATOM 0 H GLY A 38 -3.441 7.427 -2.497 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.422 8.682 -2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.568 7.998 -4.473 1.00 0.00 H new ATOM 499 N PHE A 39 -6.168 6.541 -1.580 1.00 0.00 N ATOM 500 CA PHE A 39 -6.971 5.524 -0.914 1.00 0.00 C ATOM 501 C PHE A 39 -8.135 6.175 -0.186 1.00 0.00 C ATOM 502 O PHE A 39 -9.292 5.799 -0.369 1.00 0.00 O ATOM 503 CB PHE A 39 -6.112 4.736 0.072 1.00 0.00 C ATOM 504 CG PHE A 39 -6.902 3.802 0.943 1.00 0.00 C ATOM 505 CD1 PHE A 39 -7.448 2.640 0.420 1.00 0.00 C ATOM 506 CD2 PHE A 39 -7.100 4.085 2.284 1.00 0.00 C ATOM 507 CE1 PHE A 39 -8.175 1.779 1.219 1.00 0.00 C ATOM 508 CE2 PHE A 39 -7.827 3.229 3.089 1.00 0.00 C ATOM 509 CZ PHE A 39 -8.365 2.074 2.555 1.00 0.00 C ATOM 0 H PHE A 39 -5.628 7.130 -0.946 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.362 4.838 -1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.370 4.162 -0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.566 5.435 0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.303 2.405 -0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.681 4.986 2.706 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.594 0.876 0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.974 3.462 4.133 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.933 1.403 3.181 1.00 0.00 H new ATOM 519 N MET A 40 -7.813 7.174 0.622 1.00 0.00 N ATOM 520 CA MET A 40 -8.812 7.912 1.363 1.00 0.00 C ATOM 521 C MET A 40 -9.129 9.211 0.637 1.00 0.00 C ATOM 522 O MET A 40 -10.002 9.972 1.054 1.00 0.00 O ATOM 523 CB MET A 40 -8.319 8.206 2.782 1.00 0.00 C ATOM 524 CG MET A 40 -7.322 7.185 3.304 1.00 0.00 C ATOM 525 SD MET A 40 -6.460 7.749 4.783 1.00 0.00 S ATOM 526 CE MET A 40 -7.089 6.597 6.001 1.00 0.00 C ATOM 0 H MET A 40 -6.856 7.491 0.779 1.00 0.00 H new ATOM 0 HA MET A 40 -9.717 7.309 1.433 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.858 9.194 2.800 1.00 0.00 H new ATOM 0 HB3 MET A 40 -9.176 8.242 3.455 1.00 0.00 H new ATOM 0 HG2 MET A 40 -7.844 6.254 3.525 1.00 0.00 H new ATOM 0 HG3 MET A 40 -6.592 6.964 2.525 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.647 6.817 6.973 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.173 6.692 6.066 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.830 5.580 5.707 1.00 0.00 H new ATOM 536 N MET A 41 -8.408 9.454 -0.462 1.00 0.00 N ATOM 537 CA MET A 41 -8.605 10.652 -1.261 1.00 0.00 C ATOM 538 C MET A 41 -7.774 11.807 -0.720 1.00 0.00 C ATOM 539 O MET A 41 -8.213 12.957 -0.714 1.00 0.00 O ATOM 540 CB MET A 41 -10.083 11.018 -1.287 1.00 0.00 C ATOM 541 CG MET A 41 -10.985 9.813 -1.483 1.00 0.00 C ATOM 542 SD MET A 41 -11.911 9.881 -3.028 1.00 0.00 S ATOM 543 CE MET A 41 -10.666 9.334 -4.194 1.00 0.00 C ATOM 0 H MET A 41 -7.682 8.830 -0.814 1.00 0.00 H new ATOM 0 HA MET A 41 -8.273 10.451 -2.280 1.00 0.00 H new ATOM 0 HB2 MET A 41 -10.346 11.515 -0.353 1.00 0.00 H new ATOM 0 HB3 MET A 41 -10.261 11.734 -2.090 1.00 0.00 H new ATOM 0 HG2 MET A 41 -10.381 8.906 -1.466 1.00 0.00 H new ATOM 0 HG3 MET A 41 -11.683 9.747 -0.648 1.00 0.00 H new ATOM 0 HE1 MET A 41 -11.088 9.323 -5.199 1.00 0.00 H new ATOM 0 HE2 MET A 41 -9.816 10.016 -4.165 1.00 0.00 H new ATOM 0 HE3 MET A 41 -10.335 8.330 -3.928 1.00 0.00 H new ATOM 553 N MET A 42 -6.565 11.489 -0.270 1.00 0.00 N ATOM 554 CA MET A 42 -5.661 12.495 0.271 1.00 0.00 C ATOM 555 C MET A 42 -4.249 12.313 -0.279 1.00 0.00 C ATOM 556 O MET A 42 -3.318 13.003 0.137 1.00 0.00 O ATOM 557 CB MET A 42 -5.639 12.423 1.799 1.00 0.00 C ATOM 558 CG MET A 42 -6.995 12.114 2.413 1.00 0.00 C ATOM 559 SD MET A 42 -7.332 13.097 3.886 1.00 0.00 S ATOM 560 CE MET A 42 -9.032 12.643 4.215 1.00 0.00 C ATOM 0 H MET A 42 -6.189 10.541 -0.270 1.00 0.00 H new ATOM 0 HA MET A 42 -6.026 13.476 -0.035 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.927 11.658 2.108 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.278 13.373 2.194 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.774 12.297 1.673 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.041 11.056 2.669 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.385 13.172 5.101 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.652 12.912 3.360 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.095 11.568 4.385 1.00 0.00 H new ATOM 570 N LYS A 43 -4.094 11.379 -1.215 1.00 0.00 N ATOM 571 CA LYS A 43 -2.793 11.111 -1.813 1.00 0.00 C ATOM 572 C LYS A 43 -1.749 10.874 -0.731 1.00 0.00 C ATOM 573 O LYS A 43 -1.189 11.819 -0.177 1.00 0.00 O ATOM 574 CB LYS A 43 -2.369 12.278 -2.706 1.00 0.00 C ATOM 575 CG LYS A 43 -1.975 11.860 -4.113 1.00 0.00 C ATOM 576 CD LYS A 43 -2.932 10.822 -4.678 1.00 0.00 C ATOM 577 CE LYS A 43 -2.924 10.825 -6.198 1.00 0.00 C ATOM 578 NZ LYS A 43 -3.970 11.725 -6.758 1.00 0.00 N ATOM 0 H LYS A 43 -4.852 10.798 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.873 10.212 -2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.188 12.994 -2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.528 12.793 -2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.962 12.735 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.963 11.455 -4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.654 9.833 -4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.941 11.022 -4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.944 11.141 -6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.084 9.811 -6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.931 11.698 -7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.908 11.408 -6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.803 12.698 -6.430 1.00 0.00 H new ATOM 592 N ASN A 44 -1.497 9.606 -0.429 1.00 0.00 N ATOM 593 CA ASN A 44 -0.525 9.244 0.592 1.00 0.00 C ATOM 594 C ASN A 44 -0.005 7.824 0.382 1.00 0.00 C ATOM 595 O ASN A 44 0.108 7.060 1.338 1.00 0.00 O ATOM 596 CB ASN A 44 -1.149 9.370 1.983 1.00 0.00 C ATOM 597 CG ASN A 44 -1.984 8.159 2.354 1.00 0.00 C ATOM 598 OD1 ASN A 44 -1.836 7.598 3.440 1.00 0.00 O ATOM 599 ND2 ASN A 44 -2.867 7.747 1.451 1.00 0.00 N ATOM 0 H ASN A 44 -1.953 8.812 -0.878 1.00 0.00 H new ATOM 0 HA ASN A 44 0.318 9.931 0.511 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.359 9.503 2.722 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.773 10.263 2.019 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.455 6.936 1.645 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.957 8.241 0.563 1.00 0.00 H new ATOM 606 N CYS A 45 0.311 7.497 -0.878 1.00 0.00 N ATOM 607 CA CYS A 45 0.830 6.174 -1.262 1.00 0.00 C ATOM 608 C CYS A 45 0.841 5.199 -0.090 1.00 0.00 C ATOM 609 O CYS A 45 1.650 5.329 0.829 1.00 0.00 O ATOM 610 CB CYS A 45 2.243 6.307 -1.834 1.00 0.00 C ATOM 611 SG CYS A 45 2.306 7.053 -3.494 1.00 0.00 S ATOM 0 H CYS A 45 0.214 8.142 -1.662 1.00 0.00 H new ATOM 0 HA CYS A 45 0.160 5.773 -2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.844 6.910 -1.153 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.702 5.319 -1.874 1.00 0.00 H new ATOM 616 N MET A 46 -0.065 4.230 -0.120 1.00 0.00 N ATOM 617 CA MET A 46 -0.159 3.248 0.951 1.00 0.00 C ATOM 618 C MET A 46 -0.200 1.824 0.403 1.00 0.00 C ATOM 619 O MET A 46 -1.177 1.427 -0.233 1.00 0.00 O ATOM 620 CB MET A 46 -1.400 3.520 1.804 1.00 0.00 C ATOM 621 CG MET A 46 -2.700 3.487 1.019 1.00 0.00 C ATOM 622 SD MET A 46 -4.145 3.726 2.069 1.00 0.00 S ATOM 623 CE MET A 46 -4.362 2.075 2.729 1.00 0.00 C ATOM 0 H MET A 46 -0.743 4.104 -0.872 1.00 0.00 H new ATOM 0 HA MET A 46 0.733 3.341 1.571 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.450 2.781 2.603 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.297 4.496 2.278 1.00 0.00 H new ATOM 0 HG2 MET A 46 -2.679 4.263 0.254 1.00 0.00 H new ATOM 0 HG3 MET A 46 -2.784 2.531 0.502 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.298 1.655 2.359 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.531 1.444 2.412 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.389 2.119 3.818 1.00 0.00 H new ATOM 633 N ASP A 47 0.872 1.070 0.658 1.00 0.00 N ATOM 634 CA ASP A 47 0.991 -0.315 0.207 1.00 0.00 C ATOM 635 C ASP A 47 -0.371 -0.941 -0.082 1.00 0.00 C ATOM 636 O ASP A 47 -1.102 -1.332 0.827 1.00 0.00 O ATOM 637 CB ASP A 47 1.744 -1.144 1.252 1.00 0.00 C ATOM 638 CG ASP A 47 0.867 -1.561 2.416 1.00 0.00 C ATOM 639 OD1 ASP A 47 0.765 -0.789 3.391 1.00 0.00 O ATOM 640 OD2 ASP A 47 0.281 -2.663 2.349 1.00 0.00 O ATOM 0 H ASP A 47 1.680 1.404 1.183 1.00 0.00 H new ATOM 0 HA ASP A 47 1.553 -0.311 -0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.155 -2.034 0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.588 -0.566 1.628 1.00 0.00 H new ATOM 645 N ILE A 48 -0.697 -1.030 -1.363 1.00 0.00 N ATOM 646 CA ILE A 48 -1.955 -1.608 -1.805 1.00 0.00 C ATOM 647 C ILE A 48 -2.231 -2.928 -1.097 1.00 0.00 C ATOM 648 O ILE A 48 -1.451 -3.363 -0.251 1.00 0.00 O ATOM 649 CB ILE A 48 -1.932 -1.853 -3.323 1.00 0.00 C ATOM 650 CG1 ILE A 48 -0.559 -2.381 -3.742 1.00 0.00 C ATOM 651 CG2 ILE A 48 -2.271 -0.573 -4.073 1.00 0.00 C ATOM 652 CD1 ILE A 48 -0.630 -3.525 -4.727 1.00 0.00 C ATOM 0 H ILE A 48 -0.098 -0.704 -2.122 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.745 -0.898 -1.559 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.685 -2.600 -3.574 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.016 -1.567 -4.183 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.018 -2.709 -2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.250 -0.764 -5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.266 -0.234 -3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.540 0.197 -3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.379 -3.850 -4.981 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.177 -4.356 -4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.143 -3.196 -5.631 1.00 0.00 H new ATOM 664 N ASP A 49 -3.342 -3.563 -1.450 1.00 0.00 N ATOM 665 CA ASP A 49 -3.709 -4.836 -0.846 1.00 0.00 C ATOM 666 C ASP A 49 -3.499 -5.982 -1.827 1.00 0.00 C ATOM 667 O ASP A 49 -4.460 -6.566 -2.324 1.00 0.00 O ATOM 668 CB ASP A 49 -5.165 -4.817 -0.385 1.00 0.00 C ATOM 669 CG ASP A 49 -5.568 -6.115 0.284 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.831 -7.114 0.133 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.620 -6.136 0.958 1.00 0.00 O ATOM 0 H ASP A 49 -4.001 -3.219 -2.148 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.065 -4.990 0.020 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.314 -3.990 0.309 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.814 -4.635 -1.242 1.00 0.00 H new ATOM 676 N GLU A 50 -2.240 -6.303 -2.101 1.00 0.00 N ATOM 677 CA GLU A 50 -1.917 -7.384 -3.018 1.00 0.00 C ATOM 678 C GLU A 50 -2.709 -8.641 -2.676 1.00 0.00 C ATOM 679 O GLU A 50 -2.953 -9.488 -3.535 1.00 0.00 O ATOM 680 CB GLU A 50 -0.424 -7.692 -2.960 1.00 0.00 C ATOM 681 CG GLU A 50 0.461 -6.531 -3.381 1.00 0.00 C ATOM 682 CD GLU A 50 0.819 -5.622 -2.221 1.00 0.00 C ATOM 683 OE1 GLU A 50 0.795 -6.097 -1.066 1.00 0.00 O ATOM 684 OE2 GLU A 50 1.123 -4.436 -2.466 1.00 0.00 O ATOM 0 H GLU A 50 -1.429 -5.830 -1.701 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.184 -7.065 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.163 -7.985 -1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.214 -8.547 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.375 -6.920 -3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.049 -5.950 -4.150 1.00 0.00 H new ATOM 691 N CYS A 51 -3.111 -8.753 -1.413 1.00 0.00 N ATOM 692 CA CYS A 51 -3.879 -9.907 -0.956 1.00 0.00 C ATOM 693 C CYS A 51 -5.314 -9.835 -1.466 1.00 0.00 C ATOM 694 O CYS A 51 -6.084 -10.786 -1.330 1.00 0.00 O ATOM 695 CB CYS A 51 -3.869 -9.979 0.573 1.00 0.00 C ATOM 696 SG CYS A 51 -4.863 -11.344 1.261 1.00 0.00 S ATOM 0 H CYS A 51 -2.918 -8.060 -0.689 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.414 -10.808 -1.356 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.839 -10.086 0.914 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.241 -9.036 0.973 1.00 0.00 H new ATOM 701 N GLN A 52 -5.663 -8.696 -2.055 1.00 0.00 N ATOM 702 CA GLN A 52 -6.998 -8.482 -2.591 1.00 0.00 C ATOM 703 C GLN A 52 -6.937 -8.247 -4.096 1.00 0.00 C ATOM 704 O GLN A 52 -7.878 -8.560 -4.826 1.00 0.00 O ATOM 705 CB GLN A 52 -7.648 -7.284 -1.901 1.00 0.00 C ATOM 706 CG GLN A 52 -8.461 -7.658 -0.674 1.00 0.00 C ATOM 707 CD GLN A 52 -9.574 -6.671 -0.387 1.00 0.00 C ATOM 708 OE1 GLN A 52 -10.680 -7.056 -0.007 1.00 0.00 O ATOM 709 NE2 GLN A 52 -9.287 -5.386 -0.568 1.00 0.00 N ATOM 0 H GLN A 52 -5.033 -7.903 -2.173 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.597 -9.373 -2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.871 -6.577 -1.610 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.295 -6.772 -2.613 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.889 -8.651 -0.815 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.800 -7.716 0.191 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.357 -5.111 -0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.997 -4.675 -0.391 1.00 0.00 H new ATOM 718 N ARG A 53 -5.817 -7.695 -4.549 1.00 0.00 N ATOM 719 CA ARG A 53 -5.612 -7.412 -5.963 1.00 0.00 C ATOM 720 C ARG A 53 -6.139 -8.550 -6.830 1.00 0.00 C ATOM 721 O ARG A 53 -6.770 -8.318 -7.861 1.00 0.00 O ATOM 722 CB ARG A 53 -4.123 -7.184 -6.238 1.00 0.00 C ATOM 723 CG ARG A 53 -3.751 -7.224 -7.712 1.00 0.00 C ATOM 724 CD ARG A 53 -2.313 -7.678 -7.906 1.00 0.00 C ATOM 725 NE ARG A 53 -1.915 -7.653 -9.311 1.00 0.00 N ATOM 726 CZ ARG A 53 -0.925 -8.387 -9.809 1.00 0.00 C ATOM 727 NH1 ARG A 53 -0.236 -9.197 -9.017 1.00 0.00 N ATOM 728 NH2 ARG A 53 -0.623 -8.310 -11.097 1.00 0.00 N ATOM 0 H ARG A 53 -5.033 -7.433 -3.952 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.167 -6.509 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.832 -6.217 -5.827 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.546 -7.942 -5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.423 -7.900 -8.241 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.885 -6.235 -8.150 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.649 -7.034 -7.330 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.196 -8.688 -7.514 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.425 -7.038 -9.945 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.466 -9.257 -8.025 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.524 -9.760 -9.400 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.151 -7.687 -11.708 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.137 -8.874 -11.477 1.00 0.00 H new ATOM 742 N ASP A 54 -5.876 -9.780 -6.406 1.00 0.00 N ATOM 743 CA ASP A 54 -6.320 -10.954 -7.143 1.00 0.00 C ATOM 744 C ASP A 54 -7.067 -11.921 -6.232 1.00 0.00 C ATOM 745 O ASP A 54 -6.823 -11.976 -5.027 1.00 0.00 O ATOM 746 CB ASP A 54 -5.126 -11.660 -7.786 1.00 0.00 C ATOM 747 CG ASP A 54 -4.834 -11.148 -9.183 1.00 0.00 C ATOM 748 OD1 ASP A 54 -5.419 -10.115 -9.570 1.00 0.00 O ATOM 749 OD2 ASP A 54 -4.018 -11.778 -9.889 1.00 0.00 O ATOM 0 H ASP A 54 -5.356 -9.989 -5.554 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.002 -10.622 -7.926 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.245 -11.521 -7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.321 -12.732 -7.828 1.00 0.00 H new ATOM 754 N PRO A 55 -7.989 -12.701 -6.808 1.00 0.00 N ATOM 755 CA PRO A 55 -8.783 -13.677 -6.073 1.00 0.00 C ATOM 756 C PRO A 55 -8.074 -15.020 -5.955 1.00 0.00 C ATOM 757 O PRO A 55 -8.538 -15.923 -5.259 1.00 0.00 O ATOM 758 CB PRO A 55 -10.037 -13.799 -6.932 1.00 0.00 C ATOM 759 CG PRO A 55 -9.575 -13.538 -8.329 1.00 0.00 C ATOM 760 CD PRO A 55 -8.328 -12.690 -8.239 1.00 0.00 C ATOM 0 HA PRO A 55 -8.978 -13.374 -5.044 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.482 -14.790 -6.842 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.796 -13.079 -6.626 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.366 -14.475 -8.846 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.349 -13.024 -8.900 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.520 -13.103 -8.843 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.508 -11.677 -8.598 1.00 0.00 H new ATOM 768 N LEU A 56 -6.939 -15.139 -6.637 1.00 0.00 N ATOM 769 CA LEU A 56 -6.151 -16.362 -6.610 1.00 0.00 C ATOM 770 C LEU A 56 -4.922 -16.176 -5.729 1.00 0.00 C ATOM 771 O LEU A 56 -4.276 -17.143 -5.326 1.00 0.00 O ATOM 772 CB LEU A 56 -5.726 -16.756 -8.025 1.00 0.00 C ATOM 773 CG LEU A 56 -6.837 -17.346 -8.893 1.00 0.00 C ATOM 774 CD1 LEU A 56 -8.018 -16.394 -8.968 1.00 0.00 C ATOM 775 CD2 LEU A 56 -6.312 -17.661 -10.286 1.00 0.00 C ATOM 0 H LEU A 56 -6.545 -14.398 -7.217 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.766 -17.161 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.324 -15.875 -8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.916 -17.482 -7.956 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.176 -18.275 -8.435 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.799 -16.831 -9.590 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.408 -16.219 -7.965 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.695 -15.448 -9.402 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.116 -18.080 -10.891 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.946 -16.746 -10.752 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.498 -18.382 -10.214 1.00 0.00 H new ATOM 787 N LEU A 57 -4.607 -14.920 -5.433 1.00 0.00 N ATOM 788 CA LEU A 57 -3.461 -14.598 -4.597 1.00 0.00 C ATOM 789 C LEU A 57 -3.498 -15.401 -3.306 1.00 0.00 C ATOM 790 O LEU A 57 -4.396 -15.227 -2.480 1.00 0.00 O ATOM 791 CB LEU A 57 -3.439 -13.103 -4.280 1.00 0.00 C ATOM 792 CG LEU A 57 -2.048 -12.514 -4.058 1.00 0.00 C ATOM 793 CD1 LEU A 57 -1.831 -11.308 -4.959 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.865 -12.135 -2.597 1.00 0.00 C ATOM 0 H LEU A 57 -5.131 -14.109 -5.761 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.555 -14.858 -5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.919 -12.566 -5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.039 -12.927 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.304 -13.268 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.835 -10.901 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.925 -11.611 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.578 -10.547 -4.734 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.869 -11.716 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.614 -11.395 -2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.980 -13.022 -1.974 1.00 0.00 H new ATOM 806 N CYS A 58 -2.527 -16.291 -3.139 1.00 0.00 N ATOM 807 CA CYS A 58 -2.464 -17.126 -1.951 1.00 0.00 C ATOM 808 C CYS A 58 -3.789 -17.849 -1.752 1.00 0.00 C ATOM 809 O CYS A 58 -4.109 -18.302 -0.653 1.00 0.00 O ATOM 810 CB CYS A 58 -2.122 -16.278 -0.725 1.00 0.00 C ATOM 811 SG CYS A 58 -0.475 -15.506 -0.813 1.00 0.00 S ATOM 0 H CYS A 58 -1.776 -16.451 -3.810 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.679 -17.870 -2.082 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.875 -15.498 -0.611 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.174 -16.904 0.166 1.00 0.00 H new ATOM 816 N ARG A 59 -4.551 -17.957 -2.837 1.00 0.00 N ATOM 817 CA ARG A 59 -5.842 -18.627 -2.811 1.00 0.00 C ATOM 818 C ARG A 59 -5.802 -19.837 -1.886 1.00 0.00 C ATOM 819 O ARG A 59 -6.772 -20.135 -1.190 1.00 0.00 O ATOM 820 CB ARG A 59 -6.231 -19.053 -4.228 1.00 0.00 C ATOM 821 CG ARG A 59 -7.703 -19.390 -4.386 1.00 0.00 C ATOM 822 CD ARG A 59 -7.902 -20.589 -5.298 1.00 0.00 C ATOM 823 NE ARG A 59 -8.754 -21.606 -4.688 1.00 0.00 N ATOM 824 CZ ARG A 59 -10.061 -21.456 -4.503 1.00 0.00 C ATOM 825 NH1 ARG A 59 -10.662 -20.336 -4.878 1.00 0.00 N ATOM 826 NH2 ARG A 59 -10.768 -22.428 -3.943 1.00 0.00 N ATOM 0 H ARG A 59 -4.291 -17.585 -3.751 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.590 -17.933 -2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.975 -18.252 -4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.637 -19.922 -4.512 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.137 -19.599 -3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.233 -18.529 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.346 -20.260 -6.237 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.933 -21.025 -5.539 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.322 -22.480 -4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.121 -19.587 -5.310 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.666 -20.223 -4.735 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.308 -23.291 -3.654 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.771 -22.312 -3.801 1.00 0.00 H new ATOM 840 N GLY A 60 -4.665 -20.523 -1.879 1.00 0.00 N ATOM 841 CA GLY A 60 -4.503 -21.688 -1.031 1.00 0.00 C ATOM 842 C GLY A 60 -3.384 -21.508 -0.026 1.00 0.00 C ATOM 843 O GLY A 60 -3.206 -22.328 0.874 1.00 0.00 O ATOM 0 H GLY A 60 -3.850 -20.292 -2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.436 -21.885 -0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.297 -22.561 -1.650 1.00 0.00 H new ATOM 847 N GLY A 61 -2.627 -20.426 -0.184 1.00 0.00 N ATOM 848 CA GLY A 61 -1.526 -20.147 0.718 1.00 0.00 C ATOM 849 C GLY A 61 -1.815 -18.981 1.646 1.00 0.00 C ATOM 850 O GLY A 61 -2.969 -18.727 1.992 1.00 0.00 O ATOM 0 H GLY A 61 -2.758 -19.736 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.313 -21.036 1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.630 -19.931 0.136 1.00 0.00 H new ATOM 854 N VAL A 62 -0.765 -18.270 2.046 1.00 0.00 N ATOM 855 CA VAL A 62 -0.910 -17.125 2.939 1.00 0.00 C ATOM 856 C VAL A 62 -0.466 -15.836 2.254 1.00 0.00 C ATOM 857 O VAL A 62 0.623 -15.769 1.686 1.00 0.00 O ATOM 858 CB VAL A 62 -0.095 -17.314 4.234 1.00 0.00 C ATOM 859 CG1 VAL A 62 0.029 -16.000 4.993 1.00 0.00 C ATOM 860 CG2 VAL A 62 -0.726 -18.385 5.110 1.00 0.00 C ATOM 0 H VAL A 62 0.196 -18.467 1.766 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.967 -17.053 3.193 1.00 0.00 H new ATOM 0 HB VAL A 62 0.908 -17.641 3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.608 -16.159 5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.532 -15.264 4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.965 -15.635 5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.137 -18.505 6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.742 -18.089 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.752 -19.330 4.568 1.00 0.00 H new ATOM 870 N CYS A 63 -1.316 -14.816 2.312 1.00 0.00 N ATOM 871 CA CYS A 63 -1.008 -13.531 1.699 1.00 0.00 C ATOM 872 C CYS A 63 -0.384 -12.577 2.710 1.00 0.00 C ATOM 873 O CYS A 63 -1.085 -11.939 3.496 1.00 0.00 O ATOM 874 CB CYS A 63 -2.273 -12.912 1.103 1.00 0.00 C ATOM 875 SG CYS A 63 -3.523 -12.426 2.335 1.00 0.00 S ATOM 0 H CYS A 63 -2.223 -14.855 2.777 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.285 -13.702 0.901 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.994 -12.034 0.520 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.721 -13.625 0.411 1.00 0.00 H new ATOM 880 N HIS A 64 0.941 -12.478 2.676 1.00 0.00 N ATOM 881 CA HIS A 64 1.667 -11.595 3.579 1.00 0.00 C ATOM 882 C HIS A 64 1.959 -10.267 2.894 1.00 0.00 C ATOM 883 O HIS A 64 3.113 -9.924 2.640 1.00 0.00 O ATOM 884 CB HIS A 64 2.972 -12.248 4.035 1.00 0.00 C ATOM 885 CG HIS A 64 2.913 -13.741 4.074 1.00 0.00 C ATOM 886 ND1 HIS A 64 2.879 -14.519 2.938 1.00 0.00 N ATOM 887 CD2 HIS A 64 2.886 -14.603 5.118 1.00 0.00 C ATOM 888 CE1 HIS A 64 2.831 -15.792 3.278 1.00 0.00 C ATOM 889 NE2 HIS A 64 2.835 -15.872 4.595 1.00 0.00 N ATOM 0 H HIS A 64 1.534 -13.000 2.031 1.00 0.00 H new ATOM 0 HA HIS A 64 1.046 -11.412 4.456 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.775 -11.942 3.365 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.227 -11.877 5.028 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.902 -14.342 6.166 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.795 -16.627 2.595 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.805 -16.736 5.137 1.00 0.00 H new ATOM 898 N ASN A 65 0.898 -9.532 2.589 1.00 0.00 N ATOM 899 CA ASN A 65 1.023 -8.241 1.926 1.00 0.00 C ATOM 900 C ASN A 65 2.093 -7.382 2.593 1.00 0.00 C ATOM 901 O ASN A 65 1.964 -7.003 3.757 1.00 0.00 O ATOM 902 CB ASN A 65 -0.319 -7.508 1.943 1.00 0.00 C ATOM 903 CG ASN A 65 -0.208 -6.083 1.440 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.623 -5.309 1.913 1.00 0.00 O ATOM 905 ND2 ASN A 65 -1.050 -5.730 0.476 1.00 0.00 N ATOM 0 H ASN A 65 -0.063 -9.809 2.791 1.00 0.00 H new ATOM 0 HA ASN A 65 1.323 -8.419 0.893 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.035 -8.053 1.327 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.713 -7.502 2.959 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.024 -4.783 0.098 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.723 -6.406 0.114 1.00 0.00 H new ATOM 912 N THR A 66 3.143 -7.073 1.842 1.00 0.00 N ATOM 913 CA THR A 66 4.236 -6.253 2.347 1.00 0.00 C ATOM 914 C THR A 66 4.136 -4.835 1.795 1.00 0.00 C ATOM 915 O THR A 66 3.177 -4.502 1.099 1.00 0.00 O ATOM 916 CB THR A 66 5.609 -6.848 1.975 1.00 0.00 C ATOM 917 OG1 THR A 66 6.163 -6.141 0.859 1.00 0.00 O ATOM 918 CG2 THR A 66 5.487 -8.326 1.633 1.00 0.00 C ATOM 0 H THR A 66 3.260 -7.380 0.876 1.00 0.00 H new ATOM 0 HA THR A 66 4.151 -6.231 3.433 1.00 0.00 H new ATOM 0 HB THR A 66 6.269 -6.744 2.836 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.036 -6.524 0.630 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.469 -8.722 1.374 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.093 -8.867 2.493 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.812 -8.449 0.786 1.00 0.00 H new ATOM 926 N GLU A 67 5.124 -4.002 2.104 1.00 0.00 N ATOM 927 CA GLU A 67 5.126 -2.624 1.625 1.00 0.00 C ATOM 928 C GLU A 67 4.869 -2.582 0.118 1.00 0.00 C ATOM 929 O GLU A 67 3.734 -2.744 -0.328 1.00 0.00 O ATOM 930 CB GLU A 67 6.449 -1.934 1.968 1.00 0.00 C ATOM 931 CG GLU A 67 7.655 -2.854 1.888 1.00 0.00 C ATOM 932 CD GLU A 67 8.967 -2.108 2.034 1.00 0.00 C ATOM 933 OE1 GLU A 67 8.931 -0.900 2.349 1.00 0.00 O ATOM 934 OE2 GLU A 67 10.030 -2.732 1.832 1.00 0.00 O ATOM 0 H GLU A 67 5.928 -4.254 2.679 1.00 0.00 H new ATOM 0 HA GLU A 67 4.322 -2.084 2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.598 -1.094 1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.383 -1.522 2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.583 -3.611 2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.644 -3.379 0.933 1.00 0.00 H new ATOM 941 N GLY A 68 5.921 -2.373 -0.669 1.00 0.00 N ATOM 942 CA GLY A 68 5.758 -2.326 -2.108 1.00 0.00 C ATOM 943 C GLY A 68 5.812 -3.701 -2.739 1.00 0.00 C ATOM 944 O GLY A 68 6.613 -3.947 -3.641 1.00 0.00 O ATOM 0 H GLY A 68 6.876 -2.236 -0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.804 -1.856 -2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.539 -1.700 -2.539 1.00 0.00 H new ATOM 948 N SER A 69 4.956 -4.598 -2.263 1.00 0.00 N ATOM 949 CA SER A 69 4.904 -5.961 -2.780 1.00 0.00 C ATOM 950 C SER A 69 4.009 -6.839 -1.909 1.00 0.00 C ATOM 951 O SER A 69 3.185 -6.338 -1.143 1.00 0.00 O ATOM 952 CB SER A 69 6.312 -6.558 -2.852 1.00 0.00 C ATOM 953 OG SER A 69 6.271 -7.922 -3.233 1.00 0.00 O ATOM 0 H SER A 69 4.287 -4.405 -1.518 1.00 0.00 H new ATOM 0 HA SER A 69 4.482 -5.926 -3.784 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.912 -5.996 -3.567 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.800 -6.463 -1.882 1.00 0.00 H new ATOM 0 HG SER A 69 7.183 -8.278 -3.273 1.00 0.00 H new ATOM 959 N TYR A 70 4.180 -8.150 -2.031 1.00 0.00 N ATOM 960 CA TYR A 70 3.391 -9.099 -1.257 1.00 0.00 C ATOM 961 C TYR A 70 3.991 -10.494 -1.346 1.00 0.00 C ATOM 962 O TYR A 70 4.557 -10.874 -2.371 1.00 0.00 O ATOM 963 CB TYR A 70 1.943 -9.103 -1.744 1.00 0.00 C ATOM 964 CG TYR A 70 1.674 -10.060 -2.882 1.00 0.00 C ATOM 965 CD1 TYR A 70 1.881 -9.673 -4.199 1.00 0.00 C ATOM 966 CD2 TYR A 70 1.205 -11.345 -2.640 1.00 0.00 C ATOM 967 CE1 TYR A 70 1.629 -10.540 -5.244 1.00 0.00 C ATOM 968 CE2 TYR A 70 0.952 -12.218 -3.680 1.00 0.00 C ATOM 969 CZ TYR A 70 1.164 -11.811 -4.980 1.00 0.00 C ATOM 970 OH TYR A 70 0.911 -12.677 -6.019 1.00 0.00 O ATOM 0 H TYR A 70 4.859 -8.580 -2.659 1.00 0.00 H new ATOM 0 HA TYR A 70 3.405 -8.790 -0.212 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.291 -9.358 -0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.675 -8.095 -2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.245 -8.678 -4.410 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.036 -11.666 -1.623 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.795 -10.224 -6.263 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.590 -13.215 -3.476 1.00 0.00 H new ATOM 0 HH TYR A 70 0.200 -12.310 -6.585 1.00 0.00 H new ATOM 980 N ARG A 71 3.876 -11.250 -0.261 1.00 0.00 N ATOM 981 CA ARG A 71 4.423 -12.597 -0.216 1.00 0.00 C ATOM 982 C ARG A 71 3.314 -13.640 -0.194 1.00 0.00 C ATOM 983 O ARG A 71 2.175 -13.346 0.168 1.00 0.00 O ATOM 984 CB ARG A 71 5.318 -12.760 1.014 1.00 0.00 C ATOM 985 CG ARG A 71 5.986 -11.468 1.456 1.00 0.00 C ATOM 986 CD ARG A 71 6.333 -11.501 2.934 1.00 0.00 C ATOM 987 NE ARG A 71 7.722 -11.891 3.163 1.00 0.00 N ATOM 988 CZ ARG A 71 8.149 -12.467 4.281 1.00 0.00 C ATOM 989 NH1 ARG A 71 7.299 -12.717 5.268 1.00 0.00 N ATOM 990 NH2 ARG A 71 9.428 -12.792 4.415 1.00 0.00 N ATOM 0 H ARG A 71 3.410 -10.953 0.596 1.00 0.00 H new ATOM 0 HA ARG A 71 5.017 -12.751 -1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.721 -13.151 1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.087 -13.501 0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.892 -11.307 0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.323 -10.627 1.255 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.156 -10.518 3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.671 -12.200 3.446 1.00 0.00 H new ATOM 0 HE ARG A 71 8.401 -11.711 2.424 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.315 -12.467 5.169 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.629 -13.159 6.126 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.085 -12.600 3.659 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.755 -13.234 5.274 1.00 0.00 H new ATOM 1004 N CYS A 72 3.659 -14.860 -0.581 1.00 0.00 N ATOM 1005 CA CYS A 72 2.702 -15.956 -0.607 1.00 0.00 C ATOM 1006 C CYS A 72 3.331 -17.216 -0.011 1.00 0.00 C ATOM 1007 O CYS A 72 4.488 -17.530 -0.290 1.00 0.00 O ATOM 1008 CB CYS A 72 2.245 -16.206 -2.049 1.00 0.00 C ATOM 1009 SG CYS A 72 0.468 -16.584 -2.251 1.00 0.00 S ATOM 0 H CYS A 72 4.599 -15.116 -0.883 1.00 0.00 H new ATOM 0 HA CYS A 72 1.832 -15.692 -0.006 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.482 -15.325 -2.646 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.824 -17.034 -2.458 1.00 0.00 H new ATOM 1014 N GLU A 73 2.575 -17.927 0.826 1.00 0.00 N ATOM 1015 CA GLU A 73 3.083 -19.139 1.470 1.00 0.00 C ATOM 1016 C GLU A 73 2.112 -20.313 1.324 1.00 0.00 C ATOM 1017 O GLU A 73 0.983 -20.262 1.812 1.00 0.00 O ATOM 1018 CB GLU A 73 3.345 -18.863 2.954 1.00 0.00 C ATOM 1019 CG GLU A 73 3.518 -20.117 3.795 1.00 0.00 C ATOM 1020 CD GLU A 73 3.509 -19.825 5.283 1.00 0.00 C ATOM 1021 OE1 GLU A 73 4.580 -19.484 5.828 1.00 0.00 O ATOM 1022 OE2 GLU A 73 2.431 -19.937 5.904 1.00 0.00 O ATOM 0 H GLU A 73 1.615 -17.687 1.073 1.00 0.00 H new ATOM 0 HA GLU A 73 4.013 -19.416 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.241 -18.250 3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.517 -18.280 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.719 -20.820 3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.457 -20.602 3.529 1.00 0.00 H new ATOM 1029 N CYS A 74 2.566 -21.372 0.658 1.00 0.00 N ATOM 1030 CA CYS A 74 1.746 -22.560 0.457 1.00 0.00 C ATOM 1031 C CYS A 74 1.722 -23.455 1.704 1.00 0.00 C ATOM 1032 O CYS A 74 0.718 -24.112 1.977 1.00 0.00 O ATOM 1033 CB CYS A 74 2.239 -23.359 -0.751 1.00 0.00 C ATOM 1034 SG CYS A 74 1.032 -23.491 -2.111 1.00 0.00 S ATOM 0 H CYS A 74 3.498 -21.430 0.249 1.00 0.00 H new ATOM 0 HA CYS A 74 0.728 -22.220 0.269 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.148 -22.894 -1.132 1.00 0.00 H new ATOM 0 HB3 CYS A 74 2.508 -24.363 -0.422 1.00 0.00 H new ATOM 1039 N PRO A 75 2.837 -23.516 2.470 1.00 0.00 N ATOM 1040 CA PRO A 75 4.067 -22.755 2.193 1.00 0.00 C ATOM 1041 C PRO A 75 4.752 -23.193 0.903 1.00 0.00 C ATOM 1042 O PRO A 75 4.391 -24.205 0.307 1.00 0.00 O ATOM 1043 CB PRO A 75 4.968 -23.067 3.401 1.00 0.00 C ATOM 1044 CG PRO A 75 4.046 -23.610 4.443 1.00 0.00 C ATOM 1045 CD PRO A 75 2.966 -24.321 3.688 1.00 0.00 C ATOM 0 HA PRO A 75 3.857 -21.694 2.059 1.00 0.00 H new ATOM 0 HB2 PRO A 75 5.740 -23.792 3.141 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.478 -22.171 3.754 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.569 -24.291 5.114 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.634 -22.810 5.058 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.240 -25.352 3.464 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.033 -24.354 4.251 1.00 0.00 H new ATOM 1053 N PRO A 76 5.777 -22.437 0.476 1.00 0.00 N ATOM 1054 CA PRO A 76 6.538 -22.741 -0.732 1.00 0.00 C ATOM 1055 C PRO A 76 6.748 -24.234 -0.939 1.00 0.00 C ATOM 1056 O PRO A 76 6.843 -24.701 -2.074 1.00 0.00 O ATOM 1057 CB PRO A 76 7.865 -22.036 -0.468 1.00 0.00 C ATOM 1058 CG PRO A 76 7.489 -20.837 0.334 1.00 0.00 C ATOM 1059 CD PRO A 76 6.289 -21.234 1.159 1.00 0.00 C ATOM 0 HA PRO A 76 6.028 -22.415 -1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.556 -22.679 0.077 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.358 -21.754 -1.398 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.314 -20.524 0.974 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.252 -19.994 -0.315 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.566 -21.447 2.191 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.542 -20.441 1.187 1.00 0.00 H new ATOM 1067 N GLY A 77 6.808 -24.987 0.158 1.00 0.00 N ATOM 1068 CA GLY A 77 6.992 -26.423 0.051 1.00 0.00 C ATOM 1069 C GLY A 77 6.215 -26.989 -1.117 1.00 0.00 C ATOM 1070 O GLY A 77 6.620 -27.974 -1.733 1.00 0.00 O ATOM 0 H GLY A 77 6.733 -24.631 1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.052 -26.648 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.668 -26.904 0.974 1.00 0.00 H new ATOM 1074 N HIS A 78 5.095 -26.342 -1.424 1.00 0.00 N ATOM 1075 CA HIS A 78 4.242 -26.748 -2.530 1.00 0.00 C ATOM 1076 C HIS A 78 4.724 -26.089 -3.830 1.00 0.00 C ATOM 1077 O HIS A 78 5.903 -26.185 -4.170 1.00 0.00 O ATOM 1078 CB HIS A 78 2.793 -26.367 -2.213 1.00 0.00 C ATOM 1079 CG HIS A 78 1.781 -27.243 -2.883 1.00 0.00 C ATOM 1080 ND1 HIS A 78 0.440 -26.930 -2.948 1.00 0.00 N ATOM 1081 CD2 HIS A 78 1.920 -28.428 -3.523 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -0.202 -27.886 -3.597 1.00 0.00 C ATOM 1083 NE2 HIS A 78 0.673 -28.806 -3.956 1.00 0.00 N ATOM 0 H HIS A 78 4.756 -25.526 -0.915 1.00 0.00 H new ATOM 0 HA HIS A 78 4.294 -27.828 -2.666 1.00 0.00 H new ATOM 0 HB2 HIS A 78 2.642 -26.412 -1.134 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.624 -25.334 -2.516 1.00 0.00 H new ATOM 0 HD2 HIS A 78 2.841 -28.974 -3.666 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -1.263 -27.910 -3.799 1.00 0.00 H new ATOM 0 HE2 HIS A 78 0.458 -29.659 -4.472 1.00 0.00 H new ATOM 1092 N GLN A 79 3.830 -25.408 -4.552 1.00 0.00 N ATOM 1093 CA GLN A 79 4.206 -24.737 -5.786 1.00 0.00 C ATOM 1094 C GLN A 79 3.462 -23.415 -5.890 1.00 0.00 C ATOM 1095 O GLN A 79 2.636 -23.215 -6.780 1.00 0.00 O ATOM 1096 CB GLN A 79 3.901 -25.620 -6.997 1.00 0.00 C ATOM 1097 CG GLN A 79 5.143 -26.121 -7.714 1.00 0.00 C ATOM 1098 CD GLN A 79 5.159 -25.741 -9.181 1.00 0.00 C ATOM 1099 OE1 GLN A 79 6.209 -25.433 -9.744 1.00 0.00 O ATOM 1100 NE2 GLN A 79 3.989 -25.759 -9.810 1.00 0.00 N ATOM 0 H GLN A 79 2.847 -25.311 -4.300 1.00 0.00 H new ATOM 0 HA GLN A 79 5.279 -24.545 -5.773 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.309 -26.476 -6.672 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.288 -25.057 -7.701 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.029 -25.714 -7.227 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.199 -27.206 -7.622 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.142 -26.021 -9.305 1.00 0.00 H new ATOM 0 HE22 GLN A 79 3.937 -25.511 -10.798 1.00 0.00 H new ATOM 1109 N LEU A 80 3.749 -22.525 -4.948 1.00 0.00 N ATOM 1110 CA LEU A 80 3.105 -21.224 -4.895 1.00 0.00 C ATOM 1111 C LEU A 80 3.887 -20.188 -5.688 1.00 0.00 C ATOM 1112 O LEU A 80 5.094 -20.029 -5.508 1.00 0.00 O ATOM 1113 CB LEU A 80 2.971 -20.782 -3.438 1.00 0.00 C ATOM 1114 CG LEU A 80 2.471 -19.354 -3.214 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.671 -18.853 -4.407 1.00 0.00 C ATOM 1116 CD2 LEU A 80 1.635 -19.293 -1.946 1.00 0.00 C ATOM 0 H LEU A 80 4.430 -22.685 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 80 2.116 -21.309 -5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.291 -21.467 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.944 -20.885 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 80 3.337 -18.702 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.330 -17.835 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.300 -18.864 -5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.809 -19.501 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.282 -18.273 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.780 -19.963 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.243 -19.599 -1.094 1.00 0.00 H new ATOM 1128 N SER A 81 3.187 -19.483 -6.566 1.00 0.00 N ATOM 1129 CA SER A 81 3.808 -18.457 -7.388 1.00 0.00 C ATOM 1130 C SER A 81 4.436 -17.373 -6.516 1.00 0.00 C ATOM 1131 O SER A 81 3.807 -16.866 -5.588 1.00 0.00 O ATOM 1132 CB SER A 81 2.774 -17.840 -8.326 1.00 0.00 C ATOM 1133 OG SER A 81 1.466 -18.280 -8.003 1.00 0.00 O ATOM 0 H SER A 81 2.187 -19.604 -6.727 1.00 0.00 H new ATOM 0 HA SER A 81 4.596 -18.921 -7.981 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.822 -16.753 -8.261 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.007 -18.108 -9.356 1.00 0.00 H new ATOM 0 HG SER A 81 1.233 -17.978 -7.100 1.00 0.00 H new ATOM 1139 N PRO A 82 5.691 -17.009 -6.808 1.00 0.00 N ATOM 1140 CA PRO A 82 6.417 -15.983 -6.054 1.00 0.00 C ATOM 1141 C PRO A 82 5.639 -14.678 -5.947 1.00 0.00 C ATOM 1142 O PRO A 82 5.499 -14.117 -4.858 1.00 0.00 O ATOM 1143 CB PRO A 82 7.707 -15.771 -6.861 1.00 0.00 C ATOM 1144 CG PRO A 82 7.484 -16.463 -8.167 1.00 0.00 C ATOM 1145 CD PRO A 82 6.503 -17.565 -7.893 1.00 0.00 C ATOM 0 HA PRO A 82 6.594 -16.296 -5.025 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.906 -14.710 -7.009 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.569 -16.187 -6.339 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.094 -15.771 -8.913 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.419 -16.862 -8.561 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.901 -17.799 -8.771 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.002 -18.487 -7.594 1.00 0.00 H new ATOM 1153 N ASN A 83 5.137 -14.192 -7.077 1.00 0.00 N ATOM 1154 CA ASN A 83 4.377 -12.946 -7.094 1.00 0.00 C ATOM 1155 C ASN A 83 3.328 -12.947 -8.202 1.00 0.00 C ATOM 1156 O ASN A 83 3.018 -11.902 -8.774 1.00 0.00 O ATOM 1157 CB ASN A 83 5.319 -11.755 -7.271 1.00 0.00 C ATOM 1158 CG ASN A 83 5.907 -11.289 -5.955 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.114 -11.081 -5.840 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.052 -11.121 -4.952 1.00 0.00 N ATOM 0 H ASN A 83 5.241 -14.638 -7.988 1.00 0.00 H new ATOM 0 HA ASN A 83 3.860 -12.859 -6.138 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.126 -12.030 -7.950 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.777 -10.932 -7.737 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.389 -10.808 -4.042 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.059 -11.305 -5.092 1.00 0.00 H new ATOM 1167 N ILE A 84 2.773 -14.119 -8.491 1.00 0.00 N ATOM 1168 CA ILE A 84 1.748 -14.236 -9.522 1.00 0.00 C ATOM 1169 C ILE A 84 0.367 -14.338 -8.887 1.00 0.00 C ATOM 1170 O ILE A 84 -0.638 -13.977 -9.499 1.00 0.00 O ATOM 1171 CB ILE A 84 1.980 -15.456 -10.434 1.00 0.00 C ATOM 1172 CG1 ILE A 84 3.379 -15.404 -11.055 1.00 0.00 C ATOM 1173 CG2 ILE A 84 0.918 -15.511 -11.521 1.00 0.00 C ATOM 1174 CD1 ILE A 84 4.499 -15.413 -10.037 1.00 0.00 C ATOM 0 H ILE A 84 3.013 -14.996 -8.029 1.00 0.00 H new ATOM 0 HA ILE A 84 1.809 -13.337 -10.136 1.00 0.00 H new ATOM 0 HB ILE A 84 1.906 -16.360 -9.829 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.501 -16.256 -11.724 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.462 -14.505 -11.665 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.094 -16.378 -12.158 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.068 -15.592 -11.063 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.965 -14.603 -12.122 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.459 -15.374 -10.552 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.403 -14.546 -9.383 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.443 -16.325 -9.442 1.00 0.00 H new ATOM 1186 N SER A 85 0.329 -14.812 -7.644 1.00 0.00 N ATOM 1187 CA SER A 85 -0.925 -14.939 -6.910 1.00 0.00 C ATOM 1188 C SER A 85 -1.664 -16.227 -7.268 1.00 0.00 C ATOM 1189 O SER A 85 -2.562 -16.215 -8.109 1.00 0.00 O ATOM 1190 CB SER A 85 -1.818 -13.730 -7.202 1.00 0.00 C ATOM 1191 OG SER A 85 -1.052 -12.618 -7.632 1.00 0.00 O ATOM 0 H SER A 85 1.153 -15.114 -7.125 1.00 0.00 H new ATOM 0 HA SER A 85 -0.688 -14.977 -5.847 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.548 -13.990 -7.969 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.379 -13.464 -6.306 1.00 0.00 H new ATOM 0 HG SER A 85 -1.092 -12.551 -8.609 1.00 0.00 H new ATOM 1197 N ALA A 86 -1.297 -17.333 -6.615 1.00 0.00 N ATOM 1198 CA ALA A 86 -1.951 -18.617 -6.867 1.00 0.00 C ATOM 1199 C ALA A 86 -1.081 -19.799 -6.443 1.00 0.00 C ATOM 1200 O ALA A 86 -0.149 -20.182 -7.150 1.00 0.00 O ATOM 1201 CB ALA A 86 -2.314 -18.744 -8.340 1.00 0.00 C ATOM 0 H ALA A 86 -0.557 -17.364 -5.914 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.858 -18.641 -6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.800 -19.704 -8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.993 -17.938 -8.618 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.409 -18.681 -8.944 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.408 -20.387 -5.294 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.674 -21.541 -4.785 1.00 0.00 C ATOM 1209 C CYS A 87 -0.805 -22.717 -5.750 1.00 0.00 C ATOM 1210 O CYS A 87 -1.799 -22.823 -6.470 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.217 -21.938 -3.410 1.00 0.00 C ATOM 1212 SG CYS A 87 -0.020 -21.756 -2.051 1.00 0.00 S ATOM 0 H CYS A 87 -2.178 -20.082 -4.698 1.00 0.00 H new ATOM 0 HA CYS A 87 0.379 -21.275 -4.693 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.094 -21.330 -3.190 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.549 -22.975 -3.449 1.00 0.00 H new ATOM 1217 N ILE A 88 0.189 -23.603 -5.768 1.00 0.00 N ATOM 1218 CA ILE A 88 0.146 -24.758 -6.657 1.00 0.00 C ATOM 1219 C ILE A 88 1.037 -25.882 -6.147 1.00 0.00 C ATOM 1220 O ILE A 88 1.281 -26.837 -6.914 1.00 0.00 O ATOM 1221 CB ILE A 88 0.573 -24.384 -8.089 1.00 0.00 C ATOM 1222 CG1 ILE A 88 0.363 -22.890 -8.339 1.00 0.00 C ATOM 1223 CG2 ILE A 88 -0.202 -25.211 -9.103 1.00 0.00 C ATOM 1224 CD1 ILE A 88 0.822 -22.436 -9.707 1.00 0.00 C ATOM 1225 OXT ILE A 88 1.481 -25.800 -4.985 1.00 0.00 O ATOM 0 H ILE A 88 1.023 -23.544 -5.184 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.888 -25.102 -6.674 1.00 0.00 H new ATOM 0 HB ILE A 88 1.635 -24.603 -8.203 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.695 -22.656 -8.223 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.900 -22.324 -7.578 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.110 -24.936 -10.111 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.003 -26.270 -8.937 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.269 -25.020 -8.989 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.643 -21.366 -9.814 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.887 -22.638 -9.819 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.267 -22.976 -10.475 1.00 0.00 H new TER 1237 ILE A 88 HETATM 1238 CA CA A 101 -0.578 21.002 -11.900 1.00 0.00 CA HETATM 1239 CA CA A 102 0.945 -3.753 0.052 1.00 0.00 CA