USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 633 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 22 LYS NZ :NH3+ 175:sc= -1.63 (180deg=-1.72) USER MOD Set 1.2: A 81 GLN : amide:sc= -7.03! C(o=-8.7!,f=-11!) USER MOD Set 2.1: A 38 SER OG : rot 130:sc= 0.942 USER MOD Set 2.2: A 39 HIS : no HE2:sc= -2.97! C(o=-2!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -105:sc= -1.66 (180deg=-4.68!) USER MOD Single : A 4 ASN : amide:sc= -1.89! C(o=-1.9!,f=-4.1!) USER MOD Single : A 8 SER OG : rot 180:sc= -0.113 USER MOD Single : A 9 GLN : amide:sc= -0.878 K(o=-0.88,f=-3.3!) USER MOD Single : A 11 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.32) USER MOD Single : A 12 GLN : amide:sc= -0.181 K(o=-0.18,f=-2.2!) USER MOD Single : A 13 CYS SG : rot 74:sc= 0.149 USER MOD Single : A 14 CYS SG : rot -135:sc= -0.497! USER MOD Single : A 16 THR OG1 : rot -7:sc= 0.901 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -140:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 34 THR OG1 : rot 24:sc= 0.679 USER MOD Single : A 42 THR OG1 : rot -74:sc= 0.792 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -130:sc= -0.107 USER MOD Single : A 48 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 163:sc= -0.811 (180deg=-1.73) USER MOD Single : A 56 CYS SG : rot 180:sc= -0.0029 USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= -0.0349 (180deg=-0.483) USER MOD Single : A 61 SER OG : rot 180:sc=-0.00516 USER MOD Single : A 62 LYS NZ :NH3+ 147:sc= -0.152 (180deg=-2.06) USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= -0.257 (180deg=-1.28!) USER MOD Single : A 64 GLN : amide:sc= -0.162 K(o=-0.16,f=-2.2!) USER MOD Single : A 66 LYS NZ :NH3+ -115:sc= -1.35 (180deg=-3.53!) USER MOD Single : A 67 MET CE :methyl -144:sc= 0 (180deg=-1.12) USER MOD Single : A 71 MET CE :methyl 156:sc= -0.0642 (180deg=-0.73) USER MOD Single : A 76 LYS NZ :NH3+ -161:sc= -0.0305 (180deg=-0.388) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.179 K(o=-0.18,f=-2.3!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.571 10.502 19.434 1.00 0.00 N ATOM 2 CA GLY A 1 -14.763 9.074 19.813 1.00 0.00 C ATOM 3 C GLY A 1 -15.742 8.416 18.844 1.00 0.00 C ATOM 4 O GLY A 1 -16.772 7.886 19.256 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.644 10.618 18.978 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.321 10.790 18.773 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.614 11.096 20.286 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.807 8.550 19.793 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.143 9.005 20.832 1.00 0.00 H new ATOM 10 N PRO A 2 -15.438 8.445 17.572 1.00 0.00 N ATOM 11 CA PRO A 2 -16.312 7.840 16.520 1.00 0.00 C ATOM 12 C PRO A 2 -16.307 6.313 16.580 1.00 0.00 C ATOM 13 O PRO A 2 -15.315 5.697 16.970 1.00 0.00 O ATOM 14 CB PRO A 2 -15.705 8.360 15.207 1.00 0.00 C ATOM 15 CG PRO A 2 -14.267 8.621 15.524 1.00 0.00 C ATOM 16 CD PRO A 2 -14.228 9.057 16.994 1.00 0.00 C ATOM 0 HA PRO A 2 -17.360 8.114 16.639 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -15.806 7.626 14.407 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -16.207 9.268 14.872 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.665 7.726 15.367 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -13.860 9.397 14.876 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.324 8.705 17.492 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -14.243 10.143 17.090 1.00 0.00 H new ATOM 24 N GLY A 3 -17.425 5.711 16.186 1.00 0.00 N ATOM 25 CA GLY A 3 -17.544 4.258 16.196 1.00 0.00 C ATOM 26 C GLY A 3 -19.008 3.834 16.173 1.00 0.00 C ATOM 27 O GLY A 3 -19.528 3.425 15.134 1.00 0.00 O ATOM 0 H GLY A 3 -18.256 6.203 15.858 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -17.026 3.840 15.332 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -17.058 3.855 17.085 1.00 0.00 H new ATOM 31 N ASN A 4 -19.665 3.932 17.323 1.00 0.00 N ATOM 32 CA ASN A 4 -21.070 3.554 17.422 1.00 0.00 C ATOM 33 C ASN A 4 -21.289 2.165 16.841 1.00 0.00 C ATOM 34 O ASN A 4 -20.358 1.540 16.335 1.00 0.00 O ATOM 35 CB ASN A 4 -21.941 4.560 16.672 1.00 0.00 C ATOM 36 CG ASN A 4 -23.402 4.378 17.066 1.00 0.00 C ATOM 37 OD1 ASN A 4 -23.699 4.040 18.212 1.00 0.00 O ATOM 38 ND2 ASN A 4 -24.336 4.578 16.179 1.00 0.00 N ATOM 0 H ASN A 4 -19.252 4.267 18.193 1.00 0.00 H new ATOM 0 HA ASN A 4 -21.349 3.549 18.476 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -21.618 5.575 16.901 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -21.826 4.423 15.597 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -25.316 4.455 16.434 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -24.087 4.858 15.230 1.00 0.00 H new ATOM 45 N ASP A 5 -22.526 1.683 16.919 1.00 0.00 N ATOM 46 CA ASP A 5 -22.854 0.358 16.396 1.00 0.00 C ATOM 47 C ASP A 5 -23.318 0.448 14.937 1.00 0.00 C ATOM 48 O ASP A 5 -23.938 1.434 14.542 1.00 0.00 O ATOM 49 CB ASP A 5 -23.955 -0.276 17.247 1.00 0.00 C ATOM 50 CG ASP A 5 -23.439 -0.518 18.660 1.00 0.00 C ATOM 51 OD1 ASP A 5 -22.240 -0.397 18.859 1.00 0.00 O ATOM 52 OD2 ASP A 5 -24.244 -0.827 19.521 1.00 0.00 O ATOM 0 H ASP A 5 -23.312 2.183 17.335 1.00 0.00 H new ATOM 0 HA ASP A 5 -21.957 -0.260 16.438 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -24.827 0.377 17.275 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -24.276 -1.217 16.801 1.00 0.00 H new ATOM 57 N PRO A 6 -23.047 -0.561 14.137 1.00 0.00 N ATOM 58 CA PRO A 6 -23.468 -0.587 12.702 1.00 0.00 C ATOM 59 C PRO A 6 -24.982 -0.751 12.555 1.00 0.00 C ATOM 60 O PRO A 6 -25.672 -1.147 13.495 1.00 0.00 O ATOM 61 CB PRO A 6 -22.710 -1.793 12.124 1.00 0.00 C ATOM 62 CG PRO A 6 -22.488 -2.699 13.290 1.00 0.00 C ATOM 63 CD PRO A 6 -22.302 -1.784 14.501 1.00 0.00 C ATOM 0 HA PRO A 6 -23.239 0.344 12.183 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -23.289 -2.287 11.344 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -21.765 -1.488 11.675 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -23.337 -3.368 13.432 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -21.610 -3.326 13.136 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -22.698 -2.238 15.410 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -21.249 -1.571 14.684 1.00 0.00 H new ATOM 71 N ILE A 7 -25.488 -0.439 11.370 1.00 0.00 N ATOM 72 CA ILE A 7 -26.917 -0.549 11.103 1.00 0.00 C ATOM 73 C ILE A 7 -27.339 -2.009 11.141 1.00 0.00 C ATOM 74 O ILE A 7 -28.519 -2.316 11.305 1.00 0.00 O ATOM 75 CB ILE A 7 -27.235 0.042 9.723 1.00 0.00 C ATOM 76 CG1 ILE A 7 -27.287 1.566 9.822 1.00 0.00 C ATOM 77 CG2 ILE A 7 -28.595 -0.470 9.220 1.00 0.00 C ATOM 78 CD1 ILE A 7 -25.911 2.108 10.219 1.00 0.00 C ATOM 0 H ILE A 7 -24.933 -0.109 10.580 1.00 0.00 H new ATOM 0 HA ILE A 7 -27.464 0.003 11.867 1.00 0.00 H new ATOM 0 HB ILE A 7 -26.456 -0.264 9.025 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -27.593 1.991 8.866 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -28.032 1.866 10.558 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -28.805 -0.041 8.240 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -28.569 -1.557 9.142 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -29.376 -0.175 9.920 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -25.954 3.195 10.288 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -25.622 1.694 11.185 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -25.176 1.821 9.467 1.00 0.00 H new ATOM 90 N SER A 8 -26.382 -2.903 10.959 1.00 0.00 N ATOM 91 CA SER A 8 -26.696 -4.317 10.952 1.00 0.00 C ATOM 92 C SER A 8 -27.395 -4.687 12.246 1.00 0.00 C ATOM 93 O SER A 8 -28.248 -5.565 12.269 1.00 0.00 O ATOM 94 CB SER A 8 -25.411 -5.132 10.815 1.00 0.00 C ATOM 95 OG SER A 8 -24.581 -4.882 11.943 1.00 0.00 O ATOM 0 H SER A 8 -25.397 -2.678 10.816 1.00 0.00 H new ATOM 0 HA SER A 8 -27.351 -4.535 10.109 1.00 0.00 H new ATOM 0 HB2 SER A 8 -25.645 -6.195 10.748 1.00 0.00 H new ATOM 0 HB3 SER A 8 -24.890 -4.861 9.897 1.00 0.00 H new ATOM 0 HG SER A 8 -23.755 -5.403 11.863 1.00 0.00 H new ATOM 101 N GLN A 9 -27.046 -4.000 13.318 1.00 0.00 N ATOM 102 CA GLN A 9 -27.675 -4.277 14.599 1.00 0.00 C ATOM 103 C GLN A 9 -29.179 -4.035 14.519 1.00 0.00 C ATOM 104 O GLN A 9 -29.986 -4.875 14.930 1.00 0.00 O ATOM 105 CB GLN A 9 -27.068 -3.369 15.669 1.00 0.00 C ATOM 106 CG GLN A 9 -27.683 -3.693 17.038 1.00 0.00 C ATOM 107 CD GLN A 9 -27.028 -2.843 18.127 1.00 0.00 C ATOM 108 OE1 GLN A 9 -26.231 -1.954 17.827 1.00 0.00 O ATOM 109 NE2 GLN A 9 -27.313 -3.070 19.382 1.00 0.00 N ATOM 0 H GLN A 9 -26.344 -3.260 13.331 1.00 0.00 H new ATOM 0 HA GLN A 9 -27.502 -5.322 14.858 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -25.987 -3.506 15.704 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -27.249 -2.324 15.417 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -28.756 -3.505 17.016 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -27.550 -4.751 17.263 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -27.973 -3.807 19.630 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -26.875 -2.510 20.114 1.00 0.00 H new ATOM 118 N LEU A 10 -29.553 -2.881 13.979 1.00 0.00 N ATOM 119 CA LEU A 10 -30.963 -2.543 13.855 1.00 0.00 C ATOM 120 C LEU A 10 -31.651 -3.504 12.896 1.00 0.00 C ATOM 121 O LEU A 10 -32.739 -4.009 13.174 1.00 0.00 O ATOM 122 CB LEU A 10 -31.121 -1.092 13.364 1.00 0.00 C ATOM 123 CG LEU A 10 -32.399 -0.457 13.957 1.00 0.00 C ATOM 124 CD1 LEU A 10 -33.616 -1.335 13.625 1.00 0.00 C ATOM 125 CD2 LEU A 10 -32.256 -0.289 15.494 1.00 0.00 C ATOM 0 H LEU A 10 -28.909 -2.174 13.625 1.00 0.00 H new ATOM 0 HA LEU A 10 -31.433 -2.632 14.835 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -30.249 -0.507 13.654 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -31.170 -1.073 12.275 1.00 0.00 H new ATOM 0 HG LEU A 10 -32.543 0.530 13.517 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -34.515 -0.884 14.045 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -33.722 -1.416 12.543 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -33.475 -2.328 14.051 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -33.164 0.159 15.897 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -32.098 -1.265 15.954 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -31.405 0.356 15.712 1.00 0.00 H new ATOM 137 N GLN A 11 -31.013 -3.747 11.763 1.00 0.00 N ATOM 138 CA GLN A 11 -31.585 -4.643 10.770 1.00 0.00 C ATOM 139 C GLN A 11 -31.822 -6.024 11.379 1.00 0.00 C ATOM 140 O GLN A 11 -32.844 -6.656 11.119 1.00 0.00 O ATOM 141 CB GLN A 11 -30.642 -4.764 9.575 1.00 0.00 C ATOM 142 CG GLN A 11 -31.314 -5.567 8.456 1.00 0.00 C ATOM 143 CD GLN A 11 -32.526 -4.811 7.917 1.00 0.00 C ATOM 144 OE1 GLN A 11 -32.407 -3.652 7.521 1.00 0.00 O ATOM 145 NE2 GLN A 11 -33.687 -5.404 7.871 1.00 0.00 N ATOM 0 H GLN A 11 -30.111 -3.343 11.509 1.00 0.00 H new ATOM 0 HA GLN A 11 -32.539 -4.234 10.437 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -30.374 -3.772 9.211 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -29.717 -5.253 9.880 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -30.602 -5.748 7.651 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -31.623 -6.542 8.833 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -33.782 -6.365 8.200 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -34.499 -4.907 7.506 1.00 0.00 H new ATOM 154 N GLN A 12 -30.881 -6.476 12.199 1.00 0.00 N ATOM 155 CA GLN A 12 -31.008 -7.780 12.842 1.00 0.00 C ATOM 156 C GLN A 12 -32.262 -7.828 13.712 1.00 0.00 C ATOM 157 O GLN A 12 -32.973 -8.835 13.740 1.00 0.00 O ATOM 158 CB GLN A 12 -29.766 -8.056 13.701 1.00 0.00 C ATOM 159 CG GLN A 12 -28.587 -8.456 12.807 1.00 0.00 C ATOM 160 CD GLN A 12 -28.753 -9.900 12.348 1.00 0.00 C ATOM 161 OE1 GLN A 12 -29.416 -10.690 13.020 1.00 0.00 O ATOM 162 NE2 GLN A 12 -28.181 -10.295 11.245 1.00 0.00 N ATOM 0 H GLN A 12 -30.029 -5.966 12.433 1.00 0.00 H new ATOM 0 HA GLN A 12 -31.092 -8.545 12.070 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -29.509 -7.168 14.279 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -29.977 -8.852 14.415 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -28.533 -7.794 11.943 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -27.650 -8.344 13.353 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -27.632 -9.637 10.691 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -28.282 -11.262 10.936 1.00 0.00 H new ATOM 171 N CYS A 13 -32.538 -6.738 14.411 1.00 0.00 N ATOM 172 CA CYS A 13 -33.723 -6.686 15.262 1.00 0.00 C ATOM 173 C CYS A 13 -34.984 -6.876 14.421 1.00 0.00 C ATOM 174 O CYS A 13 -35.916 -7.570 14.825 1.00 0.00 O ATOM 175 CB CYS A 13 -33.781 -5.344 15.990 1.00 0.00 C ATOM 176 SG CYS A 13 -32.469 -5.277 17.235 1.00 0.00 S ATOM 0 H CYS A 13 -31.971 -5.890 14.409 1.00 0.00 H new ATOM 0 HA CYS A 13 -33.665 -7.489 15.997 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -33.664 -4.527 15.278 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -34.754 -5.217 16.464 1.00 0.00 H new ATOM 0 HG CYS A 13 -31.323 -5.100 16.648 1.00 0.00 H new ATOM 182 N CYS A 14 -35.002 -6.261 13.245 1.00 0.00 N ATOM 183 CA CYS A 14 -36.147 -6.376 12.350 1.00 0.00 C ATOM 184 C CYS A 14 -36.367 -7.835 11.952 1.00 0.00 C ATOM 185 O CYS A 14 -37.501 -8.301 11.848 1.00 0.00 O ATOM 186 CB CYS A 14 -35.926 -5.526 11.098 1.00 0.00 C ATOM 187 SG CYS A 14 -37.457 -5.480 10.134 1.00 0.00 S ATOM 0 H CYS A 14 -34.242 -5.681 12.890 1.00 0.00 H new ATOM 0 HA CYS A 14 -37.032 -6.016 12.874 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -35.627 -4.516 11.378 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -35.117 -5.943 10.499 1.00 0.00 H new ATOM 0 HG CYS A 14 -37.185 -5.678 8.878 1.00 0.00 H new ATOM 193 N LEU A 15 -35.278 -8.554 11.717 1.00 0.00 N ATOM 194 CA LEU A 15 -35.379 -9.955 11.328 1.00 0.00 C ATOM 195 C LEU A 15 -36.080 -10.754 12.428 1.00 0.00 C ATOM 196 O LEU A 15 -36.910 -11.619 12.147 1.00 0.00 O ATOM 197 CB LEU A 15 -33.967 -10.528 11.068 1.00 0.00 C ATOM 198 CG LEU A 15 -33.595 -10.402 9.583 1.00 0.00 C ATOM 199 CD1 LEU A 15 -33.462 -8.925 9.208 1.00 0.00 C ATOM 200 CD2 LEU A 15 -32.259 -11.107 9.334 1.00 0.00 C ATOM 0 H LEU A 15 -34.325 -8.197 11.787 1.00 0.00 H new ATOM 0 HA LEU A 15 -35.966 -10.031 10.413 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -33.236 -9.997 11.678 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -33.933 -11.575 11.369 1.00 0.00 H new ATOM 0 HG LEU A 15 -34.375 -10.862 8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -33.198 -8.840 8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -34.410 -8.417 9.387 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -32.683 -8.464 9.816 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -31.992 -11.019 8.281 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -31.484 -10.644 9.945 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -32.349 -12.160 9.599 1.00 0.00 H new ATOM 212 N THR A 16 -35.741 -10.462 13.676 1.00 0.00 N ATOM 213 CA THR A 16 -36.347 -11.165 14.802 1.00 0.00 C ATOM 214 C THR A 16 -37.693 -10.550 15.159 1.00 0.00 C ATOM 215 O THR A 16 -38.423 -11.072 16.001 1.00 0.00 O ATOM 216 CB THR A 16 -35.416 -11.109 16.011 1.00 0.00 C ATOM 217 OG1 THR A 16 -35.223 -9.756 16.397 1.00 0.00 O ATOM 218 CG2 THR A 16 -34.075 -11.740 15.640 1.00 0.00 C ATOM 0 H THR A 16 -35.057 -9.751 13.935 1.00 0.00 H new ATOM 0 HA THR A 16 -36.506 -12.205 14.515 1.00 0.00 H new ATOM 0 HB THR A 16 -35.857 -11.658 16.843 1.00 0.00 H new ATOM 0 HG1 THR A 16 -35.640 -9.165 15.736 1.00 0.00 H new ATOM 0 HG21 THR A 16 -33.405 -11.703 16.499 1.00 0.00 H new ATOM 0 HG22 THR A 16 -34.230 -12.778 15.345 1.00 0.00 H new ATOM 0 HG23 THR A 16 -33.631 -11.190 14.810 1.00 0.00 H new ATOM 226 N LEU A 17 -38.012 -9.431 14.521 1.00 0.00 N ATOM 227 CA LEU A 17 -39.274 -8.750 14.790 1.00 0.00 C ATOM 228 C LEU A 17 -40.434 -9.465 14.108 1.00 0.00 C ATOM 229 O LEU A 17 -40.386 -9.750 12.912 1.00 0.00 O ATOM 230 CB LEU A 17 -39.202 -7.300 14.293 1.00 0.00 C ATOM 231 CG LEU A 17 -40.552 -6.570 14.544 1.00 0.00 C ATOM 232 CD1 LEU A 17 -40.294 -5.145 15.051 1.00 0.00 C ATOM 233 CD2 LEU A 17 -41.367 -6.489 13.239 1.00 0.00 C ATOM 0 H LEU A 17 -37.423 -8.979 13.822 1.00 0.00 H new ATOM 0 HA LEU A 17 -39.444 -8.760 15.867 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -38.397 -6.774 14.805 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -38.966 -7.285 13.229 1.00 0.00 H new ATOM 0 HG LEU A 17 -41.111 -7.134 15.291 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -41.246 -4.642 15.224 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -39.731 -5.187 15.984 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -39.721 -4.592 14.306 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -42.309 -5.976 13.430 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -40.799 -5.938 12.489 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -41.570 -7.496 12.874 1.00 0.00 H new ATOM 245 N ARG A 18 -41.475 -9.746 14.884 1.00 0.00 N ATOM 246 CA ARG A 18 -42.658 -10.422 14.359 1.00 0.00 C ATOM 247 C ARG A 18 -43.392 -9.530 13.362 1.00 0.00 C ATOM 248 O ARG A 18 -43.487 -8.317 13.554 1.00 0.00 O ATOM 249 CB ARG A 18 -43.609 -10.790 15.501 1.00 0.00 C ATOM 250 CG ARG A 18 -44.828 -11.529 14.935 1.00 0.00 C ATOM 251 CD ARG A 18 -45.730 -11.983 16.081 1.00 0.00 C ATOM 252 NE ARG A 18 -45.058 -12.997 16.883 1.00 0.00 N ATOM 253 CZ ARG A 18 -45.609 -13.461 17.997 1.00 0.00 C ATOM 254 NH1 ARG A 18 -44.993 -14.370 18.700 1.00 0.00 N ATOM 255 NH2 ARG A 18 -46.769 -13.006 18.389 1.00 0.00 N ATOM 0 H ARG A 18 -41.525 -9.517 15.877 1.00 0.00 H new ATOM 0 HA ARG A 18 -42.330 -11.329 13.851 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -43.095 -11.419 16.228 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -43.928 -9.890 16.027 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -45.381 -10.875 14.261 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -44.505 -12.390 14.350 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -45.992 -11.130 16.707 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -46.662 -12.384 15.682 1.00 0.00 H new ATOM 0 HE ARG A 18 -44.151 -13.355 16.584 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -44.087 -14.725 18.394 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -45.417 -14.726 19.556 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -47.250 -12.295 17.839 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -47.194 -13.362 19.245 1.00 0.00 H new ATOM 269 N THR A 19 -43.920 -10.139 12.301 1.00 0.00 N ATOM 270 CA THR A 19 -44.654 -9.385 11.287 1.00 0.00 C ATOM 271 C THR A 19 -46.143 -9.346 11.631 1.00 0.00 C ATOM 272 O THR A 19 -46.840 -10.362 11.571 1.00 0.00 O ATOM 273 CB THR A 19 -44.463 -10.045 9.919 1.00 0.00 C ATOM 274 OG1 THR A 19 -43.076 -10.091 9.609 1.00 0.00 O ATOM 275 CG2 THR A 19 -45.193 -9.231 8.851 1.00 0.00 C ATOM 0 H THR A 19 -43.854 -11.141 12.122 1.00 0.00 H new ATOM 0 HA THR A 19 -44.270 -8.365 11.259 1.00 0.00 H new ATOM 0 HB THR A 19 -44.868 -11.057 9.944 1.00 0.00 H new ATOM 0 HG1 THR A 19 -42.950 -10.514 8.734 1.00 0.00 H new ATOM 0 HG21 THR A 19 -45.056 -9.702 7.878 1.00 0.00 H new ATOM 0 HG22 THR A 19 -46.256 -9.190 9.088 1.00 0.00 H new ATOM 0 HG23 THR A 19 -44.788 -8.219 8.825 1.00 0.00 H new ATOM 283 N GLU A 20 -46.629 -8.164 11.987 1.00 0.00 N ATOM 284 CA GLU A 20 -48.033 -8.004 12.338 1.00 0.00 C ATOM 285 C GLU A 20 -48.922 -8.202 11.115 1.00 0.00 C ATOM 286 O GLU A 20 -48.625 -7.703 10.029 1.00 0.00 O ATOM 287 CB GLU A 20 -48.264 -6.614 12.930 1.00 0.00 C ATOM 288 CG GLU A 20 -47.954 -5.550 11.874 1.00 0.00 C ATOM 289 CD GLU A 20 -47.998 -4.162 12.503 1.00 0.00 C ATOM 290 OE1 GLU A 20 -48.212 -4.082 13.700 1.00 0.00 O ATOM 291 OE2 GLU A 20 -47.818 -3.199 11.775 1.00 0.00 O ATOM 0 H GLU A 20 -46.076 -7.308 12.040 1.00 0.00 H new ATOM 0 HA GLU A 20 -48.293 -8.760 13.079 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -49.296 -6.518 13.266 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -47.629 -6.470 13.804 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -46.970 -5.731 11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -48.676 -5.612 11.060 1.00 0.00 H new ATOM 298 N GLY A 21 -50.019 -8.930 11.303 1.00 0.00 N ATOM 299 CA GLY A 21 -50.962 -9.194 10.219 1.00 0.00 C ATOM 300 C GLY A 21 -50.590 -10.466 9.464 1.00 0.00 C ATOM 301 O GLY A 21 -51.378 -10.974 8.667 1.00 0.00 O ATOM 0 H GLY A 21 -50.278 -9.348 12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -51.969 -9.290 10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -50.975 -8.349 9.530 1.00 0.00 H new ATOM 305 N LYS A 22 -49.388 -10.985 9.720 1.00 0.00 N ATOM 306 CA LYS A 22 -48.931 -12.206 9.058 1.00 0.00 C ATOM 307 C LYS A 22 -48.092 -13.048 10.003 1.00 0.00 C ATOM 308 O LYS A 22 -47.550 -12.545 10.985 1.00 0.00 O ATOM 309 CB LYS A 22 -48.116 -11.855 7.816 1.00 0.00 C ATOM 310 CG LYS A 22 -49.042 -11.251 6.754 1.00 0.00 C ATOM 311 CD LYS A 22 -48.293 -11.086 5.427 1.00 0.00 C ATOM 312 CE LYS A 22 -47.283 -9.938 5.528 1.00 0.00 C ATOM 313 NZ LYS A 22 -46.699 -9.675 4.182 1.00 0.00 N ATOM 0 H LYS A 22 -48.719 -10.582 10.376 1.00 0.00 H new ATOM 0 HA LYS A 22 -49.807 -12.784 8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -47.328 -11.147 8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -47.628 -12.747 7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -49.911 -11.893 6.612 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -49.413 -10.284 7.093 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -47.777 -12.013 5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -49.002 -10.887 4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -47.772 -9.040 5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -46.494 -10.194 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -46.077 -8.843 4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -46.148 -10.502 3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -47.464 -9.497 3.500 1.00 0.00 H new ATOM 327 N GLU A 23 -47.987 -14.333 9.701 1.00 0.00 N ATOM 328 CA GLU A 23 -47.207 -15.228 10.542 1.00 0.00 C ATOM 329 C GLU A 23 -45.717 -14.875 10.469 1.00 0.00 C ATOM 330 O GLU A 23 -45.240 -14.398 9.441 1.00 0.00 O ATOM 331 CB GLU A 23 -47.430 -16.674 10.086 1.00 0.00 C ATOM 332 CG GLU A 23 -47.044 -16.814 8.614 1.00 0.00 C ATOM 333 CD GLU A 23 -47.299 -18.245 8.154 1.00 0.00 C ATOM 334 OE1 GLU A 23 -47.740 -19.037 8.969 1.00 0.00 O ATOM 335 OE2 GLU A 23 -47.050 -18.526 6.994 1.00 0.00 O ATOM 0 H GLU A 23 -48.425 -14.775 8.892 1.00 0.00 H new ATOM 0 HA GLU A 23 -47.532 -15.118 11.576 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -46.834 -17.354 10.695 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -48.474 -16.953 10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -47.623 -16.117 8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -45.993 -16.559 8.477 1.00 0.00 H new ATOM 342 N PRO A 24 -44.973 -15.100 11.534 1.00 0.00 N ATOM 343 CA PRO A 24 -43.509 -14.796 11.560 1.00 0.00 C ATOM 344 C PRO A 24 -42.719 -15.706 10.616 1.00 0.00 C ATOM 345 O PRO A 24 -42.886 -16.926 10.624 1.00 0.00 O ATOM 346 CB PRO A 24 -43.115 -15.036 13.033 1.00 0.00 C ATOM 347 CG PRO A 24 -44.147 -15.981 13.563 1.00 0.00 C ATOM 348 CD PRO A 24 -45.441 -15.647 12.821 1.00 0.00 C ATOM 0 HA PRO A 24 -43.289 -13.784 11.220 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -42.114 -15.462 13.109 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -43.108 -14.103 13.596 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -43.854 -17.017 13.390 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -44.271 -15.860 14.639 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -46.061 -16.532 12.678 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -46.042 -14.922 13.370 1.00 0.00 H new ATOM 356 N ASP A 25 -41.849 -15.095 9.813 1.00 0.00 N ATOM 357 CA ASP A 25 -41.017 -15.841 8.869 1.00 0.00 C ATOM 358 C ASP A 25 -39.672 -16.167 9.500 1.00 0.00 C ATOM 359 O ASP A 25 -39.356 -15.682 10.587 1.00 0.00 O ATOM 360 CB ASP A 25 -40.802 -15.022 7.597 1.00 0.00 C ATOM 361 CG ASP A 25 -42.151 -14.702 6.967 1.00 0.00 C ATOM 362 OD1 ASP A 25 -42.973 -15.599 6.894 1.00 0.00 O ATOM 363 OD2 ASP A 25 -42.343 -13.565 6.571 1.00 0.00 O ATOM 0 H ASP A 25 -41.702 -14.086 9.797 1.00 0.00 H new ATOM 0 HA ASP A 25 -41.527 -16.770 8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -40.270 -14.100 7.831 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -40.183 -15.578 6.894 1.00 0.00 H new ATOM 368 N ILE A 26 -38.870 -16.980 8.812 1.00 0.00 N ATOM 369 CA ILE A 26 -37.551 -17.352 9.322 1.00 0.00 C ATOM 370 C ILE A 26 -36.468 -16.810 8.384 1.00 0.00 C ATOM 371 O ILE A 26 -36.073 -17.483 7.430 1.00 0.00 O ATOM 372 CB ILE A 26 -37.443 -18.874 9.406 1.00 0.00 C ATOM 373 CG1 ILE A 26 -38.631 -19.420 10.214 1.00 0.00 C ATOM 374 CG2 ILE A 26 -36.125 -19.267 10.081 1.00 0.00 C ATOM 375 CD1 ILE A 26 -38.692 -18.779 11.612 1.00 0.00 C ATOM 0 H ILE A 26 -39.108 -17.390 7.909 1.00 0.00 H new ATOM 0 HA ILE A 26 -37.415 -16.927 10.316 1.00 0.00 H new ATOM 0 HB ILE A 26 -37.461 -19.297 8.402 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -39.560 -19.222 9.679 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -38.543 -20.502 10.310 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -36.055 -20.353 10.137 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -35.289 -18.879 9.500 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -36.092 -18.849 11.087 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -39.542 -19.184 12.161 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -37.772 -18.999 12.154 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -38.805 -17.699 11.513 1.00 0.00 H new ATOM 387 N PRO A 27 -35.984 -15.614 8.636 1.00 0.00 N ATOM 388 CA PRO A 27 -34.927 -14.984 7.801 1.00 0.00 C ATOM 389 C PRO A 27 -33.535 -15.485 8.166 1.00 0.00 C ATOM 390 O PRO A 27 -33.156 -15.504 9.337 1.00 0.00 O ATOM 391 CB PRO A 27 -35.087 -13.488 8.101 1.00 0.00 C ATOM 392 CG PRO A 27 -35.625 -13.424 9.501 1.00 0.00 C ATOM 393 CD PRO A 27 -36.398 -14.728 9.744 1.00 0.00 C ATOM 0 HA PRO A 27 -35.032 -15.221 6.742 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -34.133 -12.966 8.021 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -35.769 -13.015 7.395 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -34.814 -13.316 10.221 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -36.278 -12.560 9.624 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -36.151 -15.162 10.713 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -37.475 -14.559 9.736 1.00 0.00 H new ATOM 401 N LEU A 28 -32.769 -15.881 7.155 1.00 0.00 N ATOM 402 CA LEU A 28 -31.413 -16.367 7.382 1.00 0.00 C ATOM 403 C LEU A 28 -30.474 -15.830 6.302 1.00 0.00 C ATOM 404 O LEU A 28 -30.733 -15.990 5.110 1.00 0.00 O ATOM 405 CB LEU A 28 -31.395 -17.895 7.369 1.00 0.00 C ATOM 406 CG LEU A 28 -30.045 -18.397 7.904 1.00 0.00 C ATOM 407 CD1 LEU A 28 -29.925 -18.155 9.425 1.00 0.00 C ATOM 408 CD2 LEU A 28 -29.911 -19.894 7.597 1.00 0.00 C ATOM 0 H LEU A 28 -33.061 -15.875 6.178 1.00 0.00 H new ATOM 0 HA LEU A 28 -31.073 -16.014 8.356 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -32.208 -18.284 7.982 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -31.556 -18.262 6.355 1.00 0.00 H new ATOM 0 HG LEU A 28 -29.244 -17.844 7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -28.960 -18.520 9.776 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -30.006 -17.088 9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -30.724 -18.686 9.942 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -28.955 -20.258 7.973 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -30.723 -20.438 8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -29.960 -20.050 6.519 1.00 0.00 H new ATOM 420 N TYR A 29 -29.381 -15.198 6.726 1.00 0.00 N ATOM 421 CA TYR A 29 -28.409 -14.649 5.781 1.00 0.00 C ATOM 422 C TYR A 29 -27.334 -15.685 5.469 1.00 0.00 C ATOM 423 O TYR A 29 -26.737 -16.264 6.376 1.00 0.00 O ATOM 424 CB TYR A 29 -27.752 -13.402 6.375 1.00 0.00 C ATOM 425 CG TYR A 29 -27.042 -13.769 7.657 1.00 0.00 C ATOM 426 CD1 TYR A 29 -25.708 -14.193 7.623 1.00 0.00 C ATOM 427 CD2 TYR A 29 -27.717 -13.680 8.881 1.00 0.00 C ATOM 428 CE1 TYR A 29 -25.048 -14.529 8.811 1.00 0.00 C ATOM 429 CE2 TYR A 29 -27.057 -14.017 10.071 1.00 0.00 C ATOM 430 CZ TYR A 29 -25.724 -14.442 10.035 1.00 0.00 C ATOM 431 OH TYR A 29 -25.074 -14.773 11.207 1.00 0.00 O ATOM 0 H TYR A 29 -29.147 -15.054 7.708 1.00 0.00 H new ATOM 0 HA TYR A 29 -28.930 -14.384 4.861 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -27.044 -12.977 5.663 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -28.505 -12.639 6.570 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -25.188 -14.261 6.679 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -28.746 -13.352 8.908 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -24.019 -14.855 8.784 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -27.577 -13.949 11.015 1.00 0.00 H new ATOM 0 HH TYR A 29 -25.685 -14.656 11.964 1.00 0.00 H new ATOM 441 N LYS A 30 -27.095 -15.918 4.178 1.00 0.00 N ATOM 442 CA LYS A 30 -26.095 -16.889 3.752 1.00 0.00 C ATOM 443 C LYS A 30 -25.499 -16.482 2.409 1.00 0.00 C ATOM 444 O LYS A 30 -26.223 -16.123 1.480 1.00 0.00 O ATOM 445 CB LYS A 30 -26.742 -18.267 3.628 1.00 0.00 C ATOM 446 CG LYS A 30 -25.654 -19.329 3.426 1.00 0.00 C ATOM 447 CD LYS A 30 -26.287 -20.679 3.065 1.00 0.00 C ATOM 448 CE LYS A 30 -26.954 -21.300 4.296 1.00 0.00 C ATOM 449 NZ LYS A 30 -27.438 -22.667 3.955 1.00 0.00 N ATOM 0 H LYS A 30 -27.580 -15.448 3.414 1.00 0.00 H new ATOM 0 HA LYS A 30 -25.298 -16.923 4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -27.321 -18.490 4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -27.437 -18.279 2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -24.973 -19.016 2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -25.061 -19.429 4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -27.024 -20.543 2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.524 -21.354 2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.245 -21.348 5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -27.787 -20.678 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.892 -23.093 4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -28.127 -22.608 3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.634 -23.257 3.660 1.00 0.00 H new ATOM 463 N THR A 31 -24.179 -16.552 2.310 1.00 0.00 N ATOM 464 CA THR A 31 -23.497 -16.201 1.071 1.00 0.00 C ATOM 465 C THR A 31 -24.049 -17.019 -0.091 1.00 0.00 C ATOM 466 O THR A 31 -24.230 -18.231 0.025 1.00 0.00 O ATOM 467 CB THR A 31 -22.000 -16.466 1.210 1.00 0.00 C ATOM 468 OG1 THR A 31 -21.415 -16.541 -0.082 1.00 0.00 O ATOM 469 CG2 THR A 31 -21.784 -17.782 1.957 1.00 0.00 C ATOM 0 H THR A 31 -23.562 -16.846 3.067 1.00 0.00 H new ATOM 0 HA THR A 31 -23.664 -15.143 0.872 1.00 0.00 H new ATOM 0 HB THR A 31 -21.532 -15.656 1.770 1.00 0.00 H new ATOM 0 HG1 THR A 31 -20.748 -17.259 -0.098 1.00 0.00 H new ATOM 0 HG21 THR A 31 -20.715 -17.972 2.057 1.00 0.00 H new ATOM 0 HG22 THR A 31 -22.235 -17.717 2.947 1.00 0.00 H new ATOM 0 HG23 THR A 31 -22.247 -18.597 1.400 1.00 0.00 H new ATOM 477 N LEU A 32 -24.320 -16.350 -1.208 1.00 0.00 N ATOM 478 CA LEU A 32 -24.859 -17.027 -2.386 1.00 0.00 C ATOM 479 C LEU A 32 -23.732 -17.503 -3.297 1.00 0.00 C ATOM 480 O LEU A 32 -23.741 -18.637 -3.773 1.00 0.00 O ATOM 481 CB LEU A 32 -25.760 -16.060 -3.160 1.00 0.00 C ATOM 482 CG LEU A 32 -26.870 -15.532 -2.240 1.00 0.00 C ATOM 483 CD1 LEU A 32 -27.734 -14.529 -3.015 1.00 0.00 C ATOM 484 CD2 LEU A 32 -27.745 -16.694 -1.739 1.00 0.00 C ATOM 0 H LEU A 32 -24.177 -15.347 -1.323 1.00 0.00 H new ATOM 0 HA LEU A 32 -25.434 -17.893 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -25.170 -15.229 -3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -26.198 -16.567 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 32 -26.418 -15.040 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -28.524 -14.151 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -27.114 -13.699 -3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -28.179 -15.023 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -28.528 -16.305 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -28.199 -17.201 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -27.128 -17.400 -1.183 1.00 0.00 H new ATOM 496 N GLN A 33 -22.768 -16.625 -3.540 1.00 0.00 N ATOM 497 CA GLN A 33 -21.643 -16.966 -4.402 1.00 0.00 C ATOM 498 C GLN A 33 -20.504 -15.972 -4.213 1.00 0.00 C ATOM 499 O GLN A 33 -20.690 -14.899 -3.636 1.00 0.00 O ATOM 500 CB GLN A 33 -22.087 -16.976 -5.865 1.00 0.00 C ATOM 501 CG GLN A 33 -22.598 -15.590 -6.255 1.00 0.00 C ATOM 502 CD GLN A 33 -23.168 -15.625 -7.669 1.00 0.00 C ATOM 503 OE1 GLN A 33 -23.088 -16.650 -8.346 1.00 0.00 O ATOM 504 NE2 GLN A 33 -23.746 -14.561 -8.153 1.00 0.00 N ATOM 0 H GLN A 33 -22.741 -15.680 -3.157 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.288 -17.960 -4.129 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -21.253 -17.261 -6.507 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -22.871 -17.719 -6.013 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -23.365 -15.265 -5.552 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -21.786 -14.865 -6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -23.810 -13.714 -7.588 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -24.134 -14.576 -9.096 1.00 0.00 H new ATOM 513 N THR A 34 -19.322 -16.337 -4.703 1.00 0.00 N ATOM 514 CA THR A 34 -18.150 -15.470 -4.591 1.00 0.00 C ATOM 515 C THR A 34 -18.051 -14.558 -5.813 1.00 0.00 C ATOM 516 O THR A 34 -18.442 -14.938 -6.916 1.00 0.00 O ATOM 517 CB THR A 34 -16.877 -16.313 -4.476 1.00 0.00 C ATOM 518 OG1 THR A 34 -15.777 -15.464 -4.176 1.00 0.00 O ATOM 519 CG2 THR A 34 -16.618 -17.033 -5.801 1.00 0.00 C ATOM 0 H THR A 34 -19.150 -17.222 -5.179 1.00 0.00 H new ATOM 0 HA THR A 34 -18.256 -14.859 -3.695 1.00 0.00 H new ATOM 0 HB THR A 34 -16.998 -17.050 -3.682 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.102 -14.649 -3.740 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.712 -17.633 -5.718 1.00 0.00 H new ATOM 0 HG22 THR A 34 -17.462 -17.682 -6.034 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.495 -16.298 -6.597 1.00 0.00 H new ATOM 527 N VAL A 35 -17.535 -13.346 -5.599 1.00 0.00 N ATOM 528 CA VAL A 35 -17.391 -12.361 -6.674 1.00 0.00 C ATOM 529 C VAL A 35 -15.967 -11.815 -6.716 1.00 0.00 C ATOM 530 O VAL A 35 -15.277 -11.764 -5.694 1.00 0.00 O ATOM 531 CB VAL A 35 -18.374 -11.208 -6.469 1.00 0.00 C ATOM 532 CG1 VAL A 35 -18.209 -10.195 -7.602 1.00 0.00 C ATOM 533 CG2 VAL A 35 -19.805 -11.754 -6.480 1.00 0.00 C ATOM 0 H VAL A 35 -17.209 -13.022 -4.688 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.607 -12.856 -7.621 1.00 0.00 H new ATOM 0 HB VAL A 35 -18.175 -10.723 -5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -18.909 -9.372 -7.459 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.189 -9.809 -7.600 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -18.411 -10.681 -8.557 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -20.508 -10.934 -6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -20.003 -12.236 -7.437 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.923 -12.481 -5.676 1.00 0.00 H new ATOM 543 N GLY A 36 -15.527 -11.426 -7.910 1.00 0.00 N ATOM 544 CA GLY A 36 -14.181 -10.901 -8.088 1.00 0.00 C ATOM 545 C GLY A 36 -13.129 -11.999 -7.926 1.00 0.00 C ATOM 546 O GLY A 36 -12.093 -11.787 -7.299 1.00 0.00 O ATOM 0 H GLY A 36 -16.083 -11.465 -8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -14.092 -10.452 -9.077 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.998 -10.110 -7.361 1.00 0.00 H new ATOM 550 N PRO A 37 -13.378 -13.164 -8.476 1.00 0.00 N ATOM 551 CA PRO A 37 -12.429 -14.319 -8.384 1.00 0.00 C ATOM 552 C PRO A 37 -11.114 -14.036 -9.113 1.00 0.00 C ATOM 553 O PRO A 37 -10.094 -14.672 -8.845 1.00 0.00 O ATOM 554 CB PRO A 37 -13.203 -15.477 -9.043 1.00 0.00 C ATOM 555 CG PRO A 37 -14.185 -14.814 -9.953 1.00 0.00 C ATOM 556 CD PRO A 37 -14.580 -13.513 -9.256 1.00 0.00 C ATOM 0 HA PRO A 37 -12.135 -14.537 -7.357 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.533 -16.135 -9.597 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.708 -16.090 -8.296 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.743 -14.617 -10.929 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.055 -15.449 -10.120 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -14.833 -12.733 -9.974 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -15.450 -13.649 -8.614 1.00 0.00 H new ATOM 564 N SER A 38 -11.149 -13.084 -10.041 1.00 0.00 N ATOM 565 CA SER A 38 -9.955 -12.737 -10.805 1.00 0.00 C ATOM 566 C SER A 38 -8.864 -12.183 -9.893 1.00 0.00 C ATOM 567 O SER A 38 -7.677 -12.265 -10.211 1.00 0.00 O ATOM 568 CB SER A 38 -10.303 -11.697 -11.869 1.00 0.00 C ATOM 569 OG SER A 38 -10.707 -10.491 -11.235 1.00 0.00 O ATOM 0 H SER A 38 -11.981 -12.545 -10.280 1.00 0.00 H new ATOM 0 HA SER A 38 -9.583 -13.643 -11.283 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.440 -11.513 -12.509 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.102 -12.069 -12.510 1.00 0.00 H new ATOM 0 HG SER A 38 -10.212 -9.738 -11.619 1.00 0.00 H new ATOM 575 N HIS A 39 -9.275 -11.614 -8.759 1.00 0.00 N ATOM 576 CA HIS A 39 -8.331 -11.036 -7.800 1.00 0.00 C ATOM 577 C HIS A 39 -8.691 -11.447 -6.376 1.00 0.00 C ATOM 578 O HIS A 39 -8.609 -12.622 -6.018 1.00 0.00 O ATOM 579 CB HIS A 39 -8.343 -9.509 -7.922 1.00 0.00 C ATOM 580 CG HIS A 39 -9.763 -9.013 -7.875 1.00 0.00 C ATOM 581 ND1 HIS A 39 -10.638 -9.184 -8.936 1.00 0.00 N ATOM 582 CD2 HIS A 39 -10.474 -8.344 -6.907 1.00 0.00 C ATOM 583 CE1 HIS A 39 -11.814 -8.631 -8.586 1.00 0.00 C ATOM 584 NE2 HIS A 39 -11.769 -8.105 -7.360 1.00 0.00 N ATOM 0 H HIS A 39 -10.254 -11.541 -8.482 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.332 -11.410 -8.024 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.764 -9.064 -7.112 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.871 -9.204 -8.856 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -10.429 -9.645 -9.821 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.087 -8.049 -5.943 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.688 -8.615 -9.220 1.00 0.00 H new ATOM 592 N ALA A 40 -9.089 -10.474 -5.564 1.00 0.00 N ATOM 593 CA ALA A 40 -9.452 -10.749 -4.182 1.00 0.00 C ATOM 594 C ALA A 40 -10.808 -11.440 -4.126 1.00 0.00 C ATOM 595 O ALA A 40 -11.725 -11.095 -4.872 1.00 0.00 O ATOM 596 CB ALA A 40 -9.506 -9.441 -3.390 1.00 0.00 C ATOM 0 H ALA A 40 -9.168 -9.495 -5.838 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.700 -11.405 -3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.778 -9.653 -2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.529 -8.959 -3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.250 -8.778 -3.833 1.00 0.00 H new ATOM 602 N ARG A 41 -10.925 -12.422 -3.241 1.00 0.00 N ATOM 603 CA ARG A 41 -12.168 -13.164 -3.097 1.00 0.00 C ATOM 604 C ARG A 41 -13.154 -12.390 -2.233 1.00 0.00 C ATOM 605 O ARG A 41 -12.833 -11.991 -1.113 1.00 0.00 O ATOM 606 CB ARG A 41 -11.879 -14.521 -2.452 1.00 0.00 C ATOM 607 CG ARG A 41 -10.919 -15.342 -3.328 1.00 0.00 C ATOM 608 CD ARG A 41 -11.683 -16.029 -4.467 1.00 0.00 C ATOM 609 NE ARG A 41 -12.671 -16.949 -3.913 1.00 0.00 N ATOM 610 CZ ARG A 41 -12.335 -18.184 -3.554 1.00 0.00 C ATOM 611 NH1 ARG A 41 -13.233 -18.985 -3.051 1.00 0.00 N ATOM 612 NH2 ARG A 41 -11.104 -18.589 -3.701 1.00 0.00 N ATOM 0 H ARG A 41 -10.177 -12.721 -2.615 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.607 -13.310 -4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.443 -14.375 -1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.811 -15.069 -2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.148 -14.691 -3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.412 -16.091 -2.719 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.176 -15.282 -5.089 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.988 -16.570 -5.109 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.636 -16.639 -3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.194 -18.664 -2.933 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.974 -19.933 -2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.403 -17.959 -4.090 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.842 -19.536 -3.427 1.00 0.00 H new ATOM 626 N THR A 42 -14.365 -12.195 -2.756 1.00 0.00 N ATOM 627 CA THR A 42 -15.409 -11.483 -2.023 1.00 0.00 C ATOM 628 C THR A 42 -16.668 -12.334 -1.974 1.00 0.00 C ATOM 629 O THR A 42 -16.936 -13.110 -2.889 1.00 0.00 O ATOM 630 CB THR A 42 -15.713 -10.150 -2.714 1.00 0.00 C ATOM 631 OG1 THR A 42 -16.207 -10.398 -4.023 1.00 0.00 O ATOM 632 CG2 THR A 42 -14.434 -9.319 -2.800 1.00 0.00 C ATOM 0 H THR A 42 -14.645 -12.519 -3.681 1.00 0.00 H new ATOM 0 HA THR A 42 -15.065 -11.288 -1.007 1.00 0.00 H new ATOM 0 HB THR A 42 -16.462 -9.605 -2.141 1.00 0.00 H new ATOM 0 HG1 THR A 42 -15.470 -10.685 -4.602 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.649 -8.370 -3.292 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.055 -9.130 -1.796 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.684 -9.863 -3.374 1.00 0.00 H new ATOM 640 N TYR A 43 -17.434 -12.182 -0.899 1.00 0.00 N ATOM 641 CA TYR A 43 -18.670 -12.938 -0.720 1.00 0.00 C ATOM 642 C TYR A 43 -19.877 -12.030 -0.894 1.00 0.00 C ATOM 643 O TYR A 43 -19.869 -10.876 -0.462 1.00 0.00 O ATOM 644 CB TYR A 43 -18.701 -13.561 0.678 1.00 0.00 C ATOM 645 CG TYR A 43 -17.643 -14.635 0.774 1.00 0.00 C ATOM 646 CD1 TYR A 43 -16.369 -14.325 1.267 1.00 0.00 C ATOM 647 CD2 TYR A 43 -17.938 -15.941 0.367 1.00 0.00 C ATOM 648 CE1 TYR A 43 -15.391 -15.324 1.353 1.00 0.00 C ATOM 649 CE2 TYR A 43 -16.961 -16.939 0.454 1.00 0.00 C ATOM 650 CZ TYR A 43 -15.688 -16.631 0.946 1.00 0.00 C ATOM 651 OH TYR A 43 -14.724 -17.616 1.031 1.00 0.00 O ATOM 0 H TYR A 43 -17.220 -11.540 -0.136 1.00 0.00 H new ATOM 0 HA TYR A 43 -18.706 -13.726 -1.472 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -18.526 -12.795 1.433 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -19.685 -13.986 0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -16.141 -13.317 1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -18.920 -16.179 -0.014 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.408 -15.087 1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -17.190 -17.947 0.141 1.00 0.00 H new ATOM 0 HH TYR A 43 -15.094 -18.465 0.710 1.00 0.00 H new ATOM 661 N THR A 44 -20.922 -12.560 -1.528 1.00 0.00 N ATOM 662 CA THR A 44 -22.149 -11.798 -1.753 1.00 0.00 C ATOM 663 C THR A 44 -23.239 -12.285 -0.807 1.00 0.00 C ATOM 664 O THR A 44 -23.569 -13.471 -0.780 1.00 0.00 O ATOM 665 CB THR A 44 -22.614 -11.976 -3.201 1.00 0.00 C ATOM 666 OG1 THR A 44 -21.608 -11.494 -4.081 1.00 0.00 O ATOM 667 CG2 THR A 44 -23.911 -11.192 -3.421 1.00 0.00 C ATOM 0 H THR A 44 -20.944 -13.512 -1.894 1.00 0.00 H new ATOM 0 HA THR A 44 -21.951 -10.743 -1.565 1.00 0.00 H new ATOM 0 HB THR A 44 -22.794 -13.032 -3.400 1.00 0.00 H new ATOM 0 HG1 THR A 44 -22.010 -10.885 -4.735 1.00 0.00 H new ATOM 0 HG21 THR A 44 -24.242 -11.319 -4.452 1.00 0.00 H new ATOM 0 HG22 THR A 44 -24.680 -11.564 -2.744 1.00 0.00 H new ATOM 0 HG23 THR A 44 -23.735 -10.135 -3.224 1.00 0.00 H new ATOM 675 N VAL A 45 -23.792 -11.357 -0.029 1.00 0.00 N ATOM 676 CA VAL A 45 -24.849 -11.683 0.930 1.00 0.00 C ATOM 677 C VAL A 45 -26.102 -10.870 0.635 1.00 0.00 C ATOM 678 O VAL A 45 -26.050 -9.645 0.522 1.00 0.00 O ATOM 679 CB VAL A 45 -24.371 -11.378 2.351 1.00 0.00 C ATOM 680 CG1 VAL A 45 -25.495 -11.686 3.342 1.00 0.00 C ATOM 681 CG2 VAL A 45 -23.153 -12.244 2.675 1.00 0.00 C ATOM 0 H VAL A 45 -23.527 -10.372 -0.043 1.00 0.00 H new ATOM 0 HA VAL A 45 -25.084 -12.744 0.841 1.00 0.00 H new ATOM 0 HB VAL A 45 -24.098 -10.325 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -25.156 -11.469 4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -26.364 -11.070 3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -25.767 -12.739 3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -22.812 -12.028 3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -23.425 -13.297 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -22.353 -12.026 1.968 1.00 0.00 H new ATOM 691 N ALA A 46 -27.233 -11.563 0.521 1.00 0.00 N ATOM 692 CA ALA A 46 -28.511 -10.909 0.247 1.00 0.00 C ATOM 693 C ALA A 46 -29.590 -11.477 1.159 1.00 0.00 C ATOM 694 O ALA A 46 -29.826 -12.685 1.186 1.00 0.00 O ATOM 695 CB ALA A 46 -28.905 -11.127 -1.217 1.00 0.00 C ATOM 0 H ALA A 46 -27.291 -12.577 0.614 1.00 0.00 H new ATOM 0 HA ALA A 46 -28.410 -9.840 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -29.858 -10.637 -1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -28.139 -10.704 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -28.999 -12.195 -1.413 1.00 0.00 H new ATOM 701 N VAL A 47 -30.238 -10.589 1.908 1.00 0.00 N ATOM 702 CA VAL A 47 -31.292 -10.995 2.831 1.00 0.00 C ATOM 703 C VAL A 47 -32.636 -11.037 2.114 1.00 0.00 C ATOM 704 O VAL A 47 -33.015 -10.087 1.427 1.00 0.00 O ATOM 705 CB VAL A 47 -31.367 -10.018 4.005 1.00 0.00 C ATOM 706 CG1 VAL A 47 -32.500 -10.443 4.944 1.00 0.00 C ATOM 707 CG2 VAL A 47 -30.039 -10.034 4.766 1.00 0.00 C ATOM 0 H VAL A 47 -30.052 -9.586 1.894 1.00 0.00 H new ATOM 0 HA VAL A 47 -31.059 -11.991 3.207 1.00 0.00 H new ATOM 0 HB VAL A 47 -31.559 -9.012 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -32.557 -9.749 5.783 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -33.445 -10.435 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -32.305 -11.448 5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -30.091 -9.338 5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -29.847 -11.039 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -29.232 -9.736 4.096 1.00 0.00 H new ATOM 717 N TYR A 48 -33.358 -12.144 2.282 1.00 0.00 N ATOM 718 CA TYR A 48 -34.668 -12.310 1.654 1.00 0.00 C ATOM 719 C TYR A 48 -35.765 -12.248 2.705 1.00 0.00 C ATOM 720 O TYR A 48 -35.609 -12.768 3.808 1.00 0.00 O ATOM 721 CB TYR A 48 -34.733 -13.655 0.927 1.00 0.00 C ATOM 722 CG TYR A 48 -34.399 -14.769 1.892 1.00 0.00 C ATOM 723 CD1 TYR A 48 -35.405 -15.338 2.681 1.00 0.00 C ATOM 724 CD2 TYR A 48 -33.082 -15.234 1.992 1.00 0.00 C ATOM 725 CE1 TYR A 48 -35.093 -16.375 3.570 1.00 0.00 C ATOM 726 CE2 TYR A 48 -32.772 -16.269 2.881 1.00 0.00 C ATOM 727 CZ TYR A 48 -33.777 -16.840 3.670 1.00 0.00 C ATOM 728 OH TYR A 48 -33.471 -17.860 4.546 1.00 0.00 O ATOM 0 H TYR A 48 -33.058 -12.939 2.847 1.00 0.00 H new ATOM 0 HA TYR A 48 -34.815 -11.504 0.935 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -35.729 -13.807 0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -34.034 -13.662 0.091 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -36.420 -14.978 2.605 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -32.306 -14.794 1.383 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -35.869 -16.816 4.179 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -31.756 -16.628 2.958 1.00 0.00 H new ATOM 0 HH TYR A 48 -32.588 -18.224 4.328 1.00 0.00 H new ATOM 738 N PHE A 49 -36.876 -11.606 2.357 1.00 0.00 N ATOM 739 CA PHE A 49 -37.995 -11.478 3.285 1.00 0.00 C ATOM 740 C PHE A 49 -39.312 -11.542 2.524 1.00 0.00 C ATOM 741 O PHE A 49 -39.493 -10.858 1.517 1.00 0.00 O ATOM 742 CB PHE A 49 -37.884 -10.144 4.047 1.00 0.00 C ATOM 743 CG PHE A 49 -38.610 -10.250 5.372 1.00 0.00 C ATOM 744 CD1 PHE A 49 -38.126 -11.132 6.343 1.00 0.00 C ATOM 745 CD2 PHE A 49 -39.752 -9.478 5.632 1.00 0.00 C ATOM 746 CE1 PHE A 49 -38.779 -11.250 7.573 1.00 0.00 C ATOM 747 CE2 PHE A 49 -40.405 -9.596 6.869 1.00 0.00 C ATOM 748 CZ PHE A 49 -39.919 -10.483 7.837 1.00 0.00 C ATOM 0 H PHE A 49 -37.025 -11.170 1.447 1.00 0.00 H new ATOM 0 HA PHE A 49 -37.966 -12.300 4.000 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -36.836 -9.896 4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -38.311 -9.337 3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -37.245 -11.724 6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -40.127 -8.796 4.884 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -38.403 -11.934 8.320 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -41.283 -9.002 7.074 1.00 0.00 H new ATOM 0 HZ PHE A 49 -40.424 -10.575 8.787 1.00 0.00 H new ATOM 758 N LYS A 50 -40.222 -12.380 3.006 1.00 0.00 N ATOM 759 CA LYS A 50 -41.522 -12.538 2.361 1.00 0.00 C ATOM 760 C LYS A 50 -41.353 -12.907 0.894 1.00 0.00 C ATOM 761 O LYS A 50 -42.233 -12.642 0.075 1.00 0.00 O ATOM 762 CB LYS A 50 -42.329 -11.240 2.459 1.00 0.00 C ATOM 763 CG LYS A 50 -42.692 -10.964 3.926 1.00 0.00 C ATOM 764 CD LYS A 50 -43.721 -9.812 4.034 1.00 0.00 C ATOM 765 CE LYS A 50 -43.003 -8.468 4.224 1.00 0.00 C ATOM 766 NZ LYS A 50 -42.056 -8.248 3.095 1.00 0.00 N ATOM 0 H LYS A 50 -40.086 -12.958 3.836 1.00 0.00 H new ATOM 0 HA LYS A 50 -42.055 -13.338 2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -41.750 -10.409 2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -43.235 -11.318 1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -43.102 -11.867 4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -41.792 -10.707 4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -44.335 -9.779 3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -44.393 -9.994 4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -43.731 -7.657 4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -42.464 -8.462 5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -41.788 -7.244 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -41.205 -8.829 3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -42.513 -8.518 2.201 1.00 0.00 H new ATOM 780 N GLY A 51 -40.228 -13.530 0.569 1.00 0.00 N ATOM 781 CA GLY A 51 -39.968 -13.939 -0.804 1.00 0.00 C ATOM 782 C GLY A 51 -39.458 -12.773 -1.648 1.00 0.00 C ATOM 783 O GLY A 51 -39.452 -12.844 -2.876 1.00 0.00 O ATOM 0 H GLY A 51 -39.487 -13.761 1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -39.233 -14.744 -0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -40.882 -14.337 -1.246 1.00 0.00 H new ATOM 787 N GLU A 52 -39.031 -11.697 -0.982 1.00 0.00 N ATOM 788 CA GLU A 52 -38.519 -10.516 -1.682 1.00 0.00 C ATOM 789 C GLU A 52 -37.250 -10.007 -1.004 1.00 0.00 C ATOM 790 O GLU A 52 -37.161 -9.969 0.223 1.00 0.00 O ATOM 791 CB GLU A 52 -39.582 -9.415 -1.688 1.00 0.00 C ATOM 792 CG GLU A 52 -40.837 -9.923 -2.401 1.00 0.00 C ATOM 793 CD GLU A 52 -41.845 -8.789 -2.550 1.00 0.00 C ATOM 794 OE1 GLU A 52 -41.499 -7.794 -3.167 1.00 0.00 O ATOM 795 OE2 GLU A 52 -42.949 -8.932 -2.050 1.00 0.00 O ATOM 0 H GLU A 52 -39.029 -11.619 0.035 1.00 0.00 H new ATOM 0 HA GLU A 52 -38.281 -10.792 -2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -39.824 -9.123 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -39.199 -8.527 -2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -40.573 -10.318 -3.382 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -41.280 -10.743 -1.836 1.00 0.00 H new ATOM 802 N ARG A 53 -36.271 -9.616 -1.816 1.00 0.00 N ATOM 803 CA ARG A 53 -35.012 -9.108 -1.300 1.00 0.00 C ATOM 804 C ARG A 53 -35.227 -7.769 -0.632 1.00 0.00 C ATOM 805 O ARG A 53 -35.929 -6.910 -1.167 1.00 0.00 O ATOM 806 CB ARG A 53 -33.998 -8.965 -2.436 1.00 0.00 C ATOM 807 CG ARG A 53 -33.616 -10.354 -2.950 1.00 0.00 C ATOM 808 CD ARG A 53 -32.592 -10.215 -4.079 1.00 0.00 C ATOM 809 NE ARG A 53 -32.233 -11.530 -4.600 1.00 0.00 N ATOM 810 CZ ARG A 53 -31.342 -11.661 -5.577 1.00 0.00 C ATOM 811 NH1 ARG A 53 -31.042 -12.846 -6.032 1.00 0.00 N ATOM 812 NH2 ARG A 53 -30.769 -10.603 -6.082 1.00 0.00 N ATOM 0 H ARG A 53 -36.330 -9.643 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 53 -34.624 -9.813 -0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -34.422 -8.369 -3.244 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -33.111 -8.439 -2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -33.201 -10.952 -2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -34.502 -10.877 -3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -33.003 -9.599 -4.879 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -31.701 -9.706 -3.711 1.00 0.00 H new ATOM 0 HE ARG A 53 -32.673 -12.362 -4.208 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -31.491 -13.672 -5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -30.358 -12.946 -6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -31.005 -9.677 -5.727 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -30.085 -10.702 -6.832 1.00 0.00 H new ATOM 826 N ILE A 54 -34.618 -7.586 0.534 1.00 0.00 N ATOM 827 CA ILE A 54 -34.750 -6.330 1.267 1.00 0.00 C ATOM 828 C ILE A 54 -33.430 -5.565 1.262 1.00 0.00 C ATOM 829 O ILE A 54 -33.407 -4.353 1.463 1.00 0.00 O ATOM 830 CB ILE A 54 -35.173 -6.612 2.713 1.00 0.00 C ATOM 831 CG1 ILE A 54 -34.131 -7.507 3.402 1.00 0.00 C ATOM 832 CG2 ILE A 54 -36.530 -7.320 2.722 1.00 0.00 C ATOM 833 CD1 ILE A 54 -34.479 -7.653 4.888 1.00 0.00 C ATOM 0 H ILE A 54 -34.032 -8.285 0.990 1.00 0.00 H new ATOM 0 HA ILE A 54 -35.511 -5.723 0.777 1.00 0.00 H new ATOM 0 HB ILE A 54 -35.247 -5.666 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -34.107 -8.487 2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -33.136 -7.075 3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -36.829 -7.520 3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -37.275 -6.684 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -36.453 -8.261 2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -33.739 -8.288 5.374 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -34.480 -6.670 5.360 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -35.466 -8.104 4.988 1.00 0.00 H new ATOM 845 N GLY A 55 -32.335 -6.285 1.035 1.00 0.00 N ATOM 846 CA GLY A 55 -31.008 -5.672 1.019 1.00 0.00 C ATOM 847 C GLY A 55 -29.991 -6.611 0.381 1.00 0.00 C ATOM 848 O GLY A 55 -30.149 -7.834 0.421 1.00 0.00 O ATOM 0 H GLY A 55 -32.339 -7.290 0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -31.042 -4.734 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -30.700 -5.431 2.037 1.00 0.00 H new ATOM 852 N CYS A 56 -28.948 -6.030 -0.206 1.00 0.00 N ATOM 853 CA CYS A 56 -27.902 -6.813 -0.856 1.00 0.00 C ATOM 854 C CYS A 56 -26.567 -6.085 -0.787 1.00 0.00 C ATOM 855 O CYS A 56 -26.483 -4.891 -1.071 1.00 0.00 O ATOM 856 CB CYS A 56 -28.274 -7.068 -2.317 1.00 0.00 C ATOM 857 SG CYS A 56 -26.969 -8.036 -3.115 1.00 0.00 S ATOM 0 H CYS A 56 -28.805 -5.021 -0.245 1.00 0.00 H new ATOM 0 HA CYS A 56 -27.809 -7.765 -0.334 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -29.223 -7.601 -2.374 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -28.409 -6.121 -2.839 1.00 0.00 H new ATOM 0 HG CYS A 56 -27.288 -8.254 -4.356 1.00 0.00 H new ATOM 863 N GLY A 57 -25.524 -6.816 -0.407 1.00 0.00 N ATOM 864 CA GLY A 57 -24.189 -6.237 -0.303 1.00 0.00 C ATOM 865 C GLY A 57 -23.118 -7.310 -0.453 1.00 0.00 C ATOM 866 O GLY A 57 -23.407 -8.506 -0.394 1.00 0.00 O ATOM 0 H GLY A 57 -25.577 -7.806 -0.167 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -24.057 -5.476 -1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.078 -5.739 0.660 1.00 0.00 H new ATOM 870 N LYS A 58 -21.877 -6.874 -0.652 1.00 0.00 N ATOM 871 CA LYS A 58 -20.760 -7.801 -0.813 1.00 0.00 C ATOM 872 C LYS A 58 -19.484 -7.205 -0.238 1.00 0.00 C ATOM 873 O LYS A 58 -19.398 -5.999 -0.010 1.00 0.00 O ATOM 874 CB LYS A 58 -20.560 -8.123 -2.297 1.00 0.00 C ATOM 875 CG LYS A 58 -20.171 -6.851 -3.061 1.00 0.00 C ATOM 876 CD LYS A 58 -20.042 -7.172 -4.550 1.00 0.00 C ATOM 877 CE LYS A 58 -19.562 -5.926 -5.294 1.00 0.00 C ATOM 878 NZ LYS A 58 -20.573 -4.841 -5.152 1.00 0.00 N ATOM 0 H LYS A 58 -21.620 -5.888 -0.706 1.00 0.00 H new ATOM 0 HA LYS A 58 -20.990 -8.719 -0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -19.783 -8.879 -2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -21.476 -8.542 -2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -20.924 -6.077 -2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.228 -6.458 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -19.339 -7.992 -4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -21.002 -7.500 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.603 -5.598 -4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -19.406 -6.156 -6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -20.413 -4.119 -5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -21.527 -5.239 -5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.486 -4.406 -4.211 1.00 0.00 H new ATOM 892 N GLY A 59 -18.495 -8.058 -0.007 1.00 0.00 N ATOM 893 CA GLY A 59 -17.227 -7.598 0.539 1.00 0.00 C ATOM 894 C GLY A 59 -16.274 -8.766 0.776 1.00 0.00 C ATOM 895 O GLY A 59 -16.631 -9.925 0.565 1.00 0.00 O ATOM 0 H GLY A 59 -18.545 -9.061 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -16.770 -6.885 -0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -17.401 -7.071 1.477 1.00 0.00 H new ATOM 899 N PRO A 60 -15.073 -8.482 1.213 1.00 0.00 N ATOM 900 CA PRO A 60 -14.040 -9.528 1.488 1.00 0.00 C ATOM 901 C PRO A 60 -14.442 -10.437 2.651 1.00 0.00 C ATOM 902 O PRO A 60 -13.800 -11.455 2.908 1.00 0.00 O ATOM 903 CB PRO A 60 -12.770 -8.716 1.806 1.00 0.00 C ATOM 904 CG PRO A 60 -13.267 -7.384 2.265 1.00 0.00 C ATOM 905 CD PRO A 60 -14.561 -7.126 1.491 1.00 0.00 C ATOM 0 HA PRO A 60 -13.901 -10.207 0.647 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.174 -9.202 2.578 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.134 -8.618 0.926 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.449 -7.385 3.340 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.532 -6.604 2.067 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -15.270 -6.542 2.078 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -14.375 -6.571 0.572 1.00 0.00 H new ATOM 913 N SER A 61 -15.509 -10.058 3.352 1.00 0.00 N ATOM 914 CA SER A 61 -15.990 -10.842 4.487 1.00 0.00 C ATOM 915 C SER A 61 -17.507 -10.749 4.595 1.00 0.00 C ATOM 916 O SER A 61 -18.110 -9.746 4.217 1.00 0.00 O ATOM 917 CB SER A 61 -15.355 -10.322 5.777 1.00 0.00 C ATOM 918 OG SER A 61 -13.943 -10.459 5.692 1.00 0.00 O ATOM 0 H SER A 61 -16.054 -9.218 3.156 1.00 0.00 H new ATOM 0 HA SER A 61 -15.711 -11.884 4.334 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.622 -9.277 5.932 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.735 -10.879 6.634 1.00 0.00 H new ATOM 0 HG SER A 61 -13.532 -10.125 6.517 1.00 0.00 H new ATOM 924 N LYS A 62 -18.114 -11.808 5.113 1.00 0.00 N ATOM 925 CA LYS A 62 -19.562 -11.846 5.267 1.00 0.00 C ATOM 926 C LYS A 62 -20.032 -10.748 6.210 1.00 0.00 C ATOM 927 O LYS A 62 -21.072 -10.130 5.988 1.00 0.00 O ATOM 928 CB LYS A 62 -19.991 -13.207 5.815 1.00 0.00 C ATOM 929 CG LYS A 62 -19.826 -14.272 4.728 1.00 0.00 C ATOM 930 CD LYS A 62 -19.868 -15.674 5.350 1.00 0.00 C ATOM 931 CE LYS A 62 -21.248 -15.945 5.956 1.00 0.00 C ATOM 932 NZ LYS A 62 -22.294 -15.715 4.921 1.00 0.00 N ATOM 0 H LYS A 62 -17.630 -12.647 5.432 1.00 0.00 H new ATOM 0 HA LYS A 62 -20.016 -11.686 4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -19.389 -13.466 6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -21.029 -13.167 6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -20.618 -14.171 3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -18.880 -14.126 4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -19.643 -16.423 4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -19.102 -15.761 6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -21.302 -16.970 6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -21.417 -15.291 6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -23.086 -16.372 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -22.638 -14.736 4.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -21.889 -15.877 3.977 1.00 0.00 H new ATOM 946 N LYS A 63 -19.268 -10.514 7.265 1.00 0.00 N ATOM 947 CA LYS A 63 -19.629 -9.491 8.236 1.00 0.00 C ATOM 948 C LYS A 63 -19.722 -8.125 7.561 1.00 0.00 C ATOM 949 O LYS A 63 -20.680 -7.381 7.758 1.00 0.00 O ATOM 950 CB LYS A 63 -18.571 -9.456 9.343 1.00 0.00 C ATOM 951 CG LYS A 63 -18.944 -8.391 10.385 1.00 0.00 C ATOM 952 CD LYS A 63 -17.944 -8.398 11.555 1.00 0.00 C ATOM 953 CE LYS A 63 -18.301 -9.499 12.561 1.00 0.00 C ATOM 954 NZ LYS A 63 -19.671 -9.245 13.087 1.00 0.00 N ATOM 0 H LYS A 63 -18.402 -11.012 7.471 1.00 0.00 H new ATOM 0 HA LYS A 63 -20.602 -9.729 8.664 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -18.497 -10.434 9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -17.593 -9.234 8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -18.956 -7.407 9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -19.950 -8.579 10.760 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.934 -8.557 11.177 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.950 -7.428 12.052 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.256 -10.477 12.081 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.580 -9.512 13.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.759 -9.654 14.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -19.840 -8.220 13.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -20.372 -9.683 12.456 1.00 0.00 H new ATOM 968 N GLN A 64 -18.730 -7.803 6.753 1.00 0.00 N ATOM 969 CA GLN A 64 -18.727 -6.526 6.054 1.00 0.00 C ATOM 970 C GLN A 64 -19.886 -6.455 5.064 1.00 0.00 C ATOM 971 O GLN A 64 -20.542 -5.419 4.920 1.00 0.00 O ATOM 972 CB GLN A 64 -17.398 -6.336 5.322 1.00 0.00 C ATOM 973 CG GLN A 64 -17.379 -4.965 4.649 1.00 0.00 C ATOM 974 CD GLN A 64 -16.007 -4.702 4.039 1.00 0.00 C ATOM 975 OE1 GLN A 64 -15.063 -5.453 4.287 1.00 0.00 O ATOM 976 NE2 GLN A 64 -15.838 -3.677 3.252 1.00 0.00 N ATOM 0 H GLN A 64 -17.923 -8.398 6.564 1.00 0.00 H new ATOM 0 HA GLN A 64 -18.849 -5.727 6.786 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -16.569 -6.420 6.024 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.265 -7.121 4.577 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -18.145 -4.920 3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -17.617 -4.190 5.378 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -16.621 -3.056 3.048 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.923 -3.496 2.840 1.00 0.00 H new ATOM 985 N ALA A 65 -20.130 -7.567 4.382 1.00 0.00 N ATOM 986 CA ALA A 65 -21.204 -7.626 3.400 1.00 0.00 C ATOM 987 C ALA A 65 -22.555 -7.393 4.059 1.00 0.00 C ATOM 988 O ALA A 65 -23.413 -6.705 3.507 1.00 0.00 O ATOM 989 CB ALA A 65 -21.207 -8.991 2.713 1.00 0.00 C ATOM 0 H ALA A 65 -19.603 -8.434 4.490 1.00 0.00 H new ATOM 0 HA ALA A 65 -21.033 -6.842 2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -22.013 -9.028 1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -20.252 -9.148 2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -21.358 -9.773 3.457 1.00 0.00 H new ATOM 995 N LYS A 66 -22.747 -7.976 5.236 1.00 0.00 N ATOM 996 CA LYS A 66 -24.010 -7.821 5.939 1.00 0.00 C ATOM 997 C LYS A 66 -24.248 -6.349 6.246 1.00 0.00 C ATOM 998 O LYS A 66 -25.375 -5.860 6.165 1.00 0.00 O ATOM 999 CB LYS A 66 -23.994 -8.663 7.245 1.00 0.00 C ATOM 1000 CG LYS A 66 -23.732 -7.793 8.500 1.00 0.00 C ATOM 1001 CD LYS A 66 -23.555 -8.682 9.735 1.00 0.00 C ATOM 1002 CE LYS A 66 -24.811 -9.536 9.945 1.00 0.00 C ATOM 1003 NZ LYS A 66 -24.694 -10.784 9.147 1.00 0.00 N ATOM 0 H LYS A 66 -22.055 -8.551 5.716 1.00 0.00 H new ATOM 0 HA LYS A 66 -24.824 -8.180 5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -24.948 -9.178 7.355 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -23.224 -9.431 7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -22.840 -7.185 8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -24.564 -7.105 8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.684 -9.325 9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.372 -8.065 10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -24.929 -9.776 11.002 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -25.698 -8.979 9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -25.427 -10.795 8.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -23.755 -10.825 8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -24.818 -11.607 9.770 1.00 0.00 H new ATOM 1017 N MET A 67 -23.179 -5.661 6.640 1.00 0.00 N ATOM 1018 CA MET A 67 -23.296 -4.259 7.004 1.00 0.00 C ATOM 1019 C MET A 67 -23.822 -3.455 5.835 1.00 0.00 C ATOM 1020 O MET A 67 -24.704 -2.614 5.997 1.00 0.00 O ATOM 1021 CB MET A 67 -21.932 -3.710 7.439 1.00 0.00 C ATOM 1022 CG MET A 67 -21.541 -4.299 8.797 1.00 0.00 C ATOM 1023 SD MET A 67 -19.935 -3.628 9.303 1.00 0.00 S ATOM 1024 CE MET A 67 -19.868 -4.385 10.947 1.00 0.00 C ATOM 0 H MET A 67 -22.238 -6.047 6.713 1.00 0.00 H new ATOM 0 HA MET A 67 -23.996 -4.174 7.835 1.00 0.00 H new ATOM 0 HB2 MET A 67 -21.176 -3.959 6.694 1.00 0.00 H new ATOM 0 HB3 MET A 67 -21.972 -2.623 7.502 1.00 0.00 H new ATOM 0 HG2 MET A 67 -22.299 -4.059 9.542 1.00 0.00 H new ATOM 0 HG3 MET A 67 -21.490 -5.386 8.733 1.00 0.00 H new ATOM 0 HE1 MET A 67 -19.392 -3.697 11.645 1.00 0.00 H new ATOM 0 HE2 MET A 67 -20.880 -4.605 11.288 1.00 0.00 H new ATOM 0 HE3 MET A 67 -19.292 -5.309 10.899 1.00 0.00 H new ATOM 1034 N GLY A 68 -23.285 -3.729 4.658 1.00 0.00 N ATOM 1035 CA GLY A 68 -23.723 -3.024 3.464 1.00 0.00 C ATOM 1036 C GLY A 68 -25.151 -3.410 3.092 1.00 0.00 C ATOM 1037 O GLY A 68 -25.969 -2.553 2.758 1.00 0.00 O ATOM 0 H GLY A 68 -22.555 -4.425 4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -23.665 -1.948 3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -23.053 -3.254 2.636 1.00 0.00 H new ATOM 1041 N ALA A 69 -25.446 -4.705 3.153 1.00 0.00 N ATOM 1042 CA ALA A 69 -26.779 -5.188 2.815 1.00 0.00 C ATOM 1043 C ALA A 69 -27.824 -4.634 3.780 1.00 0.00 C ATOM 1044 O ALA A 69 -28.909 -4.223 3.364 1.00 0.00 O ATOM 1045 CB ALA A 69 -26.803 -6.717 2.856 1.00 0.00 C ATOM 0 H ALA A 69 -24.787 -5.432 3.431 1.00 0.00 H new ATOM 0 HA ALA A 69 -27.021 -4.844 1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.802 -7.072 2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -26.084 -7.112 2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -26.540 -7.058 3.857 1.00 0.00 H new ATOM 1051 N ALA A 70 -27.494 -4.631 5.068 1.00 0.00 N ATOM 1052 CA ALA A 70 -28.418 -4.134 6.081 1.00 0.00 C ATOM 1053 C ALA A 70 -28.724 -2.655 5.855 1.00 0.00 C ATOM 1054 O ALA A 70 -29.879 -2.234 5.876 1.00 0.00 O ATOM 1055 CB ALA A 70 -27.809 -4.339 7.471 1.00 0.00 C ATOM 0 H ALA A 70 -26.601 -4.964 5.432 1.00 0.00 H new ATOM 0 HA ALA A 70 -29.353 -4.690 6.008 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -28.499 -3.968 8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -27.627 -5.401 7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -26.867 -3.794 7.540 1.00 0.00 H new ATOM 1061 N MET A 71 -27.676 -1.879 5.626 1.00 0.00 N ATOM 1062 CA MET A 71 -27.825 -0.456 5.384 1.00 0.00 C ATOM 1063 C MET A 71 -28.632 -0.212 4.115 1.00 0.00 C ATOM 1064 O MET A 71 -29.418 0.732 4.046 1.00 0.00 O ATOM 1065 CB MET A 71 -26.453 0.206 5.282 1.00 0.00 C ATOM 1066 CG MET A 71 -26.628 1.721 5.122 1.00 0.00 C ATOM 1067 SD MET A 71 -25.005 2.521 5.072 1.00 0.00 S ATOM 1068 CE MET A 71 -24.488 1.933 3.439 1.00 0.00 C ATOM 0 H MET A 71 -26.713 -2.213 5.603 1.00 0.00 H new ATOM 0 HA MET A 71 -28.364 -0.014 6.222 1.00 0.00 H new ATOM 0 HB2 MET A 71 -25.865 -0.011 6.174 1.00 0.00 H new ATOM 0 HB3 MET A 71 -25.904 -0.199 4.432 1.00 0.00 H new ATOM 0 HG2 MET A 71 -27.180 1.938 4.207 1.00 0.00 H new ATOM 0 HG3 MET A 71 -27.215 2.118 5.950 1.00 0.00 H new ATOM 0 HE1 MET A 71 -23.744 2.614 3.026 1.00 0.00 H new ATOM 0 HE2 MET A 71 -24.057 0.936 3.531 1.00 0.00 H new ATOM 0 HE3 MET A 71 -25.352 1.895 2.776 1.00 0.00 H new ATOM 1078 N ASP A 72 -28.421 -1.053 3.104 1.00 0.00 N ATOM 1079 CA ASP A 72 -29.126 -0.895 1.841 1.00 0.00 C ATOM 1080 C ASP A 72 -30.632 -0.965 2.062 1.00 0.00 C ATOM 1081 O ASP A 72 -31.376 -0.105 1.594 1.00 0.00 O ATOM 1082 CB ASP A 72 -28.701 -2.009 0.883 1.00 0.00 C ATOM 1083 CG ASP A 72 -29.388 -1.833 -0.465 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -30.223 -0.951 -0.572 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -29.070 -2.585 -1.371 1.00 0.00 O ATOM 0 H ASP A 72 -27.774 -1.841 3.137 1.00 0.00 H new ATOM 0 HA ASP A 72 -28.877 0.077 1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -27.619 -1.994 0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -28.957 -2.980 1.306 1.00 0.00 H new ATOM 1090 N ALA A 73 -31.072 -1.985 2.788 1.00 0.00 N ATOM 1091 CA ALA A 73 -32.492 -2.138 3.071 1.00 0.00 C ATOM 1092 C ALA A 73 -32.999 -0.959 3.886 1.00 0.00 C ATOM 1093 O ALA A 73 -34.110 -0.465 3.659 1.00 0.00 O ATOM 1094 CB ALA A 73 -32.743 -3.443 3.832 1.00 0.00 C ATOM 0 H ALA A 73 -30.475 -2.709 3.187 1.00 0.00 H new ATOM 0 HA ALA A 73 -33.031 -2.170 2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -33.809 -3.545 4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -32.407 -4.286 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -32.192 -3.428 4.772 1.00 0.00 H new ATOM 1100 N LEU A 74 -32.179 -0.524 4.841 1.00 0.00 N ATOM 1101 CA LEU A 74 -32.548 0.594 5.701 1.00 0.00 C ATOM 1102 C LEU A 74 -32.783 1.851 4.875 1.00 0.00 C ATOM 1103 O LEU A 74 -33.792 2.533 5.043 1.00 0.00 O ATOM 1104 CB LEU A 74 -31.434 0.860 6.728 1.00 0.00 C ATOM 1105 CG LEU A 74 -31.812 2.050 7.632 1.00 0.00 C ATOM 1106 CD1 LEU A 74 -33.116 1.744 8.388 1.00 0.00 C ATOM 1107 CD2 LEU A 74 -30.676 2.301 8.631 1.00 0.00 C ATOM 0 H LEU A 74 -31.262 -0.926 5.036 1.00 0.00 H new ATOM 0 HA LEU A 74 -33.470 0.334 6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -31.271 -0.030 7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -30.497 1.070 6.212 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.964 2.939 7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.375 2.590 9.024 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.919 1.569 7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -32.979 0.855 9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -30.936 3.142 9.274 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -30.525 1.411 9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -29.758 2.529 8.089 1.00 0.00 H new ATOM 1119 N GLU A 75 -31.842 2.158 3.988 1.00 0.00 N ATOM 1120 CA GLU A 75 -31.959 3.350 3.158 1.00 0.00 C ATOM 1121 C GLU A 75 -33.169 3.245 2.240 1.00 0.00 C ATOM 1122 O GLU A 75 -33.901 4.216 2.049 1.00 0.00 O ATOM 1123 CB GLU A 75 -30.694 3.526 2.319 1.00 0.00 C ATOM 1124 CG GLU A 75 -29.525 3.914 3.228 1.00 0.00 C ATOM 1125 CD GLU A 75 -28.233 3.965 2.418 1.00 0.00 C ATOM 1126 OE1 GLU A 75 -28.236 3.468 1.304 1.00 0.00 O ATOM 1127 OE2 GLU A 75 -27.261 4.505 2.922 1.00 0.00 O ATOM 0 H GLU A 75 -31.000 1.605 3.827 1.00 0.00 H new ATOM 0 HA GLU A 75 -32.086 4.214 3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -30.465 2.601 1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -30.851 4.295 1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -29.716 4.884 3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -29.428 3.192 4.039 1.00 0.00 H new ATOM 1134 N LYS A 76 -33.376 2.060 1.682 1.00 0.00 N ATOM 1135 CA LYS A 76 -34.507 1.834 0.792 1.00 0.00 C ATOM 1136 C LYS A 76 -35.767 1.541 1.597 1.00 0.00 C ATOM 1137 O LYS A 76 -36.870 1.507 1.049 1.00 0.00 O ATOM 1138 CB LYS A 76 -34.209 0.662 -0.145 1.00 0.00 C ATOM 1139 CG LYS A 76 -33.072 1.045 -1.094 1.00 0.00 C ATOM 1140 CD LYS A 76 -32.760 -0.132 -2.019 1.00 0.00 C ATOM 1141 CE LYS A 76 -31.611 0.243 -2.957 1.00 0.00 C ATOM 1142 NZ LYS A 76 -32.045 1.345 -3.862 1.00 0.00 N ATOM 0 H LYS A 76 -32.780 1.245 1.828 1.00 0.00 H new ATOM 0 HA LYS A 76 -34.669 2.735 0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -33.933 -0.219 0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -35.101 0.402 -0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -33.354 1.918 -1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -32.184 1.318 -0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -32.491 -1.009 -1.430 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -33.644 -0.397 -2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -30.742 0.555 -2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -31.308 -0.625 -3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -31.415 1.384 -4.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -33.020 1.171 -4.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -32.003 2.250 -3.352 1.00 0.00 H new ATOM 1156 N TYR A 77 -35.601 1.321 2.902 1.00 0.00 N ATOM 1157 CA TYR A 77 -36.741 1.025 3.765 1.00 0.00 C ATOM 1158 C TYR A 77 -37.675 0.029 3.086 1.00 0.00 C ATOM 1159 O TYR A 77 -38.893 0.210 3.083 1.00 0.00 O ATOM 1160 CB TYR A 77 -37.506 2.309 4.092 1.00 0.00 C ATOM 1161 CG TYR A 77 -36.612 3.235 4.881 1.00 0.00 C ATOM 1162 CD1 TYR A 77 -35.898 4.247 4.228 1.00 0.00 C ATOM 1163 CD2 TYR A 77 -36.498 3.081 6.268 1.00 0.00 C ATOM 1164 CE1 TYR A 77 -35.070 5.104 4.962 1.00 0.00 C ATOM 1165 CE2 TYR A 77 -35.671 3.938 7.001 1.00 0.00 C ATOM 1166 CZ TYR A 77 -34.956 4.950 6.348 1.00 0.00 C ATOM 1167 OH TYR A 77 -34.141 5.795 7.073 1.00 0.00 O ATOM 0 H TYR A 77 -34.699 1.342 3.378 1.00 0.00 H new ATOM 0 HA TYR A 77 -36.368 0.587 4.691 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -37.832 2.796 3.173 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -38.403 2.075 4.665 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -35.986 4.366 3.158 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -37.049 2.300 6.772 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -34.519 5.884 4.458 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -35.584 3.819 8.071 1.00 0.00 H new ATOM 0 HH TYR A 77 -34.178 5.551 8.021 1.00 0.00 H new ATOM 1177 N ASN A 78 -37.096 -1.017 2.504 1.00 0.00 N ATOM 1178 CA ASN A 78 -37.894 -2.030 1.812 1.00 0.00 C ATOM 1179 C ASN A 78 -38.469 -3.031 2.808 1.00 0.00 C ATOM 1180 O ASN A 78 -37.729 -3.726 3.505 1.00 0.00 O ATOM 1181 CB ASN A 78 -37.035 -2.770 0.788 1.00 0.00 C ATOM 1182 CG ASN A 78 -36.690 -1.845 -0.374 1.00 0.00 C ATOM 1183 OD1 ASN A 78 -37.352 -0.825 -0.577 1.00 0.00 O ATOM 1184 ND2 ASN A 78 -35.694 -2.148 -1.160 1.00 0.00 N ATOM 0 H ASN A 78 -36.090 -1.187 2.496 1.00 0.00 H new ATOM 0 HA ASN A 78 -38.714 -1.526 1.300 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -36.121 -3.129 1.261 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -37.569 -3.646 0.419 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -35.461 -1.540 -1.945 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -35.148 -2.993 -0.989 1.00 0.00 H new ATOM 1191 N PHE A 79 -39.795 -3.090 2.868 1.00 0.00 N ATOM 1192 CA PHE A 79 -40.483 -3.996 3.783 1.00 0.00 C ATOM 1193 C PHE A 79 -41.967 -4.082 3.419 1.00 0.00 C ATOM 1194 O PHE A 79 -42.463 -5.152 3.058 1.00 0.00 O ATOM 1195 CB PHE A 79 -40.314 -3.503 5.241 1.00 0.00 C ATOM 1196 CG PHE A 79 -39.244 -4.302 5.944 1.00 0.00 C ATOM 1197 CD1 PHE A 79 -37.963 -3.769 6.107 1.00 0.00 C ATOM 1198 CD2 PHE A 79 -39.539 -5.582 6.421 1.00 0.00 C ATOM 1199 CE1 PHE A 79 -36.973 -4.517 6.746 1.00 0.00 C ATOM 1200 CE2 PHE A 79 -38.551 -6.331 7.062 1.00 0.00 C ATOM 1201 CZ PHE A 79 -37.265 -5.799 7.224 1.00 0.00 C ATOM 0 H PHE A 79 -40.416 -2.521 2.293 1.00 0.00 H new ATOM 0 HA PHE A 79 -40.045 -4.990 3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -40.050 -2.445 5.246 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -41.259 -3.598 5.776 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -37.739 -2.779 5.739 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -40.530 -5.991 6.294 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -35.982 -4.106 6.871 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -38.778 -7.320 7.433 1.00 0.00 H new ATOM 0 HZ PHE A 79 -36.499 -6.379 7.718 1.00 0.00 H new ATOM 1211 N PRO A 80 -42.682 -2.984 3.499 1.00 0.00 N ATOM 1212 CA PRO A 80 -44.138 -2.953 3.167 1.00 0.00 C ATOM 1213 C PRO A 80 -44.393 -3.287 1.699 1.00 0.00 C ATOM 1214 O PRO A 80 -43.551 -3.036 0.836 1.00 0.00 O ATOM 1215 CB PRO A 80 -44.559 -1.507 3.493 1.00 0.00 C ATOM 1216 CG PRO A 80 -43.295 -0.718 3.417 1.00 0.00 C ATOM 1217 CD PRO A 80 -42.201 -1.653 3.922 1.00 0.00 C ATOM 0 HA PRO A 80 -44.706 -3.696 3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -45.298 -1.140 2.781 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -45.009 -1.439 4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -43.095 -0.395 2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -43.356 0.182 4.030 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -41.232 -1.415 3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -42.084 -1.591 5.004 1.00 0.00 H new ATOM 1225 N GLN A 81 -45.559 -3.859 1.431 1.00 0.00 N ATOM 1226 CA GLN A 81 -45.922 -4.230 0.070 1.00 0.00 C ATOM 1227 C GLN A 81 -47.436 -4.384 -0.059 1.00 0.00 C ATOM 1228 O GLN A 81 -47.928 -4.943 -1.038 1.00 0.00 O ATOM 1229 CB GLN A 81 -45.239 -5.549 -0.313 1.00 0.00 C ATOM 1230 CG GLN A 81 -45.629 -6.653 0.678 1.00 0.00 C ATOM 1231 CD GLN A 81 -47.011 -7.205 0.336 1.00 0.00 C ATOM 1232 OE1 GLN A 81 -47.391 -7.243 -0.833 1.00 0.00 O ATOM 1233 NE2 GLN A 81 -47.786 -7.638 1.293 1.00 0.00 N ATOM 0 H GLN A 81 -46.266 -4.075 2.134 1.00 0.00 H new ATOM 0 HA GLN A 81 -45.589 -3.439 -0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -45.529 -5.838 -1.323 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -44.157 -5.419 -0.317 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -44.892 -7.455 0.649 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -45.629 -6.257 1.693 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -47.468 -7.605 2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -48.710 -8.009 1.072 1.00 0.00 H new ATOM 1242 N MET A 82 -48.171 -3.879 0.933 1.00 0.00 N ATOM 1243 CA MET A 82 -49.632 -3.963 0.927 1.00 0.00 C ATOM 1244 C MET A 82 -50.229 -2.767 1.676 1.00 0.00 C ATOM 1245 O MET A 82 -51.204 -2.215 1.188 1.00 0.00 O ATOM 1246 CB MET A 82 -50.077 -5.291 1.591 1.00 0.00 C ATOM 1247 CG MET A 82 -50.340 -6.363 0.525 1.00 0.00 C ATOM 1248 SD MET A 82 -51.807 -5.901 -0.426 1.00 0.00 S ATOM 1249 CE MET A 82 -51.750 -7.267 -1.606 1.00 0.00 C ATOM 1250 OXT MET A 82 -49.702 -2.422 2.719 1.00 0.00 O ATOM 0 H MET A 82 -47.780 -3.409 1.749 1.00 0.00 H new ATOM 0 HA MET A 82 -49.991 -3.942 -0.102 1.00 0.00 H new ATOM 0 HB2 MET A 82 -49.306 -5.636 2.280 1.00 0.00 H new ATOM 0 HB3 MET A 82 -50.980 -5.126 2.179 1.00 0.00 H new ATOM 0 HG2 MET A 82 -49.478 -6.457 -0.135 1.00 0.00 H new ATOM 0 HG3 MET A 82 -50.488 -7.335 0.997 1.00 0.00 H new ATOM 0 HE1 MET A 82 -52.583 -7.180 -2.304 1.00 0.00 H new ATOM 0 HE2 MET A 82 -50.810 -7.233 -2.157 1.00 0.00 H new ATOM 0 HE3 MET A 82 -51.823 -8.214 -1.071 1.00 0.00 H new TER 1260 MET A 82