USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 742 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 55 MET CE :methyl -159:sc=-0.00682 (180deg=-0.0127) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 178:sc= -1.92 (180deg=-2.01) USER MOD Set 2.1: A 46 HIS : no HD1:sc= -0.241 X(o=-0.066,f=0.31) USER MOD Set 2.2: A 48 CYS SG : rot 2:sc= 0.175 USER MOD Single : A 3 HIS : no HE2:sc= -0.267 K(o=-0.27,f=-1.1) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot -57:sc= 1.01 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.15 K(o=-1.2,f=-2.7!) USER MOD Single : A 22 THR OG1 : rot -170:sc= -1.05 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.238 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 11:sc= -2.04! USER MOD Single : A 47 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.1!) USER MOD Single : A 51 THR OG1 : rot -7:sc= 0.0271 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 23:sc= -2.07! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= -0.0286 (180deg=-0.233) USER MOD Single : A 69 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.31) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0893 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -100:sc= -0.706 USER MOD Single : A 83 LYS NZ :NH3+ -142:sc= -3.06! (180deg=-5.68!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -94:sc= 1.28 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -1:sc= 0.216! USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= -0.0315 (180deg=-0.253) USER MOD Single : A 94 LYS NZ :NH3+ 141:sc= -4.26! (180deg=-6.64!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -23.614 5.706 -5.624 1.00 0.00 N ATOM 2 CA HIS A 3 -23.553 4.229 -5.778 1.00 0.00 C ATOM 3 C HIS A 3 -22.120 3.721 -5.662 1.00 0.00 C ATOM 4 O HIS A 3 -21.848 2.768 -4.932 1.00 0.00 O ATOM 5 CB HIS A 3 -24.139 3.857 -7.141 1.00 0.00 C ATOM 6 CG HIS A 3 -25.586 4.212 -7.287 1.00 0.00 C ATOM 7 ND1 HIS A 3 -26.063 5.499 -7.153 1.00 0.00 N ATOM 8 CD2 HIS A 3 -26.665 3.440 -7.555 1.00 0.00 C ATOM 9 CE1 HIS A 3 -27.372 5.503 -7.333 1.00 0.00 C ATOM 10 NE2 HIS A 3 -27.762 4.266 -7.578 1.00 0.00 N ATOM 0 HA HIS A 3 -24.131 3.761 -4.981 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -23.569 4.360 -7.922 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -24.018 2.785 -7.299 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -25.494 6.320 -6.947 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -26.664 2.373 -7.720 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -28.014 6.371 -7.287 1.00 0.00 H new ATOM 21 N MET A 4 -21.208 4.364 -6.384 1.00 0.00 N ATOM 22 CA MET A 4 -19.801 3.978 -6.359 1.00 0.00 C ATOM 23 C MET A 4 -19.194 4.236 -4.985 1.00 0.00 C ATOM 24 O MET A 4 -19.326 5.330 -4.435 1.00 0.00 O ATOM 25 CB MET A 4 -19.019 4.749 -7.424 1.00 0.00 C ATOM 26 CG MET A 4 -19.526 4.522 -8.839 1.00 0.00 C ATOM 27 SD MET A 4 -19.393 2.802 -9.361 1.00 0.00 S ATOM 28 CE MET A 4 -20.030 2.910 -11.031 1.00 0.00 C ATOM 0 H MET A 4 -21.418 5.155 -6.994 1.00 0.00 H new ATOM 0 HA MET A 4 -19.739 2.911 -6.573 1.00 0.00 H new ATOM 0 HB2 MET A 4 -19.067 5.814 -7.197 1.00 0.00 H new ATOM 0 HB3 MET A 4 -17.970 4.459 -7.373 1.00 0.00 H new ATOM 0 HG2 MET A 4 -20.568 4.836 -8.902 1.00 0.00 H new ATOM 0 HG3 MET A 4 -18.961 5.151 -9.528 1.00 0.00 H new ATOM 0 HE1 MET A 4 -20.013 1.922 -11.492 1.00 0.00 H new ATOM 0 HE2 MET A 4 -21.055 3.281 -11.006 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.411 3.592 -11.613 1.00 0.00 H new ATOM 38 N ARG A 5 -18.524 3.228 -4.435 1.00 0.00 N ATOM 39 CA ARG A 5 -17.894 3.356 -3.127 1.00 0.00 C ATOM 40 C ARG A 5 -16.689 4.287 -3.193 1.00 0.00 C ATOM 41 O ARG A 5 -15.885 4.211 -4.122 1.00 0.00 O ATOM 42 CB ARG A 5 -17.467 1.995 -2.599 1.00 0.00 C ATOM 43 CG ARG A 5 -17.043 2.043 -1.146 1.00 0.00 C ATOM 44 CD ARG A 5 -16.658 0.674 -0.639 1.00 0.00 C ATOM 45 NE ARG A 5 -17.775 -0.265 -0.688 1.00 0.00 N ATOM 46 CZ ARG A 5 -17.691 -1.533 -0.295 1.00 0.00 C ATOM 47 NH1 ARG A 5 -16.545 -2.012 0.171 1.00 0.00 N ATOM 48 NH2 ARG A 5 -18.752 -2.325 -0.370 1.00 0.00 N ATOM 0 H ARG A 5 -18.404 2.315 -4.874 1.00 0.00 H new ATOM 0 HA ARG A 5 -18.629 3.783 -2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -18.292 1.291 -2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -16.642 1.617 -3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -16.200 2.725 -1.034 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -17.857 2.441 -0.541 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.833 0.286 -1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -16.299 0.756 0.387 1.00 0.00 H new ATOM 0 HE ARG A 5 -18.670 0.070 -1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.725 -1.408 0.229 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -16.483 -2.985 0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -19.635 -1.962 -0.730 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -18.685 -3.297 -0.068 1.00 0.00 H new ATOM 62 N GLN A 6 -16.572 5.165 -2.203 1.00 0.00 N ATOM 63 CA GLN A 6 -15.466 6.113 -2.146 1.00 0.00 C ATOM 64 C GLN A 6 -14.126 5.382 -2.072 1.00 0.00 C ATOM 65 O GLN A 6 -13.982 4.410 -1.329 1.00 0.00 O ATOM 66 CB GLN A 6 -15.622 7.040 -0.940 1.00 0.00 C ATOM 67 CG GLN A 6 -16.921 7.829 -0.944 1.00 0.00 C ATOM 68 CD GLN A 6 -17.034 8.770 0.239 1.00 0.00 C ATOM 69 OE1 GLN A 6 -17.002 8.343 1.393 1.00 0.00 O ATOM 70 NE2 GLN A 6 -17.169 10.062 -0.044 1.00 0.00 N ATOM 0 H GLN A 6 -17.231 5.240 -1.428 1.00 0.00 H new ATOM 0 HA GLN A 6 -15.484 6.710 -3.058 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.570 6.447 -0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.784 7.736 -0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.991 8.403 -1.868 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.763 7.136 -0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.191 10.372 -1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.251 10.743 0.710 1.00 0.00 H new ATOM 79 N PRO A 7 -13.123 5.840 -2.843 1.00 0.00 N ATOM 80 CA PRO A 7 -11.793 5.222 -2.857 1.00 0.00 C ATOM 81 C PRO A 7 -11.110 5.289 -1.492 1.00 0.00 C ATOM 82 O PRO A 7 -11.195 6.301 -0.798 1.00 0.00 O ATOM 83 CB PRO A 7 -11.014 6.050 -3.885 1.00 0.00 C ATOM 84 CG PRO A 7 -11.762 7.334 -3.996 1.00 0.00 C ATOM 85 CD PRO A 7 -13.203 6.992 -3.757 1.00 0.00 C ATOM 0 HA PRO A 7 -11.844 4.161 -3.102 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.988 6.219 -3.559 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.963 5.539 -4.846 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.406 8.058 -3.263 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.625 7.782 -4.980 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.747 7.825 -3.310 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.716 6.737 -4.684 1.00 0.00 H new ATOM 93 N PRO A 8 -10.420 4.207 -1.085 1.00 0.00 N ATOM 94 CA PRO A 8 -9.722 4.154 0.205 1.00 0.00 C ATOM 95 C PRO A 8 -8.685 5.263 0.344 1.00 0.00 C ATOM 96 O PRO A 8 -7.777 5.382 -0.478 1.00 0.00 O ATOM 97 CB PRO A 8 -9.034 2.782 0.197 1.00 0.00 C ATOM 98 CG PRO A 8 -9.037 2.345 -1.230 1.00 0.00 C ATOM 99 CD PRO A 8 -10.261 2.955 -1.845 1.00 0.00 C ATOM 0 HA PRO A 8 -10.409 4.291 1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.018 2.850 0.585 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.569 2.071 0.827 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.135 2.679 -1.742 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.063 1.258 -1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.127 3.143 -2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.131 2.306 -1.742 1.00 0.00 H new ATOM 107 N LEU A 9 -8.823 6.069 1.392 1.00 0.00 N ATOM 108 CA LEU A 9 -7.893 7.166 1.639 1.00 0.00 C ATOM 109 C LEU A 9 -6.785 6.725 2.592 1.00 0.00 C ATOM 110 O LEU A 9 -7.053 6.305 3.717 1.00 0.00 O ATOM 111 CB LEU A 9 -8.649 8.375 2.214 1.00 0.00 C ATOM 112 CG LEU A 9 -7.861 9.693 2.288 1.00 0.00 C ATOM 113 CD1 LEU A 9 -6.778 9.627 3.355 1.00 0.00 C ATOM 114 CD2 LEU A 9 -7.252 10.029 0.934 1.00 0.00 C ATOM 0 H LEU A 9 -9.568 5.984 2.083 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.433 7.456 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.540 8.542 1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.988 8.121 3.218 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.558 10.484 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.238 10.573 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.235 9.440 4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.084 8.820 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.698 10.965 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.576 9.230 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.045 10.133 0.194 1.00 0.00 H new ATOM 126 N VAL A 10 -5.541 6.834 2.137 1.00 0.00 N ATOM 127 CA VAL A 10 -4.391 6.455 2.951 1.00 0.00 C ATOM 128 C VAL A 10 -3.746 7.686 3.585 1.00 0.00 C ATOM 129 O VAL A 10 -3.638 8.736 2.950 1.00 0.00 O ATOM 130 CB VAL A 10 -3.339 5.696 2.118 1.00 0.00 C ATOM 131 CG1 VAL A 10 -2.146 5.306 2.980 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.958 4.469 1.469 1.00 0.00 C ATOM 0 H VAL A 10 -5.303 7.182 1.208 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.755 5.795 3.738 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.984 6.359 1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.417 4.772 2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.686 6.204 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.480 4.663 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.201 3.945 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.344 3.804 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.773 4.776 0.814 1.00 0.00 H new ATOM 142 N THR A 11 -3.320 7.551 4.838 1.00 0.00 N ATOM 143 CA THR A 11 -2.689 8.656 5.551 1.00 0.00 C ATOM 144 C THR A 11 -2.008 8.175 6.832 1.00 0.00 C ATOM 145 O THR A 11 -2.220 8.729 7.911 1.00 0.00 O ATOM 146 CB THR A 11 -3.712 9.754 5.895 1.00 0.00 C ATOM 147 OG1 THR A 11 -3.083 10.805 6.638 1.00 0.00 O ATOM 148 CG2 THR A 11 -4.862 9.175 6.694 1.00 0.00 C ATOM 0 H THR A 11 -3.400 6.690 5.379 1.00 0.00 H new ATOM 0 HA THR A 11 -1.933 9.073 4.886 1.00 0.00 H new ATOM 0 HB THR A 11 -4.102 10.164 4.963 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.668 10.433 7.444 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.576 9.965 6.929 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.357 8.400 6.109 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.481 8.743 7.620 1.00 0.00 H new ATOM 156 N GLY A 12 -1.183 7.140 6.702 1.00 0.00 N ATOM 157 CA GLY A 12 -0.481 6.604 7.852 1.00 0.00 C ATOM 158 C GLY A 12 0.538 5.549 7.475 1.00 0.00 C ATOM 159 O GLY A 12 0.293 4.720 6.598 1.00 0.00 O ATOM 0 H GLY A 12 -0.989 6.664 5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.021 7.417 8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.204 6.174 8.546 1.00 0.00 H new ATOM 163 N ILE A 13 1.683 5.581 8.145 1.00 0.00 N ATOM 164 CA ILE A 13 2.753 4.623 7.888 1.00 0.00 C ATOM 165 C ILE A 13 3.767 4.637 9.026 1.00 0.00 C ATOM 166 O ILE A 13 4.220 5.700 9.452 1.00 0.00 O ATOM 167 CB ILE A 13 3.472 4.920 6.552 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.565 3.882 6.291 1.00 0.00 C ATOM 169 CG2 ILE A 13 4.062 6.327 6.558 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.154 3.962 4.899 1.00 0.00 C ATOM 0 H ILE A 13 1.896 6.263 8.873 1.00 0.00 H new ATOM 0 HA ILE A 13 2.296 3.636 7.821 1.00 0.00 H new ATOM 0 HB ILE A 13 2.739 4.861 5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.362 4.014 7.022 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.152 2.885 6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.563 6.515 5.609 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.264 7.056 6.698 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.781 6.416 7.372 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.922 3.197 4.784 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.368 3.800 4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.597 4.946 4.747 1.00 0.00 H new ATOM 182 N SER A 14 4.112 3.453 9.526 1.00 0.00 N ATOM 183 CA SER A 14 5.067 3.350 10.623 1.00 0.00 C ATOM 184 C SER A 14 6.462 3.804 10.179 1.00 0.00 C ATOM 185 O SER A 14 7.013 4.745 10.749 1.00 0.00 O ATOM 186 CB SER A 14 5.108 1.922 11.180 1.00 0.00 C ATOM 187 OG SER A 14 6.037 1.817 12.244 1.00 0.00 O ATOM 0 H SER A 14 3.748 2.560 9.192 1.00 0.00 H new ATOM 0 HA SER A 14 4.735 4.014 11.421 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.116 1.636 11.530 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.379 1.226 10.386 1.00 0.00 H new ATOM 0 HG SER A 14 6.043 0.898 12.583 1.00 0.00 H new ATOM 193 N PRO A 15 7.058 3.158 9.152 1.00 0.00 N ATOM 194 CA PRO A 15 8.372 3.522 8.655 1.00 0.00 C ATOM 195 C PRO A 15 8.293 4.452 7.451 1.00 0.00 C ATOM 196 O PRO A 15 7.724 4.094 6.421 1.00 0.00 O ATOM 197 CB PRO A 15 8.942 2.167 8.250 1.00 0.00 C ATOM 198 CG PRO A 15 7.755 1.356 7.823 1.00 0.00 C ATOM 199 CD PRO A 15 6.517 2.029 8.380 1.00 0.00 C ATOM 0 HA PRO A 15 8.970 4.065 9.387 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.662 2.269 7.438 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.464 1.694 9.082 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.703 1.297 6.736 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.835 0.334 8.194 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.852 2.368 7.585 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.941 1.351 9.010 1.00 0.00 H new ATOM 207 N ASN A 16 8.864 5.644 7.579 1.00 0.00 N ATOM 208 CA ASN A 16 8.845 6.607 6.486 1.00 0.00 C ATOM 209 C ASN A 16 10.122 6.506 5.655 1.00 0.00 C ATOM 210 O ASN A 16 10.572 7.490 5.066 1.00 0.00 O ATOM 211 CB ASN A 16 8.682 8.027 7.033 1.00 0.00 C ATOM 212 CG ASN A 16 7.582 8.124 8.071 1.00 0.00 C ATOM 213 OD1 ASN A 16 6.421 7.828 7.793 1.00 0.00 O ATOM 214 ND2 ASN A 16 7.944 8.544 9.278 1.00 0.00 N ATOM 0 H ASN A 16 9.342 5.964 8.421 1.00 0.00 H new ATOM 0 HA ASN A 16 7.996 6.378 5.842 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.624 8.354 7.474 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.462 8.707 6.210 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.247 8.632 10.018 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.919 8.779 9.465 1.00 0.00 H new ATOM 221 N GLU A 17 10.696 5.304 5.611 1.00 0.00 N ATOM 222 CA GLU A 17 11.920 5.050 4.854 1.00 0.00 C ATOM 223 C GLU A 17 12.354 3.594 5.007 1.00 0.00 C ATOM 224 O GLU A 17 12.369 3.058 6.116 1.00 0.00 O ATOM 225 CB GLU A 17 13.046 5.981 5.320 1.00 0.00 C ATOM 226 CG GLU A 17 13.397 5.829 6.791 1.00 0.00 C ATOM 227 CD GLU A 17 14.523 6.750 7.219 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.361 7.983 7.097 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.568 6.238 7.674 1.00 0.00 O ATOM 0 H GLU A 17 10.329 4.485 6.095 1.00 0.00 H new ATOM 0 HA GLU A 17 11.714 5.247 3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.936 5.787 4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.753 7.014 5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.514 6.036 7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.683 4.796 6.988 1.00 0.00 H new ATOM 236 N GLY A 18 12.703 2.955 3.893 1.00 0.00 N ATOM 237 CA GLY A 18 13.126 1.566 3.941 1.00 0.00 C ATOM 238 C GLY A 18 13.183 0.917 2.570 1.00 0.00 C ATOM 239 O GLY A 18 12.384 1.239 1.690 1.00 0.00 O ATOM 0 H GLY A 18 12.701 3.372 2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.110 1.507 4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.440 1.004 4.575 1.00 0.00 H new ATOM 243 N ILE A 19 14.126 -0.006 2.393 1.00 0.00 N ATOM 244 CA ILE A 19 14.281 -0.715 1.126 1.00 0.00 C ATOM 245 C ILE A 19 12.973 -1.400 0.725 1.00 0.00 C ATOM 246 O ILE A 19 12.107 -1.626 1.569 1.00 0.00 O ATOM 247 CB ILE A 19 15.402 -1.771 1.206 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.078 -2.812 2.281 1.00 0.00 C ATOM 249 CG2 ILE A 19 16.740 -1.100 1.490 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.095 -3.928 2.377 1.00 0.00 C ATOM 0 H ILE A 19 14.795 -0.280 3.113 1.00 0.00 H new ATOM 0 HA ILE A 19 14.549 0.026 0.373 1.00 0.00 H new ATOM 0 HB ILE A 19 15.471 -2.282 0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.008 -2.313 3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.099 -3.243 2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.522 -1.857 1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 19 16.971 -0.396 0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.685 -0.566 2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.797 -4.625 3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.149 -4.454 1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.073 -3.510 2.617 1.00 0.00 H new ATOM 262 N PRO A 20 12.798 -1.726 -0.569 1.00 0.00 N ATOM 263 CA PRO A 20 11.580 -2.372 -1.065 1.00 0.00 C ATOM 264 C PRO A 20 11.150 -3.574 -0.224 1.00 0.00 C ATOM 265 O PRO A 20 9.965 -3.757 0.042 1.00 0.00 O ATOM 266 CB PRO A 20 11.941 -2.819 -2.491 1.00 0.00 C ATOM 267 CG PRO A 20 13.401 -2.542 -2.658 1.00 0.00 C ATOM 268 CD PRO A 20 13.756 -1.481 -1.655 1.00 0.00 C ATOM 0 HA PRO A 20 10.734 -1.686 -1.023 1.00 0.00 H new ATOM 0 HB2 PRO A 20 11.727 -3.878 -2.633 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.354 -2.274 -3.230 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.988 -3.445 -2.490 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.618 -2.205 -3.672 1.00 0.00 H new ATOM 0 HD2 PRO A 20 14.787 -1.576 -1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 20 13.649 -0.479 -2.071 1.00 0.00 H new ATOM 276 N TRP A 21 12.106 -4.398 0.185 1.00 0.00 N ATOM 277 CA TRP A 21 11.797 -5.582 0.985 1.00 0.00 C ATOM 278 C TRP A 21 11.296 -5.214 2.381 1.00 0.00 C ATOM 279 O TRP A 21 10.618 -6.012 3.030 1.00 0.00 O ATOM 280 CB TRP A 21 13.014 -6.500 1.091 1.00 0.00 C ATOM 281 CG TRP A 21 13.376 -7.152 -0.207 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.221 -6.667 -1.164 1.00 0.00 C ATOM 283 CD2 TRP A 21 12.879 -8.399 -0.703 1.00 0.00 C ATOM 284 NE1 TRP A 21 14.295 -7.548 -2.217 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.477 -8.618 -1.958 1.00 0.00 C ATOM 286 CE3 TRP A 21 11.991 -9.356 -0.203 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.214 -9.754 -2.720 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.729 -10.482 -0.960 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.339 -10.674 -2.207 1.00 0.00 C ATOM 0 H TRP A 21 13.097 -4.272 -0.021 1.00 0.00 H new ATOM 0 HA TRP A 21 10.995 -6.113 0.471 1.00 0.00 H new ATOM 0 HB2 TRP A 21 13.866 -5.923 1.450 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.815 -7.272 1.835 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.753 -5.729 -1.103 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.865 -7.426 -3.054 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.518 -9.218 0.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.683 -9.904 -3.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.043 -11.226 -0.584 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.115 -11.565 -2.775 1.00 0.00 H new ATOM 300 N THR A 22 11.641 -4.017 2.845 1.00 0.00 N ATOM 301 CA THR A 22 11.229 -3.567 4.173 1.00 0.00 C ATOM 302 C THR A 22 9.717 -3.657 4.354 1.00 0.00 C ATOM 303 O THR A 22 8.949 -3.139 3.544 1.00 0.00 O ATOM 304 CB THR A 22 11.675 -2.117 4.444 1.00 0.00 C ATOM 305 OG1 THR A 22 13.101 -2.019 4.366 1.00 0.00 O ATOM 306 CG2 THR A 22 11.209 -1.651 5.816 1.00 0.00 C ATOM 0 H THR A 22 12.202 -3.343 2.325 1.00 0.00 H new ATOM 0 HA THR A 22 11.716 -4.233 4.885 1.00 0.00 H new ATOM 0 HB THR A 22 11.223 -1.477 3.686 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.387 -1.140 4.692 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.537 -0.625 5.982 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.121 -1.697 5.866 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.635 -2.297 6.584 1.00 0.00 H new ATOM 314 N LYS A 23 9.305 -4.311 5.436 1.00 0.00 N ATOM 315 CA LYS A 23 7.889 -4.467 5.750 1.00 0.00 C ATOM 316 C LYS A 23 7.303 -3.147 6.236 1.00 0.00 C ATOM 317 O LYS A 23 7.949 -2.410 6.983 1.00 0.00 O ATOM 318 CB LYS A 23 7.704 -5.551 6.815 1.00 0.00 C ATOM 319 CG LYS A 23 6.259 -5.754 7.240 1.00 0.00 C ATOM 320 CD LYS A 23 6.145 -6.806 8.332 1.00 0.00 C ATOM 321 CE LYS A 23 4.704 -7.002 8.772 1.00 0.00 C ATOM 322 NZ LYS A 23 4.584 -8.038 9.834 1.00 0.00 N ATOM 0 H LYS A 23 9.935 -4.743 6.112 1.00 0.00 H new ATOM 0 HA LYS A 23 7.362 -4.767 4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.096 -6.493 6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.298 -5.291 7.691 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.847 -4.810 7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.664 -6.056 6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.547 -7.752 7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.750 -6.509 9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.305 -6.057 9.140 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.098 -7.291 7.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.586 -8.142 10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.941 -8.946 9.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.141 -7.751 10.664 1.00 0.00 H new ATOM 336 N VAL A 24 6.079 -2.847 5.810 1.00 0.00 N ATOM 337 CA VAL A 24 5.418 -1.609 6.208 1.00 0.00 C ATOM 338 C VAL A 24 3.929 -1.829 6.456 1.00 0.00 C ATOM 339 O VAL A 24 3.238 -2.452 5.648 1.00 0.00 O ATOM 340 CB VAL A 24 5.591 -0.506 5.141 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.063 -0.211 4.902 1.00 0.00 C ATOM 342 CG2 VAL A 24 4.906 -0.900 3.841 1.00 0.00 C ATOM 0 H VAL A 24 5.527 -3.442 5.192 1.00 0.00 H new ATOM 0 HA VAL A 24 5.893 -1.287 7.134 1.00 0.00 H new ATOM 0 HB VAL A 24 5.118 0.402 5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.160 0.569 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.522 0.125 5.832 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.564 -1.115 4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.041 -0.108 3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.344 -1.824 3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.842 -1.050 4.022 1.00 0.00 H new ATOM 352 N THR A 25 3.438 -1.309 7.575 1.00 0.00 N ATOM 353 CA THR A 25 2.030 -1.443 7.920 1.00 0.00 C ATOM 354 C THR A 25 1.218 -0.306 7.306 1.00 0.00 C ATOM 355 O THR A 25 1.445 0.864 7.613 1.00 0.00 O ATOM 356 CB THR A 25 1.824 -1.447 9.447 1.00 0.00 C ATOM 357 OG1 THR A 25 2.564 -2.523 10.037 1.00 0.00 O ATOM 358 CG2 THR A 25 0.349 -1.590 9.796 1.00 0.00 C ATOM 0 H THR A 25 3.994 -0.792 8.257 1.00 0.00 H new ATOM 0 HA THR A 25 1.686 -2.396 7.518 1.00 0.00 H new ATOM 0 HB THR A 25 2.184 -0.497 9.842 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.430 -2.519 11.008 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.230 -1.590 10.879 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.208 -0.756 9.370 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.032 -2.527 9.389 1.00 0.00 H new ATOM 366 N ILE A 26 0.274 -0.657 6.439 1.00 0.00 N ATOM 367 CA ILE A 26 -0.566 0.340 5.787 1.00 0.00 C ATOM 368 C ILE A 26 -1.694 0.792 6.708 1.00 0.00 C ATOM 369 O ILE A 26 -2.285 -0.016 7.424 1.00 0.00 O ATOM 370 CB ILE A 26 -1.167 -0.193 4.471 1.00 0.00 C ATOM 371 CG1 ILE A 26 -0.051 -0.610 3.508 1.00 0.00 C ATOM 372 CG2 ILE A 26 -2.058 0.864 3.830 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.556 -1.168 2.193 1.00 0.00 C ATOM 0 H ILE A 26 0.072 -1.621 6.173 1.00 0.00 H new ATOM 0 HA ILE A 26 0.076 1.191 5.558 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.776 -1.069 4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.584 0.253 3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.574 -1.359 3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.475 0.474 2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.868 1.120 4.513 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.469 1.756 3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.291 -1.441 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.166 -2.051 2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.157 -0.414 1.685 1.00 0.00 H new ATOM 385 N ARG A 27 -1.988 2.087 6.680 1.00 0.00 N ATOM 386 CA ARG A 27 -3.045 2.652 7.510 1.00 0.00 C ATOM 387 C ARG A 27 -3.815 3.723 6.746 1.00 0.00 C ATOM 388 O ARG A 27 -3.219 4.568 6.076 1.00 0.00 O ATOM 389 CB ARG A 27 -2.453 3.256 8.786 1.00 0.00 C ATOM 390 CG ARG A 27 -1.711 2.255 9.658 1.00 0.00 C ATOM 391 CD ARG A 27 -2.648 1.204 10.232 1.00 0.00 C ATOM 392 NE ARG A 27 -3.714 1.801 11.031 1.00 0.00 N ATOM 393 CZ ARG A 27 -4.620 1.093 11.701 1.00 0.00 C ATOM 394 NH1 ARG A 27 -4.579 -0.233 11.680 1.00 0.00 N ATOM 395 NH2 ARG A 27 -5.565 1.711 12.395 1.00 0.00 N ATOM 0 H ARG A 27 -1.508 2.767 6.090 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.732 1.849 7.778 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.770 4.060 8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.256 3.705 9.370 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.933 1.767 9.070 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.212 2.781 10.472 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.085 0.625 9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.079 0.508 10.849 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.767 2.818 11.078 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.852 -0.712 11.149 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.275 -0.773 12.195 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.598 2.730 12.416 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.259 1.167 12.908 1.00 0.00 H new ATOM 409 N GLY A 28 -5.138 3.685 6.850 1.00 0.00 N ATOM 410 CA GLY A 28 -5.964 4.659 6.161 1.00 0.00 C ATOM 411 C GLY A 28 -7.439 4.503 6.478 1.00 0.00 C ATOM 412 O GLY A 28 -7.815 4.339 7.638 1.00 0.00 O ATOM 0 H GLY A 28 -5.654 2.997 7.399 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.641 5.663 6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.815 4.560 5.086 1.00 0.00 H new ATOM 416 N GLU A 29 -8.274 4.555 5.444 1.00 0.00 N ATOM 417 CA GLU A 29 -9.718 4.422 5.612 1.00 0.00 C ATOM 418 C GLU A 29 -10.361 3.774 4.388 1.00 0.00 C ATOM 419 O GLU A 29 -10.043 4.120 3.251 1.00 0.00 O ATOM 420 CB GLU A 29 -10.355 5.795 5.854 1.00 0.00 C ATOM 421 CG GLU A 29 -9.951 6.444 7.168 1.00 0.00 C ATOM 422 CD GLU A 29 -10.477 5.692 8.375 1.00 0.00 C ATOM 423 OE1 GLU A 29 -11.709 5.511 8.472 1.00 0.00 O ATOM 424 OE2 GLU A 29 -9.657 5.288 9.228 1.00 0.00 O ATOM 0 H GLU A 29 -7.974 4.689 4.478 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.892 3.781 6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.083 6.460 5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.440 5.689 5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.864 6.498 7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.322 7.468 7.192 1.00 0.00 H new ATOM 431 N ASN A 30 -11.279 2.845 4.639 1.00 0.00 N ATOM 432 CA ASN A 30 -12.000 2.146 3.577 1.00 0.00 C ATOM 433 C ASN A 30 -11.070 1.310 2.696 1.00 0.00 C ATOM 434 O ASN A 30 -11.290 1.194 1.490 1.00 0.00 O ATOM 435 CB ASN A 30 -12.765 3.147 2.710 1.00 0.00 C ATOM 436 CG ASN A 30 -13.762 3.965 3.509 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.675 3.421 4.129 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.589 5.283 3.497 1.00 0.00 N ATOM 0 H ASN A 30 -11.544 2.555 5.580 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.699 1.464 4.061 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.056 3.818 2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.290 2.611 1.920 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.227 5.886 4.016 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.818 5.691 2.969 1.00 0.00 H new ATOM 445 N LEU A 31 -10.048 0.707 3.299 1.00 0.00 N ATOM 446 CA LEU A 31 -9.116 -0.135 2.553 1.00 0.00 C ATOM 447 C LEU A 31 -9.686 -1.540 2.380 1.00 0.00 C ATOM 448 O LEU A 31 -9.108 -2.521 2.852 1.00 0.00 O ATOM 449 CB LEU A 31 -7.748 -0.198 3.241 1.00 0.00 C ATOM 450 CG LEU A 31 -6.877 1.050 3.072 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.477 2.235 3.810 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.461 0.780 3.556 1.00 0.00 C ATOM 0 H LEU A 31 -9.845 0.785 4.296 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.978 0.313 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.902 -0.373 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.203 -1.058 2.852 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.839 1.297 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.840 3.109 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.470 2.445 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.552 2.002 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.856 1.677 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.483 0.504 4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.028 -0.035 2.977 1.00 0.00 H new ATOM 464 N GLY A 32 -10.830 -1.625 1.709 1.00 0.00 N ATOM 465 CA GLY A 32 -11.477 -2.906 1.489 1.00 0.00 C ATOM 466 C GLY A 32 -12.255 -3.369 2.705 1.00 0.00 C ATOM 467 O GLY A 32 -11.693 -3.527 3.789 1.00 0.00 O ATOM 0 H GLY A 32 -11.323 -0.825 1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.151 -2.829 0.636 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.725 -3.653 1.235 1.00 0.00 H new ATOM 471 N THR A 33 -13.555 -3.582 2.523 1.00 0.00 N ATOM 472 CA THR A 33 -14.419 -4.023 3.612 1.00 0.00 C ATOM 473 C THR A 33 -14.520 -5.545 3.656 1.00 0.00 C ATOM 474 O THR A 33 -15.563 -6.098 4.005 1.00 0.00 O ATOM 475 CB THR A 33 -15.834 -3.433 3.466 1.00 0.00 C ATOM 476 OG1 THR A 33 -16.491 -4.013 2.332 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.772 -1.923 3.294 1.00 0.00 C ATOM 0 H THR A 33 -14.033 -3.456 1.631 1.00 0.00 H new ATOM 0 HA THR A 33 -13.971 -3.667 4.540 1.00 0.00 H new ATOM 0 HB THR A 33 -16.395 -3.662 4.372 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.391 -3.634 2.246 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.782 -1.527 3.193 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.293 -1.477 4.166 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.196 -1.682 2.400 1.00 0.00 H new ATOM 485 N GLY A 34 -13.432 -6.219 3.294 1.00 0.00 N ATOM 486 CA GLY A 34 -13.430 -7.672 3.295 1.00 0.00 C ATOM 487 C GLY A 34 -12.275 -8.252 2.498 1.00 0.00 C ATOM 488 O GLY A 34 -11.821 -7.640 1.532 1.00 0.00 O ATOM 0 H GLY A 34 -12.555 -5.788 3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.375 -8.031 4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.371 -8.034 2.881 1.00 0.00 H new ATOM 492 N PRO A 35 -11.777 -9.444 2.879 1.00 0.00 N ATOM 493 CA PRO A 35 -10.668 -10.096 2.176 1.00 0.00 C ATOM 494 C PRO A 35 -10.929 -10.202 0.679 1.00 0.00 C ATOM 495 O PRO A 35 -10.057 -9.913 -0.140 1.00 0.00 O ATOM 496 CB PRO A 35 -10.613 -11.492 2.800 1.00 0.00 C ATOM 497 CG PRO A 35 -11.249 -11.348 4.140 1.00 0.00 C ATOM 498 CD PRO A 35 -12.264 -10.245 4.018 1.00 0.00 C ATOM 0 HA PRO A 35 -9.738 -9.536 2.275 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.147 -12.218 2.187 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.585 -11.843 2.888 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.725 -12.280 4.445 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.504 -11.107 4.898 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -13.263 -10.639 3.832 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.321 -9.651 4.930 1.00 0.00 H new ATOM 506 N THR A 36 -12.144 -10.614 0.334 1.00 0.00 N ATOM 507 CA THR A 36 -12.543 -10.757 -1.059 1.00 0.00 C ATOM 508 C THR A 36 -12.542 -9.410 -1.775 1.00 0.00 C ATOM 509 O THR A 36 -12.161 -9.320 -2.942 1.00 0.00 O ATOM 510 CB THR A 36 -13.938 -11.396 -1.174 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.386 -11.361 -2.535 1.00 0.00 O ATOM 512 CG2 THR A 36 -14.938 -10.678 -0.279 1.00 0.00 C ATOM 0 H THR A 36 -12.873 -10.856 1.005 1.00 0.00 H new ATOM 0 HA THR A 36 -11.813 -11.411 -1.536 1.00 0.00 H new ATOM 0 HB THR A 36 -13.866 -12.433 -0.848 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.274 -11.771 -2.598 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.917 -11.147 -0.377 1.00 0.00 H new ATOM 0 HG22 THR A 36 -14.608 -10.740 0.758 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.006 -9.631 -0.576 1.00 0.00 H new ATOM 520 N ASP A 37 -12.970 -8.366 -1.068 1.00 0.00 N ATOM 521 CA ASP A 37 -13.013 -7.025 -1.641 1.00 0.00 C ATOM 522 C ASP A 37 -11.649 -6.630 -2.194 1.00 0.00 C ATOM 523 O ASP A 37 -11.527 -6.275 -3.364 1.00 0.00 O ATOM 524 CB ASP A 37 -13.474 -6.011 -0.594 1.00 0.00 C ATOM 525 CG ASP A 37 -14.904 -6.255 -0.151 1.00 0.00 C ATOM 526 OD1 ASP A 37 -15.809 -6.199 -1.010 1.00 0.00 O ATOM 527 OD2 ASP A 37 -15.120 -6.506 1.052 1.00 0.00 O ATOM 0 H ASP A 37 -13.290 -8.424 -0.101 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.729 -7.029 -2.463 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.814 -6.060 0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -13.389 -5.004 -1.003 1.00 0.00 H new ATOM 532 N LEU A 38 -10.617 -6.715 -1.361 1.00 0.00 N ATOM 533 CA LEU A 38 -9.272 -6.383 -1.805 1.00 0.00 C ATOM 534 C LEU A 38 -8.875 -7.319 -2.941 1.00 0.00 C ATOM 535 O LEU A 38 -8.982 -8.539 -2.816 1.00 0.00 O ATOM 536 CB LEU A 38 -8.280 -6.477 -0.635 1.00 0.00 C ATOM 537 CG LEU A 38 -6.820 -6.119 -0.955 1.00 0.00 C ATOM 538 CD1 LEU A 38 -6.116 -7.278 -1.642 1.00 0.00 C ATOM 539 CD2 LEU A 38 -6.746 -4.864 -1.815 1.00 0.00 C ATOM 0 H LEU A 38 -10.686 -7.008 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.251 -5.356 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.627 -5.820 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.306 -7.494 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.309 -5.919 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.084 -7.000 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.128 -8.150 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.630 -7.516 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.703 -4.630 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.279 -5.032 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.203 -4.030 -1.282 1.00 0.00 H new ATOM 551 N ILE A 39 -8.442 -6.743 -4.056 1.00 0.00 N ATOM 552 CA ILE A 39 -8.061 -7.534 -5.220 1.00 0.00 C ATOM 553 C ILE A 39 -6.794 -6.998 -5.875 1.00 0.00 C ATOM 554 O ILE A 39 -6.073 -7.737 -6.545 1.00 0.00 O ATOM 555 CB ILE A 39 -9.189 -7.553 -6.274 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.452 -6.138 -6.797 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.461 -8.150 -5.686 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.474 -6.083 -7.914 1.00 0.00 C ATOM 0 H ILE A 39 -8.346 -5.735 -4.179 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.877 -8.546 -4.859 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.872 -8.178 -7.109 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.794 -5.513 -5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.514 -5.711 -7.153 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.245 -8.155 -6.444 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.266 -9.171 -5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.784 -7.552 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.609 -5.050 -8.234 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.125 -6.681 -8.756 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.425 -6.479 -7.557 1.00 0.00 H new ATOM 570 N GLY A 40 -6.536 -5.708 -5.695 1.00 0.00 N ATOM 571 CA GLY A 40 -5.364 -5.102 -6.296 1.00 0.00 C ATOM 572 C GLY A 40 -4.511 -4.343 -5.302 1.00 0.00 C ATOM 573 O GLY A 40 -5.029 -3.687 -4.397 1.00 0.00 O ATOM 0 H GLY A 40 -7.115 -5.073 -5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.760 -5.879 -6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.679 -4.423 -7.088 1.00 0.00 H new ATOM 577 N LEU A 41 -3.197 -4.433 -5.477 1.00 0.00 N ATOM 578 CA LEU A 41 -2.255 -3.752 -4.600 1.00 0.00 C ATOM 579 C LEU A 41 -0.994 -3.386 -5.379 1.00 0.00 C ATOM 580 O LEU A 41 -0.429 -4.219 -6.088 1.00 0.00 O ATOM 581 CB LEU A 41 -1.908 -4.651 -3.404 1.00 0.00 C ATOM 582 CG LEU A 41 -1.263 -3.954 -2.198 1.00 0.00 C ATOM 583 CD1 LEU A 41 0.120 -3.420 -2.540 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.155 -2.830 -1.690 1.00 0.00 C ATOM 0 H LEU A 41 -2.760 -4.974 -6.223 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.711 -2.836 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.821 -5.142 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.233 -5.434 -3.749 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.149 -4.696 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.549 -2.932 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.763 -4.245 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.041 -2.699 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.681 -2.348 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.304 -2.097 -2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.119 -3.239 -1.388 1.00 0.00 H new ATOM 596 N THR A 42 -0.562 -2.136 -5.246 1.00 0.00 N ATOM 597 CA THR A 42 0.627 -1.656 -5.941 1.00 0.00 C ATOM 598 C THR A 42 1.311 -0.535 -5.173 1.00 0.00 C ATOM 599 O THR A 42 0.659 0.280 -4.520 1.00 0.00 O ATOM 600 CB THR A 42 0.300 -1.148 -7.359 1.00 0.00 C ATOM 601 OG1 THR A 42 -0.928 -0.410 -7.348 1.00 0.00 O ATOM 602 CG2 THR A 42 0.211 -2.297 -8.352 1.00 0.00 C ATOM 0 H THR A 42 -1.019 -1.436 -4.662 1.00 0.00 H new ATOM 0 HA THR A 42 1.298 -2.512 -6.012 1.00 0.00 H new ATOM 0 HB THR A 42 1.110 -0.492 -7.676 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.126 -0.090 -8.253 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.021 -1.905 -9.342 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.164 -2.824 -8.385 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.574 -2.986 -8.042 1.00 0.00 H new ATOM 610 N ILE A 43 2.635 -0.496 -5.272 1.00 0.00 N ATOM 611 CA ILE A 43 3.428 0.527 -4.609 1.00 0.00 C ATOM 612 C ILE A 43 4.514 1.024 -5.551 1.00 0.00 C ATOM 613 O ILE A 43 5.312 0.238 -6.062 1.00 0.00 O ATOM 614 CB ILE A 43 4.076 -0.006 -3.315 1.00 0.00 C ATOM 615 CG1 ILE A 43 2.991 -0.432 -2.322 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.988 1.049 -2.702 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.534 -1.049 -1.050 1.00 0.00 C ATOM 0 H ILE A 43 3.183 -1.167 -5.810 1.00 0.00 H new ATOM 0 HA ILE A 43 2.760 1.346 -4.341 1.00 0.00 H new ATOM 0 HB ILE A 43 4.684 -0.878 -3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.387 0.438 -2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.328 -1.148 -2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.437 0.656 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.774 1.307 -3.411 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.406 1.940 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.706 -1.325 -0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.114 -1.938 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.173 -0.328 -0.540 1.00 0.00 H new ATOM 629 N CYS A 44 4.527 2.330 -5.793 1.00 0.00 N ATOM 630 CA CYS A 44 5.504 2.925 -6.693 1.00 0.00 C ATOM 631 C CYS A 44 5.412 2.281 -8.073 1.00 0.00 C ATOM 632 O CYS A 44 6.426 2.038 -8.727 1.00 0.00 O ATOM 633 CB CYS A 44 6.917 2.773 -6.130 1.00 0.00 C ATOM 634 SG CYS A 44 7.162 3.569 -4.526 1.00 0.00 S ATOM 0 H CYS A 44 3.873 2.994 -5.379 1.00 0.00 H new ATOM 0 HA CYS A 44 5.284 3.988 -6.787 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.147 1.712 -6.036 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.628 3.191 -6.843 1.00 0.00 H new ATOM 0 HG CYS A 44 6.012 3.933 -4.042 1.00 0.00 H new ATOM 640 N GLY A 45 4.183 2.012 -8.511 1.00 0.00 N ATOM 641 CA GLY A 45 3.969 1.405 -9.814 1.00 0.00 C ATOM 642 C GLY A 45 4.231 -0.091 -9.837 1.00 0.00 C ATOM 643 O GLY A 45 3.604 -0.821 -10.606 1.00 0.00 O ATOM 0 H GLY A 45 3.331 2.204 -7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.942 1.591 -10.128 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.618 1.891 -10.543 1.00 0.00 H new ATOM 647 N HIS A 46 5.162 -0.550 -9.008 1.00 0.00 N ATOM 648 CA HIS A 46 5.506 -1.967 -8.956 1.00 0.00 C ATOM 649 C HIS A 46 4.412 -2.778 -8.264 1.00 0.00 C ATOM 650 O HIS A 46 3.954 -2.422 -7.179 1.00 0.00 O ATOM 651 CB HIS A 46 6.840 -2.160 -8.234 1.00 0.00 C ATOM 652 CG HIS A 46 7.316 -3.581 -8.226 1.00 0.00 C ATOM 653 ND1 HIS A 46 7.637 -4.273 -9.376 1.00 0.00 N ATOM 654 CD2 HIS A 46 7.523 -4.442 -7.201 1.00 0.00 C ATOM 655 CE1 HIS A 46 8.022 -5.496 -9.058 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.962 -5.623 -7.745 1.00 0.00 N ATOM 0 H HIS A 46 5.692 0.037 -8.364 1.00 0.00 H new ATOM 0 HA HIS A 46 5.598 -2.329 -9.980 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.595 -1.535 -8.710 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.741 -1.813 -7.206 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.371 -4.237 -6.152 1.00 0.00 H new ATOM 0 HE1 HIS A 46 8.333 -6.262 -9.753 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.203 -6.463 -7.220 1.00 0.00 H new ATOM 665 N ASN A 47 4.004 -3.872 -8.900 1.00 0.00 N ATOM 666 CA ASN A 47 2.968 -4.741 -8.349 1.00 0.00 C ATOM 667 C ASN A 47 3.498 -5.534 -7.158 1.00 0.00 C ATOM 668 O ASN A 47 4.638 -6.003 -7.172 1.00 0.00 O ATOM 669 CB ASN A 47 2.447 -5.700 -9.423 1.00 0.00 C ATOM 670 CG ASN A 47 1.870 -4.970 -10.620 1.00 0.00 C ATOM 671 OD1 ASN A 47 2.567 -4.217 -11.298 1.00 0.00 O ATOM 672 ND2 ASN A 47 0.586 -5.189 -10.885 1.00 0.00 N ATOM 0 H ASN A 47 4.375 -4.179 -9.799 1.00 0.00 H new ATOM 0 HA ASN A 47 2.147 -4.110 -8.007 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.259 -6.347 -9.753 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.682 -6.344 -8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.142 -4.724 -11.677 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.044 -5.822 -10.296 1.00 0.00 H new ATOM 679 N CYS A 48 2.665 -5.686 -6.131 1.00 0.00 N ATOM 680 CA CYS A 48 3.049 -6.428 -4.932 1.00 0.00 C ATOM 681 C CYS A 48 1.827 -7.067 -4.276 1.00 0.00 C ATOM 682 O CYS A 48 1.704 -7.084 -3.050 1.00 0.00 O ATOM 683 CB CYS A 48 3.747 -5.504 -3.932 1.00 0.00 C ATOM 684 SG CYS A 48 5.286 -4.774 -4.539 1.00 0.00 S ATOM 0 H CYS A 48 1.719 -5.305 -6.105 1.00 0.00 H new ATOM 0 HA CYS A 48 3.739 -7.217 -5.231 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.062 -4.702 -3.658 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.960 -6.067 -3.023 1.00 0.00 H new ATOM 0 HG CYS A 48 5.490 -5.149 -5.767 1.00 0.00 H new ATOM 690 N LEU A 49 0.924 -7.590 -5.101 1.00 0.00 N ATOM 691 CA LEU A 49 -0.292 -8.229 -4.608 1.00 0.00 C ATOM 692 C LEU A 49 0.015 -9.565 -3.936 1.00 0.00 C ATOM 693 O LEU A 49 -0.549 -9.887 -2.889 1.00 0.00 O ATOM 694 CB LEU A 49 -1.285 -8.443 -5.754 1.00 0.00 C ATOM 695 CG LEU A 49 -2.603 -9.114 -5.358 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.388 -8.229 -4.400 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.430 -9.432 -6.594 1.00 0.00 C ATOM 0 H LEU A 49 1.012 -7.584 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.736 -7.566 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.509 -7.476 -6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.804 -9.049 -6.522 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.374 -10.050 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.321 -8.723 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.798 -8.053 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.608 -7.276 -4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.363 -9.909 -6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.650 -8.510 -7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.870 -10.106 -7.243 1.00 0.00 H new ATOM 709 N LEU A 50 0.900 -10.344 -4.554 1.00 0.00 N ATOM 710 CA LEU A 50 1.273 -11.656 -4.027 1.00 0.00 C ATOM 711 C LEU A 50 1.676 -11.573 -2.556 1.00 0.00 C ATOM 712 O LEU A 50 1.286 -12.418 -1.749 1.00 0.00 O ATOM 713 CB LEU A 50 2.415 -12.270 -4.850 1.00 0.00 C ATOM 714 CG LEU A 50 3.771 -11.559 -4.754 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.864 -12.422 -5.365 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.726 -10.205 -5.449 1.00 0.00 C ATOM 0 H LEU A 50 1.373 -10.090 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 50 0.396 -12.299 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.547 -13.305 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.111 -12.291 -5.897 1.00 0.00 H new ATOM 0 HG LEU A 50 3.994 -11.397 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.821 -11.905 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.921 -13.370 -4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.635 -12.611 -6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.699 -9.721 -5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.478 -10.344 -6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.969 -9.579 -4.977 1.00 0.00 H new ATOM 728 N THR A 51 2.457 -10.554 -2.213 1.00 0.00 N ATOM 729 CA THR A 51 2.910 -10.366 -0.838 1.00 0.00 C ATOM 730 C THR A 51 1.829 -9.712 0.018 1.00 0.00 C ATOM 731 O THR A 51 1.736 -9.969 1.219 1.00 0.00 O ATOM 732 CB THR A 51 4.189 -9.508 -0.777 1.00 0.00 C ATOM 733 OG1 THR A 51 3.965 -8.247 -1.418 1.00 0.00 O ATOM 734 CG2 THR A 51 5.358 -10.222 -1.443 1.00 0.00 C ATOM 0 H THR A 51 2.790 -9.846 -2.867 1.00 0.00 H new ATOM 0 HA THR A 51 3.129 -11.358 -0.443 1.00 0.00 H new ATOM 0 HB THR A 51 4.437 -9.344 0.272 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.083 -8.250 -1.846 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.248 -9.595 -1.386 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.546 -11.166 -0.932 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.118 -10.417 -2.488 1.00 0.00 H new ATOM 742 N ALA A 52 1.021 -8.857 -0.607 1.00 0.00 N ATOM 743 CA ALA A 52 -0.049 -8.155 0.097 1.00 0.00 C ATOM 744 C ALA A 52 -1.003 -9.125 0.789 1.00 0.00 C ATOM 745 O ALA A 52 -1.480 -10.085 0.185 1.00 0.00 O ATOM 746 CB ALA A 52 -0.816 -7.265 -0.869 1.00 0.00 C ATOM 0 H ALA A 52 1.088 -8.634 -1.600 1.00 0.00 H new ATOM 0 HA ALA A 52 0.412 -7.538 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.611 -6.747 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.137 -6.533 -1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.250 -7.876 -1.660 1.00 0.00 H new ATOM 752 N GLU A 53 -1.282 -8.853 2.060 1.00 0.00 N ATOM 753 CA GLU A 53 -2.186 -9.679 2.851 1.00 0.00 C ATOM 754 C GLU A 53 -3.270 -8.814 3.486 1.00 0.00 C ATOM 755 O GLU A 53 -2.978 -7.771 4.071 1.00 0.00 O ATOM 756 CB GLU A 53 -1.412 -10.432 3.933 1.00 0.00 C ATOM 757 CG GLU A 53 -2.285 -11.338 4.786 1.00 0.00 C ATOM 758 CD GLU A 53 -1.496 -12.080 5.847 1.00 0.00 C ATOM 759 OE1 GLU A 53 -0.264 -11.885 5.918 1.00 0.00 O ATOM 760 OE2 GLU A 53 -2.111 -12.857 6.608 1.00 0.00 O ATOM 0 H GLU A 53 -0.891 -8.059 2.567 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.658 -10.407 2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.633 -11.031 3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.911 -9.711 4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.060 -10.741 5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.790 -12.059 4.143 1.00 0.00 H new ATOM 767 N TRP A 54 -4.519 -9.245 3.359 1.00 0.00 N ATOM 768 CA TRP A 54 -5.644 -8.500 3.915 1.00 0.00 C ATOM 769 C TRP A 54 -5.678 -8.599 5.438 1.00 0.00 C ATOM 770 O TRP A 54 -5.307 -9.624 6.012 1.00 0.00 O ATOM 771 CB TRP A 54 -6.961 -9.015 3.335 1.00 0.00 C ATOM 772 CG TRP A 54 -8.123 -8.120 3.632 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.522 -7.030 2.912 1.00 0.00 C ATOM 774 CD2 TRP A 54 -9.021 -8.220 4.742 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.624 -6.454 3.501 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.948 -7.168 4.626 1.00 0.00 C ATOM 777 CE3 TRP A 54 -9.135 -9.103 5.819 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.974 -6.975 5.547 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -10.152 -8.910 6.733 1.00 0.00 C ATOM 780 CH2 TRP A 54 -11.060 -7.853 6.592 1.00 0.00 C ATOM 0 H TRP A 54 -4.779 -10.105 2.877 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.514 -7.453 3.643 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.859 -9.121 2.255 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.164 -10.008 3.735 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.043 -6.673 2.012 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.119 -5.631 3.157 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.440 -9.922 5.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.676 -6.162 5.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.249 -9.585 7.570 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.844 -7.729 7.324 1.00 0.00 H new ATOM 791 N MET A 55 -6.134 -7.530 6.087 1.00 0.00 N ATOM 792 CA MET A 55 -6.230 -7.494 7.544 1.00 0.00 C ATOM 793 C MET A 55 -7.578 -6.938 7.991 1.00 0.00 C ATOM 794 O MET A 55 -8.264 -7.538 8.819 1.00 0.00 O ATOM 795 CB MET A 55 -5.109 -6.643 8.141 1.00 0.00 C ATOM 796 CG MET A 55 -3.730 -7.264 8.014 1.00 0.00 C ATOM 797 SD MET A 55 -3.593 -8.828 8.900 1.00 0.00 S ATOM 798 CE MET A 55 -1.841 -9.150 8.735 1.00 0.00 C ATOM 0 H MET A 55 -6.444 -6.675 5.625 1.00 0.00 H new ATOM 0 HA MET A 55 -6.133 -8.519 7.903 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.105 -5.670 7.650 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.322 -6.468 9.196 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.504 -7.426 6.960 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.984 -6.567 8.397 1.00 0.00 H new ATOM 0 HE1 MET A 55 -1.651 -10.213 8.885 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.510 -8.859 7.738 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.293 -8.575 9.482 1.00 0.00 H new ATOM 808 N SER A 56 -7.951 -5.790 7.435 1.00 0.00 N ATOM 809 CA SER A 56 -9.218 -5.149 7.773 1.00 0.00 C ATOM 810 C SER A 56 -9.517 -4.004 6.810 1.00 0.00 C ATOM 811 O SER A 56 -9.021 -3.985 5.682 1.00 0.00 O ATOM 812 CB SER A 56 -9.183 -4.629 9.213 1.00 0.00 C ATOM 813 OG SER A 56 -8.130 -3.698 9.392 1.00 0.00 O ATOM 0 H SER A 56 -7.393 -5.283 6.747 1.00 0.00 H new ATOM 0 HA SER A 56 -10.011 -5.892 7.685 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.135 -4.157 9.456 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.056 -5.464 9.902 1.00 0.00 H new ATOM 0 HG SER A 56 -8.129 -3.379 10.319 1.00 0.00 H new ATOM 819 N ALA A 57 -10.331 -3.050 7.255 1.00 0.00 N ATOM 820 CA ALA A 57 -10.689 -1.909 6.423 1.00 0.00 C ATOM 821 C ALA A 57 -9.796 -0.709 6.721 1.00 0.00 C ATOM 822 O ALA A 57 -10.223 0.439 6.592 1.00 0.00 O ATOM 823 CB ALA A 57 -12.152 -1.545 6.627 1.00 0.00 C ATOM 0 H ALA A 57 -10.753 -3.046 8.184 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.538 -2.190 5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.405 -0.691 5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.779 -2.394 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.321 -1.289 7.673 1.00 0.00 H new ATOM 829 N SER A 58 -8.552 -0.981 7.111 1.00 0.00 N ATOM 830 CA SER A 58 -7.594 0.077 7.423 1.00 0.00 C ATOM 831 C SER A 58 -6.238 -0.508 7.813 1.00 0.00 C ATOM 832 O SER A 58 -5.512 0.069 8.624 1.00 0.00 O ATOM 833 CB SER A 58 -8.121 0.958 8.558 1.00 0.00 C ATOM 834 OG SER A 58 -8.333 0.201 9.737 1.00 0.00 O ATOM 0 H SER A 58 -8.184 -1.926 7.218 1.00 0.00 H new ATOM 0 HA SER A 58 -7.466 0.685 6.527 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.410 1.759 8.760 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.055 1.430 8.252 1.00 0.00 H new ATOM 0 HG SER A 58 -8.668 0.788 10.447 1.00 0.00 H new ATOM 840 N LYS A 59 -5.901 -1.653 7.227 1.00 0.00 N ATOM 841 CA LYS A 59 -4.630 -2.313 7.507 1.00 0.00 C ATOM 842 C LYS A 59 -4.335 -3.379 6.458 1.00 0.00 C ATOM 843 O LYS A 59 -5.171 -4.243 6.191 1.00 0.00 O ATOM 844 CB LYS A 59 -4.652 -2.957 8.896 1.00 0.00 C ATOM 845 CG LYS A 59 -3.343 -3.639 9.268 1.00 0.00 C ATOM 846 CD LYS A 59 -3.435 -4.337 10.616 1.00 0.00 C ATOM 847 CE LYS A 59 -2.089 -4.894 11.050 1.00 0.00 C ATOM 848 NZ LYS A 59 -1.571 -5.912 10.094 1.00 0.00 N ATOM 0 H LYS A 59 -6.491 -2.143 6.555 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.846 -1.556 7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.878 -2.192 9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.459 -3.689 8.936 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.080 -4.366 8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.542 -2.900 9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.798 -3.634 11.366 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.163 -5.146 10.559 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.370 -4.079 11.136 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.184 -5.341 12.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.636 -6.241 10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.227 -6.718 10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.487 -5.489 9.148 1.00 0.00 H new ATOM 862 N ILE A 60 -3.141 -3.321 5.873 1.00 0.00 N ATOM 863 CA ILE A 60 -2.738 -4.291 4.859 1.00 0.00 C ATOM 864 C ILE A 60 -1.223 -4.474 4.853 1.00 0.00 C ATOM 865 O ILE A 60 -0.480 -3.552 4.514 1.00 0.00 O ATOM 866 CB ILE A 60 -3.178 -3.861 3.439 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.689 -3.622 3.380 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.767 -4.915 2.420 1.00 0.00 C ATOM 869 CD1 ILE A 60 -5.172 -3.113 2.037 1.00 0.00 C ATOM 0 H ILE A 60 -2.437 -2.614 6.084 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.231 -5.228 5.118 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.679 -2.923 3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.205 -4.554 3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.965 -2.903 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.082 -4.601 1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.684 -5.034 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.241 -5.865 2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.252 -2.967 2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.684 -2.165 1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.928 -3.841 1.263 1.00 0.00 H new ATOM 881 N VAL A 61 -0.771 -5.673 5.209 1.00 0.00 N ATOM 882 CA VAL A 61 0.654 -5.976 5.221 1.00 0.00 C ATOM 883 C VAL A 61 1.134 -6.289 3.810 1.00 0.00 C ATOM 884 O VAL A 61 0.510 -7.073 3.100 1.00 0.00 O ATOM 885 CB VAL A 61 0.973 -7.172 6.142 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.458 -7.502 6.099 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.530 -6.881 7.568 1.00 0.00 C ATOM 0 H VAL A 61 -1.370 -6.448 5.492 1.00 0.00 H new ATOM 0 HA VAL A 61 1.173 -5.098 5.605 1.00 0.00 H new ATOM 0 HB VAL A 61 0.420 -8.039 5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.662 -8.348 6.755 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.745 -7.757 5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.033 -6.638 6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.763 -7.736 8.203 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.054 -6.000 7.939 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.544 -6.699 7.585 1.00 0.00 H new ATOM 897 N CYS A 62 2.236 -5.676 3.401 1.00 0.00 N ATOM 898 CA CYS A 62 2.769 -5.904 2.064 1.00 0.00 C ATOM 899 C CYS A 62 4.162 -5.314 1.914 1.00 0.00 C ATOM 900 O CYS A 62 4.530 -4.371 2.615 1.00 0.00 O ATOM 901 CB CYS A 62 1.838 -5.303 1.008 1.00 0.00 C ATOM 902 SG CYS A 62 1.646 -3.509 1.130 1.00 0.00 S ATOM 0 H CYS A 62 2.775 -5.023 3.969 1.00 0.00 H new ATOM 0 HA CYS A 62 2.835 -6.982 1.916 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.221 -5.550 0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.857 -5.770 1.096 1.00 0.00 H new ATOM 0 HG CYS A 62 2.665 -3.005 1.760 1.00 0.00 H new ATOM 908 N ARG A 63 4.927 -5.874 0.986 1.00 0.00 N ATOM 909 CA ARG A 63 6.274 -5.415 0.722 1.00 0.00 C ATOM 910 C ARG A 63 6.250 -4.227 -0.234 1.00 0.00 C ATOM 911 O ARG A 63 5.667 -4.304 -1.316 1.00 0.00 O ATOM 912 CB ARG A 63 7.088 -6.561 0.120 1.00 0.00 C ATOM 913 CG ARG A 63 8.367 -6.106 -0.548 1.00 0.00 C ATOM 914 CD ARG A 63 9.034 -7.239 -1.312 1.00 0.00 C ATOM 915 NE ARG A 63 8.198 -7.722 -2.407 1.00 0.00 N ATOM 916 CZ ARG A 63 8.561 -8.690 -3.243 1.00 0.00 C ATOM 917 NH1 ARG A 63 9.742 -9.276 -3.113 1.00 0.00 N ATOM 918 NH2 ARG A 63 7.741 -9.071 -4.214 1.00 0.00 N ATOM 0 H ARG A 63 4.629 -6.654 0.401 1.00 0.00 H new ATOM 0 HA ARG A 63 6.735 -5.095 1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.332 -7.275 0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.474 -7.088 -0.610 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.149 -5.285 -1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.054 -5.720 0.205 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.990 -6.896 -1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.248 -8.061 -0.629 1.00 0.00 H new ATOM 0 HE ARG A 63 7.282 -7.292 -2.538 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.377 -8.985 -2.369 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.017 -10.018 -3.756 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.832 -8.621 -4.319 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.020 -9.814 -4.855 1.00 0.00 H new ATOM 932 N VAL A 64 6.884 -3.131 0.168 1.00 0.00 N ATOM 933 CA VAL A 64 6.928 -1.934 -0.662 1.00 0.00 C ATOM 934 C VAL A 64 7.659 -2.201 -1.971 1.00 0.00 C ATOM 935 O VAL A 64 8.796 -2.670 -1.979 1.00 0.00 O ATOM 936 CB VAL A 64 7.595 -0.753 0.071 1.00 0.00 C ATOM 937 CG1 VAL A 64 6.652 -0.174 1.111 1.00 0.00 C ATOM 938 CG2 VAL A 64 8.901 -1.189 0.720 1.00 0.00 C ATOM 0 H VAL A 64 7.372 -3.047 1.060 1.00 0.00 H new ATOM 0 HA VAL A 64 5.895 -1.664 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 64 7.821 0.021 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.138 0.659 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.744 0.179 0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.396 -0.944 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.354 -0.340 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.702 -1.983 1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.583 -1.557 -0.046 1.00 0.00 H new ATOM 948 N GLY A 65 6.994 -1.900 -3.078 1.00 0.00 N ATOM 949 CA GLY A 65 7.586 -2.115 -4.382 1.00 0.00 C ATOM 950 C GLY A 65 8.683 -1.122 -4.695 1.00 0.00 C ATOM 951 O GLY A 65 8.663 0.011 -4.211 1.00 0.00 O ATOM 0 H GLY A 65 6.052 -1.509 -3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.992 -3.126 -4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.810 -2.046 -5.145 1.00 0.00 H new ATOM 955 N GLN A 66 9.638 -1.551 -5.511 1.00 0.00 N ATOM 956 CA GLN A 66 10.757 -0.703 -5.908 1.00 0.00 C ATOM 957 C GLN A 66 10.266 0.672 -6.349 1.00 0.00 C ATOM 958 O GLN A 66 9.158 0.804 -6.867 1.00 0.00 O ATOM 959 CB GLN A 66 11.532 -1.371 -7.042 1.00 0.00 C ATOM 960 CG GLN A 66 10.675 -1.674 -8.259 1.00 0.00 C ATOM 961 CD GLN A 66 11.452 -2.364 -9.364 1.00 0.00 C ATOM 962 OE1 GLN A 66 11.987 -3.456 -9.172 1.00 0.00 O ATOM 963 NE2 GLN A 66 11.518 -1.730 -10.528 1.00 0.00 N ATOM 0 H GLN A 66 9.660 -2.488 -5.914 1.00 0.00 H new ATOM 0 HA GLN A 66 11.415 -0.571 -5.049 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.357 -0.724 -7.339 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.971 -2.299 -6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.837 -2.305 -7.961 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.254 -0.745 -8.642 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.060 -0.826 -10.643 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.027 -2.147 -11.307 1.00 0.00 H new ATOM 972 N ALA A 67 11.093 1.689 -6.128 1.00 0.00 N ATOM 973 CA ALA A 67 10.749 3.062 -6.491 1.00 0.00 C ATOM 974 C ALA A 67 10.768 3.269 -8.005 1.00 0.00 C ATOM 975 O ALA A 67 11.566 4.051 -8.521 1.00 0.00 O ATOM 976 CB ALA A 67 11.700 4.038 -5.816 1.00 0.00 C ATOM 0 H ALA A 67 12.012 1.588 -5.697 1.00 0.00 H new ATOM 0 HA ALA A 67 9.733 3.251 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.433 5.057 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.628 3.927 -4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 67 12.721 3.830 -6.135 1.00 0.00 H new ATOM 982 N LYS A 68 9.886 2.567 -8.709 1.00 0.00 N ATOM 983 CA LYS A 68 9.800 2.677 -10.159 1.00 0.00 C ATOM 984 C LYS A 68 9.510 4.118 -10.568 1.00 0.00 C ATOM 985 O LYS A 68 10.214 4.695 -11.397 1.00 0.00 O ATOM 986 CB LYS A 68 8.704 1.751 -10.690 1.00 0.00 C ATOM 987 CG LYS A 68 8.588 1.738 -12.205 1.00 0.00 C ATOM 988 CD LYS A 68 9.853 1.206 -12.858 1.00 0.00 C ATOM 989 CE LYS A 68 9.745 1.217 -14.375 1.00 0.00 C ATOM 990 NZ LYS A 68 8.614 0.378 -14.860 1.00 0.00 N ATOM 0 H LYS A 68 9.219 1.914 -8.297 1.00 0.00 H new ATOM 0 HA LYS A 68 10.757 2.379 -10.588 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.899 0.737 -10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.748 2.055 -10.265 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.739 1.122 -12.500 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.389 2.748 -12.564 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.705 1.811 -12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.042 0.189 -12.513 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.611 2.242 -14.721 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.677 0.854 -14.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.695 0.247 -15.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.643 -0.549 -14.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.713 0.850 -14.641 1.00 0.00 H new ATOM 1004 N ASN A 69 8.474 4.693 -9.966 1.00 0.00 N ATOM 1005 CA ASN A 69 8.086 6.069 -10.247 1.00 0.00 C ATOM 1006 C ASN A 69 9.053 7.045 -9.577 1.00 0.00 C ATOM 1007 O ASN A 69 10.258 7.003 -9.824 1.00 0.00 O ATOM 1008 CB ASN A 69 6.651 6.325 -9.776 1.00 0.00 C ATOM 1009 CG ASN A 69 5.642 5.440 -10.478 1.00 0.00 C ATOM 1010 OD1 ASN A 69 5.529 5.455 -11.704 1.00 0.00 O ATOM 1011 ND2 ASN A 69 4.894 4.666 -9.701 1.00 0.00 N ATOM 0 H ASN A 69 7.886 4.224 -9.277 1.00 0.00 H new ATOM 0 HA ASN A 69 8.129 6.228 -11.324 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.590 6.157 -8.701 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.396 7.370 -9.951 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.193 4.053 -10.116 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.021 4.685 -8.689 1.00 0.00 H new ATOM 1018 N ASP A 70 8.522 7.922 -8.727 1.00 0.00 N ATOM 1019 CA ASP A 70 9.341 8.901 -8.025 1.00 0.00 C ATOM 1020 C ASP A 70 8.584 9.482 -6.833 1.00 0.00 C ATOM 1021 O ASP A 70 9.172 9.752 -5.786 1.00 0.00 O ATOM 1022 CB ASP A 70 9.776 10.018 -8.979 1.00 0.00 C ATOM 1023 CG ASP A 70 8.603 10.711 -9.649 1.00 0.00 C ATOM 1024 OD1 ASP A 70 7.788 11.329 -8.933 1.00 0.00 O ATOM 1025 OD2 ASP A 70 8.502 10.636 -10.892 1.00 0.00 O ATOM 0 H ASP A 70 7.527 7.972 -8.509 1.00 0.00 H new ATOM 0 HA ASP A 70 10.233 8.397 -7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.360 10.754 -8.426 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.431 9.601 -9.744 1.00 0.00 H new ATOM 1030 N LYS A 71 7.278 9.666 -7.000 1.00 0.00 N ATOM 1031 CA LYS A 71 6.438 10.208 -5.942 1.00 0.00 C ATOM 1032 C LYS A 71 6.341 9.233 -4.769 1.00 0.00 C ATOM 1033 O LYS A 71 6.409 9.635 -3.609 1.00 0.00 O ATOM 1034 CB LYS A 71 5.043 10.515 -6.490 1.00 0.00 C ATOM 1035 CG LYS A 71 4.114 11.156 -5.475 1.00 0.00 C ATOM 1036 CD LYS A 71 2.735 11.411 -6.064 1.00 0.00 C ATOM 1037 CE LYS A 71 1.813 12.077 -5.055 1.00 0.00 C ATOM 1038 NZ LYS A 71 0.454 12.314 -5.616 1.00 0.00 N ATOM 0 H LYS A 71 6.779 9.446 -7.862 1.00 0.00 H new ATOM 0 HA LYS A 71 6.892 11.131 -5.580 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.138 11.177 -7.350 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.592 9.590 -6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.024 10.508 -4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.543 12.097 -5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.827 12.043 -6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.298 10.468 -6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.735 11.451 -4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.246 13.026 -4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.144 12.769 -4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.525 12.932 -6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.030 11.406 -5.894 1.00 0.00 H new ATOM 1052 N GLY A 72 6.182 7.950 -5.086 1.00 0.00 N ATOM 1053 CA GLY A 72 6.075 6.930 -4.057 1.00 0.00 C ATOM 1054 C GLY A 72 4.717 6.927 -3.386 1.00 0.00 C ATOM 1055 O GLY A 72 4.610 6.685 -2.183 1.00 0.00 O ATOM 0 H GLY A 72 6.125 7.598 -6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.261 5.951 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.848 7.093 -3.306 1.00 0.00 H new ATOM 1059 N ASP A 73 3.677 7.192 -4.169 1.00 0.00 N ATOM 1060 CA ASP A 73 2.313 7.217 -3.653 1.00 0.00 C ATOM 1061 C ASP A 73 1.776 5.804 -3.456 1.00 0.00 C ATOM 1062 O ASP A 73 1.965 4.935 -4.308 1.00 0.00 O ATOM 1063 CB ASP A 73 1.400 7.990 -4.608 1.00 0.00 C ATOM 1064 CG ASP A 73 1.339 7.363 -5.988 1.00 0.00 C ATOM 1065 OD1 ASP A 73 2.400 7.259 -6.640 1.00 0.00 O ATOM 1066 OD2 ASP A 73 0.233 6.976 -6.417 1.00 0.00 O ATOM 0 H ASP A 73 3.753 7.393 -5.166 1.00 0.00 H new ATOM 0 HA ASP A 73 2.328 7.718 -2.685 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.395 8.035 -4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.756 9.017 -4.694 1.00 0.00 H new ATOM 1071 N ILE A 74 1.095 5.582 -2.334 1.00 0.00 N ATOM 1072 CA ILE A 74 0.521 4.275 -2.038 1.00 0.00 C ATOM 1073 C ILE A 74 -0.849 4.140 -2.694 1.00 0.00 C ATOM 1074 O ILE A 74 -1.712 5.002 -2.530 1.00 0.00 O ATOM 1075 CB ILE A 74 0.392 4.050 -0.517 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.777 4.093 0.138 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.305 2.726 -0.225 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.745 3.955 1.644 1.00 0.00 C ATOM 0 H ILE A 74 0.928 6.289 -1.618 1.00 0.00 H new ATOM 0 HA ILE A 74 1.194 3.518 -2.441 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.218 4.849 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.390 3.293 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.262 5.034 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.386 2.587 0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.302 2.735 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.274 1.908 -0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.762 3.995 2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.160 4.769 2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.290 3.001 1.912 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.039 3.062 -3.447 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.302 2.831 -4.137 1.00 0.00 C ATOM 1092 C ILE A 75 -2.851 1.440 -3.837 1.00 0.00 C ATOM 1093 O ILE A 75 -2.107 0.460 -3.806 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.140 2.989 -5.666 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.513 4.349 -6.001 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.484 2.828 -6.368 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.359 5.535 -5.585 1.00 0.00 C ATOM 0 H ILE A 75 -0.337 2.337 -3.595 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.004 3.579 -3.770 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.473 2.205 -6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.541 4.420 -5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.335 4.401 -7.075 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.349 2.943 -7.443 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.889 1.838 -6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.177 3.588 -6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.848 6.459 -5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.322 5.491 -6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.516 5.510 -4.507 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.160 1.365 -3.621 1.00 0.00 N ATOM 1110 CA VAL A 76 -4.820 0.100 -3.329 1.00 0.00 C ATOM 1111 C VAL A 76 -6.163 0.014 -4.049 1.00 0.00 C ATOM 1112 O VAL A 76 -7.054 0.835 -3.830 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.033 -0.081 -1.811 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -5.723 1.138 -1.224 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -5.831 -1.344 -1.520 1.00 0.00 C ATOM 0 H VAL A 76 -4.786 2.170 -3.643 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.171 -0.699 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.056 -0.186 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.866 0.995 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.107 2.021 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.692 1.274 -1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.967 -1.448 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.805 -1.279 -2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.293 -2.211 -1.903 1.00 0.00 H new ATOM 1125 N THR A 77 -6.296 -0.981 -4.922 1.00 0.00 N ATOM 1126 CA THR A 77 -7.523 -1.168 -5.685 1.00 0.00 C ATOM 1127 C THR A 77 -8.516 -2.055 -4.940 1.00 0.00 C ATOM 1128 O THR A 77 -8.170 -3.143 -4.481 1.00 0.00 O ATOM 1129 CB THR A 77 -7.235 -1.788 -7.065 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.290 -0.980 -7.776 1.00 0.00 O ATOM 1131 CG2 THR A 77 -8.512 -1.912 -7.883 1.00 0.00 C ATOM 0 H THR A 77 -5.569 -1.669 -5.117 1.00 0.00 H new ATOM 0 HA THR A 77 -7.960 -0.179 -5.819 1.00 0.00 H new ATOM 0 HB THR A 77 -6.822 -2.785 -6.910 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.110 -1.381 -8.652 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.281 -2.353 -8.853 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.222 -2.549 -7.355 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.949 -0.924 -8.028 1.00 0.00 H new ATOM 1139 N THR A 78 -9.754 -1.583 -4.837 1.00 0.00 N ATOM 1140 CA THR A 78 -10.808 -2.332 -4.164 1.00 0.00 C ATOM 1141 C THR A 78 -11.805 -2.884 -5.177 1.00 0.00 C ATOM 1142 O THR A 78 -12.105 -2.232 -6.179 1.00 0.00 O ATOM 1143 CB THR A 78 -11.556 -1.461 -3.138 1.00 0.00 C ATOM 1144 OG1 THR A 78 -12.098 -0.302 -3.780 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.628 -1.036 -2.010 1.00 0.00 C ATOM 0 H THR A 78 -10.052 -0.683 -5.212 1.00 0.00 H new ATOM 0 HA THR A 78 -10.329 -3.157 -3.636 1.00 0.00 H new ATOM 0 HB THR A 78 -12.368 -2.053 -2.715 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.573 0.245 -3.120 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.179 -0.422 -1.298 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.242 -1.921 -1.504 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.798 -0.461 -2.419 1.00 0.00 H new ATOM 1153 N LYS A 79 -12.311 -4.085 -4.916 1.00 0.00 N ATOM 1154 CA LYS A 79 -13.270 -4.717 -5.814 1.00 0.00 C ATOM 1155 C LYS A 79 -14.478 -3.811 -6.023 1.00 0.00 C ATOM 1156 O LYS A 79 -14.952 -3.641 -7.147 1.00 0.00 O ATOM 1157 CB LYS A 79 -13.715 -6.069 -5.252 1.00 0.00 C ATOM 1158 CG LYS A 79 -14.521 -6.904 -6.234 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.699 -7.274 -7.458 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.503 -8.112 -8.439 1.00 0.00 C ATOM 1161 NZ LYS A 79 -13.702 -8.474 -9.641 1.00 0.00 N ATOM 0 H LYS A 79 -12.074 -4.638 -4.093 1.00 0.00 H new ATOM 0 HA LYS A 79 -12.786 -4.881 -6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -12.834 -6.633 -4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.312 -5.901 -4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.870 -7.811 -5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -15.407 -6.349 -6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.353 -6.366 -7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.812 -7.827 -7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.848 -9.020 -7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.391 -7.560 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.284 -9.045 -10.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.394 -7.608 -10.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.868 -9.023 -9.350 1.00 0.00 H new ATOM 1175 N SER A 80 -14.967 -3.224 -4.933 1.00 0.00 N ATOM 1176 CA SER A 80 -16.114 -2.326 -4.997 1.00 0.00 C ATOM 1177 C SER A 80 -15.719 -0.992 -5.626 1.00 0.00 C ATOM 1178 O SER A 80 -16.299 -0.567 -6.625 1.00 0.00 O ATOM 1179 CB SER A 80 -16.685 -2.091 -3.596 1.00 0.00 C ATOM 1180 OG SER A 80 -15.725 -1.480 -2.751 1.00 0.00 O ATOM 0 H SER A 80 -14.586 -3.355 -3.996 1.00 0.00 H new ATOM 0 HA SER A 80 -16.878 -2.793 -5.618 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.571 -1.459 -3.662 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.002 -3.041 -3.165 1.00 0.00 H new ATOM 0 HG SER A 80 -15.315 -2.160 -2.176 1.00 0.00 H new ATOM 1186 N GLY A 81 -14.723 -0.338 -5.031 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.257 0.939 -5.539 1.00 0.00 C ATOM 1188 C GLY A 81 -13.194 0.787 -6.610 1.00 0.00 C ATOM 1189 O GLY A 81 -13.401 0.094 -7.607 1.00 0.00 O ATOM 0 H GLY A 81 -14.230 -0.673 -4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.102 1.494 -5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.856 1.529 -4.715 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.052 1.436 -6.400 1.00 0.00 N ATOM 1194 CA GLY A 82 -10.964 1.361 -7.358 1.00 0.00 C ATOM 1195 C GLY A 82 -9.631 1.751 -6.750 1.00 0.00 C ATOM 1196 O GLY A 82 -9.332 1.386 -5.612 1.00 0.00 O ATOM 0 H GLY A 82 -11.861 2.014 -5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.898 0.346 -7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.181 2.016 -8.202 1.00 0.00 H new ATOM 1200 N LYS A 83 -8.825 2.492 -7.507 1.00 0.00 N ATOM 1201 CA LYS A 83 -7.515 2.925 -7.030 1.00 0.00 C ATOM 1202 C LYS A 83 -7.642 3.864 -5.834 1.00 0.00 C ATOM 1203 O LYS A 83 -8.338 4.877 -5.897 1.00 0.00 O ATOM 1204 CB LYS A 83 -6.740 3.615 -8.153 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.308 2.669 -9.264 1.00 0.00 C ATOM 1206 CD LYS A 83 -5.645 3.408 -10.420 1.00 0.00 C ATOM 1207 CE LYS A 83 -4.282 3.970 -10.037 1.00 0.00 C ATOM 1208 NZ LYS A 83 -4.380 5.064 -9.030 1.00 0.00 N ATOM 0 H LYS A 83 -9.056 2.804 -8.450 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.969 2.037 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.359 4.404 -8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.857 4.095 -7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.615 1.930 -8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.176 2.124 -9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.532 2.730 -11.266 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.292 4.221 -10.748 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.661 3.168 -9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.783 4.346 -10.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.676 5.799 -9.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.333 5.479 -9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.199 4.679 -8.081 1.00 0.00 H new ATOM 1222 N GLY A 84 -6.957 3.519 -4.748 1.00 0.00 N ATOM 1223 CA GLY A 84 -6.993 4.336 -3.550 1.00 0.00 C ATOM 1224 C GLY A 84 -6.072 5.538 -3.642 1.00 0.00 C ATOM 1225 O GLY A 84 -4.986 5.450 -4.211 1.00 0.00 O ATOM 0 H GLY A 84 -6.375 2.684 -4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.014 4.676 -3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.709 3.729 -2.691 1.00 0.00 H new ATOM 1229 N THR A 85 -6.504 6.662 -3.078 1.00 0.00 N ATOM 1230 CA THR A 85 -5.706 7.882 -3.100 1.00 0.00 C ATOM 1231 C THR A 85 -4.953 8.066 -1.787 1.00 0.00 C ATOM 1232 O THR A 85 -5.495 7.810 -0.710 1.00 0.00 O ATOM 1233 CB THR A 85 -6.584 9.122 -3.354 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.583 9.235 -2.334 1.00 0.00 O ATOM 1235 CG2 THR A 85 -7.252 9.039 -4.719 1.00 0.00 C ATOM 0 H THR A 85 -7.401 6.753 -2.601 1.00 0.00 H new ATOM 0 HA THR A 85 -4.991 7.780 -3.916 1.00 0.00 H new ATOM 0 HB THR A 85 -5.944 10.004 -3.332 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.135 10.027 -2.503 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.867 9.925 -4.877 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.488 8.984 -5.495 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.879 8.149 -4.763 1.00 0.00 H new ATOM 1243 N SER A 86 -3.700 8.505 -1.881 1.00 0.00 N ATOM 1244 CA SER A 86 -2.874 8.714 -0.695 1.00 0.00 C ATOM 1245 C SER A 86 -2.104 10.026 -0.781 1.00 0.00 C ATOM 1246 O SER A 86 -1.477 10.327 -1.796 1.00 0.00 O ATOM 1247 CB SER A 86 -1.890 7.556 -0.521 1.00 0.00 C ATOM 1248 OG SER A 86 -1.083 7.395 -1.675 1.00 0.00 O ATOM 0 H SER A 86 -3.236 8.722 -2.763 1.00 0.00 H new ATOM 0 HA SER A 86 -3.540 8.759 0.167 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.257 7.740 0.347 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.439 6.635 -0.326 1.00 0.00 H new ATOM 0 HG SER A 86 -1.485 6.722 -2.264 1.00 0.00 H new ATOM 1254 N THR A 87 -2.154 10.797 0.299 1.00 0.00 N ATOM 1255 CA THR A 87 -1.458 12.074 0.365 1.00 0.00 C ATOM 1256 C THR A 87 0.016 11.874 0.698 1.00 0.00 C ATOM 1257 O THR A 87 0.872 12.645 0.264 1.00 0.00 O ATOM 1258 CB THR A 87 -2.089 13.004 1.416 1.00 0.00 C ATOM 1259 OG1 THR A 87 -2.002 12.406 2.715 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.545 13.287 1.079 1.00 0.00 C ATOM 0 H THR A 87 -2.672 10.557 1.144 1.00 0.00 H new ATOM 0 HA THR A 87 -1.548 12.538 -0.617 1.00 0.00 H new ATOM 0 HB THR A 87 -1.541 13.946 1.414 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.404 13.005 3.378 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.972 13.946 1.835 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.606 13.767 0.102 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.102 12.350 1.058 1.00 0.00 H new ATOM 1268 N VAL A 88 0.302 10.837 1.482 1.00 0.00 N ATOM 1269 CA VAL A 88 1.671 10.537 1.885 1.00 0.00 C ATOM 1270 C VAL A 88 2.395 9.717 0.822 1.00 0.00 C ATOM 1271 O VAL A 88 1.810 9.337 -0.190 1.00 0.00 O ATOM 1272 CB VAL A 88 1.709 9.772 3.221 1.00 0.00 C ATOM 1273 CG1 VAL A 88 1.132 10.624 4.342 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.961 8.453 3.106 1.00 0.00 C ATOM 0 H VAL A 88 -0.397 10.191 1.850 1.00 0.00 H new ATOM 0 HA VAL A 88 2.178 11.494 2.007 1.00 0.00 H new ATOM 0 HB VAL A 88 2.749 9.552 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.167 10.066 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.717 11.538 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.098 10.878 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.000 7.928 4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.078 8.646 2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.425 7.838 2.335 1.00 0.00 H new ATOM 1284 N SER A 89 3.676 9.452 1.066 1.00 0.00 N ATOM 1285 CA SER A 89 4.491 8.681 0.135 1.00 0.00 C ATOM 1286 C SER A 89 5.676 8.046 0.856 1.00 0.00 C ATOM 1287 O SER A 89 6.308 8.675 1.704 1.00 0.00 O ATOM 1288 CB SER A 89 4.987 9.575 -1.002 1.00 0.00 C ATOM 1289 OG SER A 89 3.902 10.114 -1.737 1.00 0.00 O ATOM 0 H SER A 89 4.171 9.761 1.902 1.00 0.00 H new ATOM 0 HA SER A 89 3.873 7.887 -0.284 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.592 10.385 -0.595 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.631 8.999 -1.667 1.00 0.00 H new ATOM 0 HG SER A 89 3.058 9.783 -1.365 1.00 0.00 H new ATOM 1295 N PHE A 90 5.962 6.793 0.520 1.00 0.00 N ATOM 1296 CA PHE A 90 7.063 6.065 1.143 1.00 0.00 C ATOM 1297 C PHE A 90 8.370 6.281 0.390 1.00 0.00 C ATOM 1298 O PHE A 90 8.420 6.161 -0.835 1.00 0.00 O ATOM 1299 CB PHE A 90 6.742 4.573 1.200 1.00 0.00 C ATOM 1300 CG PHE A 90 7.802 3.754 1.882 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.127 3.982 3.209 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.467 2.751 1.197 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.096 3.227 3.839 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.437 1.991 1.822 1.00 0.00 C ATOM 1305 CZ PHE A 90 9.752 2.230 3.145 1.00 0.00 C ATOM 0 H PHE A 90 5.447 6.260 -0.180 1.00 0.00 H new ATOM 0 HA PHE A 90 7.185 6.450 2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.795 4.433 1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.604 4.201 0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.616 4.760 3.757 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.225 2.561 0.162 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.341 3.416 4.874 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.948 1.211 1.277 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.510 1.638 3.636 1.00 0.00 H new ATOM 1315 N LYS A 91 9.431 6.586 1.131 1.00 0.00 N ATOM 1316 CA LYS A 91 10.743 6.802 0.535 1.00 0.00 C ATOM 1317 C LYS A 91 11.535 5.497 0.512 1.00 0.00 C ATOM 1318 O LYS A 91 11.761 4.881 1.553 1.00 0.00 O ATOM 1319 CB LYS A 91 11.513 7.870 1.315 1.00 0.00 C ATOM 1320 CG LYS A 91 12.881 8.185 0.733 1.00 0.00 C ATOM 1321 CD LYS A 91 13.604 9.246 1.546 1.00 0.00 C ATOM 1322 CE LYS A 91 14.972 9.561 0.961 1.00 0.00 C ATOM 1323 NZ LYS A 91 14.873 10.077 -0.433 1.00 0.00 N ATOM 0 H LYS A 91 9.407 6.689 2.146 1.00 0.00 H new ATOM 0 HA LYS A 91 10.605 7.148 -0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.921 8.785 1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.634 7.537 2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.482 7.276 0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.769 8.527 -0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.003 10.155 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.717 8.903 2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.474 10.299 1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.588 8.662 0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.787 10.484 -0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.626 9.297 -1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.137 10.811 -0.480 1.00 0.00 H new ATOM 1337 N LEU A 92 11.953 5.080 -0.679 1.00 0.00 N ATOM 1338 CA LEU A 92 12.718 3.845 -0.828 1.00 0.00 C ATOM 1339 C LEU A 92 14.202 4.084 -0.581 1.00 0.00 C ATOM 1340 O LEU A 92 14.813 4.960 -1.194 1.00 0.00 O ATOM 1341 CB LEU A 92 12.513 3.244 -2.223 1.00 0.00 C ATOM 1342 CG LEU A 92 11.150 2.582 -2.469 1.00 0.00 C ATOM 1343 CD1 LEU A 92 10.942 1.418 -1.512 1.00 0.00 C ATOM 1344 CD2 LEU A 92 10.022 3.596 -2.335 1.00 0.00 C ATOM 0 H LEU A 92 11.776 5.576 -1.552 1.00 0.00 H new ATOM 0 HA LEU A 92 12.352 3.140 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.652 4.033 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.293 2.503 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 92 11.138 2.196 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.971 0.961 -1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.727 0.677 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.979 1.781 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.066 3.103 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.030 4.019 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.161 4.393 -3.065 1.00 0.00 H new ATOM 1356 N LEU A 93 14.778 3.291 0.316 1.00 0.00 N ATOM 1357 CA LEU A 93 16.193 3.402 0.643 1.00 0.00 C ATOM 1358 C LEU A 93 17.024 2.481 -0.241 1.00 0.00 C ATOM 1359 O LEU A 93 16.641 1.337 -0.491 1.00 0.00 O ATOM 1360 CB LEU A 93 16.432 3.063 2.117 1.00 0.00 C ATOM 1361 CG LEU A 93 15.667 3.931 3.119 1.00 0.00 C ATOM 1362 CD1 LEU A 93 16.027 3.540 4.544 1.00 0.00 C ATOM 1363 CD2 LEU A 93 15.955 5.406 2.879 1.00 0.00 C ATOM 0 H LEU A 93 14.284 2.562 0.831 1.00 0.00 H new ATOM 0 HA LEU A 93 16.501 4.432 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 93 16.160 2.021 2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.498 3.151 2.325 1.00 0.00 H new ATOM 0 HG LEU A 93 14.600 3.764 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.474 4.167 5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.768 2.494 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 93 17.097 3.678 4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.402 6.007 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.023 5.592 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.647 5.677 1.869 1.00 0.00 H new ATOM 1375 N LYS A 94 18.162 2.980 -0.708 1.00 0.00 N ATOM 1376 CA LYS A 94 19.043 2.191 -1.562 1.00 0.00 C ATOM 1377 C LYS A 94 19.492 0.920 -0.841 1.00 0.00 C ATOM 1378 O LYS A 94 19.952 0.976 0.300 1.00 0.00 O ATOM 1379 CB LYS A 94 20.264 3.017 -1.975 1.00 0.00 C ATOM 1380 CG LYS A 94 19.914 4.272 -2.761 1.00 0.00 C ATOM 1381 CD LYS A 94 19.241 3.948 -4.089 1.00 0.00 C ATOM 1382 CE LYS A 94 20.219 3.359 -5.099 1.00 0.00 C ATOM 1383 NZ LYS A 94 20.756 2.038 -4.667 1.00 0.00 N ATOM 0 H LYS A 94 18.496 3.923 -0.511 1.00 0.00 H new ATOM 0 HA LYS A 94 18.489 1.908 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.819 3.301 -1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.926 2.395 -2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.253 4.900 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.821 4.848 -2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 94 18.427 3.243 -3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 94 18.797 4.855 -4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 94 19.720 3.248 -6.062 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.046 4.053 -5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.830 1.407 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.697 2.167 -4.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 20.116 1.616 -3.964 1.00 0.00 H new ATOM 1397 N PRO A 95 19.358 -0.248 -1.496 1.00 0.00 N ATOM 1398 CA PRO A 95 19.748 -1.533 -0.905 1.00 0.00 C ATOM 1399 C PRO A 95 21.189 -1.537 -0.415 1.00 0.00 C ATOM 1400 O PRO A 95 22.106 -1.176 -1.152 1.00 0.00 O ATOM 1401 CB PRO A 95 19.585 -2.522 -2.061 1.00 0.00 C ATOM 1402 CG PRO A 95 18.574 -1.894 -2.954 1.00 0.00 C ATOM 1403 CD PRO A 95 18.809 -0.413 -2.856 1.00 0.00 C ATOM 0 HA PRO A 95 19.146 -1.771 -0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 95 20.529 -2.682 -2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.249 -3.496 -1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 95 18.689 -2.242 -3.981 1.00 0.00 H new ATOM 0 HG3 PRO A 95 17.562 -2.151 -2.642 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.507 -0.065 -3.617 1.00 0.00 H new ATOM 0 HD3 PRO A 95 17.886 0.151 -2.989 1.00 0.00 H new ATOM 1411 N GLU A 96 21.383 -1.956 0.832 1.00 0.00 N ATOM 1412 CA GLU A 96 22.716 -2.016 1.413 1.00 0.00 C ATOM 1413 C GLU A 96 23.419 -3.310 1.016 1.00 0.00 C ATOM 1414 O GLU A 96 22.939 -4.405 1.316 1.00 0.00 O ATOM 1415 CB GLU A 96 22.638 -1.905 2.937 1.00 0.00 C ATOM 1416 CG GLU A 96 22.042 -0.593 3.421 1.00 0.00 C ATOM 1417 CD GLU A 96 21.994 -0.496 4.933 1.00 0.00 C ATOM 1418 OE1 GLU A 96 23.069 -0.569 5.566 1.00 0.00 O ATOM 1419 OE2 GLU A 96 20.884 -0.348 5.484 1.00 0.00 O ATOM 0 H GLU A 96 20.635 -2.258 1.456 1.00 0.00 H new ATOM 0 HA GLU A 96 23.294 -1.176 1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 96 22.040 -2.731 3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 96 23.640 -2.015 3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 96 22.629 0.236 3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 96 21.033 -0.488 3.022 1.00 0.00 H new ATOM 1426 N LYS A 97 24.554 -3.175 0.340 1.00 0.00 N ATOM 1427 CA LYS A 97 25.328 -4.330 -0.104 1.00 0.00 C ATOM 1428 C LYS A 97 26.672 -3.896 -0.681 1.00 0.00 C ATOM 1429 O LYS A 97 26.712 -2.850 -1.362 1.00 0.00 O ATOM 1430 CB LYS A 97 24.546 -5.127 -1.151 1.00 0.00 C ATOM 1431 CG LYS A 97 24.108 -4.296 -2.346 1.00 0.00 C ATOM 1432 CD LYS A 97 23.395 -5.145 -3.385 1.00 0.00 C ATOM 1433 CE LYS A 97 22.902 -4.301 -4.550 1.00 0.00 C ATOM 1434 NZ LYS A 97 22.272 -5.132 -5.613 1.00 0.00 N ATOM 1435 OXT LYS A 97 27.672 -4.607 -0.447 1.00 0.00 O ATOM 0 H LYS A 97 24.960 -2.275 0.086 1.00 0.00 H new ATOM 0 HA LYS A 97 25.511 -4.965 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 97 25.163 -5.954 -1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.665 -5.563 -0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 97 23.446 -3.497 -2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.978 -3.821 -2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 97 24.072 -5.916 -3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 97 22.551 -5.656 -2.922 1.00 0.00 H new ATOM 0 HE2 LYS A 97 22.181 -3.568 -4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 97 23.738 -3.743 -4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 21.950 -4.518 -6.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 22.967 -5.814 -5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 21.459 -5.645 -5.216 1.00 0.00 H new TER 1449 LYS A 97