USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 582 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 57 THR OG1 : rot -140:sc= 0.0303 USER MOD Set 1.2: A 61 GLN : amide:sc= -0.202 K(o=-0.17,f=0.7) USER MOD Set 2.1: A 40 ASN : amide:sc= -0.0568 K(o=-0.059,f=-2.1!) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc=-0.00269 USER MOD Set 3.1: A 5 GLN : amide:sc= -2.2 K(o=-2.2,f=2.1) USER MOD Set 3.2: A 35 THR OG1 : rot 53:sc= 0.0332 USER MOD Set 4.1: A 16 THR OG1 : rot 98:sc= 0.675 USER MOD Set 4.2: A 20 CYS SG : rot -120:sc= 0.483 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.299 (180deg=-0.00813) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0612 USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.163) USER MOD Single : A 10 MET CE :methyl -171:sc= 0 (180deg=-0.126) USER MOD Single : A 11 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.32) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -167:sc= -0.0249 (180deg=-0.249) USER MOD Single : A 17 CYS SG : rot 180:sc= 0.0647 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 2.22 (180deg=1.99) USER MOD Single : A 31 MET CE :methyl 165:sc= -0.61 (180deg=-1.34) USER MOD Single : A 38 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 45 THR OG1 : rot 73:sc= 1.27 USER MOD Single : A 47 ASN : amide:sc= 1.16 K(o=1.2,f=-1.3) USER MOD Single : A 50 TYR OH : rot 180:sc= 0.212 USER MOD Single : A 55 THR OG1 : rot -159:sc= -0.745 USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 1.15 (180deg=1.04) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= 1.18 (180deg=1.04) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -0.194 K(o=-0.19,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.116 0.240 -27.008 1.00 5.55 N ATOM 2 CA MET A 1 3.890 1.470 -26.229 1.00 4.82 C ATOM 3 C MET A 1 5.091 1.627 -25.305 1.00 3.27 C ATOM 4 O MET A 1 5.804 0.639 -25.132 1.00 3.09 O ATOM 5 CB MET A 1 2.588 1.378 -25.421 1.00 6.10 C ATOM 6 CG MET A 1 1.339 1.497 -26.304 1.00 7.85 C ATOM 7 SD MET A 1 -0.219 1.401 -25.388 1.00 10.00 S ATOM 8 CE MET A 1 -1.393 1.697 -26.729 1.00 11.29 C ATOM 0 H1 MET A 1 4.228 0.482 -28.013 1.00 5.55 H new ATOM 0 H2 MET A 1 4.977 -0.233 -26.667 1.00 5.55 H new ATOM 0 H3 MET A 1 3.302 -0.397 -26.894 1.00 5.55 H new ATOM 0 HA MET A 1 3.788 2.333 -26.887 1.00 4.82 H new ATOM 0 HB2 MET A 1 2.562 0.428 -24.887 1.00 6.10 H new ATOM 0 HB3 MET A 1 2.574 2.167 -24.669 1.00 6.10 H new ATOM 0 HG2 MET A 1 1.375 2.444 -26.842 1.00 7.85 H new ATOM 0 HG3 MET A 1 1.358 0.705 -27.052 1.00 7.85 H new ATOM 0 HE1 MET A 1 -2.409 1.671 -26.335 1.00 11.29 H new ATOM 0 HE2 MET A 1 -1.200 2.674 -27.172 1.00 11.29 H new ATOM 0 HE3 MET A 1 -1.279 0.925 -27.490 1.00 11.29 H new ATOM 20 N LEU A 2 5.328 2.818 -24.750 1.00 3.20 N ATOM 21 CA LEU A 2 6.349 2.987 -23.723 1.00 2.78 C ATOM 22 C LEU A 2 5.800 2.488 -22.381 1.00 2.34 C ATOM 23 O LEU A 2 4.623 2.142 -22.292 1.00 3.23 O ATOM 24 CB LEU A 2 6.840 4.445 -23.687 1.00 4.39 C ATOM 25 CG LEU A 2 5.892 5.445 -22.993 1.00 5.61 C ATOM 26 CD1 LEU A 2 6.619 6.121 -21.823 1.00 7.21 C ATOM 27 CD2 LEU A 2 5.411 6.528 -23.966 1.00 6.78 C ATOM 0 H LEU A 2 4.828 3.673 -24.995 1.00 3.20 H new ATOM 0 HA LEU A 2 7.228 2.385 -23.954 1.00 2.78 H new ATOM 0 HB2 LEU A 2 7.805 4.473 -23.180 1.00 4.39 H new ATOM 0 HB3 LEU A 2 7.008 4.780 -24.711 1.00 4.39 H new ATOM 0 HG LEU A 2 5.027 4.888 -22.633 1.00 5.61 H new ATOM 0 HD11 LEU A 2 5.946 6.827 -21.335 1.00 7.21 H new ATOM 0 HD12 LEU A 2 6.934 5.364 -21.104 1.00 7.21 H new ATOM 0 HD13 LEU A 2 7.494 6.653 -22.197 1.00 7.21 H new ATOM 0 HD21 LEU A 2 4.745 7.216 -23.445 1.00 6.78 H new ATOM 0 HD22 LEU A 2 6.270 7.077 -24.353 1.00 6.78 H new ATOM 0 HD23 LEU A 2 4.876 6.062 -24.793 1.00 6.78 H new ATOM 39 N SER A 3 6.638 2.450 -21.344 1.00 1.82 N ATOM 40 CA SER A 3 6.209 2.118 -19.995 1.00 1.39 C ATOM 41 C SER A 3 5.076 3.046 -19.544 1.00 1.11 C ATOM 42 O SER A 3 5.061 4.221 -19.907 1.00 1.38 O ATOM 43 CB SER A 3 7.417 2.254 -19.061 1.00 1.52 C ATOM 44 OG SER A 3 8.573 1.754 -19.715 1.00 2.59 O ATOM 0 H SER A 3 7.635 2.650 -21.422 1.00 1.82 H new ATOM 0 HA SER A 3 5.829 1.097 -19.968 1.00 1.39 H new ATOM 0 HB2 SER A 3 7.563 3.299 -18.787 1.00 1.52 H new ATOM 0 HB3 SER A 3 7.241 1.703 -18.137 1.00 1.52 H new ATOM 0 HG SER A 3 9.348 1.841 -19.121 1.00 2.59 H new ATOM 50 N GLU A 4 4.157 2.539 -18.724 1.00 0.78 N ATOM 51 CA GLU A 4 3.148 3.335 -18.057 1.00 0.54 C ATOM 52 C GLU A 4 3.018 2.779 -16.646 1.00 0.59 C ATOM 53 O GLU A 4 3.427 1.648 -16.383 1.00 1.03 O ATOM 54 CB GLU A 4 1.814 3.309 -18.818 1.00 0.58 C ATOM 55 CG GLU A 4 1.329 1.895 -19.169 1.00 1.55 C ATOM 56 CD GLU A 4 -0.158 1.888 -19.509 1.00 2.13 C ATOM 57 OE1 GLU A 4 -0.578 2.805 -20.248 1.00 2.46 O ATOM 58 OE2 GLU A 4 -0.853 0.975 -19.010 1.00 3.25 O ATOM 0 H GLU A 4 4.098 1.544 -18.506 1.00 0.78 H new ATOM 0 HA GLU A 4 3.438 4.385 -18.024 1.00 0.54 H new ATOM 0 HB2 GLU A 4 1.053 3.805 -18.216 1.00 0.58 H new ATOM 0 HB3 GLU A 4 1.919 3.886 -19.737 1.00 0.58 H new ATOM 0 HG2 GLU A 4 1.900 1.512 -20.015 1.00 1.55 H new ATOM 0 HG3 GLU A 4 1.516 1.225 -18.329 1.00 1.55 H new ATOM 65 N GLN A 5 2.461 3.593 -15.755 1.00 0.32 N ATOM 66 CA GLN A 5 2.222 3.260 -14.364 1.00 0.31 C ATOM 67 C GLN A 5 0.724 3.182 -14.112 1.00 0.31 C ATOM 68 O GLN A 5 -0.062 3.587 -14.969 1.00 0.36 O ATOM 69 CB GLN A 5 2.903 4.293 -13.468 1.00 0.29 C ATOM 70 CG GLN A 5 2.352 5.719 -13.635 1.00 0.28 C ATOM 71 CD GLN A 5 3.163 6.741 -12.846 1.00 0.36 C ATOM 72 OE1 GLN A 5 3.190 7.918 -13.190 1.00 0.60 O ATOM 73 NE2 GLN A 5 3.827 6.307 -11.782 1.00 0.44 N ATOM 0 H GLN A 5 2.154 4.536 -15.995 1.00 0.32 H new ATOM 0 HA GLN A 5 2.649 2.285 -14.128 1.00 0.31 H new ATOM 0 HB2 GLN A 5 2.789 3.989 -12.427 1.00 0.29 H new ATOM 0 HB3 GLN A 5 3.972 4.299 -13.683 1.00 0.29 H new ATOM 0 HG2 GLN A 5 2.358 5.989 -14.691 1.00 0.28 H new ATOM 0 HG3 GLN A 5 1.314 5.747 -13.305 1.00 0.28 H new ATOM 0 HE21 GLN A 5 3.785 5.322 -11.521 1.00 0.44 H new ATOM 0 HE22 GLN A 5 4.380 6.959 -11.225 1.00 0.44 H new ATOM 82 N LYS A 6 0.316 2.683 -12.942 1.00 0.30 N ATOM 83 CA LYS A 6 -1.089 2.579 -12.620 1.00 0.37 C ATOM 84 C LYS A 6 -1.329 2.809 -11.132 1.00 0.29 C ATOM 85 O LYS A 6 -0.457 2.582 -10.294 1.00 0.25 O ATOM 86 CB LYS A 6 -1.627 1.210 -13.071 1.00 0.49 C ATOM 87 CG LYS A 6 -3.087 1.346 -13.507 1.00 0.93 C ATOM 88 CD LYS A 6 -3.774 -0.003 -13.740 1.00 1.60 C ATOM 89 CE LYS A 6 -5.298 0.189 -13.789 1.00 2.22 C ATOM 90 NZ LYS A 6 -5.705 1.202 -14.786 1.00 2.31 N ATOM 0 H LYS A 6 0.945 2.349 -12.212 1.00 0.30 H new ATOM 0 HA LYS A 6 -1.632 3.357 -13.157 1.00 0.37 H new ATOM 0 HB2 LYS A 6 -1.026 0.826 -13.895 1.00 0.49 H new ATOM 0 HB3 LYS A 6 -1.547 0.491 -12.256 1.00 0.49 H new ATOM 0 HG2 LYS A 6 -3.637 1.900 -12.746 1.00 0.93 H new ATOM 0 HG3 LYS A 6 -3.133 1.933 -14.424 1.00 0.93 H new ATOM 0 HD2 LYS A 6 -3.424 -0.443 -14.674 1.00 1.60 H new ATOM 0 HD3 LYS A 6 -3.511 -0.698 -12.942 1.00 1.60 H new ATOM 0 HE2 LYS A 6 -5.774 -0.762 -14.026 1.00 2.22 H new ATOM 0 HE3 LYS A 6 -5.656 0.488 -12.804 1.00 2.22 H new ATOM 0 HZ1 LYS A 6 -6.739 1.189 -14.892 1.00 2.31 H new ATOM 0 HZ2 LYS A 6 -5.402 2.144 -14.467 1.00 2.31 H new ATOM 0 HZ3 LYS A 6 -5.260 0.987 -15.701 1.00 2.31 H new ATOM 104 N GLU A 7 -2.568 3.204 -10.849 1.00 0.35 N ATOM 105 CA GLU A 7 -3.184 3.226 -9.544 1.00 0.38 C ATOM 106 C GLU A 7 -3.661 1.809 -9.221 1.00 0.39 C ATOM 107 O GLU A 7 -4.085 1.068 -10.111 1.00 0.75 O ATOM 108 CB GLU A 7 -4.379 4.199 -9.574 1.00 0.58 C ATOM 109 CG GLU A 7 -5.351 3.953 -10.747 1.00 0.80 C ATOM 110 CD GLU A 7 -6.634 4.764 -10.632 1.00 1.23 C ATOM 111 OE1 GLU A 7 -7.142 4.878 -9.497 1.00 2.05 O ATOM 112 OE2 GLU A 7 -7.098 5.220 -11.700 1.00 2.30 O ATOM 0 H GLU A 7 -3.200 3.536 -11.577 1.00 0.35 H new ATOM 0 HA GLU A 7 -2.478 3.558 -8.782 1.00 0.38 H new ATOM 0 HB2 GLU A 7 -4.928 4.116 -8.636 1.00 0.58 H new ATOM 0 HB3 GLU A 7 -4.003 5.220 -9.634 1.00 0.58 H new ATOM 0 HG2 GLU A 7 -4.852 4.202 -11.684 1.00 0.80 H new ATOM 0 HG3 GLU A 7 -5.600 2.893 -10.790 1.00 0.80 H new ATOM 119 N ILE A 8 -3.592 1.444 -7.944 1.00 0.29 N ATOM 120 CA ILE A 8 -4.255 0.283 -7.379 1.00 0.27 C ATOM 121 C ILE A 8 -5.040 0.789 -6.169 1.00 0.33 C ATOM 122 O ILE A 8 -4.686 1.834 -5.618 1.00 0.50 O ATOM 123 CB ILE A 8 -3.199 -0.781 -7.018 1.00 0.26 C ATOM 124 CG1 ILE A 8 -3.689 -2.203 -7.324 1.00 0.38 C ATOM 125 CG2 ILE A 8 -2.729 -0.667 -5.563 1.00 0.43 C ATOM 126 CD1 ILE A 8 -3.541 -2.502 -8.820 1.00 1.12 C ATOM 0 H ILE A 8 -3.054 1.969 -7.255 1.00 0.29 H new ATOM 0 HA ILE A 8 -4.942 -0.199 -8.075 1.00 0.27 H new ATOM 0 HB ILE A 8 -2.337 -0.581 -7.655 1.00 0.26 H new ATOM 0 HG12 ILE A 8 -3.117 -2.926 -6.743 1.00 0.38 H new ATOM 0 HG13 ILE A 8 -4.732 -2.308 -7.026 1.00 0.38 H new ATOM 0 HG21 ILE A 8 -1.986 -1.438 -5.359 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -2.286 0.316 -5.400 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -3.580 -0.797 -4.894 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -3.892 -3.513 -9.025 1.00 1.12 H new ATOM 0 HD12 ILE A 8 -4.133 -1.789 -9.394 1.00 1.12 H new ATOM 0 HD13 ILE A 8 -2.493 -2.416 -9.106 1.00 1.12 H new ATOM 138 N ALA A 9 -6.081 0.066 -5.749 1.00 0.28 N ATOM 139 CA ALA A 9 -6.883 0.400 -4.579 1.00 0.34 C ATOM 140 C ALA A 9 -7.366 -0.890 -3.925 1.00 0.35 C ATOM 141 O ALA A 9 -8.003 -1.696 -4.599 1.00 0.47 O ATOM 142 CB ALA A 9 -8.058 1.292 -4.987 1.00 0.41 C ATOM 0 H ALA A 9 -6.392 -0.782 -6.223 1.00 0.28 H new ATOM 0 HA ALA A 9 -6.282 0.954 -3.858 1.00 0.34 H new ATOM 0 HB1 ALA A 9 -8.652 1.537 -4.106 1.00 0.41 H new ATOM 0 HB2 ALA A 9 -7.679 2.210 -5.436 1.00 0.41 H new ATOM 0 HB3 ALA A 9 -8.681 0.765 -5.710 1.00 0.41 H new ATOM 148 N MET A 10 -7.029 -1.119 -2.650 1.00 0.29 N ATOM 149 CA MET A 10 -7.341 -2.381 -1.986 1.00 0.32 C ATOM 150 C MET A 10 -7.393 -2.213 -0.456 1.00 0.27 C ATOM 151 O MET A 10 -6.988 -1.171 0.060 1.00 0.31 O ATOM 152 CB MET A 10 -6.340 -3.443 -2.434 1.00 0.45 C ATOM 153 CG MET A 10 -4.909 -3.066 -2.041 1.00 0.50 C ATOM 154 SD MET A 10 -3.669 -3.118 -3.357 1.00 1.27 S ATOM 155 CE MET A 10 -2.211 -2.540 -2.460 1.00 0.94 C ATOM 0 H MET A 10 -6.540 -0.444 -2.061 1.00 0.29 H new ATOM 0 HA MET A 10 -8.337 -2.712 -2.278 1.00 0.32 H new ATOM 0 HB2 MET A 10 -6.601 -4.402 -1.987 1.00 0.45 H new ATOM 0 HB3 MET A 10 -6.401 -3.569 -3.515 1.00 0.45 H new ATOM 0 HG2 MET A 10 -4.924 -2.058 -1.626 1.00 0.50 H new ATOM 0 HG3 MET A 10 -4.587 -3.735 -1.243 1.00 0.50 H new ATOM 0 HE1 MET A 10 -1.398 -2.362 -3.164 1.00 0.94 H new ATOM 0 HE2 MET A 10 -2.449 -1.613 -1.938 1.00 0.94 H new ATOM 0 HE3 MET A 10 -1.906 -3.296 -1.736 1.00 0.94 H new ATOM 165 N GLN A 11 -7.908 -3.217 0.265 1.00 0.28 N ATOM 166 CA GLN A 11 -8.168 -3.137 1.702 1.00 0.26 C ATOM 167 C GLN A 11 -6.975 -3.651 2.508 1.00 0.26 C ATOM 168 O GLN A 11 -6.174 -4.441 2.003 1.00 0.38 O ATOM 169 CB GLN A 11 -9.462 -3.859 2.122 1.00 0.31 C ATOM 170 CG GLN A 11 -10.636 -3.763 1.139 1.00 0.36 C ATOM 171 CD GLN A 11 -10.577 -4.835 0.050 1.00 0.73 C ATOM 172 OE1 GLN A 11 -10.969 -5.975 0.267 1.00 1.81 O ATOM 173 NE2 GLN A 11 -10.081 -4.475 -1.126 1.00 0.75 N ATOM 0 H GLN A 11 -8.158 -4.118 -0.142 1.00 0.28 H new ATOM 0 HA GLN A 11 -8.313 -2.080 1.926 1.00 0.26 H new ATOM 0 HB2 GLN A 11 -9.232 -4.913 2.280 1.00 0.31 H new ATOM 0 HB3 GLN A 11 -9.784 -3.456 3.082 1.00 0.31 H new ATOM 0 HG2 GLN A 11 -11.573 -3.858 1.687 1.00 0.36 H new ATOM 0 HG3 GLN A 11 -10.637 -2.777 0.674 1.00 0.36 H new ATOM 0 HE21 GLN A 11 -9.763 -3.517 -1.274 1.00 0.75 H new ATOM 0 HE22 GLN A 11 -10.017 -5.156 -1.883 1.00 0.75 H new ATOM 182 N VAL A 12 -6.866 -3.216 3.767 1.00 0.28 N ATOM 183 CA VAL A 12 -5.774 -3.598 4.660 1.00 0.28 C ATOM 184 C VAL A 12 -6.319 -4.288 5.906 1.00 0.34 C ATOM 185 O VAL A 12 -7.243 -3.782 6.539 1.00 0.67 O ATOM 186 CB VAL A 12 -4.921 -2.378 5.045 1.00 0.37 C ATOM 187 CG1 VAL A 12 -3.490 -2.819 5.363 1.00 0.41 C ATOM 188 CG2 VAL A 12 -4.854 -1.354 3.912 1.00 0.45 C ATOM 0 H VAL A 12 -7.541 -2.583 4.196 1.00 0.28 H new ATOM 0 HA VAL A 12 -5.133 -4.301 4.128 1.00 0.28 H new ATOM 0 HB VAL A 12 -5.392 -1.921 5.915 1.00 0.37 H new ATOM 0 HG11 VAL A 12 -2.893 -1.949 5.635 1.00 0.41 H new ATOM 0 HG12 VAL A 12 -3.503 -3.524 6.194 1.00 0.41 H new ATOM 0 HG13 VAL A 12 -3.054 -3.299 4.487 1.00 0.41 H new ATOM 0 HG21 VAL A 12 -4.242 -0.507 4.223 1.00 0.45 H new ATOM 0 HG22 VAL A 12 -4.412 -1.816 3.029 1.00 0.45 H new ATOM 0 HG23 VAL A 12 -5.860 -1.008 3.675 1.00 0.45 H new ATOM 198 N SER A 13 -5.726 -5.424 6.277 1.00 0.53 N ATOM 199 CA SER A 13 -6.039 -6.118 7.512 1.00 0.66 C ATOM 200 C SER A 13 -5.222 -5.502 8.647 1.00 0.59 C ATOM 201 O SER A 13 -3.995 -5.437 8.554 1.00 0.66 O ATOM 202 CB SER A 13 -5.727 -7.608 7.349 1.00 0.85 C ATOM 203 OG SER A 13 -6.400 -8.354 8.344 1.00 1.08 O ATOM 0 H SER A 13 -5.009 -5.887 5.718 1.00 0.53 H new ATOM 0 HA SER A 13 -7.098 -6.016 7.751 1.00 0.66 H new ATOM 0 HB2 SER A 13 -6.034 -7.946 6.359 1.00 0.85 H new ATOM 0 HB3 SER A 13 -4.652 -7.773 7.423 1.00 0.85 H new ATOM 0 HG SER A 13 -6.197 -9.306 8.232 1.00 1.08 H new ATOM 209 N GLY A 14 -5.899 -5.047 9.706 1.00 0.69 N ATOM 210 CA GLY A 14 -5.295 -4.526 10.922 1.00 0.83 C ATOM 211 C GLY A 14 -5.883 -3.159 11.246 1.00 1.37 C ATOM 212 O GLY A 14 -6.724 -3.061 12.133 1.00 2.81 O ATOM 0 H GLY A 14 -6.919 -5.034 9.734 1.00 0.69 H new ATOM 0 HA2 GLY A 14 -5.471 -5.213 11.750 1.00 0.83 H new ATOM 0 HA3 GLY A 14 -4.215 -4.447 10.798 1.00 0.83 H new ATOM 216 N MET A 15 -5.450 -2.124 10.512 1.00 0.67 N ATOM 217 CA MET A 15 -5.975 -0.771 10.558 1.00 1.02 C ATOM 218 C MET A 15 -6.333 -0.324 11.978 1.00 0.89 C ATOM 219 O MET A 15 -7.489 -0.102 12.326 1.00 1.09 O ATOM 220 CB MET A 15 -7.107 -0.657 9.531 1.00 1.63 C ATOM 221 CG MET A 15 -7.362 0.774 9.044 1.00 1.23 C ATOM 222 SD MET A 15 -8.296 1.915 10.105 1.00 3.90 S ATOM 223 CE MET A 15 -9.875 1.054 10.266 1.00 4.22 C ATOM 0 H MET A 15 -4.688 -2.223 9.841 1.00 0.67 H new ATOM 0 HA MET A 15 -5.203 -0.056 10.273 1.00 1.02 H new ATOM 0 HB2 MET A 15 -6.870 -1.286 8.673 1.00 1.63 H new ATOM 0 HB3 MET A 15 -8.024 -1.050 9.970 1.00 1.63 H new ATOM 0 HG2 MET A 15 -6.393 1.231 8.844 1.00 1.23 H new ATOM 0 HG3 MET A 15 -7.886 0.708 8.091 1.00 1.23 H new ATOM 0 HE1 MET A 15 -10.617 1.731 10.689 1.00 4.22 H new ATOM 0 HE2 MET A 15 -10.208 0.719 9.284 1.00 4.22 H new ATOM 0 HE3 MET A 15 -9.754 0.192 10.922 1.00 4.22 H new ATOM 233 N THR A 16 -5.300 -0.118 12.793 1.00 1.58 N ATOM 234 CA THR A 16 -5.409 0.404 14.143 1.00 2.04 C ATOM 235 C THR A 16 -5.526 1.939 14.143 1.00 1.45 C ATOM 236 O THR A 16 -5.304 2.577 15.169 1.00 1.93 O ATOM 237 CB THR A 16 -4.170 -0.101 14.896 1.00 3.15 C ATOM 238 OG1 THR A 16 -3.041 0.033 14.056 1.00 3.92 O ATOM 239 CG2 THR A 16 -4.293 -1.592 15.223 1.00 3.70 C ATOM 0 H THR A 16 -4.338 -0.317 12.519 1.00 1.58 H new ATOM 0 HA THR A 16 -6.316 0.057 14.638 1.00 2.04 H new ATOM 0 HB THR A 16 -4.077 0.479 15.814 1.00 3.15 H new ATOM 0 HG1 THR A 16 -2.566 0.861 14.276 1.00 3.92 H new ATOM 0 HG21 THR A 16 -3.402 -1.922 15.756 1.00 3.70 H new ATOM 0 HG22 THR A 16 -5.171 -1.756 15.848 1.00 3.70 H new ATOM 0 HG23 THR A 16 -4.394 -2.160 14.298 1.00 3.70 H new ATOM 247 N CYS A 17 -5.886 2.537 12.999 1.00 0.97 N ATOM 248 CA CYS A 17 -6.142 3.963 12.835 1.00 1.48 C ATOM 249 C CYS A 17 -4.947 4.814 13.303 1.00 1.44 C ATOM 250 O CYS A 17 -3.804 4.453 13.010 1.00 2.13 O ATOM 251 CB CYS A 17 -7.497 4.305 13.473 1.00 2.23 C ATOM 252 SG CYS A 17 -8.168 5.803 12.712 1.00 3.56 S ATOM 0 H CYS A 17 -6.010 2.014 12.132 1.00 0.97 H new ATOM 0 HA CYS A 17 -6.230 4.220 11.779 1.00 1.48 H new ATOM 0 HB2 CYS A 17 -8.192 3.476 13.341 1.00 2.23 H new ATOM 0 HB3 CYS A 17 -7.378 4.453 14.546 1.00 2.23 H new ATOM 0 HG CYS A 17 -9.315 6.088 13.253 1.00 3.56 H new ATOM 258 N ALA A 18 -5.185 5.937 13.995 1.00 1.25 N ATOM 259 CA ALA A 18 -4.189 6.897 14.460 1.00 1.44 C ATOM 260 C ALA A 18 -3.326 7.436 13.313 1.00 1.53 C ATOM 261 O ALA A 18 -3.602 8.509 12.782 1.00 3.09 O ATOM 262 CB ALA A 18 -3.377 6.313 15.624 1.00 1.77 C ATOM 0 H ALA A 18 -6.132 6.210 14.257 1.00 1.25 H new ATOM 0 HA ALA A 18 -4.710 7.771 14.852 1.00 1.44 H new ATOM 0 HB1 ALA A 18 -2.640 7.044 15.956 1.00 1.77 H new ATOM 0 HB2 ALA A 18 -4.046 6.072 16.450 1.00 1.77 H new ATOM 0 HB3 ALA A 18 -2.867 5.408 15.294 1.00 1.77 H new ATOM 268 N ALA A 19 -2.286 6.694 12.929 1.00 1.24 N ATOM 269 CA ALA A 19 -1.402 7.008 11.810 1.00 0.97 C ATOM 270 C ALA A 19 -0.818 5.729 11.196 1.00 0.68 C ATOM 271 O ALA A 19 0.191 5.772 10.495 1.00 0.59 O ATOM 272 CB ALA A 19 -0.283 7.927 12.314 1.00 1.21 C ATOM 0 H ALA A 19 -2.029 5.830 13.406 1.00 1.24 H new ATOM 0 HA ALA A 19 -1.970 7.513 11.029 1.00 0.97 H new ATOM 0 HB1 ALA A 19 0.387 8.171 11.489 1.00 1.21 H new ATOM 0 HB2 ALA A 19 -0.717 8.844 12.712 1.00 1.21 H new ATOM 0 HB3 ALA A 19 0.278 7.420 13.099 1.00 1.21 H new ATOM 278 N CYS A 20 -1.413 4.571 11.491 1.00 0.74 N ATOM 279 CA CYS A 20 -0.787 3.285 11.209 1.00 0.75 C ATOM 280 C CYS A 20 -0.808 3.014 9.724 1.00 0.59 C ATOM 281 O CYS A 20 0.239 2.900 9.104 1.00 0.56 O ATOM 282 CB CYS A 20 -1.432 2.153 12.008 1.00 0.98 C ATOM 283 SG CYS A 20 -0.593 2.094 13.612 1.00 1.47 S ATOM 0 H CYS A 20 -2.332 4.502 11.927 1.00 0.74 H new ATOM 0 HA CYS A 20 0.253 3.331 11.531 1.00 0.75 H new ATOM 0 HB2 CYS A 20 -2.499 2.332 12.137 1.00 0.98 H new ATOM 0 HB3 CYS A 20 -1.329 1.203 11.483 1.00 0.98 H new ATOM 0 HG CYS A 20 -0.034 0.930 13.767 1.00 1.47 H new ATOM 289 N ALA A 21 -2.002 2.947 9.137 1.00 0.58 N ATOM 290 CA ALA A 21 -2.143 2.704 7.709 1.00 0.55 C ATOM 291 C ALA A 21 -1.337 3.711 6.891 1.00 0.44 C ATOM 292 O ALA A 21 -0.680 3.367 5.911 1.00 0.52 O ATOM 293 CB ALA A 21 -3.615 2.735 7.343 1.00 0.68 C ATOM 0 H ALA A 21 -2.886 3.058 9.633 1.00 0.58 H new ATOM 0 HA ALA A 21 -1.741 1.719 7.471 1.00 0.55 H new ATOM 0 HB1 ALA A 21 -3.728 2.554 6.274 1.00 0.68 H new ATOM 0 HB2 ALA A 21 -4.145 1.962 7.900 1.00 0.68 H new ATOM 0 HB3 ALA A 21 -4.031 3.711 7.591 1.00 0.68 H new ATOM 299 N ALA A 22 -1.359 4.967 7.332 1.00 0.35 N ATOM 300 CA ALA A 22 -0.534 6.009 6.760 1.00 0.34 C ATOM 301 C ALA A 22 0.946 5.617 6.800 1.00 0.40 C ATOM 302 O ALA A 22 1.612 5.657 5.769 1.00 0.40 O ATOM 303 CB ALA A 22 -0.804 7.307 7.521 1.00 0.37 C ATOM 0 H ALA A 22 -1.953 5.283 8.098 1.00 0.35 H new ATOM 0 HA ALA A 22 -0.785 6.154 5.709 1.00 0.34 H new ATOM 0 HB1 ALA A 22 -0.191 8.107 7.105 1.00 0.37 H new ATOM 0 HB2 ALA A 22 -1.857 7.571 7.428 1.00 0.37 H new ATOM 0 HB3 ALA A 22 -0.556 7.170 8.574 1.00 0.37 H new ATOM 309 N ARG A 23 1.472 5.238 7.973 1.00 0.50 N ATOM 310 CA ARG A 23 2.847 4.766 8.105 1.00 0.59 C ATOM 311 C ARG A 23 3.124 3.567 7.194 1.00 0.58 C ATOM 312 O ARG A 23 4.123 3.583 6.477 1.00 0.65 O ATOM 313 CB ARG A 23 3.174 4.433 9.569 1.00 0.71 C ATOM 314 CG ARG A 23 3.276 5.681 10.461 1.00 0.81 C ATOM 315 CD ARG A 23 4.732 6.046 10.784 1.00 1.21 C ATOM 316 NE ARG A 23 5.499 6.371 9.572 1.00 2.49 N ATOM 317 CZ ARG A 23 6.828 6.554 9.526 1.00 3.46 C ATOM 318 NH1 ARG A 23 7.550 6.478 10.649 1.00 3.23 N ATOM 319 NH2 ARG A 23 7.427 6.814 8.358 1.00 5.24 N ATOM 0 H ARG A 23 0.954 5.252 8.851 1.00 0.50 H new ATOM 0 HA ARG A 23 3.503 5.576 7.785 1.00 0.59 H new ATOM 0 HB2 ARG A 23 2.404 3.771 9.966 1.00 0.71 H new ATOM 0 HB3 ARG A 23 4.116 3.886 9.610 1.00 0.71 H new ATOM 0 HG2 ARG A 23 2.794 6.522 9.962 1.00 0.81 H new ATOM 0 HG3 ARG A 23 2.732 5.507 11.390 1.00 0.81 H new ATOM 0 HD2 ARG A 23 4.750 6.898 11.464 1.00 1.21 H new ATOM 0 HD3 ARG A 23 5.208 5.214 11.302 1.00 1.21 H new ATOM 0 HE ARG A 23 4.981 6.465 8.698 1.00 2.49 H new ATOM 0 HH11 ARG A 23 7.091 6.281 11.538 1.00 3.23 H new ATOM 0 HH12 ARG A 23 8.560 6.617 10.616 1.00 3.23 H new ATOM 0 HH21 ARG A 23 6.874 6.873 7.503 1.00 5.24 H new ATOM 0 HH22 ARG A 23 8.437 6.953 8.323 1.00 5.24 H new ATOM 333 N ILE A 24 2.258 2.548 7.220 1.00 0.55 N ATOM 334 CA ILE A 24 2.360 1.364 6.372 1.00 0.60 C ATOM 335 C ILE A 24 2.594 1.825 4.931 1.00 0.52 C ATOM 336 O ILE A 24 3.616 1.506 4.321 1.00 0.57 O ATOM 337 CB ILE A 24 1.082 0.501 6.481 1.00 0.64 C ATOM 338 CG1 ILE A 24 0.840 -0.079 7.883 1.00 0.74 C ATOM 339 CG2 ILE A 24 1.069 -0.660 5.479 1.00 0.70 C ATOM 340 CD1 ILE A 24 -0.616 -0.548 8.050 1.00 0.79 C ATOM 0 H ILE A 24 1.452 2.527 7.845 1.00 0.55 H new ATOM 0 HA ILE A 24 3.194 0.743 6.697 1.00 0.60 H new ATOM 0 HB ILE A 24 0.279 1.201 6.252 1.00 0.64 H new ATOM 0 HG12 ILE A 24 1.516 -0.917 8.054 1.00 0.74 H new ATOM 0 HG13 ILE A 24 1.070 0.675 8.636 1.00 0.74 H new ATOM 0 HG21 ILE A 24 0.150 -1.233 5.599 1.00 0.70 H new ATOM 0 HG22 ILE A 24 1.121 -0.265 4.464 1.00 0.70 H new ATOM 0 HG23 ILE A 24 1.927 -1.307 5.661 1.00 0.70 H new ATOM 0 HD11 ILE A 24 -0.755 -0.953 9.052 1.00 0.79 H new ATOM 0 HD12 ILE A 24 -1.289 0.296 7.903 1.00 0.79 H new ATOM 0 HD13 ILE A 24 -0.836 -1.320 7.313 1.00 0.79 H new ATOM 352 N GLU A 25 1.661 2.611 4.390 1.00 0.42 N ATOM 353 CA GLU A 25 1.724 2.941 2.978 1.00 0.34 C ATOM 354 C GLU A 25 2.904 3.881 2.701 1.00 0.34 C ATOM 355 O GLU A 25 3.555 3.795 1.663 1.00 0.39 O ATOM 356 CB GLU A 25 0.412 3.580 2.512 1.00 0.36 C ATOM 357 CG GLU A 25 0.066 3.096 1.093 1.00 0.37 C ATOM 358 CD GLU A 25 -0.348 1.627 1.020 1.00 1.17 C ATOM 359 OE1 GLU A 25 -0.502 1.011 2.097 1.00 2.55 O ATOM 360 OE2 GLU A 25 -0.503 1.148 -0.124 1.00 1.80 O ATOM 0 H GLU A 25 0.875 3.018 4.898 1.00 0.42 H new ATOM 0 HA GLU A 25 1.874 2.019 2.417 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -0.393 3.321 3.200 1.00 0.36 H new ATOM 0 HB3 GLU A 25 0.503 4.666 2.523 1.00 0.36 H new ATOM 0 HG2 GLU A 25 -0.743 3.711 0.698 1.00 0.37 H new ATOM 0 HG3 GLU A 25 0.930 3.252 0.447 1.00 0.37 H new ATOM 367 N LYS A 26 3.209 4.793 3.629 1.00 0.35 N ATOM 368 CA LYS A 26 4.397 5.623 3.533 1.00 0.37 C ATOM 369 C LYS A 26 5.673 4.776 3.531 1.00 0.42 C ATOM 370 O LYS A 26 6.683 5.178 2.955 1.00 0.51 O ATOM 371 CB LYS A 26 4.405 6.665 4.655 1.00 0.56 C ATOM 372 CG LYS A 26 3.610 7.928 4.289 1.00 0.64 C ATOM 373 CD LYS A 26 4.401 8.785 3.282 1.00 0.78 C ATOM 374 CE LYS A 26 3.730 10.128 2.951 1.00 0.97 C ATOM 375 NZ LYS A 26 3.722 11.070 4.091 1.00 1.28 N ATOM 0 H LYS A 26 2.641 4.970 4.457 1.00 0.35 H new ATOM 0 HA LYS A 26 4.373 6.153 2.581 1.00 0.37 H new ATOM 0 HB2 LYS A 26 3.985 6.224 5.559 1.00 0.56 H new ATOM 0 HB3 LYS A 26 5.435 6.941 4.883 1.00 0.56 H new ATOM 0 HG2 LYS A 26 2.647 7.649 3.862 1.00 0.64 H new ATOM 0 HG3 LYS A 26 3.403 8.509 5.188 1.00 0.64 H new ATOM 0 HD2 LYS A 26 5.396 8.976 3.684 1.00 0.78 H new ATOM 0 HD3 LYS A 26 4.532 8.218 2.360 1.00 0.78 H new ATOM 0 HE2 LYS A 26 4.249 10.589 2.110 1.00 0.97 H new ATOM 0 HE3 LYS A 26 2.704 9.946 2.631 1.00 0.97 H new ATOM 0 HZ1 LYS A 26 3.257 11.956 3.806 1.00 1.28 H new ATOM 0 HZ2 LYS A 26 3.203 10.647 4.887 1.00 1.28 H new ATOM 0 HZ3 LYS A 26 4.700 11.271 4.382 1.00 1.28 H new ATOM 389 N GLY A 27 5.636 3.595 4.143 1.00 0.42 N ATOM 390 CA GLY A 27 6.630 2.570 3.902 1.00 0.44 C ATOM 391 C GLY A 27 6.698 2.238 2.407 1.00 0.43 C ATOM 392 O GLY A 27 7.769 2.300 1.806 1.00 0.46 O ATOM 0 H GLY A 27 4.917 3.329 4.816 1.00 0.42 H new ATOM 0 HA2 GLY A 27 7.605 2.910 4.251 1.00 0.44 H new ATOM 0 HA3 GLY A 27 6.383 1.673 4.470 1.00 0.44 H new ATOM 396 N LEU A 28 5.559 1.924 1.778 1.00 0.40 N ATOM 397 CA LEU A 28 5.537 1.585 0.359 1.00 0.35 C ATOM 398 C LEU A 28 5.971 2.727 -0.549 1.00 0.26 C ATOM 399 O LEU A 28 6.577 2.469 -1.581 1.00 0.25 O ATOM 400 CB LEU A 28 4.175 1.091 -0.091 1.00 0.37 C ATOM 401 CG LEU A 28 3.824 -0.260 0.538 1.00 0.35 C ATOM 402 CD1 LEU A 28 2.378 -0.530 0.135 1.00 0.40 C ATOM 403 CD2 LEU A 28 4.800 -1.381 0.129 1.00 0.34 C ATOM 0 H LEU A 28 4.646 1.899 2.232 1.00 0.40 H new ATOM 0 HA LEU A 28 6.268 0.782 0.262 1.00 0.35 H new ATOM 0 HB2 LEU A 28 3.415 1.825 0.177 1.00 0.37 H new ATOM 0 HB3 LEU A 28 4.162 1.001 -1.177 1.00 0.37 H new ATOM 0 HG LEU A 28 3.923 -0.235 1.623 1.00 0.35 H new ATOM 0 HD11 LEU A 28 2.056 -1.485 0.551 1.00 0.40 H new ATOM 0 HD12 LEU A 28 1.739 0.266 0.517 1.00 0.40 H new ATOM 0 HD13 LEU A 28 2.304 -0.565 -0.952 1.00 0.40 H new ATOM 0 HD21 LEU A 28 4.501 -2.315 0.605 1.00 0.34 H new ATOM 0 HD22 LEU A 28 4.781 -1.503 -0.954 1.00 0.34 H new ATOM 0 HD23 LEU A 28 5.809 -1.119 0.446 1.00 0.34 H new ATOM 415 N LYS A 29 5.705 3.977 -0.163 1.00 0.25 N ATOM 416 CA LYS A 29 6.252 5.169 -0.815 1.00 0.26 C ATOM 417 C LYS A 29 7.781 5.085 -0.964 1.00 0.27 C ATOM 418 O LYS A 29 8.352 5.807 -1.778 1.00 0.34 O ATOM 419 CB LYS A 29 5.775 6.429 -0.066 1.00 0.35 C ATOM 420 CG LYS A 29 6.589 7.717 -0.262 1.00 0.68 C ATOM 421 CD LYS A 29 6.440 8.335 -1.653 1.00 1.49 C ATOM 422 CE LYS A 29 5.013 8.850 -1.866 1.00 1.31 C ATOM 423 NZ LYS A 29 4.963 9.896 -2.912 1.00 1.93 N ATOM 0 H LYS A 29 5.093 4.193 0.624 1.00 0.25 H new ATOM 0 HA LYS A 29 5.872 5.231 -1.835 1.00 0.26 H new ATOM 0 HB2 LYS A 29 4.747 6.631 -0.367 1.00 0.35 H new ATOM 0 HB3 LYS A 29 5.756 6.201 1.000 1.00 0.35 H new ATOM 0 HG2 LYS A 29 6.280 8.448 0.485 1.00 0.68 H new ATOM 0 HG3 LYS A 29 7.642 7.501 -0.081 1.00 0.68 H new ATOM 0 HD2 LYS A 29 7.149 9.154 -1.770 1.00 1.49 H new ATOM 0 HD3 LYS A 29 6.682 7.593 -2.414 1.00 1.49 H new ATOM 0 HE2 LYS A 29 4.364 8.021 -2.148 1.00 1.31 H new ATOM 0 HE3 LYS A 29 4.627 9.252 -0.929 1.00 1.31 H new ATOM 0 HZ1 LYS A 29 4.023 10.341 -2.914 1.00 1.93 H new ATOM 0 HZ2 LYS A 29 5.687 10.617 -2.717 1.00 1.93 H new ATOM 0 HZ3 LYS A 29 5.144 9.466 -3.842 1.00 1.93 H new ATOM 437 N ARG A 30 8.457 4.226 -0.195 1.00 0.27 N ATOM 438 CA ARG A 30 9.895 4.028 -0.292 1.00 0.29 C ATOM 439 C ARG A 30 10.293 2.904 -1.269 1.00 0.25 C ATOM 440 O ARG A 30 11.485 2.734 -1.514 1.00 0.36 O ATOM 441 CB ARG A 30 10.437 3.813 1.132 1.00 0.41 C ATOM 442 CG ARG A 30 11.779 4.520 1.368 1.00 0.93 C ATOM 443 CD ARG A 30 11.991 4.734 2.872 1.00 1.77 C ATOM 444 NE ARG A 30 13.241 5.466 3.135 1.00 2.74 N ATOM 445 CZ ARG A 30 13.568 6.032 4.309 1.00 3.20 C ATOM 446 NH1 ARG A 30 12.742 5.919 5.355 1.00 3.28 N ATOM 447 NH2 ARG A 30 14.715 6.711 4.432 1.00 4.14 N ATOM 0 H ARG A 30 8.012 3.646 0.517 1.00 0.27 H new ATOM 0 HA ARG A 30 10.353 4.916 -0.726 1.00 0.29 H new ATOM 0 HB2 ARG A 30 9.706 4.179 1.853 1.00 0.41 H new ATOM 0 HB3 ARG A 30 10.557 2.745 1.313 1.00 0.41 H new ATOM 0 HG2 ARG A 30 12.593 3.923 0.957 1.00 0.93 H new ATOM 0 HG3 ARG A 30 11.793 5.478 0.849 1.00 0.93 H new ATOM 0 HD2 ARG A 30 11.148 5.288 3.285 1.00 1.77 H new ATOM 0 HD3 ARG A 30 12.018 3.769 3.379 1.00 1.77 H new ATOM 0 HE ARG A 30 13.909 5.550 2.369 1.00 2.74 H new ATOM 0 HH11 ARG A 30 11.867 5.404 5.260 1.00 3.28 H new ATOM 0 HH12 ARG A 30 12.988 6.348 6.247 1.00 3.28 H new ATOM 0 HH21 ARG A 30 15.343 6.800 3.633 1.00 4.14 H new ATOM 0 HH22 ARG A 30 14.961 7.140 5.324 1.00 4.14 H new ATOM 461 N MET A 31 9.350 2.122 -1.820 1.00 0.22 N ATOM 462 CA MET A 31 9.702 1.033 -2.742 1.00 0.20 C ATOM 463 C MET A 31 10.076 1.549 -4.147 1.00 0.17 C ATOM 464 O MET A 31 9.418 2.450 -4.668 1.00 0.19 O ATOM 465 CB MET A 31 8.570 0.000 -2.842 1.00 0.23 C ATOM 466 CG MET A 31 8.413 -0.773 -1.529 1.00 0.40 C ATOM 467 SD MET A 31 7.788 -2.465 -1.644 1.00 2.12 S ATOM 468 CE MET A 31 9.240 -3.280 -2.341 1.00 2.19 C ATOM 0 H MET A 31 8.350 2.222 -1.645 1.00 0.22 H new ATOM 0 HA MET A 31 10.584 0.549 -2.323 1.00 0.20 H new ATOM 0 HB2 MET A 31 7.634 0.503 -3.086 1.00 0.23 H new ATOM 0 HB3 MET A 31 8.779 -0.696 -3.655 1.00 0.23 H new ATOM 0 HG2 MET A 31 9.384 -0.803 -1.035 1.00 0.40 H new ATOM 0 HG3 MET A 31 7.743 -0.208 -0.881 1.00 0.40 H new ATOM 0 HE1 MET A 31 9.137 -4.360 -2.235 1.00 2.19 H new ATOM 0 HE2 MET A 31 9.328 -3.026 -3.397 1.00 2.19 H new ATOM 0 HE3 MET A 31 10.133 -2.947 -1.812 1.00 2.19 H new ATOM 478 N PRO A 32 11.108 0.972 -4.788 1.00 0.20 N ATOM 479 CA PRO A 32 11.639 1.452 -6.057 1.00 0.23 C ATOM 480 C PRO A 32 10.677 1.158 -7.211 1.00 0.27 C ATOM 481 O PRO A 32 10.787 0.111 -7.836 1.00 0.46 O ATOM 482 CB PRO A 32 12.965 0.703 -6.239 1.00 0.29 C ATOM 483 CG PRO A 32 12.719 -0.622 -5.516 1.00 0.29 C ATOM 484 CD PRO A 32 11.864 -0.185 -4.327 1.00 0.26 C ATOM 0 HA PRO A 32 11.776 2.533 -6.055 1.00 0.23 H new ATOM 0 HB2 PRO A 32 13.200 0.550 -7.292 1.00 0.29 H new ATOM 0 HB3 PRO A 32 13.800 1.251 -5.803 1.00 0.29 H new ATOM 0 HG2 PRO A 32 12.199 -1.341 -6.149 1.00 0.29 H new ATOM 0 HG3 PRO A 32 13.650 -1.092 -5.198 1.00 0.29 H new ATOM 0 HD2 PRO A 32 11.197 -0.987 -4.009 1.00 0.26 H new ATOM 0 HD3 PRO A 32 12.487 0.071 -3.470 1.00 0.26 H new ATOM 492 N GLY A 33 9.750 2.080 -7.483 1.00 0.23 N ATOM 493 CA GLY A 33 8.755 1.971 -8.545 1.00 0.22 C ATOM 494 C GLY A 33 7.428 2.600 -8.123 1.00 0.22 C ATOM 495 O GLY A 33 6.566 2.852 -8.962 1.00 0.23 O ATOM 0 H GLY A 33 9.671 2.948 -6.953 1.00 0.23 H new ATOM 0 HA2 GLY A 33 9.124 2.463 -9.445 1.00 0.22 H new ATOM 0 HA3 GLY A 33 8.600 0.922 -8.796 1.00 0.22 H new ATOM 499 N VAL A 34 7.234 2.858 -6.824 1.00 0.22 N ATOM 500 CA VAL A 34 6.107 3.646 -6.351 1.00 0.22 C ATOM 501 C VAL A 34 6.207 5.092 -6.841 1.00 0.24 C ATOM 502 O VAL A 34 7.300 5.610 -7.069 1.00 0.25 O ATOM 503 CB VAL A 34 6.064 3.558 -4.820 1.00 0.21 C ATOM 504 CG1 VAL A 34 7.174 4.420 -4.212 1.00 0.25 C ATOM 505 CG2 VAL A 34 4.692 3.946 -4.254 1.00 0.26 C ATOM 0 H VAL A 34 7.852 2.527 -6.083 1.00 0.22 H new ATOM 0 HA VAL A 34 5.176 3.249 -6.755 1.00 0.22 H new ATOM 0 HB VAL A 34 6.233 2.517 -4.544 1.00 0.21 H new ATOM 0 HG11 VAL A 34 7.135 4.350 -3.125 1.00 0.25 H new ATOM 0 HG12 VAL A 34 8.143 4.066 -4.563 1.00 0.25 H new ATOM 0 HG13 VAL A 34 7.035 5.458 -4.514 1.00 0.25 H new ATOM 0 HG21 VAL A 34 4.712 3.868 -3.167 1.00 0.26 H new ATOM 0 HG22 VAL A 34 4.457 4.971 -4.540 1.00 0.26 H new ATOM 0 HG23 VAL A 34 3.931 3.275 -4.652 1.00 0.26 H new ATOM 515 N THR A 35 5.054 5.750 -6.941 1.00 0.29 N ATOM 516 CA THR A 35 4.938 7.187 -7.128 1.00 0.34 C ATOM 517 C THR A 35 4.314 7.778 -5.872 1.00 0.32 C ATOM 518 O THR A 35 4.974 8.545 -5.173 1.00 0.39 O ATOM 519 CB THR A 35 4.130 7.542 -8.389 1.00 0.43 C ATOM 520 OG1 THR A 35 3.717 6.374 -9.064 1.00 0.49 O ATOM 521 CG2 THR A 35 4.978 8.381 -9.351 1.00 0.50 C ATOM 0 H THR A 35 4.150 5.280 -6.892 1.00 0.29 H new ATOM 0 HA THR A 35 5.928 7.615 -7.284 1.00 0.34 H new ATOM 0 HB THR A 35 3.256 8.110 -8.070 1.00 0.43 H new ATOM 0 HG1 THR A 35 3.257 5.778 -8.436 1.00 0.49 H new ATOM 0 HG21 THR A 35 4.391 8.623 -10.237 1.00 0.50 H new ATOM 0 HG22 THR A 35 5.285 9.302 -8.856 1.00 0.50 H new ATOM 0 HG23 THR A 35 5.862 7.815 -9.645 1.00 0.50 H new ATOM 529 N ASP A 36 3.062 7.412 -5.565 1.00 0.28 N ATOM 530 CA ASP A 36 2.279 8.101 -4.541 1.00 0.26 C ATOM 531 C ASP A 36 1.274 7.181 -3.864 1.00 0.32 C ATOM 532 O ASP A 36 0.616 6.390 -4.530 1.00 0.62 O ATOM 533 CB ASP A 36 1.590 9.346 -5.118 1.00 0.36 C ATOM 534 CG ASP A 36 2.484 10.564 -4.985 1.00 1.64 C ATOM 535 OD1 ASP A 36 2.758 10.923 -3.816 1.00 2.12 O ATOM 536 OD2 ASP A 36 2.953 11.060 -6.026 1.00 3.18 O ATOM 0 H ASP A 36 2.572 6.639 -6.016 1.00 0.28 H new ATOM 0 HA ASP A 36 2.979 8.425 -3.771 1.00 0.26 H new ATOM 0 HB2 ASP A 36 1.347 9.180 -6.168 1.00 0.36 H new ATOM 0 HB3 ASP A 36 0.649 9.521 -4.597 1.00 0.36 H new ATOM 541 N ALA A 37 1.173 7.301 -2.536 1.00 0.23 N ATOM 542 CA ALA A 37 0.230 6.591 -1.687 1.00 0.30 C ATOM 543 C ALA A 37 -0.909 7.528 -1.288 1.00 0.52 C ATOM 544 O ALA A 37 -0.701 8.736 -1.184 1.00 0.95 O ATOM 545 CB ALA A 37 0.978 6.109 -0.443 1.00 0.52 C ATOM 0 H ALA A 37 1.779 7.927 -2.006 1.00 0.23 H new ATOM 0 HA ALA A 37 -0.195 5.739 -2.218 1.00 0.30 H new ATOM 0 HB1 ALA A 37 0.290 5.573 0.210 1.00 0.52 H new ATOM 0 HB2 ALA A 37 1.789 5.444 -0.741 1.00 0.52 H new ATOM 0 HB3 ALA A 37 1.389 6.967 0.089 1.00 0.52 H new ATOM 551 N ASN A 38 -2.107 6.987 -1.051 1.00 0.33 N ATOM 552 CA ASN A 38 -3.286 7.735 -0.626 1.00 0.44 C ATOM 553 C ASN A 38 -4.164 6.820 0.235 1.00 0.32 C ATOM 554 O ASN A 38 -4.805 5.904 -0.274 1.00 0.31 O ATOM 555 CB ASN A 38 -4.049 8.263 -1.856 1.00 0.59 C ATOM 556 CG ASN A 38 -4.014 9.784 -1.968 1.00 0.89 C ATOM 557 OD1 ASN A 38 -5.053 10.432 -2.023 1.00 1.92 O ATOM 558 ND2 ASN A 38 -2.824 10.377 -1.998 1.00 0.89 N ATOM 0 H ASN A 38 -2.285 5.988 -1.153 1.00 0.33 H new ATOM 0 HA ASN A 38 -2.993 8.600 -0.031 1.00 0.44 H new ATOM 0 HB2 ASN A 38 -3.620 7.827 -2.758 1.00 0.59 H new ATOM 0 HB3 ASN A 38 -5.086 7.931 -1.804 1.00 0.59 H new ATOM 0 HD21 ASN A 38 -2.762 11.393 -2.068 1.00 0.89 H new ATOM 0 HD22 ASN A 38 -1.973 9.816 -1.951 1.00 0.89 H new ATOM 565 N VAL A 39 -4.165 7.043 1.551 1.00 0.30 N ATOM 566 CA VAL A 39 -4.891 6.209 2.502 1.00 0.27 C ATOM 567 C VAL A 39 -6.355 6.655 2.607 1.00 0.26 C ATOM 568 O VAL A 39 -6.630 7.852 2.635 1.00 0.35 O ATOM 569 CB VAL A 39 -4.125 6.203 3.838 1.00 0.43 C ATOM 570 CG1 VAL A 39 -4.211 7.533 4.598 1.00 0.57 C ATOM 571 CG2 VAL A 39 -4.610 5.061 4.729 1.00 0.55 C ATOM 0 H VAL A 39 -3.658 7.813 1.986 1.00 0.30 H new ATOM 0 HA VAL A 39 -4.940 5.175 2.160 1.00 0.27 H new ATOM 0 HB VAL A 39 -3.076 6.055 3.584 1.00 0.43 H new ATOM 0 HG11 VAL A 39 -3.649 7.457 5.529 1.00 0.57 H new ATOM 0 HG12 VAL A 39 -3.791 8.330 3.985 1.00 0.57 H new ATOM 0 HG13 VAL A 39 -5.254 7.758 4.821 1.00 0.57 H new ATOM 0 HG21 VAL A 39 -4.057 5.073 5.668 1.00 0.55 H new ATOM 0 HG22 VAL A 39 -5.674 5.185 4.932 1.00 0.55 H new ATOM 0 HG23 VAL A 39 -4.445 4.110 4.223 1.00 0.55 H new ATOM 581 N ASN A 40 -7.293 5.697 2.651 1.00 0.23 N ATOM 582 CA ASN A 40 -8.734 5.918 2.690 1.00 0.27 C ATOM 583 C ASN A 40 -9.388 5.082 3.786 1.00 0.26 C ATOM 584 O ASN A 40 -10.182 4.173 3.528 1.00 0.24 O ATOM 585 CB ASN A 40 -9.358 5.631 1.318 1.00 0.30 C ATOM 586 CG ASN A 40 -10.779 6.183 1.241 1.00 0.81 C ATOM 587 OD1 ASN A 40 -11.213 6.935 2.108 1.00 1.00 O ATOM 588 ND2 ASN A 40 -11.538 5.774 0.230 1.00 1.21 N ATOM 0 H ASN A 40 -7.050 4.706 2.661 1.00 0.23 H new ATOM 0 HA ASN A 40 -8.915 6.966 2.929 1.00 0.27 H new ATOM 0 HB2 ASN A 40 -8.746 6.079 0.535 1.00 0.30 H new ATOM 0 HB3 ASN A 40 -9.371 4.556 1.137 1.00 0.30 H new ATOM 0 HD21 ASN A 40 -12.507 6.085 0.161 1.00 1.21 H new ATOM 0 HD22 ASN A 40 -11.152 5.149 -0.477 1.00 1.21 H new ATOM 595 N LEU A 41 -9.066 5.408 5.038 1.00 0.32 N ATOM 596 CA LEU A 41 -9.599 4.689 6.189 1.00 0.35 C ATOM 597 C LEU A 41 -11.104 4.895 6.351 1.00 0.38 C ATOM 598 O LEU A 41 -11.769 4.058 6.950 1.00 0.40 O ATOM 599 CB LEU A 41 -8.832 5.047 7.466 1.00 0.47 C ATOM 600 CG LEU A 41 -7.315 4.816 7.331 1.00 0.58 C ATOM 601 CD1 LEU A 41 -6.616 4.805 8.698 1.00 0.67 C ATOM 602 CD2 LEU A 41 -7.005 3.496 6.616 1.00 0.73 C ATOM 0 H LEU A 41 -8.434 6.171 5.279 1.00 0.32 H new ATOM 0 HA LEU A 41 -9.452 3.625 6.004 1.00 0.35 H new ATOM 0 HB2 LEU A 41 -9.016 6.092 7.715 1.00 0.47 H new ATOM 0 HB3 LEU A 41 -9.214 4.450 8.294 1.00 0.47 H new ATOM 0 HG LEU A 41 -6.936 5.648 6.738 1.00 0.58 H new ATOM 0 HD11 LEU A 41 -5.548 4.639 8.559 1.00 0.67 H new ATOM 0 HD12 LEU A 41 -6.773 5.762 9.195 1.00 0.67 H new ATOM 0 HD13 LEU A 41 -7.030 4.005 9.312 1.00 0.67 H new ATOM 0 HD21 LEU A 41 -5.925 3.368 6.540 1.00 0.73 H new ATOM 0 HD22 LEU A 41 -7.429 2.667 7.182 1.00 0.73 H new ATOM 0 HD23 LEU A 41 -7.440 3.513 5.617 1.00 0.73 H new ATOM 614 N ALA A 42 -11.654 5.946 5.734 1.00 0.41 N ATOM 615 CA ALA A 42 -13.093 6.150 5.614 1.00 0.45 C ATOM 616 C ALA A 42 -13.764 5.008 4.843 1.00 0.46 C ATOM 617 O ALA A 42 -14.989 4.939 4.784 1.00 0.65 O ATOM 618 CB ALA A 42 -13.359 7.484 4.909 1.00 0.51 C ATOM 0 H ALA A 42 -11.102 6.685 5.300 1.00 0.41 H new ATOM 0 HA ALA A 42 -13.520 6.166 6.617 1.00 0.45 H new ATOM 0 HB1 ALA A 42 -14.434 7.639 4.818 1.00 0.51 H new ATOM 0 HB2 ALA A 42 -12.923 8.296 5.491 1.00 0.51 H new ATOM 0 HB3 ALA A 42 -12.909 7.467 3.916 1.00 0.51 H new ATOM 624 N THR A 43 -12.970 4.150 4.199 1.00 0.36 N ATOM 625 CA THR A 43 -13.437 2.966 3.504 1.00 0.37 C ATOM 626 C THR A 43 -12.526 1.774 3.849 1.00 0.32 C ATOM 627 O THR A 43 -12.491 0.797 3.106 1.00 0.31 O ATOM 628 CB THR A 43 -13.448 3.328 2.006 1.00 0.39 C ATOM 629 OG1 THR A 43 -14.057 4.596 1.829 1.00 0.46 O ATOM 630 CG2 THR A 43 -14.215 2.337 1.132 1.00 0.44 C ATOM 0 H THR A 43 -11.958 4.270 4.150 1.00 0.36 H new ATOM 0 HA THR A 43 -14.440 2.660 3.801 1.00 0.37 H new ATOM 0 HB THR A 43 -12.403 3.316 1.695 1.00 0.39 H new ATOM 0 HG1 THR A 43 -14.062 4.826 0.876 1.00 0.46 H new ATOM 0 HG21 THR A 43 -14.176 2.662 0.092 1.00 0.44 H new ATOM 0 HG22 THR A 43 -13.764 1.349 1.220 1.00 0.44 H new ATOM 0 HG23 THR A 43 -15.254 2.292 1.459 1.00 0.44 H new ATOM 638 N GLU A 44 -11.741 1.866 4.935 1.00 0.31 N ATOM 639 CA GLU A 44 -10.757 0.865 5.348 1.00 0.30 C ATOM 640 C GLU A 44 -9.913 0.368 4.166 1.00 0.28 C ATOM 641 O GLU A 44 -9.610 -0.820 4.057 1.00 0.33 O ATOM 642 CB GLU A 44 -11.446 -0.290 6.089 1.00 0.36 C ATOM 643 CG GLU A 44 -12.307 0.198 7.264 1.00 0.48 C ATOM 644 CD GLU A 44 -13.789 0.215 6.908 1.00 1.76 C ATOM 645 OE1 GLU A 44 -14.430 -0.833 7.133 1.00 2.10 O ATOM 646 OE2 GLU A 44 -14.249 1.266 6.408 1.00 3.31 O ATOM 0 H GLU A 44 -11.779 2.666 5.566 1.00 0.31 H new ATOM 0 HA GLU A 44 -10.063 1.341 6.040 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -12.072 -0.845 5.390 1.00 0.36 H new ATOM 0 HB3 GLU A 44 -10.690 -0.983 6.459 1.00 0.36 H new ATOM 0 HG2 GLU A 44 -12.147 -0.450 8.126 1.00 0.48 H new ATOM 0 HG3 GLU A 44 -11.991 1.200 7.555 1.00 0.48 H new ATOM 653 N THR A 45 -9.543 1.288 3.271 1.00 0.25 N ATOM 654 CA THR A 45 -8.926 0.977 1.996 1.00 0.26 C ATOM 655 C THR A 45 -7.750 1.917 1.816 1.00 0.22 C ATOM 656 O THR A 45 -7.710 2.997 2.405 1.00 0.21 O ATOM 657 CB THR A 45 -9.985 1.105 0.882 1.00 0.29 C ATOM 658 OG1 THR A 45 -10.922 0.056 1.010 1.00 0.49 O ATOM 659 CG2 THR A 45 -9.455 1.037 -0.554 1.00 0.29 C ATOM 0 H THR A 45 -9.670 2.288 3.424 1.00 0.25 H new ATOM 0 HA THR A 45 -8.551 -0.046 1.953 1.00 0.26 H new ATOM 0 HB THR A 45 -10.407 2.100 1.024 1.00 0.29 H new ATOM 0 HG1 THR A 45 -11.499 0.226 1.783 1.00 0.49 H new ATOM 0 HG21 THR A 45 -10.285 1.138 -1.253 1.00 0.29 H new ATOM 0 HG22 THR A 45 -8.743 1.846 -0.718 1.00 0.29 H new ATOM 0 HG23 THR A 45 -8.960 0.079 -0.714 1.00 0.29 H new ATOM 667 N VAL A 46 -6.779 1.498 1.015 1.00 0.24 N ATOM 668 CA VAL A 46 -5.669 2.336 0.627 1.00 0.24 C ATOM 669 C VAL A 46 -5.478 2.245 -0.882 1.00 0.24 C ATOM 670 O VAL A 46 -5.704 1.192 -1.481 1.00 0.26 O ATOM 671 CB VAL A 46 -4.445 1.945 1.453 1.00 0.34 C ATOM 672 CG1 VAL A 46 -4.001 0.495 1.214 1.00 0.48 C ATOM 673 CG2 VAL A 46 -3.268 2.874 1.167 1.00 0.28 C ATOM 0 H VAL A 46 -6.746 0.559 0.617 1.00 0.24 H new ATOM 0 HA VAL A 46 -5.855 3.389 0.840 1.00 0.24 H new ATOM 0 HB VAL A 46 -4.750 2.039 2.495 1.00 0.34 H new ATOM 0 HG11 VAL A 46 -3.128 0.276 1.828 1.00 0.48 H new ATOM 0 HG12 VAL A 46 -4.812 -0.183 1.482 1.00 0.48 H new ATOM 0 HG13 VAL A 46 -3.748 0.361 0.162 1.00 0.48 H new ATOM 0 HG21 VAL A 46 -2.411 2.572 1.769 1.00 0.28 H new ATOM 0 HG22 VAL A 46 -3.007 2.816 0.110 1.00 0.28 H new ATOM 0 HG23 VAL A 46 -3.544 3.898 1.417 1.00 0.28 H new ATOM 683 N ASN A 47 -5.116 3.381 -1.480 1.00 0.26 N ATOM 684 CA ASN A 47 -4.778 3.527 -2.880 1.00 0.29 C ATOM 685 C ASN A 47 -3.286 3.800 -2.946 1.00 0.25 C ATOM 686 O ASN A 47 -2.757 4.520 -2.102 1.00 0.29 O ATOM 687 CB ASN A 47 -5.598 4.673 -3.497 1.00 0.40 C ATOM 688 CG ASN A 47 -4.930 5.337 -4.703 1.00 0.89 C ATOM 689 OD1 ASN A 47 -4.641 6.528 -4.674 1.00 2.49 O ATOM 690 ND2 ASN A 47 -4.673 4.599 -5.777 1.00 1.57 N ATOM 0 H ASN A 47 -5.050 4.261 -0.969 1.00 0.26 H new ATOM 0 HA ASN A 47 -5.014 2.628 -3.450 1.00 0.29 H new ATOM 0 HB2 ASN A 47 -6.571 4.287 -3.800 1.00 0.40 H new ATOM 0 HB3 ASN A 47 -5.779 5.429 -2.733 1.00 0.40 H new ATOM 0 HD21 ASN A 47 -4.229 5.022 -6.592 1.00 1.57 H new ATOM 0 HD22 ASN A 47 -4.919 3.609 -5.786 1.00 1.57 H new ATOM 697 N VAL A 48 -2.606 3.237 -3.941 1.00 0.26 N ATOM 698 CA VAL A 48 -1.221 3.567 -4.206 1.00 0.27 C ATOM 699 C VAL A 48 -0.972 3.442 -5.706 1.00 0.26 C ATOM 700 O VAL A 48 -1.590 2.615 -6.376 1.00 0.32 O ATOM 701 CB VAL A 48 -0.270 2.762 -3.295 1.00 0.28 C ATOM 702 CG1 VAL A 48 -0.430 1.250 -3.460 1.00 0.28 C ATOM 703 CG2 VAL A 48 1.200 3.138 -3.520 1.00 0.33 C ATOM 0 H VAL A 48 -3.001 2.545 -4.578 1.00 0.26 H new ATOM 0 HA VAL A 48 -1.001 4.602 -3.945 1.00 0.27 H new ATOM 0 HB VAL A 48 -0.556 3.029 -2.278 1.00 0.28 H new ATOM 0 HG11 VAL A 48 0.264 0.736 -2.795 1.00 0.28 H new ATOM 0 HG12 VAL A 48 -1.452 0.963 -3.211 1.00 0.28 H new ATOM 0 HG13 VAL A 48 -0.216 0.972 -4.492 1.00 0.28 H new ATOM 0 HG21 VAL A 48 1.832 2.547 -2.858 1.00 0.33 H new ATOM 0 HG22 VAL A 48 1.472 2.938 -4.556 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.341 4.197 -3.306 1.00 0.33 H new ATOM 713 N ILE A 49 -0.126 4.330 -6.226 1.00 0.25 N ATOM 714 CA ILE A 49 0.192 4.482 -7.633 1.00 0.28 C ATOM 715 C ILE A 49 1.642 4.055 -7.812 1.00 0.25 C ATOM 716 O ILE A 49 2.526 4.648 -7.185 1.00 0.31 O ATOM 717 CB ILE A 49 -0.027 5.944 -8.070 1.00 0.32 C ATOM 718 CG1 ILE A 49 -1.454 6.441 -7.758 1.00 0.37 C ATOM 719 CG2 ILE A 49 0.235 6.078 -9.578 1.00 0.39 C ATOM 720 CD1 ILE A 49 -1.511 7.969 -7.683 1.00 0.73 C ATOM 0 H ILE A 49 0.379 4.995 -5.641 1.00 0.25 H new ATOM 0 HA ILE A 49 -0.456 3.865 -8.256 1.00 0.28 H new ATOM 0 HB ILE A 49 0.672 6.560 -7.504 1.00 0.32 H new ATOM 0 HG12 ILE A 49 -2.140 6.087 -8.528 1.00 0.37 H new ATOM 0 HG13 ILE A 49 -1.790 6.016 -6.812 1.00 0.37 H new ATOM 0 HG21 ILE A 49 0.079 7.113 -9.884 1.00 0.39 H new ATOM 0 HG22 ILE A 49 1.262 5.786 -9.796 1.00 0.39 H new ATOM 0 HG23 ILE A 49 -0.450 5.431 -10.125 1.00 0.39 H new ATOM 0 HD11 ILE A 49 -2.531 8.285 -7.462 1.00 0.73 H new ATOM 0 HD12 ILE A 49 -0.844 8.320 -6.896 1.00 0.73 H new ATOM 0 HD13 ILE A 49 -1.199 8.392 -8.638 1.00 0.73 H new ATOM 732 N TYR A 50 1.893 3.051 -8.655 1.00 0.23 N ATOM 733 CA TYR A 50 3.218 2.487 -8.875 1.00 0.22 C ATOM 734 C TYR A 50 3.396 2.075 -10.330 1.00 0.19 C ATOM 735 O TYR A 50 2.423 1.978 -11.081 1.00 0.23 O ATOM 736 CB TYR A 50 3.456 1.284 -7.948 1.00 0.24 C ATOM 737 CG TYR A 50 2.292 0.308 -7.839 1.00 0.27 C ATOM 738 CD1 TYR A 50 1.919 -0.492 -8.938 1.00 1.74 C ATOM 739 CD2 TYR A 50 1.642 0.127 -6.605 1.00 1.91 C ATOM 740 CE1 TYR A 50 0.993 -1.535 -8.773 1.00 1.69 C ATOM 741 CE2 TYR A 50 0.728 -0.927 -6.438 1.00 1.98 C ATOM 742 CZ TYR A 50 0.439 -1.787 -7.508 1.00 0.41 C ATOM 743 OH TYR A 50 -0.202 -2.969 -7.273 1.00 0.50 O ATOM 0 H TYR A 50 1.165 2.602 -9.212 1.00 0.23 H new ATOM 0 HA TYR A 50 3.955 3.256 -8.642 1.00 0.22 H new ATOM 0 HB2 TYR A 50 4.332 0.741 -8.302 1.00 0.24 H new ATOM 0 HB3 TYR A 50 3.692 1.655 -6.951 1.00 0.24 H new ATOM 0 HD1 TYR A 50 2.347 -0.302 -9.911 1.00 1.74 H new ATOM 0 HD2 TYR A 50 1.846 0.799 -5.785 1.00 1.91 H new ATOM 0 HE1 TYR A 50 0.707 -2.143 -9.619 1.00 1.69 H new ATOM 0 HE2 TYR A 50 0.246 -1.076 -5.483 1.00 1.98 H new ATOM 0 HH TYR A 50 -0.527 -2.987 -6.349 1.00 0.50 H new ATOM 753 N ASP A 51 4.652 1.819 -10.705 1.00 0.16 N ATOM 754 CA ASP A 51 5.041 1.355 -12.017 1.00 0.20 C ATOM 755 C ASP A 51 5.162 -0.171 -12.006 1.00 0.24 C ATOM 756 O ASP A 51 6.119 -0.677 -11.420 1.00 0.27 O ATOM 757 CB ASP A 51 6.377 2.010 -12.370 1.00 0.34 C ATOM 758 CG ASP A 51 6.733 1.714 -13.819 1.00 0.50 C ATOM 759 OD1 ASP A 51 6.681 0.512 -14.159 1.00 1.45 O ATOM 760 OD2 ASP A 51 7.026 2.677 -14.558 1.00 1.28 O ATOM 0 H ASP A 51 5.445 1.937 -10.074 1.00 0.16 H new ATOM 0 HA ASP A 51 4.295 1.625 -12.764 1.00 0.20 H new ATOM 0 HB2 ASP A 51 6.316 3.087 -12.214 1.00 0.34 H new ATOM 0 HB3 ASP A 51 7.160 1.636 -11.711 1.00 0.34 H new ATOM 765 N PRO A 52 4.261 -0.923 -12.663 1.00 0.35 N ATOM 766 CA PRO A 52 4.280 -2.379 -12.676 1.00 0.47 C ATOM 767 C PRO A 52 5.429 -2.972 -13.500 1.00 0.55 C ATOM 768 O PRO A 52 5.424 -4.177 -13.749 1.00 0.70 O ATOM 769 CB PRO A 52 2.905 -2.787 -13.214 1.00 0.64 C ATOM 770 CG PRO A 52 2.567 -1.652 -14.175 1.00 0.63 C ATOM 771 CD PRO A 52 3.177 -0.429 -13.493 1.00 0.43 C ATOM 0 HA PRO A 52 4.463 -2.773 -11.676 1.00 0.47 H new ATOM 0 HB2 PRO A 52 2.939 -3.751 -13.722 1.00 0.64 H new ATOM 0 HB3 PRO A 52 2.168 -2.874 -12.416 1.00 0.64 H new ATOM 0 HG2 PRO A 52 2.996 -1.819 -15.163 1.00 0.63 H new ATOM 0 HG3 PRO A 52 1.491 -1.544 -14.309 1.00 0.63 H new ATOM 0 HD2 PRO A 52 3.546 0.284 -14.231 1.00 0.43 H new ATOM 0 HD3 PRO A 52 2.433 0.092 -12.891 1.00 0.43 H new ATOM 779 N ALA A 53 6.427 -2.176 -13.896 1.00 0.51 N ATOM 780 CA ALA A 53 7.627 -2.703 -14.538 1.00 0.64 C ATOM 781 C ALA A 53 8.577 -3.161 -13.437 1.00 0.57 C ATOM 782 O ALA A 53 9.092 -4.277 -13.464 1.00 0.68 O ATOM 783 CB ALA A 53 8.276 -1.641 -15.435 1.00 0.74 C ATOM 0 H ALA A 53 6.424 -1.162 -13.781 1.00 0.51 H new ATOM 0 HA ALA A 53 7.377 -3.545 -15.184 1.00 0.64 H new ATOM 0 HB1 ALA A 53 9.169 -2.056 -15.903 1.00 0.74 H new ATOM 0 HB2 ALA A 53 7.570 -1.336 -16.207 1.00 0.74 H new ATOM 0 HB3 ALA A 53 8.551 -0.775 -14.833 1.00 0.74 H new ATOM 789 N GLU A 54 8.772 -2.283 -12.453 1.00 0.43 N ATOM 790 CA GLU A 54 9.556 -2.537 -11.255 1.00 0.39 C ATOM 791 C GLU A 54 8.686 -3.127 -10.145 1.00 0.35 C ATOM 792 O GLU A 54 9.131 -3.954 -9.351 1.00 0.42 O ATOM 793 CB GLU A 54 10.141 -1.201 -10.784 1.00 0.40 C ATOM 794 CG GLU A 54 11.233 -0.690 -11.732 1.00 0.55 C ATOM 795 CD GLU A 54 12.218 0.218 -11.002 1.00 1.34 C ATOM 796 OE1 GLU A 54 11.892 1.415 -10.852 1.00 2.62 O ATOM 797 OE2 GLU A 54 13.286 -0.307 -10.616 1.00 2.17 O ATOM 0 H GLU A 54 8.373 -1.345 -12.474 1.00 0.43 H new ATOM 0 HA GLU A 54 10.345 -3.254 -11.482 1.00 0.39 H new ATOM 0 HB2 GLU A 54 9.345 -0.460 -10.714 1.00 0.40 H new ATOM 0 HB3 GLU A 54 10.555 -1.319 -9.783 1.00 0.40 H new ATOM 0 HG2 GLU A 54 11.767 -1.536 -12.165 1.00 0.55 H new ATOM 0 HG3 GLU A 54 10.775 -0.145 -12.558 1.00 0.55 H new ATOM 804 N THR A 55 7.471 -2.601 -10.020 1.00 0.34 N ATOM 805 CA THR A 55 6.704 -2.558 -8.791 1.00 0.24 C ATOM 806 C THR A 55 5.205 -2.739 -8.896 1.00 0.32 C ATOM 807 O THR A 55 4.497 -1.944 -9.502 1.00 0.56 O ATOM 808 CB THR A 55 7.006 -1.243 -8.113 1.00 0.32 C ATOM 809 OG1 THR A 55 8.393 -1.195 -7.890 1.00 0.54 O ATOM 810 CG2 THR A 55 6.410 -1.129 -6.728 1.00 0.43 C ATOM 0 H THR A 55 6.979 -2.178 -10.807 1.00 0.34 H new ATOM 0 HA THR A 55 7.021 -3.433 -8.223 1.00 0.24 H new ATOM 0 HB THR A 55 6.603 -0.461 -8.756 1.00 0.32 H new ATOM 0 HG1 THR A 55 8.588 -0.548 -7.181 1.00 0.54 H new ATOM 0 HG21 THR A 55 6.666 -0.160 -6.300 1.00 0.43 H new ATOM 0 HG22 THR A 55 5.326 -1.223 -6.790 1.00 0.43 H new ATOM 0 HG23 THR A 55 6.808 -1.922 -6.094 1.00 0.43 H new ATOM 818 N GLY A 56 4.700 -3.691 -8.116 1.00 0.30 N ATOM 819 CA GLY A 56 3.322 -3.660 -7.709 1.00 0.55 C ATOM 820 C GLY A 56 3.137 -4.563 -6.506 1.00 0.40 C ATOM 821 O GLY A 56 4.094 -4.906 -5.807 1.00 0.30 O ATOM 0 H GLY A 56 5.232 -4.485 -7.761 1.00 0.30 H new ATOM 0 HA2 GLY A 56 3.026 -2.640 -7.462 1.00 0.55 H new ATOM 0 HA3 GLY A 56 2.681 -3.989 -8.527 1.00 0.55 H new ATOM 825 N THR A 57 1.881 -4.948 -6.310 1.00 0.44 N ATOM 826 CA THR A 57 1.365 -5.843 -5.293 1.00 0.41 C ATOM 827 C THR A 57 2.346 -6.962 -4.921 1.00 0.33 C ATOM 828 O THR A 57 2.541 -7.225 -3.741 1.00 0.32 O ATOM 829 CB THR A 57 -0.033 -6.319 -5.717 1.00 0.47 C ATOM 830 OG1 THR A 57 -0.516 -7.281 -4.814 1.00 0.75 O ATOM 831 CG2 THR A 57 -0.134 -6.838 -7.156 1.00 0.50 C ATOM 0 H THR A 57 1.135 -4.608 -6.916 1.00 0.44 H new ATOM 0 HA THR A 57 1.255 -5.303 -4.352 1.00 0.41 H new ATOM 0 HB THR A 57 -0.659 -5.427 -5.692 1.00 0.47 H new ATOM 0 HG1 THR A 57 -0.981 -7.989 -5.308 1.00 0.75 H new ATOM 0 HG21 THR A 57 -1.158 -7.150 -7.359 1.00 0.50 H new ATOM 0 HG22 THR A 57 0.148 -6.046 -7.849 1.00 0.50 H new ATOM 0 HG23 THR A 57 0.536 -7.688 -7.284 1.00 0.50 H new ATOM 839 N ALA A 58 3.011 -7.589 -5.894 1.00 0.33 N ATOM 840 CA ALA A 58 4.039 -8.592 -5.630 1.00 0.30 C ATOM 841 C ALA A 58 5.065 -8.128 -4.584 1.00 0.26 C ATOM 842 O ALA A 58 5.310 -8.806 -3.589 1.00 0.28 O ATOM 843 CB ALA A 58 4.744 -8.936 -6.948 1.00 0.33 C ATOM 0 H ALA A 58 2.850 -7.414 -6.886 1.00 0.33 H new ATOM 0 HA ALA A 58 3.551 -9.474 -5.215 1.00 0.30 H new ATOM 0 HB1 ALA A 58 5.515 -9.685 -6.764 1.00 0.33 H new ATOM 0 HB2 ALA A 58 4.017 -9.331 -7.657 1.00 0.33 H new ATOM 0 HB3 ALA A 58 5.203 -8.037 -7.361 1.00 0.33 H new ATOM 849 N ALA A 59 5.704 -6.984 -4.842 1.00 0.22 N ATOM 850 CA ALA A 59 6.737 -6.419 -3.986 1.00 0.18 C ATOM 851 C ALA A 59 6.092 -5.816 -2.748 1.00 0.21 C ATOM 852 O ALA A 59 6.642 -5.838 -1.647 1.00 0.26 O ATOM 853 CB ALA A 59 7.523 -5.388 -4.803 1.00 0.16 C ATOM 0 H ALA A 59 5.510 -6.418 -5.668 1.00 0.22 H new ATOM 0 HA ALA A 59 7.434 -7.183 -3.642 1.00 0.18 H new ATOM 0 HB1 ALA A 59 8.304 -4.950 -4.181 1.00 0.16 H new ATOM 0 HB2 ALA A 59 7.977 -5.876 -5.665 1.00 0.16 H new ATOM 0 HB3 ALA A 59 6.848 -4.603 -5.144 1.00 0.16 H new ATOM 859 N ILE A 60 4.913 -5.243 -2.968 1.00 0.22 N ATOM 860 CA ILE A 60 4.190 -4.517 -1.965 1.00 0.24 C ATOM 861 C ILE A 60 3.769 -5.452 -0.838 1.00 0.25 C ATOM 862 O ILE A 60 4.169 -5.197 0.290 1.00 0.28 O ATOM 863 CB ILE A 60 3.108 -3.674 -2.666 1.00 0.29 C ATOM 864 CG1 ILE A 60 3.693 -2.271 -2.861 1.00 0.39 C ATOM 865 CG2 ILE A 60 1.766 -3.615 -1.935 1.00 0.30 C ATOM 866 CD1 ILE A 60 3.186 -1.537 -4.096 1.00 0.58 C ATOM 0 H ILE A 60 4.436 -5.279 -3.869 1.00 0.22 H new ATOM 0 HA ILE A 60 4.797 -3.784 -1.434 1.00 0.24 H new ATOM 0 HB ILE A 60 2.865 -4.153 -3.615 1.00 0.29 H new ATOM 0 HG12 ILE A 60 3.466 -1.671 -1.980 1.00 0.39 H new ATOM 0 HG13 ILE A 60 4.778 -2.350 -2.922 1.00 0.39 H new ATOM 0 HG21 ILE A 60 1.069 -3.000 -2.504 1.00 0.30 H new ATOM 0 HG22 ILE A 60 1.362 -4.622 -1.834 1.00 0.30 H new ATOM 0 HG23 ILE A 60 1.909 -3.181 -0.946 1.00 0.30 H new ATOM 0 HD11 ILE A 60 3.653 -0.554 -4.152 1.00 0.58 H new ATOM 0 HD12 ILE A 60 3.437 -2.110 -4.989 1.00 0.58 H new ATOM 0 HD13 ILE A 60 2.104 -1.421 -4.032 1.00 0.58 H new ATOM 878 N GLN A 61 3.052 -6.550 -1.098 1.00 0.26 N ATOM 879 CA GLN A 61 2.687 -7.499 -0.047 1.00 0.30 C ATOM 880 C GLN A 61 3.901 -7.894 0.790 1.00 0.28 C ATOM 881 O GLN A 61 3.829 -7.827 2.009 1.00 0.28 O ATOM 882 CB GLN A 61 2.031 -8.771 -0.591 1.00 0.34 C ATOM 883 CG GLN A 61 0.503 -8.768 -0.525 1.00 0.50 C ATOM 884 CD GLN A 61 -0.126 -8.258 -1.805 1.00 0.47 C ATOM 885 OE1 GLN A 61 -0.762 -9.015 -2.530 1.00 0.84 O ATOM 886 NE2 GLN A 61 0.071 -6.984 -2.107 1.00 0.33 N ATOM 0 H GLN A 61 2.714 -6.801 -2.027 1.00 0.26 H new ATOM 0 HA GLN A 61 1.958 -6.978 0.574 1.00 0.30 H new ATOM 0 HB2 GLN A 61 2.338 -8.909 -1.628 1.00 0.34 H new ATOM 0 HB3 GLN A 61 2.406 -9.627 -0.030 1.00 0.34 H new ATOM 0 HG2 GLN A 61 0.148 -9.779 -0.326 1.00 0.50 H new ATOM 0 HG3 GLN A 61 0.179 -8.146 0.310 1.00 0.50 H new ATOM 0 HE21 GLN A 61 0.606 -6.387 -1.476 1.00 0.33 H new ATOM 0 HE22 GLN A 61 -0.313 -6.599 -2.970 1.00 0.33 H new ATOM 895 N GLU A 62 5.002 -8.289 0.144 1.00 0.29 N ATOM 896 CA GLU A 62 6.278 -8.515 0.814 1.00 0.35 C ATOM 897 C GLU A 62 6.564 -7.492 1.904 1.00 0.33 C ATOM 898 O GLU A 62 6.800 -7.825 3.070 1.00 0.37 O ATOM 899 CB GLU A 62 7.406 -8.522 -0.238 1.00 0.46 C ATOM 900 CG GLU A 62 8.451 -9.619 -0.041 1.00 0.69 C ATOM 901 CD GLU A 62 9.427 -9.237 1.072 1.00 1.48 C ATOM 902 OE1 GLU A 62 10.182 -8.260 0.858 1.00 2.72 O ATOM 903 OE2 GLU A 62 9.389 -9.886 2.141 1.00 2.22 O ATOM 0 H GLU A 62 5.029 -8.460 -0.861 1.00 0.29 H new ATOM 0 HA GLU A 62 6.226 -9.482 1.314 1.00 0.35 H new ATOM 0 HB2 GLU A 62 6.962 -8.634 -1.227 1.00 0.46 H new ATOM 0 HB3 GLU A 62 7.907 -7.554 -0.221 1.00 0.46 H new ATOM 0 HG2 GLU A 62 7.958 -10.559 0.207 1.00 0.69 H new ATOM 0 HG3 GLU A 62 8.996 -9.781 -0.971 1.00 0.69 H new ATOM 910 N LYS A 63 6.569 -6.223 1.513 1.00 0.31 N ATOM 911 CA LYS A 63 6.902 -5.178 2.443 1.00 0.31 C ATOM 912 C LYS A 63 5.763 -4.996 3.449 1.00 0.28 C ATOM 913 O LYS A 63 6.034 -4.858 4.633 1.00 0.30 O ATOM 914 CB LYS A 63 7.271 -3.932 1.640 1.00 0.26 C ATOM 915 CG LYS A 63 8.797 -3.743 1.657 1.00 0.28 C ATOM 916 CD LYS A 63 9.456 -4.945 0.952 1.00 0.43 C ATOM 917 CE LYS A 63 10.987 -4.890 0.937 1.00 1.38 C ATOM 918 NZ LYS A 63 11.544 -6.111 0.312 1.00 2.13 N ATOM 0 H LYS A 63 6.348 -5.906 0.569 1.00 0.31 H new ATOM 0 HA LYS A 63 7.771 -5.424 3.053 1.00 0.31 H new ATOM 0 HB2 LYS A 63 6.918 -4.030 0.614 1.00 0.26 H new ATOM 0 HB3 LYS A 63 6.781 -3.055 2.063 1.00 0.26 H new ATOM 0 HG2 LYS A 63 9.068 -2.815 1.153 1.00 0.28 H new ATOM 0 HG3 LYS A 63 9.156 -3.665 2.683 1.00 0.28 H new ATOM 0 HD2 LYS A 63 9.140 -5.863 1.447 1.00 0.43 H new ATOM 0 HD3 LYS A 63 9.093 -4.996 -0.075 1.00 0.43 H new ATOM 0 HE2 LYS A 63 11.320 -4.009 0.388 1.00 1.38 H new ATOM 0 HE3 LYS A 63 11.363 -4.792 1.955 1.00 1.38 H new ATOM 0 HZ1 LYS A 63 12.577 -6.121 0.431 1.00 2.13 H new ATOM 0 HZ2 LYS A 63 11.135 -6.952 0.767 1.00 2.13 H new ATOM 0 HZ3 LYS A 63 11.312 -6.119 -0.702 1.00 2.13 H new ATOM 932 N ILE A 64 4.499 -5.034 3.022 1.00 0.25 N ATOM 933 CA ILE A 64 3.360 -4.891 3.909 1.00 0.24 C ATOM 934 C ILE A 64 3.429 -5.934 5.049 1.00 0.22 C ATOM 935 O ILE A 64 3.246 -5.595 6.221 1.00 0.24 O ATOM 936 CB ILE A 64 2.045 -4.971 3.115 1.00 0.24 C ATOM 937 CG1 ILE A 64 1.833 -3.843 2.097 1.00 0.28 C ATOM 938 CG2 ILE A 64 0.884 -4.949 4.109 1.00 0.28 C ATOM 939 CD1 ILE A 64 1.699 -2.472 2.743 1.00 0.44 C ATOM 0 H ILE A 64 4.243 -5.166 2.043 1.00 0.25 H new ATOM 0 HA ILE A 64 3.390 -3.906 4.375 1.00 0.24 H new ATOM 0 HB ILE A 64 2.094 -5.893 2.536 1.00 0.24 H new ATOM 0 HG12 ILE A 64 2.671 -3.829 1.400 1.00 0.28 H new ATOM 0 HG13 ILE A 64 0.936 -4.052 1.514 1.00 0.28 H new ATOM 0 HG21 ILE A 64 -0.060 -5.005 3.567 1.00 0.28 H new ATOM 0 HG22 ILE A 64 0.966 -5.801 4.783 1.00 0.28 H new ATOM 0 HG23 ILE A 64 0.917 -4.025 4.686 1.00 0.28 H new ATOM 0 HD11 ILE A 64 1.551 -1.718 1.970 1.00 0.44 H new ATOM 0 HD12 ILE A 64 0.844 -2.470 3.419 1.00 0.44 H new ATOM 0 HD13 ILE A 64 2.606 -2.244 3.304 1.00 0.44 H new ATOM 951 N GLU A 65 3.739 -7.190 4.701 1.00 0.20 N ATOM 952 CA GLU A 65 4.000 -8.267 5.644 1.00 0.22 C ATOM 953 C GLU A 65 5.061 -7.813 6.646 1.00 0.26 C ATOM 954 O GLU A 65 4.839 -7.834 7.853 1.00 0.29 O ATOM 955 CB GLU A 65 4.431 -9.514 4.858 1.00 0.23 C ATOM 956 CG GLU A 65 3.231 -10.303 4.312 1.00 0.25 C ATOM 957 CD GLU A 65 2.790 -11.428 5.244 1.00 0.45 C ATOM 958 OE1 GLU A 65 3.002 -11.282 6.467 1.00 1.29 O ATOM 959 OE2 GLU A 65 2.268 -12.428 4.707 1.00 1.64 O ATOM 0 H GLU A 65 3.815 -7.485 3.728 1.00 0.20 H new ATOM 0 HA GLU A 65 3.105 -8.521 6.212 1.00 0.22 H new ATOM 0 HB2 GLU A 65 5.073 -9.215 4.030 1.00 0.23 H new ATOM 0 HB3 GLU A 65 5.025 -10.161 5.504 1.00 0.23 H new ATOM 0 HG2 GLU A 65 2.396 -9.621 4.152 1.00 0.25 H new ATOM 0 HG3 GLU A 65 3.490 -10.723 3.340 1.00 0.25 H new ATOM 966 N LYS A 66 6.212 -7.354 6.147 1.00 0.30 N ATOM 967 CA LYS A 66 7.307 -6.896 6.997 1.00 0.34 C ATOM 968 C LYS A 66 6.884 -5.757 7.937 1.00 0.40 C ATOM 969 O LYS A 66 7.204 -5.782 9.122 1.00 0.56 O ATOM 970 CB LYS A 66 8.495 -6.464 6.125 1.00 0.33 C ATOM 971 CG LYS A 66 9.828 -7.055 6.616 1.00 0.60 C ATOM 972 CD LYS A 66 10.281 -8.242 5.753 1.00 1.49 C ATOM 973 CE LYS A 66 9.293 -9.422 5.770 1.00 2.48 C ATOM 974 NZ LYS A 66 9.563 -10.387 4.682 1.00 4.13 N ATOM 0 H LYS A 66 6.408 -7.291 5.148 1.00 0.30 H new ATOM 0 HA LYS A 66 7.604 -7.731 7.631 1.00 0.34 H new ATOM 0 HB2 LYS A 66 8.319 -6.776 5.096 1.00 0.33 H new ATOM 0 HB3 LYS A 66 8.563 -5.376 6.121 1.00 0.33 H new ATOM 0 HG2 LYS A 66 10.596 -6.281 6.601 1.00 0.60 H new ATOM 0 HG3 LYS A 66 9.722 -7.379 7.651 1.00 0.60 H new ATOM 0 HD2 LYS A 66 10.415 -7.904 4.725 1.00 1.49 H new ATOM 0 HD3 LYS A 66 11.254 -8.587 6.104 1.00 1.49 H new ATOM 0 HE2 LYS A 66 9.355 -9.933 6.731 1.00 2.48 H new ATOM 0 HE3 LYS A 66 8.275 -9.044 5.675 1.00 2.48 H new ATOM 0 HZ1 LYS A 66 8.766 -11.050 4.600 1.00 4.13 H new ATOM 0 HZ2 LYS A 66 9.680 -9.875 3.785 1.00 4.13 H new ATOM 0 HZ3 LYS A 66 10.433 -10.916 4.895 1.00 4.13 H new ATOM 988 N LEU A 67 6.172 -4.758 7.406 1.00 0.39 N ATOM 989 CA LEU A 67 5.552 -3.671 8.143 1.00 0.41 C ATOM 990 C LEU A 67 4.618 -4.190 9.246 1.00 0.33 C ATOM 991 O LEU A 67 4.320 -3.449 10.181 1.00 0.33 O ATOM 992 CB LEU A 67 4.822 -2.761 7.139 1.00 0.45 C ATOM 993 CG LEU A 67 5.734 -1.750 6.417 1.00 0.66 C ATOM 994 CD1 LEU A 67 7.168 -2.173 6.063 1.00 2.37 C ATOM 995 CD2 LEU A 67 5.050 -1.271 5.132 1.00 1.44 C ATOM 0 H LEU A 67 6.009 -4.689 6.401 1.00 0.39 H new ATOM 0 HA LEU A 67 6.318 -3.092 8.659 1.00 0.41 H new ATOM 0 HB2 LEU A 67 4.329 -3.385 6.393 1.00 0.45 H new ATOM 0 HB3 LEU A 67 4.039 -2.215 7.665 1.00 0.45 H new ATOM 0 HG LEU A 67 5.865 -0.973 7.171 1.00 0.66 H new ATOM 0 HD11 LEU A 67 7.676 -1.350 5.560 1.00 2.37 H new ATOM 0 HD12 LEU A 67 7.707 -2.429 6.975 1.00 2.37 H new ATOM 0 HD13 LEU A 67 7.139 -3.040 5.403 1.00 2.37 H new ATOM 0 HD21 LEU A 67 5.695 -0.556 4.621 1.00 1.44 H new ATOM 0 HD22 LEU A 67 4.865 -2.124 4.479 1.00 1.44 H new ATOM 0 HD23 LEU A 67 4.103 -0.792 5.381 1.00 1.44 H new ATOM 1007 N GLY A 68 4.176 -5.449 9.161 1.00 0.30 N ATOM 1008 CA GLY A 68 3.477 -6.146 10.227 1.00 0.31 C ATOM 1009 C GLY A 68 1.981 -6.208 9.960 1.00 0.33 C ATOM 1010 O GLY A 68 1.200 -6.311 10.904 1.00 0.44 O ATOM 0 H GLY A 68 4.301 -6.019 8.325 1.00 0.30 H new ATOM 0 HA2 GLY A 68 3.873 -7.157 10.324 1.00 0.31 H new ATOM 0 HA3 GLY A 68 3.658 -5.640 11.175 1.00 0.31 H new ATOM 1014 N TYR A 69 1.571 -6.129 8.689 1.00 0.28 N ATOM 1015 CA TYR A 69 0.165 -6.165 8.311 1.00 0.33 C ATOM 1016 C TYR A 69 0.013 -7.019 7.063 1.00 0.32 C ATOM 1017 O TYR A 69 1.002 -7.455 6.488 1.00 0.35 O ATOM 1018 CB TYR A 69 -0.339 -4.741 8.066 1.00 0.33 C ATOM 1019 CG TYR A 69 -0.206 -3.839 9.272 1.00 0.39 C ATOM 1020 CD1 TYR A 69 1.019 -3.205 9.538 1.00 1.86 C ATOM 1021 CD2 TYR A 69 -1.326 -3.552 10.071 1.00 2.05 C ATOM 1022 CE1 TYR A 69 1.130 -2.307 10.610 1.00 1.80 C ATOM 1023 CE2 TYR A 69 -1.233 -2.605 11.105 1.00 2.17 C ATOM 1024 CZ TYR A 69 0.002 -1.997 11.389 1.00 0.61 C ATOM 1025 OH TYR A 69 0.093 -1.067 12.383 1.00 0.78 O ATOM 0 H TYR A 69 2.209 -6.038 7.898 1.00 0.28 H new ATOM 0 HA TYR A 69 -0.430 -6.602 9.113 1.00 0.33 H new ATOM 0 HB2 TYR A 69 0.215 -4.306 7.234 1.00 0.33 H new ATOM 0 HB3 TYR A 69 -1.386 -4.781 7.766 1.00 0.33 H new ATOM 0 HD1 TYR A 69 1.878 -3.409 8.916 1.00 1.86 H new ATOM 0 HD2 TYR A 69 -2.261 -4.061 9.890 1.00 2.05 H new ATOM 0 HE1 TYR A 69 2.083 -1.853 10.837 1.00 1.80 H new ATOM 0 HE2 TYR A 69 -2.109 -2.345 11.681 1.00 2.17 H new ATOM 0 HH TYR A 69 -0.778 -0.972 12.823 1.00 0.78 H new ATOM 1035 N HIS A 70 -1.222 -7.244 6.621 1.00 0.42 N ATOM 1036 CA HIS A 70 -1.494 -7.969 5.396 1.00 0.48 C ATOM 1037 C HIS A 70 -2.489 -7.131 4.610 1.00 0.42 C ATOM 1038 O HIS A 70 -3.565 -6.808 5.116 1.00 0.45 O ATOM 1039 CB HIS A 70 -1.974 -9.393 5.721 1.00 0.66 C ATOM 1040 CG HIS A 70 -3.247 -9.833 5.042 1.00 1.85 C ATOM 1041 ND1 HIS A 70 -3.504 -9.842 3.687 1.00 3.47 N ATOM 1042 CD2 HIS A 70 -4.400 -10.200 5.679 1.00 2.13 C ATOM 1043 CE1 HIS A 70 -4.786 -10.209 3.526 1.00 4.29 C ATOM 1044 NE2 HIS A 70 -5.378 -10.431 4.712 1.00 3.48 N ATOM 0 H HIS A 70 -2.060 -6.925 7.108 1.00 0.42 H new ATOM 0 HA HIS A 70 -0.606 -8.112 4.781 1.00 0.48 H new ATOM 0 HB2 HIS A 70 -1.182 -10.092 5.452 1.00 0.66 H new ATOM 0 HB3 HIS A 70 -2.115 -9.470 6.799 1.00 0.66 H new ATOM 0 HD1 HIS A 70 -2.843 -9.613 2.945 1.00 3.47 H new ATOM 0 HD2 HIS A 70 -4.531 -10.295 6.747 1.00 2.13 H new ATOM 0 HE1 HIS A 70 -5.277 -10.312 2.569 1.00 4.29 H new ATOM 1052 N VAL A 71 -2.119 -6.776 3.381 1.00 0.46 N ATOM 1053 CA VAL A 71 -3.049 -6.154 2.448 1.00 0.41 C ATOM 1054 C VAL A 71 -3.789 -7.249 1.668 1.00 0.46 C ATOM 1055 O VAL A 71 -3.197 -8.300 1.407 1.00 0.61 O ATOM 1056 CB VAL A 71 -2.300 -5.136 1.571 1.00 0.46 C ATOM 1057 CG1 VAL A 71 -1.583 -5.755 0.374 1.00 0.73 C ATOM 1058 CG2 VAL A 71 -3.263 -4.076 1.074 1.00 0.57 C ATOM 0 H VAL A 71 -1.178 -6.910 3.010 1.00 0.46 H new ATOM 0 HA VAL A 71 -3.816 -5.583 2.971 1.00 0.41 H new ATOM 0 HB VAL A 71 -1.531 -4.702 2.210 1.00 0.46 H new ATOM 0 HG11 VAL A 71 -1.080 -4.972 -0.193 1.00 0.73 H new ATOM 0 HG12 VAL A 71 -0.847 -6.479 0.725 1.00 0.73 H new ATOM 0 HG13 VAL A 71 -2.309 -6.257 -0.266 1.00 0.73 H new ATOM 0 HG21 VAL A 71 -2.726 -3.359 0.454 1.00 0.57 H new ATOM 0 HG22 VAL A 71 -4.050 -4.547 0.485 1.00 0.57 H new ATOM 0 HG23 VAL A 71 -3.706 -3.559 1.925 1.00 0.57 H new ATOM 1068 N VAL A 72 -5.066 -7.036 1.326 1.00 0.36 N ATOM 1069 CA VAL A 72 -5.778 -7.909 0.378 1.00 0.55 C ATOM 1070 C VAL A 72 -5.612 -7.347 -1.033 1.00 0.83 C ATOM 1071 O VAL A 72 -5.205 -6.201 -1.189 1.00 1.46 O ATOM 1072 CB VAL A 72 -7.287 -8.059 0.693 1.00 0.86 C ATOM 1073 CG1 VAL A 72 -7.636 -9.300 1.509 1.00 1.10 C ATOM 1074 CG2 VAL A 72 -7.895 -6.857 1.403 1.00 1.01 C ATOM 0 H VAL A 72 -5.629 -6.267 1.690 1.00 0.36 H new ATOM 0 HA VAL A 72 -5.339 -8.903 0.466 1.00 0.55 H new ATOM 0 HB VAL A 72 -7.719 -8.150 -0.303 1.00 0.86 H new ATOM 0 HG11 VAL A 72 -8.711 -9.329 1.685 1.00 1.10 H new ATOM 0 HG12 VAL A 72 -7.334 -10.193 0.961 1.00 1.10 H new ATOM 0 HG13 VAL A 72 -7.112 -9.266 2.464 1.00 1.10 H new ATOM 0 HG21 VAL A 72 -8.953 -7.041 1.588 1.00 1.01 H new ATOM 0 HG22 VAL A 72 -7.383 -6.698 2.352 1.00 1.01 H new ATOM 0 HG23 VAL A 72 -7.784 -5.971 0.778 1.00 1.01 H new ATOM 1084 N ILE A 73 -5.958 -8.140 -2.053 1.00 0.61 N ATOM 1085 CA ILE A 73 -6.088 -7.705 -3.436 1.00 0.70 C ATOM 1086 C ILE A 73 -7.471 -8.132 -3.922 1.00 0.81 C ATOM 1087 O ILE A 73 -7.641 -9.227 -4.451 1.00 0.94 O ATOM 1088 CB ILE A 73 -4.964 -8.323 -4.287 1.00 0.84 C ATOM 1089 CG1 ILE A 73 -3.573 -8.006 -3.715 1.00 1.10 C ATOM 1090 CG2 ILE A 73 -5.058 -7.872 -5.753 1.00 0.99 C ATOM 1091 CD1 ILE A 73 -3.211 -6.522 -3.812 1.00 0.66 C ATOM 0 H ILE A 73 -6.160 -9.132 -1.928 1.00 0.61 H new ATOM 0 HA ILE A 73 -5.993 -6.623 -3.523 1.00 0.70 H new ATOM 0 HB ILE A 73 -5.100 -9.404 -4.252 1.00 0.84 H new ATOM 0 HG12 ILE A 73 -3.536 -8.316 -2.671 1.00 1.10 H new ATOM 0 HG13 ILE A 73 -2.825 -8.593 -4.248 1.00 1.10 H new ATOM 0 HG21 ILE A 73 -4.250 -8.326 -6.326 1.00 0.99 H new ATOM 0 HG22 ILE A 73 -6.017 -8.183 -6.168 1.00 0.99 H new ATOM 0 HG23 ILE A 73 -4.974 -6.786 -5.806 1.00 0.99 H new ATOM 0 HD11 ILE A 73 -2.218 -6.362 -3.392 1.00 0.66 H new ATOM 0 HD12 ILE A 73 -3.217 -6.214 -4.857 1.00 0.66 H new ATOM 0 HD13 ILE A 73 -3.940 -5.933 -3.256 1.00 0.66 H new ATOM 1103 N GLU A 74 -8.455 -7.257 -3.719 1.00 1.10 N ATOM 1104 CA GLU A 74 -9.822 -7.434 -4.178 1.00 1.39 C ATOM 1105 C GLU A 74 -10.353 -6.037 -4.496 1.00 1.84 C ATOM 1106 O GLU A 74 -10.870 -5.360 -3.611 1.00 2.08 O ATOM 1107 CB GLU A 74 -10.647 -8.173 -3.101 1.00 1.65 C ATOM 1108 CG GLU A 74 -11.143 -9.531 -3.615 1.00 2.51 C ATOM 1109 CD GLU A 74 -11.868 -10.307 -2.523 1.00 3.27 C ATOM 1110 OE1 GLU A 74 -12.963 -9.845 -2.136 1.00 3.88 O ATOM 1111 OE2 GLU A 74 -11.315 -11.344 -2.097 1.00 4.20 O ATOM 0 H GLU A 74 -8.313 -6.381 -3.215 1.00 1.10 H new ATOM 0 HA GLU A 74 -9.888 -8.054 -5.072 1.00 1.39 H new ATOM 0 HB2 GLU A 74 -10.037 -8.320 -2.209 1.00 1.65 H new ATOM 0 HB3 GLU A 74 -11.499 -7.559 -2.807 1.00 1.65 H new ATOM 0 HG2 GLU A 74 -11.813 -9.379 -4.461 1.00 2.51 H new ATOM 0 HG3 GLU A 74 -10.298 -10.115 -3.979 1.00 2.51 H new ATOM 1118 N GLY A 75 -10.160 -5.569 -5.732 1.00 2.77 N ATOM 1119 CA GLY A 75 -10.610 -4.244 -6.140 1.00 3.64 C ATOM 1120 C GLY A 75 -10.092 -3.877 -7.529 1.00 4.05 C ATOM 1121 O GLY A 75 -9.554 -2.788 -7.720 1.00 5.61 O ATOM 0 H GLY A 75 -9.691 -6.096 -6.469 1.00 2.77 H new ATOM 0 HA2 GLY A 75 -11.700 -4.212 -6.137 1.00 3.64 H new ATOM 0 HA3 GLY A 75 -10.268 -3.504 -5.416 1.00 3.64 H new ATOM 1125 N ARG A 76 -10.293 -4.781 -8.493 1.00 3.20 N ATOM 1126 CA ARG A 76 -9.689 -4.714 -9.818 1.00 3.77 C ATOM 1127 C ARG A 76 -8.161 -4.736 -9.692 1.00 4.49 C ATOM 1128 O ARG A 76 -7.496 -4.067 -10.514 1.00 5.48 O ATOM 1129 CB ARG A 76 -10.248 -3.521 -10.618 1.00 4.63 C ATOM 1130 CG ARG A 76 -9.970 -3.656 -12.125 1.00 5.51 C ATOM 1131 CD ARG A 76 -11.028 -2.940 -12.972 1.00 6.37 C ATOM 1132 NE ARG A 76 -10.986 -1.480 -12.788 1.00 7.44 N ATOM 1133 CZ ARG A 76 -11.821 -0.621 -13.396 1.00 8.64 C ATOM 1134 NH1 ARG A 76 -12.825 -1.093 -14.145 1.00 8.89 N ATOM 1135 NH2 ARG A 76 -11.649 0.699 -13.266 1.00 9.94 N ATOM 1136 OXT ARG A 76 -7.690 -5.452 -8.781 1.00 4.83 O ATOM 0 H ARG A 76 -10.894 -5.595 -8.366 1.00 3.20 H new ATOM 0 HA ARG A 76 -9.960 -5.595 -10.401 1.00 3.77 H new ATOM 0 HB2 ARG A 76 -11.323 -3.446 -10.453 1.00 4.63 H new ATOM 0 HB3 ARG A 76 -9.803 -2.597 -10.249 1.00 4.63 H new ATOM 0 HG2 ARG A 76 -8.986 -3.244 -12.350 1.00 5.51 H new ATOM 0 HG3 ARG A 76 -9.943 -4.712 -12.395 1.00 5.51 H new ATOM 0 HD2 ARG A 76 -10.872 -3.177 -14.024 1.00 6.37 H new ATOM 0 HD3 ARG A 76 -12.018 -3.311 -12.705 1.00 6.37 H new ATOM 0 HE ARG A 76 -10.279 -1.097 -12.160 1.00 7.44 H new ATOM 0 HH11 ARG A 76 -12.952 -2.099 -14.251 1.00 8.89 H new ATOM 0 HH12 ARG A 76 -13.463 -0.446 -14.609 1.00 8.89 H new ATOM 0 HH21 ARG A 76 -10.880 1.060 -12.702 1.00 9.94 H new ATOM 0 HH22 ARG A 76 -12.287 1.345 -13.731 1.00 9.94 H new TER 1150 ARG A 76