USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 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 Single : A 1 ALA N :NH3+ -164:sc= -0.0148 (180deg=-0.294) USER MOD Single : A 3 GLN : amide:sc= -0.143 K(o=-0.14,f=-0.93) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -4.13! C(o=-4.1!,f=-6.2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -149:sc= -0.921 (180deg=-1.6!) USER MOD Single : A 26 THR OG1 : rot 31:sc= 0.34 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0561 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 71:sc= 1.22 USER MOD Single : A 36 MET CE :methyl -121:sc= -0.238 (180deg=-4.74!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.0131 K(o=0.013,f=-2!) USER MOD Single : A 42 ASN : amide:sc= -2.64! K(o=-2.6!,f=-0.92) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.241 K(o=-0.24,f=-2.3!) USER MOD Single : A 62 THR OG1 : rot -24:sc= -0.244! USER MOD Single : A 70 THR OG1 : rot 98:sc= 1.17 USER MOD Single : A 71 MET CE :methyl -175:sc= -0.949 (180deg=-1.05) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -148:sc= -0.202 (180deg=-0.92) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.052 6.710 -0.201 1.00 4.58 N ATOM 2 CA ALA A 1 -17.006 7.324 0.599 1.00 4.62 C ATOM 3 C ALA A 1 -17.461 7.394 2.058 1.00 3.98 C ATOM 4 O ALA A 1 -16.670 7.159 2.970 1.00 4.64 O ATOM 5 CB ALA A 1 -16.667 8.701 0.026 1.00 5.69 C ATOM 0 H1 ALA A 1 -17.659 6.413 -1.117 1.00 4.58 H new ATOM 0 H2 ALA A 1 -18.429 5.880 0.299 1.00 4.58 H new ATOM 0 H3 ALA A 1 -18.817 7.397 -0.358 1.00 4.58 H new ATOM 0 HA ALA A 1 -16.096 6.725 0.566 1.00 4.62 H new ATOM 0 HB1 ALA A 1 -15.882 9.162 0.626 1.00 5.69 H new ATOM 0 HB2 ALA A 1 -16.321 8.592 -1.002 1.00 5.69 H new ATOM 0 HB3 ALA A 1 -17.556 9.332 0.045 1.00 5.69 H new ATOM 11 N ASP A 2 -18.733 7.720 2.233 1.00 3.69 N ATOM 12 CA ASP A 2 -19.302 7.825 3.566 1.00 3.92 C ATOM 13 C ASP A 2 -19.299 6.445 4.227 1.00 2.89 C ATOM 14 O ASP A 2 -19.550 6.326 5.425 1.00 3.80 O ATOM 15 CB ASP A 2 -20.749 8.318 3.509 1.00 4.74 C ATOM 16 CG ASP A 2 -20.951 9.777 3.923 1.00 6.36 C ATOM 17 OD1 ASP A 2 -20.836 10.642 3.027 1.00 6.87 O ATOM 18 OD2 ASP A 2 -21.216 9.995 5.125 1.00 7.48 O ATOM 0 H ASP A 2 -19.386 7.915 1.474 1.00 3.69 H new ATOM 0 HA ASP A 2 -18.701 8.534 4.135 1.00 3.92 H new ATOM 0 HB2 ASP A 2 -21.121 8.189 2.493 1.00 4.74 H new ATOM 0 HB3 ASP A 2 -21.358 7.685 4.154 1.00 4.74 H new ATOM 23 N GLN A 3 -19.011 5.437 3.417 1.00 1.61 N ATOM 24 CA GLN A 3 -18.971 4.070 3.908 1.00 1.69 C ATOM 25 C GLN A 3 -17.708 3.841 4.740 1.00 1.49 C ATOM 26 O GLN A 3 -17.693 2.996 5.634 1.00 2.54 O ATOM 27 CB GLN A 3 -19.056 3.069 2.754 1.00 2.49 C ATOM 28 CG GLN A 3 -20.254 2.133 2.926 1.00 3.40 C ATOM 29 CD GLN A 3 -19.802 0.744 3.381 1.00 4.72 C ATOM 30 OE1 GLN A 3 -18.773 0.232 2.973 1.00 5.42 O ATOM 31 NE2 GLN A 3 -20.628 0.164 4.248 1.00 5.60 N ATOM 0 H GLN A 3 -18.803 5.540 2.424 1.00 1.61 H new ATOM 0 HA GLN A 3 -19.838 3.910 4.548 1.00 1.69 H new ATOM 0 HB2 GLN A 3 -19.142 3.605 1.809 1.00 2.49 H new ATOM 0 HB3 GLN A 3 -18.137 2.484 2.707 1.00 2.49 H new ATOM 0 HG2 GLN A 3 -20.946 2.552 3.657 1.00 3.40 H new ATOM 0 HG3 GLN A 3 -20.796 2.053 1.984 1.00 3.40 H new ATOM 0 HE21 GLN A 3 -21.474 0.648 4.549 1.00 5.60 H new ATOM 0 HE22 GLN A 3 -20.415 -0.765 4.612 1.00 5.60 H new ATOM 40 N LEU A 4 -16.678 4.610 4.418 1.00 0.78 N ATOM 41 CA LEU A 4 -15.413 4.502 5.125 1.00 0.55 C ATOM 42 C LEU A 4 -14.312 5.162 4.293 1.00 0.52 C ATOM 43 O LEU A 4 -13.494 5.913 4.823 1.00 0.73 O ATOM 44 CB LEU A 4 -15.123 3.043 5.484 1.00 0.80 C ATOM 45 CG LEU A 4 -13.648 2.637 5.497 1.00 0.82 C ATOM 46 CD1 LEU A 4 -13.052 2.692 4.089 1.00 1.71 C ATOM 47 CD2 LEU A 4 -12.854 3.487 6.490 1.00 2.52 C ATOM 0 H LEU A 4 -16.694 5.311 3.677 1.00 0.78 H new ATOM 0 HA LEU A 4 -15.459 5.036 6.074 1.00 0.55 H new ATOM 0 HB2 LEU A 4 -15.544 2.841 6.469 1.00 0.80 H new ATOM 0 HB3 LEU A 4 -15.649 2.403 4.775 1.00 0.80 H new ATOM 0 HG LEU A 4 -13.581 1.603 5.834 1.00 0.82 H new ATOM 0 HD11 LEU A 4 -12.003 2.399 4.126 1.00 1.71 H new ATOM 0 HD12 LEU A 4 -13.596 2.009 3.437 1.00 1.71 H new ATOM 0 HD13 LEU A 4 -13.132 3.707 3.700 1.00 1.71 H new ATOM 0 HD21 LEU A 4 -11.809 3.178 6.479 1.00 2.52 H new ATOM 0 HD22 LEU A 4 -12.925 4.537 6.208 1.00 2.52 H new ATOM 0 HD23 LEU A 4 -13.262 3.352 7.492 1.00 2.52 H new ATOM 59 N THR A 5 -14.325 4.857 3.004 1.00 0.55 N ATOM 60 CA THR A 5 -13.337 5.411 2.093 1.00 0.61 C ATOM 61 C THR A 5 -13.148 6.906 2.357 1.00 0.56 C ATOM 62 O THR A 5 -12.089 7.462 2.070 1.00 0.50 O ATOM 63 CB THR A 5 -13.783 5.097 0.664 1.00 0.78 C ATOM 64 OG1 THR A 5 -13.242 3.804 0.407 1.00 1.69 O ATOM 65 CG2 THR A 5 -13.105 5.997 -0.372 1.00 1.63 C ATOM 0 H THR A 5 -15.004 4.233 2.568 1.00 0.55 H new ATOM 0 HA THR A 5 -12.357 4.959 2.249 1.00 0.61 H new ATOM 0 HB THR A 5 -14.865 5.208 0.589 1.00 0.78 H new ATOM 0 HG1 THR A 5 -13.485 3.522 -0.499 1.00 1.69 H new ATOM 0 HG21 THR A 5 -13.456 5.733 -1.369 1.00 1.63 H new ATOM 0 HG22 THR A 5 -13.350 7.039 -0.165 1.00 1.63 H new ATOM 0 HG23 THR A 5 -12.025 5.862 -0.320 1.00 1.63 H new ATOM 73 N GLU A 6 -14.192 7.515 2.900 1.00 0.66 N ATOM 74 CA GLU A 6 -14.154 8.935 3.206 1.00 0.70 C ATOM 75 C GLU A 6 -13.032 9.234 4.202 1.00 0.63 C ATOM 76 O GLU A 6 -12.145 10.038 3.920 1.00 0.60 O ATOM 77 CB GLU A 6 -15.505 9.417 3.740 1.00 0.89 C ATOM 78 CG GLU A 6 -15.428 10.879 4.185 1.00 1.36 C ATOM 79 CD GLU A 6 -16.811 11.533 4.160 1.00 1.82 C ATOM 80 OE1 GLU A 6 -17.534 11.291 3.170 1.00 2.20 O ATOM 81 OE2 GLU A 6 -17.113 12.259 5.131 1.00 2.96 O ATOM 0 H GLU A 6 -15.069 7.051 3.136 1.00 0.66 H new ATOM 0 HA GLU A 6 -13.949 9.480 2.285 1.00 0.70 H new ATOM 0 HB2 GLU A 6 -16.266 9.308 2.967 1.00 0.89 H new ATOM 0 HB3 GLU A 6 -15.812 8.793 4.579 1.00 0.89 H new ATOM 0 HG2 GLU A 6 -15.013 10.935 5.191 1.00 1.36 H new ATOM 0 HG3 GLU A 6 -14.751 11.427 3.530 1.00 1.36 H new ATOM 88 N GLU A 7 -13.108 8.571 5.347 1.00 0.67 N ATOM 89 CA GLU A 7 -12.110 8.756 6.386 1.00 0.71 C ATOM 90 C GLU A 7 -10.777 8.140 5.958 1.00 0.62 C ATOM 91 O GLU A 7 -9.715 8.594 6.381 1.00 0.73 O ATOM 92 CB GLU A 7 -12.586 8.164 7.714 1.00 0.87 C ATOM 93 CG GLU A 7 -12.983 6.695 7.549 1.00 1.11 C ATOM 94 CD GLU A 7 -12.763 5.918 8.849 1.00 1.57 C ATOM 95 OE1 GLU A 7 -13.503 6.206 9.814 1.00 2.03 O ATOM 96 OE2 GLU A 7 -11.861 5.053 8.847 1.00 2.71 O ATOM 0 H GLU A 7 -13.845 7.905 5.578 1.00 0.67 H new ATOM 0 HA GLU A 7 -11.962 9.826 6.534 1.00 0.71 H new ATOM 0 HB2 GLU A 7 -11.795 8.249 8.459 1.00 0.87 H new ATOM 0 HB3 GLU A 7 -13.437 8.735 8.086 1.00 0.87 H new ATOM 0 HG2 GLU A 7 -14.030 6.629 7.254 1.00 1.11 H new ATOM 0 HG3 GLU A 7 -12.397 6.244 6.748 1.00 1.11 H new ATOM 103 N GLN A 8 -10.876 7.116 5.123 1.00 0.50 N ATOM 104 CA GLN A 8 -9.690 6.433 4.632 1.00 0.47 C ATOM 105 C GLN A 8 -8.915 7.339 3.674 1.00 0.44 C ATOM 106 O GLN A 8 -7.752 7.656 3.918 1.00 0.52 O ATOM 107 CB GLN A 8 -10.059 5.110 3.958 1.00 0.47 C ATOM 108 CG GLN A 8 -8.809 4.286 3.648 1.00 1.70 C ATOM 109 CD GLN A 8 -8.088 3.877 4.934 1.00 2.12 C ATOM 110 OE1 GLN A 8 -7.530 4.693 5.650 1.00 2.88 O ATOM 111 NE2 GLN A 8 -8.131 2.572 5.187 1.00 2.69 N ATOM 0 H GLN A 8 -11.759 6.743 4.774 1.00 0.50 H new ATOM 0 HA GLN A 8 -9.048 6.203 5.483 1.00 0.47 H new ATOM 0 HB2 GLN A 8 -10.723 4.540 4.607 1.00 0.47 H new ATOM 0 HB3 GLN A 8 -10.607 5.307 3.036 1.00 0.47 H new ATOM 0 HG2 GLN A 8 -9.087 3.396 3.084 1.00 1.70 H new ATOM 0 HG3 GLN A 8 -8.135 4.865 3.017 1.00 1.70 H new ATOM 0 HE21 GLN A 8 -8.615 1.944 4.546 1.00 2.69 H new ATOM 0 HE22 GLN A 8 -7.680 2.199 6.022 1.00 2.69 H new ATOM 120 N ILE A 9 -9.590 7.731 2.603 1.00 0.39 N ATOM 121 CA ILE A 9 -8.979 8.595 1.607 1.00 0.40 C ATOM 122 C ILE A 9 -8.464 9.865 2.287 1.00 0.38 C ATOM 123 O ILE A 9 -7.612 10.564 1.739 1.00 0.52 O ATOM 124 CB ILE A 9 -9.955 8.863 0.460 1.00 0.48 C ATOM 125 CG1 ILE A 9 -11.140 9.707 0.934 1.00 1.99 C ATOM 126 CG2 ILE A 9 -10.407 7.556 -0.193 1.00 2.19 C ATOM 127 CD1 ILE A 9 -11.140 11.080 0.259 1.00 3.36 C ATOM 0 H ILE A 9 -10.555 7.466 2.403 1.00 0.39 H new ATOM 0 HA ILE A 9 -8.118 8.105 1.153 1.00 0.40 H new ATOM 0 HB ILE A 9 -9.434 9.440 -0.304 1.00 0.48 H new ATOM 0 HG12 ILE A 9 -12.073 9.188 0.711 1.00 1.99 H new ATOM 0 HG13 ILE A 9 -11.094 9.830 2.016 1.00 1.99 H new ATOM 0 HG21 ILE A 9 -11.100 7.776 -1.005 1.00 2.19 H new ATOM 0 HG22 ILE A 9 -9.540 7.028 -0.589 1.00 2.19 H new ATOM 0 HG23 ILE A 9 -10.904 6.931 0.549 1.00 2.19 H new ATOM 0 HD11 ILE A 9 -11.992 11.660 0.613 1.00 3.36 H new ATOM 0 HD12 ILE A 9 -10.217 11.606 0.503 1.00 3.36 H new ATOM 0 HD13 ILE A 9 -11.211 10.954 -0.821 1.00 3.36 H new ATOM 139 N ALA A 10 -9.002 10.125 3.469 1.00 0.50 N ATOM 140 CA ALA A 10 -8.607 11.299 4.229 1.00 0.54 C ATOM 141 C ALA A 10 -7.137 11.169 4.633 1.00 0.50 C ATOM 142 O ALA A 10 -6.312 12.003 4.262 1.00 0.50 O ATOM 143 CB ALA A 10 -9.531 11.459 5.438 1.00 0.67 C ATOM 0 H ALA A 10 -9.708 9.543 3.919 1.00 0.50 H new ATOM 0 HA ALA A 10 -8.704 12.199 3.622 1.00 0.54 H new ATOM 0 HB1 ALA A 10 -9.235 12.339 6.008 1.00 0.67 H new ATOM 0 HB2 ALA A 10 -10.560 11.577 5.097 1.00 0.67 H new ATOM 0 HB3 ALA A 10 -9.458 10.575 6.071 1.00 0.67 H new ATOM 149 N GLU A 11 -6.854 10.117 5.386 1.00 0.58 N ATOM 150 CA GLU A 11 -5.497 9.868 5.844 1.00 0.67 C ATOM 151 C GLU A 11 -4.615 9.427 4.674 1.00 0.57 C ATOM 152 O GLU A 11 -3.486 9.895 4.533 1.00 0.59 O ATOM 153 CB GLU A 11 -5.480 8.828 6.966 1.00 0.87 C ATOM 154 CG GLU A 11 -5.258 9.493 8.326 1.00 1.35 C ATOM 155 CD GLU A 11 -5.303 8.460 9.455 1.00 1.82 C ATOM 156 OE1 GLU A 11 -6.428 8.182 9.924 1.00 1.84 O ATOM 157 OE2 GLU A 11 -4.212 7.973 9.823 1.00 3.05 O ATOM 0 H GLU A 11 -7.541 9.427 5.691 1.00 0.58 H new ATOM 0 HA GLU A 11 -5.094 10.797 6.248 1.00 0.67 H new ATOM 0 HB2 GLU A 11 -6.423 8.281 6.974 1.00 0.87 H new ATOM 0 HB3 GLU A 11 -4.691 8.100 6.780 1.00 0.87 H new ATOM 0 HG2 GLU A 11 -4.295 10.003 8.333 1.00 1.35 H new ATOM 0 HG3 GLU A 11 -6.022 10.253 8.492 1.00 1.35 H new ATOM 164 N PHE A 12 -5.163 8.532 3.866 1.00 0.53 N ATOM 165 CA PHE A 12 -4.440 8.023 2.713 1.00 0.50 C ATOM 166 C PHE A 12 -3.855 9.168 1.883 1.00 0.45 C ATOM 167 O PHE A 12 -2.815 9.009 1.246 1.00 0.49 O ATOM 168 CB PHE A 12 -5.447 7.252 1.857 1.00 0.52 C ATOM 169 CG PHE A 12 -5.357 5.732 2.008 1.00 0.73 C ATOM 170 CD1 PHE A 12 -5.622 5.151 3.209 1.00 0.85 C ATOM 171 CD2 PHE A 12 -5.013 4.962 0.941 1.00 1.35 C ATOM 172 CE1 PHE A 12 -5.538 3.740 3.348 1.00 1.10 C ATOM 173 CE2 PHE A 12 -4.929 3.552 1.081 1.00 1.73 C ATOM 174 CZ PHE A 12 -5.193 2.970 2.281 1.00 1.47 C ATOM 0 H PHE A 12 -6.099 8.146 3.987 1.00 0.53 H new ATOM 0 HA PHE A 12 -3.616 7.390 3.041 1.00 0.50 H new ATOM 0 HB2 PHE A 12 -6.454 7.574 2.121 1.00 0.52 H new ATOM 0 HB3 PHE A 12 -5.293 7.513 0.810 1.00 0.52 H new ATOM 0 HD1 PHE A 12 -5.896 5.762 4.056 1.00 0.85 H new ATOM 0 HD2 PHE A 12 -4.804 5.423 -0.013 1.00 1.35 H new ATOM 0 HE1 PHE A 12 -5.748 3.278 4.301 1.00 1.10 H new ATOM 0 HE2 PHE A 12 -4.655 2.941 0.234 1.00 1.73 H new ATOM 0 HZ PHE A 12 -5.129 1.897 2.387 1.00 1.47 H new ATOM 184 N LYS A 13 -4.549 10.296 1.919 1.00 0.51 N ATOM 185 CA LYS A 13 -4.111 11.467 1.178 1.00 0.52 C ATOM 186 C LYS A 13 -2.723 11.885 1.667 1.00 0.54 C ATOM 187 O LYS A 13 -1.769 11.913 0.890 1.00 0.55 O ATOM 188 CB LYS A 13 -5.156 12.580 1.270 1.00 0.56 C ATOM 189 CG LYS A 13 -5.182 13.415 -0.012 1.00 0.65 C ATOM 190 CD LYS A 13 -6.104 12.785 -1.059 1.00 1.09 C ATOM 191 CE LYS A 13 -7.411 13.569 -1.181 1.00 1.27 C ATOM 192 NZ LYS A 13 -7.990 13.404 -2.533 1.00 2.17 N ATOM 0 H LYS A 13 -5.411 10.424 2.449 1.00 0.51 H new ATOM 0 HA LYS A 13 -4.019 11.234 0.117 1.00 0.52 H new ATOM 0 HB2 LYS A 13 -6.140 12.146 1.446 1.00 0.56 H new ATOM 0 HB3 LYS A 13 -4.934 13.222 2.122 1.00 0.56 H new ATOM 0 HG2 LYS A 13 -5.521 14.426 0.215 1.00 0.65 H new ATOM 0 HG3 LYS A 13 -4.173 13.500 -0.415 1.00 0.65 H new ATOM 0 HD2 LYS A 13 -5.599 12.760 -2.025 1.00 1.09 H new ATOM 0 HD3 LYS A 13 -6.319 11.752 -0.785 1.00 1.09 H new ATOM 0 HE2 LYS A 13 -8.121 13.223 -0.430 1.00 1.27 H new ATOM 0 HE3 LYS A 13 -7.228 14.625 -0.984 1.00 1.27 H new ATOM 0 HZ1 LYS A 13 -8.877 13.943 -2.599 1.00 2.17 H new ATOM 0 HZ2 LYS A 13 -7.318 13.756 -3.244 1.00 2.17 H new ATOM 0 HZ3 LYS A 13 -8.183 12.397 -2.708 1.00 2.17 H new ATOM 206 N GLU A 14 -2.653 12.199 2.952 1.00 0.56 N ATOM 207 CA GLU A 14 -1.397 12.614 3.554 1.00 0.60 C ATOM 208 C GLU A 14 -0.434 11.428 3.644 1.00 0.59 C ATOM 209 O GLU A 14 0.779 11.599 3.533 1.00 0.66 O ATOM 210 CB GLU A 14 -1.629 13.238 4.931 1.00 0.69 C ATOM 211 CG GLU A 14 -0.667 14.402 5.175 1.00 1.54 C ATOM 212 CD GLU A 14 0.617 13.920 5.854 1.00 3.15 C ATOM 213 OE1 GLU A 14 0.493 13.338 6.953 1.00 3.53 O ATOM 214 OE2 GLU A 14 1.693 14.145 5.259 1.00 4.65 O ATOM 0 H GLU A 14 -3.446 12.174 3.593 1.00 0.56 H new ATOM 0 HA GLU A 14 -0.946 13.376 2.918 1.00 0.60 H new ATOM 0 HB2 GLU A 14 -2.658 13.590 5.006 1.00 0.69 H new ATOM 0 HB3 GLU A 14 -1.494 12.482 5.704 1.00 0.69 H new ATOM 0 HG2 GLU A 14 -0.423 14.882 4.227 1.00 1.54 H new ATOM 0 HG3 GLU A 14 -1.151 15.154 5.798 1.00 1.54 H new ATOM 221 N ALA A 15 -1.011 10.253 3.845 1.00 0.58 N ATOM 222 CA ALA A 15 -0.219 9.039 3.952 1.00 0.63 C ATOM 223 C ALA A 15 0.500 8.786 2.626 1.00 0.60 C ATOM 224 O ALA A 15 1.682 8.445 2.612 1.00 0.58 O ATOM 225 CB ALA A 15 -1.124 7.873 4.356 1.00 0.69 C ATOM 0 H ALA A 15 -2.017 10.115 3.937 1.00 0.58 H new ATOM 0 HA ALA A 15 0.542 9.144 4.725 1.00 0.63 H new ATOM 0 HB1 ALA A 15 -0.530 6.962 4.436 1.00 0.69 H new ATOM 0 HB2 ALA A 15 -1.588 8.089 5.318 1.00 0.69 H new ATOM 0 HB3 ALA A 15 -1.899 7.736 3.602 1.00 0.69 H new ATOM 231 N PHE A 16 -0.242 8.964 1.543 1.00 0.64 N ATOM 232 CA PHE A 16 0.310 8.760 0.215 1.00 0.68 C ATOM 233 C PHE A 16 1.740 9.296 0.127 1.00 0.62 C ATOM 234 O PHE A 16 2.623 8.636 -0.419 1.00 0.70 O ATOM 235 CB PHE A 16 -0.574 9.537 -0.762 1.00 0.77 C ATOM 236 CG PHE A 16 -0.230 9.303 -2.234 1.00 0.87 C ATOM 237 CD1 PHE A 16 -0.195 8.038 -2.732 1.00 0.60 C ATOM 238 CD2 PHE A 16 0.042 10.361 -3.045 1.00 1.49 C ATOM 239 CE1 PHE A 16 0.125 7.822 -4.099 1.00 0.88 C ATOM 240 CE2 PHE A 16 0.361 10.144 -4.412 1.00 1.77 C ATOM 241 CZ PHE A 16 0.396 8.879 -4.910 1.00 1.42 C ATOM 0 H PHE A 16 -1.222 9.248 1.558 1.00 0.64 H new ATOM 0 HA PHE A 16 0.335 7.695 -0.017 1.00 0.68 H new ATOM 0 HB2 PHE A 16 -1.615 9.259 -0.594 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -0.489 10.602 -0.545 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -0.410 7.198 -2.088 1.00 0.60 H new ATOM 0 HD2 PHE A 16 0.015 11.366 -2.649 1.00 1.49 H new ATOM 0 HE1 PHE A 16 0.153 6.817 -4.494 1.00 0.88 H new ATOM 0 HE2 PHE A 16 0.576 10.984 -5.056 1.00 1.77 H new ATOM 0 HZ PHE A 16 0.639 8.714 -5.949 1.00 1.42 H new ATOM 251 N SER A 17 1.925 10.489 0.674 1.00 0.58 N ATOM 252 CA SER A 17 3.233 11.122 0.665 1.00 0.56 C ATOM 253 C SER A 17 4.288 10.152 1.200 1.00 0.49 C ATOM 254 O SER A 17 5.320 9.940 0.566 1.00 0.48 O ATOM 255 CB SER A 17 3.227 12.409 1.492 1.00 0.62 C ATOM 256 OG SER A 17 4.476 13.092 1.425 1.00 1.53 O ATOM 0 H SER A 17 1.191 11.034 1.126 1.00 0.58 H new ATOM 0 HA SER A 17 3.479 11.384 -0.364 1.00 0.56 H new ATOM 0 HB2 SER A 17 2.435 13.066 1.134 1.00 0.62 H new ATOM 0 HB3 SER A 17 2.999 12.171 2.531 1.00 0.62 H new ATOM 0 HG SER A 17 4.431 13.909 1.964 1.00 1.53 H new ATOM 262 N LEU A 18 3.992 9.588 2.362 1.00 0.49 N ATOM 263 CA LEU A 18 4.902 8.645 2.990 1.00 0.46 C ATOM 264 C LEU A 18 4.914 7.343 2.187 1.00 0.41 C ATOM 265 O LEU A 18 5.958 6.926 1.688 1.00 0.46 O ATOM 266 CB LEU A 18 4.543 8.455 4.465 1.00 0.50 C ATOM 267 CG LEU A 18 4.810 9.653 5.379 1.00 0.59 C ATOM 268 CD1 LEU A 18 4.267 9.399 6.787 1.00 0.82 C ATOM 269 CD2 LEU A 18 6.297 10.011 5.394 1.00 0.75 C ATOM 0 H LEU A 18 3.135 9.766 2.885 1.00 0.49 H new ATOM 0 HA LEU A 18 5.920 9.035 2.982 1.00 0.46 H new ATOM 0 HB2 LEU A 18 3.485 8.201 4.531 1.00 0.50 H new ATOM 0 HB3 LEU A 18 5.101 7.600 4.847 1.00 0.50 H new ATOM 0 HG LEU A 18 4.276 10.515 4.978 1.00 0.59 H new ATOM 0 HD11 LEU A 18 4.470 10.265 7.417 1.00 0.82 H new ATOM 0 HD12 LEU A 18 3.191 9.230 6.737 1.00 0.82 H new ATOM 0 HD13 LEU A 18 4.753 8.520 7.211 1.00 0.82 H new ATOM 0 HD21 LEU A 18 6.459 10.865 6.051 1.00 0.75 H new ATOM 0 HD22 LEU A 18 6.873 9.160 5.757 1.00 0.75 H new ATOM 0 HD23 LEU A 18 6.621 10.263 4.384 1.00 0.75 H new ATOM 281 N PHE A 19 3.740 6.736 2.087 1.00 0.40 N ATOM 282 CA PHE A 19 3.602 5.489 1.354 1.00 0.42 C ATOM 283 C PHE A 19 4.400 5.530 0.049 1.00 0.39 C ATOM 284 O PHE A 19 5.106 4.578 -0.281 1.00 0.46 O ATOM 285 CB PHE A 19 2.117 5.326 1.025 1.00 0.51 C ATOM 286 CG PHE A 19 1.257 4.909 2.220 1.00 1.05 C ATOM 287 CD1 PHE A 19 1.719 3.979 3.098 1.00 2.43 C ATOM 288 CD2 PHE A 19 0.031 5.468 2.403 1.00 2.46 C ATOM 289 CE1 PHE A 19 0.921 3.592 4.207 1.00 2.94 C ATOM 290 CE2 PHE A 19 -0.767 5.081 3.512 1.00 2.90 C ATOM 291 CZ PHE A 19 -0.305 4.151 4.391 1.00 2.47 C ATOM 0 H PHE A 19 2.876 7.085 2.502 1.00 0.40 H new ATOM 0 HA PHE A 19 3.979 4.661 1.954 1.00 0.42 H new ATOM 0 HB2 PHE A 19 1.738 6.268 0.629 1.00 0.51 H new ATOM 0 HB3 PHE A 19 2.010 4.582 0.236 1.00 0.51 H new ATOM 0 HD1 PHE A 19 2.693 3.535 2.952 1.00 2.43 H new ATOM 0 HD2 PHE A 19 -0.336 6.206 1.705 1.00 2.46 H new ATOM 0 HE1 PHE A 19 1.288 2.854 4.905 1.00 2.94 H new ATOM 0 HE2 PHE A 19 -1.741 5.525 3.658 1.00 2.90 H new ATOM 0 HZ PHE A 19 -0.912 3.857 5.235 1.00 2.47 H new ATOM 301 N ASP A 20 4.260 6.641 -0.659 1.00 0.38 N ATOM 302 CA ASP A 20 4.959 6.818 -1.920 1.00 0.40 C ATOM 303 C ASP A 20 6.343 7.412 -1.653 1.00 0.47 C ATOM 304 O ASP A 20 6.474 8.616 -1.434 1.00 0.80 O ATOM 305 CB ASP A 20 4.201 7.779 -2.839 1.00 0.56 C ATOM 306 CG ASP A 20 4.319 7.472 -4.334 1.00 0.60 C ATOM 307 OD1 ASP A 20 5.396 6.976 -4.728 1.00 0.65 O ATOM 308 OD2 ASP A 20 3.329 7.742 -5.048 1.00 1.00 O ATOM 0 H ASP A 20 3.672 7.428 -0.383 1.00 0.38 H new ATOM 0 HA ASP A 20 5.037 5.843 -2.402 1.00 0.40 H new ATOM 0 HB2 ASP A 20 3.147 7.766 -2.563 1.00 0.56 H new ATOM 0 HB3 ASP A 20 4.565 8.791 -2.661 1.00 0.56 H new ATOM 313 N LYS A 21 7.341 6.541 -1.678 1.00 0.62 N ATOM 314 CA LYS A 21 8.710 6.965 -1.441 1.00 0.79 C ATOM 315 C LYS A 21 9.267 7.611 -2.711 1.00 0.72 C ATOM 316 O LYS A 21 9.744 8.744 -2.678 1.00 0.92 O ATOM 317 CB LYS A 21 9.551 5.795 -0.927 1.00 1.02 C ATOM 318 CG LYS A 21 8.792 4.999 0.137 1.00 0.69 C ATOM 319 CD LYS A 21 8.660 5.802 1.432 1.00 0.88 C ATOM 320 CE LYS A 21 7.956 4.983 2.516 1.00 1.09 C ATOM 321 NZ LYS A 21 8.358 5.450 3.862 1.00 1.65 N ATOM 0 H LYS A 21 7.229 5.543 -1.859 1.00 0.62 H new ATOM 0 HA LYS A 21 8.744 7.722 -0.657 1.00 0.79 H new ATOM 0 HB2 LYS A 21 9.815 5.140 -1.757 1.00 1.02 H new ATOM 0 HB3 LYS A 21 10.485 6.170 -0.508 1.00 1.02 H new ATOM 0 HG2 LYS A 21 7.802 4.739 -0.236 1.00 0.69 H new ATOM 0 HG3 LYS A 21 9.314 4.063 0.337 1.00 0.69 H new ATOM 0 HD2 LYS A 21 9.648 6.101 1.781 1.00 0.88 H new ATOM 0 HD3 LYS A 21 8.099 6.717 1.241 1.00 0.88 H new ATOM 0 HE2 LYS A 21 6.876 5.071 2.402 1.00 1.09 H new ATOM 0 HE3 LYS A 21 8.204 3.928 2.402 1.00 1.09 H new ATOM 0 HZ1 LYS A 21 8.337 4.651 4.527 1.00 1.65 H new ATOM 0 HZ2 LYS A 21 9.321 5.841 3.821 1.00 1.65 H new ATOM 0 HZ3 LYS A 21 7.699 6.187 4.185 1.00 1.65 H new ATOM 335 N ASP A 22 9.187 6.862 -3.802 1.00 0.68 N ATOM 336 CA ASP A 22 9.677 7.347 -5.080 1.00 0.67 C ATOM 337 C ASP A 22 9.129 8.753 -5.331 1.00 0.58 C ATOM 338 O ASP A 22 9.884 9.671 -5.648 1.00 0.76 O ATOM 339 CB ASP A 22 9.212 6.447 -6.227 1.00 0.73 C ATOM 340 CG ASP A 22 10.215 5.373 -6.654 1.00 1.47 C ATOM 341 OD1 ASP A 22 11.412 5.719 -6.744 1.00 2.36 O ATOM 342 OD2 ASP A 22 9.761 4.231 -6.881 1.00 1.74 O ATOM 0 H ASP A 22 8.790 5.923 -3.826 1.00 0.68 H new ATOM 0 HA ASP A 22 10.766 7.350 -5.043 1.00 0.67 H new ATOM 0 HB2 ASP A 22 8.283 5.959 -5.932 1.00 0.73 H new ATOM 0 HB3 ASP A 22 8.983 7.073 -7.090 1.00 0.73 H new ATOM 347 N GLY A 23 7.818 8.879 -5.180 1.00 0.44 N ATOM 348 CA GLY A 23 7.160 10.157 -5.386 1.00 0.48 C ATOM 349 C GLY A 23 6.838 10.376 -6.866 1.00 0.51 C ATOM 350 O GLY A 23 6.925 11.497 -7.365 1.00 0.62 O ATOM 0 H GLY A 23 7.194 8.116 -4.917 1.00 0.44 H new ATOM 0 HA2 GLY A 23 6.241 10.196 -4.801 1.00 0.48 H new ATOM 0 HA3 GLY A 23 7.801 10.962 -5.027 1.00 0.48 H new ATOM 354 N ASP A 24 6.473 9.287 -7.526 1.00 0.51 N ATOM 355 CA ASP A 24 6.137 9.346 -8.939 1.00 0.64 C ATOM 356 C ASP A 24 4.640 9.086 -9.114 1.00 0.71 C ATOM 357 O ASP A 24 4.052 9.477 -10.121 1.00 1.17 O ATOM 358 CB ASP A 24 6.898 8.280 -9.730 1.00 0.69 C ATOM 359 CG ASP A 24 7.159 6.976 -8.974 1.00 0.85 C ATOM 360 OD1 ASP A 24 6.385 6.702 -8.031 1.00 0.71 O ATOM 361 OD2 ASP A 24 8.127 6.283 -9.355 1.00 1.50 O ATOM 0 H ASP A 24 6.402 8.359 -7.109 1.00 0.51 H new ATOM 0 HA ASP A 24 6.410 10.334 -9.310 1.00 0.64 H new ATOM 0 HB2 ASP A 24 6.336 8.051 -10.635 1.00 0.69 H new ATOM 0 HB3 ASP A 24 7.854 8.697 -10.045 1.00 0.69 H new ATOM 366 N GLY A 25 4.065 8.427 -8.118 1.00 0.46 N ATOM 367 CA GLY A 25 2.648 8.110 -8.150 1.00 0.50 C ATOM 368 C GLY A 25 2.425 6.597 -8.200 1.00 0.56 C ATOM 369 O GLY A 25 1.432 6.130 -8.756 1.00 0.98 O ATOM 0 H GLY A 25 4.555 8.104 -7.284 1.00 0.46 H new ATOM 0 HA2 GLY A 25 2.159 8.524 -7.268 1.00 0.50 H new ATOM 0 HA3 GLY A 25 2.187 8.578 -9.020 1.00 0.50 H new ATOM 373 N THR A 26 3.366 5.873 -7.613 1.00 0.35 N ATOM 374 CA THR A 26 3.285 4.422 -7.584 1.00 0.38 C ATOM 375 C THR A 26 4.064 3.868 -6.389 1.00 0.36 C ATOM 376 O THR A 26 5.238 4.185 -6.208 1.00 0.46 O ATOM 377 CB THR A 26 3.783 3.894 -8.931 1.00 0.47 C ATOM 378 OG1 THR A 26 4.940 4.680 -9.206 1.00 1.02 O ATOM 379 CG2 THR A 26 2.827 4.224 -10.079 1.00 1.19 C ATOM 0 H THR A 26 4.189 6.264 -7.154 1.00 0.35 H new ATOM 0 HA THR A 26 2.257 4.086 -7.446 1.00 0.38 H new ATOM 0 HB THR A 26 3.918 2.814 -8.870 1.00 0.47 H new ATOM 0 HG1 THR A 26 5.371 4.934 -8.363 1.00 1.02 H new ATOM 0 HG21 THR A 26 3.228 3.827 -11.012 1.00 1.19 H new ATOM 0 HG22 THR A 26 1.853 3.775 -9.882 1.00 1.19 H new ATOM 0 HG23 THR A 26 2.718 5.305 -10.162 1.00 1.19 H new ATOM 387 N ILE A 27 3.378 3.050 -5.605 1.00 0.33 N ATOM 388 CA ILE A 27 3.990 2.450 -4.432 1.00 0.32 C ATOM 389 C ILE A 27 4.571 1.085 -4.808 1.00 0.35 C ATOM 390 O ILE A 27 3.830 0.122 -4.998 1.00 0.67 O ATOM 391 CB ILE A 27 2.991 2.395 -3.274 1.00 0.34 C ATOM 392 CG1 ILE A 27 2.847 3.765 -2.609 1.00 0.42 C ATOM 393 CG2 ILE A 27 3.375 1.307 -2.269 1.00 0.37 C ATOM 394 CD1 ILE A 27 2.249 4.786 -3.579 1.00 0.70 C ATOM 0 H ILE A 27 2.404 2.789 -5.759 1.00 0.33 H new ATOM 0 HA ILE A 27 4.818 3.064 -4.078 1.00 0.32 H new ATOM 0 HB ILE A 27 2.014 2.129 -3.678 1.00 0.34 H new ATOM 0 HG12 ILE A 27 2.211 3.680 -1.728 1.00 0.42 H new ATOM 0 HG13 ILE A 27 3.822 4.111 -2.267 1.00 0.42 H new ATOM 0 HG21 ILE A 27 2.649 1.290 -1.456 1.00 0.37 H new ATOM 0 HG22 ILE A 27 3.385 0.338 -2.768 1.00 0.37 H new ATOM 0 HG23 ILE A 27 4.366 1.517 -1.866 1.00 0.37 H new ATOM 0 HD11 ILE A 27 2.158 5.751 -3.081 1.00 0.70 H new ATOM 0 HD12 ILE A 27 2.899 4.886 -4.448 1.00 0.70 H new ATOM 0 HD13 ILE A 27 1.264 4.449 -3.900 1.00 0.70 H new ATOM 406 N THR A 28 5.892 1.046 -4.904 1.00 0.29 N ATOM 407 CA THR A 28 6.581 -0.184 -5.254 1.00 0.36 C ATOM 408 C THR A 28 6.713 -1.089 -4.027 1.00 0.32 C ATOM 409 O THR A 28 6.742 -0.607 -2.896 1.00 0.33 O ATOM 410 CB THR A 28 7.926 0.189 -5.881 1.00 0.45 C ATOM 411 OG1 THR A 28 7.585 0.645 -7.187 1.00 0.66 O ATOM 412 CG2 THR A 28 8.813 -1.032 -6.133 1.00 0.54 C ATOM 0 H THR A 28 6.503 1.847 -4.745 1.00 0.29 H new ATOM 0 HA THR A 28 6.014 -0.760 -5.985 1.00 0.36 H new ATOM 0 HB THR A 28 8.449 0.889 -5.229 1.00 0.45 H new ATOM 0 HG1 THR A 28 8.399 0.909 -7.664 1.00 0.66 H new ATOM 0 HG21 THR A 28 9.755 -0.712 -6.579 1.00 0.54 H new ATOM 0 HG22 THR A 28 9.012 -1.538 -5.188 1.00 0.54 H new ATOM 0 HG23 THR A 28 8.305 -1.717 -6.812 1.00 0.54 H new ATOM 420 N THR A 29 6.790 -2.385 -4.292 1.00 0.39 N ATOM 421 CA THR A 29 6.918 -3.361 -3.224 1.00 0.45 C ATOM 422 C THR A 29 7.829 -2.825 -2.118 1.00 0.45 C ATOM 423 O THR A 29 7.591 -3.076 -0.937 1.00 0.47 O ATOM 424 CB THR A 29 7.415 -4.671 -3.838 1.00 0.58 C ATOM 425 OG1 THR A 29 8.742 -4.373 -4.265 1.00 0.63 O ATOM 426 CG2 THR A 29 6.679 -5.029 -5.131 1.00 0.62 C ATOM 0 H THR A 29 6.766 -2.782 -5.231 1.00 0.39 H new ATOM 0 HA THR A 29 5.957 -3.553 -2.746 1.00 0.45 H new ATOM 0 HB THR A 29 7.294 -5.479 -3.116 1.00 0.58 H new ATOM 0 HG1 THR A 29 9.141 -5.169 -4.674 1.00 0.63 H new ATOM 0 HG21 THR A 29 7.070 -5.967 -5.525 1.00 0.62 H new ATOM 0 HG22 THR A 29 5.614 -5.138 -4.925 1.00 0.62 H new ATOM 0 HG23 THR A 29 6.827 -4.237 -5.865 1.00 0.62 H new ATOM 434 N LYS A 30 8.852 -2.096 -2.539 1.00 0.60 N ATOM 435 CA LYS A 30 9.799 -1.522 -1.598 1.00 0.76 C ATOM 436 C LYS A 30 9.114 -0.404 -0.809 1.00 0.76 C ATOM 437 O LYS A 30 9.138 -0.403 0.421 1.00 0.85 O ATOM 438 CB LYS A 30 11.069 -1.073 -2.324 1.00 0.95 C ATOM 439 CG LYS A 30 11.961 -2.270 -2.660 1.00 1.83 C ATOM 440 CD LYS A 30 13.208 -1.826 -3.427 1.00 1.79 C ATOM 441 CE LYS A 30 14.404 -2.720 -3.092 1.00 3.43 C ATOM 442 NZ LYS A 30 15.019 -3.248 -4.331 1.00 4.21 N ATOM 0 H LYS A 30 9.046 -1.890 -3.519 1.00 0.60 H new ATOM 0 HA LYS A 30 10.120 -2.272 -0.875 1.00 0.76 H new ATOM 0 HB2 LYS A 30 10.802 -0.546 -3.240 1.00 0.95 H new ATOM 0 HB3 LYS A 30 11.619 -0.369 -1.700 1.00 0.95 H new ATOM 0 HG2 LYS A 30 12.256 -2.777 -1.742 1.00 1.83 H new ATOM 0 HG3 LYS A 30 11.400 -2.990 -3.256 1.00 1.83 H new ATOM 0 HD2 LYS A 30 13.012 -1.861 -4.499 1.00 1.79 H new ATOM 0 HD3 LYS A 30 13.442 -0.791 -3.179 1.00 1.79 H new ATOM 0 HE2 LYS A 30 15.142 -2.153 -2.526 1.00 3.43 H new ATOM 0 HE3 LYS A 30 14.082 -3.546 -2.458 1.00 3.43 H new ATOM 0 HZ1 LYS A 30 15.829 -3.853 -4.086 1.00 4.21 H new ATOM 0 HZ2 LYS A 30 14.316 -3.806 -4.857 1.00 4.21 H new ATOM 0 HZ3 LYS A 30 15.344 -2.456 -4.922 1.00 4.21 H new ATOM 456 N GLU A 31 8.519 0.520 -1.549 1.00 0.72 N ATOM 457 CA GLU A 31 7.828 1.640 -0.934 1.00 0.75 C ATOM 458 C GLU A 31 6.883 1.144 0.162 1.00 0.64 C ATOM 459 O GLU A 31 6.654 1.839 1.151 1.00 0.70 O ATOM 460 CB GLU A 31 7.072 2.460 -1.981 1.00 0.79 C ATOM 461 CG GLU A 31 8.030 3.028 -3.030 1.00 0.89 C ATOM 462 CD GLU A 31 7.285 3.916 -4.029 1.00 0.95 C ATOM 463 OE1 GLU A 31 6.575 4.830 -3.556 1.00 2.15 O ATOM 464 OE2 GLU A 31 7.443 3.661 -5.242 1.00 1.90 O ATOM 0 H GLU A 31 8.501 0.516 -2.569 1.00 0.72 H new ATOM 0 HA GLU A 31 8.571 2.293 -0.477 1.00 0.75 H new ATOM 0 HB2 GLU A 31 6.324 1.834 -2.468 1.00 0.79 H new ATOM 0 HB3 GLU A 31 6.537 3.275 -1.493 1.00 0.79 H new ATOM 0 HG2 GLU A 31 8.813 3.605 -2.538 1.00 0.89 H new ATOM 0 HG3 GLU A 31 8.521 2.211 -3.559 1.00 0.89 H new ATOM 471 N LEU A 32 6.359 -0.054 -0.050 1.00 0.52 N ATOM 472 CA LEU A 32 5.444 -0.651 0.907 1.00 0.47 C ATOM 473 C LEU A 32 6.219 -1.057 2.163 1.00 0.47 C ATOM 474 O LEU A 32 5.912 -0.596 3.261 1.00 0.61 O ATOM 475 CB LEU A 32 4.671 -1.804 0.263 1.00 0.46 C ATOM 476 CG LEU A 32 3.499 -2.361 1.073 1.00 0.62 C ATOM 477 CD1 LEU A 32 2.977 -3.661 0.459 1.00 1.39 C ATOM 478 CD2 LEU A 32 3.883 -2.536 2.544 1.00 1.81 C ATOM 0 H LEU A 32 6.551 -0.628 -0.871 1.00 0.52 H new ATOM 0 HA LEU A 32 4.691 0.074 1.216 1.00 0.47 H new ATOM 0 HB2 LEU A 32 4.292 -1.467 -0.702 1.00 0.46 H new ATOM 0 HB3 LEU A 32 5.369 -2.617 0.065 1.00 0.46 H new ATOM 0 HG LEU A 32 2.684 -1.638 1.037 1.00 0.62 H new ATOM 0 HD11 LEU A 32 2.144 -4.036 1.054 1.00 1.39 H new ATOM 0 HD12 LEU A 32 2.639 -3.472 -0.560 1.00 1.39 H new ATOM 0 HD13 LEU A 32 3.775 -4.403 0.445 1.00 1.39 H new ATOM 0 HD21 LEU A 32 3.032 -2.933 3.097 1.00 1.81 H new ATOM 0 HD22 LEU A 32 4.721 -3.228 2.621 1.00 1.81 H new ATOM 0 HD23 LEU A 32 4.170 -1.571 2.963 1.00 1.81 H new ATOM 490 N GLY A 33 7.208 -1.914 1.958 1.00 0.40 N ATOM 491 CA GLY A 33 8.029 -2.387 3.059 1.00 0.44 C ATOM 492 C GLY A 33 8.782 -1.229 3.718 1.00 0.46 C ATOM 493 O GLY A 33 9.218 -1.339 4.863 1.00 0.60 O ATOM 0 H GLY A 33 7.459 -2.293 1.045 1.00 0.40 H new ATOM 0 HA2 GLY A 33 7.401 -2.885 3.798 1.00 0.44 H new ATOM 0 HA3 GLY A 33 8.741 -3.128 2.695 1.00 0.44 H new ATOM 497 N THR A 34 8.911 -0.146 2.966 1.00 0.42 N ATOM 498 CA THR A 34 9.604 1.031 3.462 1.00 0.48 C ATOM 499 C THR A 34 8.810 1.678 4.598 1.00 0.53 C ATOM 500 O THR A 34 9.380 2.069 5.615 1.00 0.80 O ATOM 501 CB THR A 34 9.848 1.970 2.279 1.00 0.51 C ATOM 502 OG1 THR A 34 10.800 1.277 1.476 1.00 0.60 O ATOM 503 CG2 THR A 34 10.572 3.254 2.690 1.00 0.59 C ATOM 0 H THR A 34 8.547 -0.059 2.017 1.00 0.42 H new ATOM 0 HA THR A 34 10.571 0.769 3.892 1.00 0.48 H new ATOM 0 HB THR A 34 8.895 2.223 1.815 1.00 0.51 H new ATOM 0 HG1 THR A 34 10.369 0.507 1.049 1.00 0.60 H new ATOM 0 HG21 THR A 34 10.720 3.885 1.813 1.00 0.59 H new ATOM 0 HG22 THR A 34 9.973 3.790 3.426 1.00 0.59 H new ATOM 0 HG23 THR A 34 11.540 3.003 3.124 1.00 0.59 H new ATOM 511 N VAL A 35 7.505 1.771 4.386 1.00 0.38 N ATOM 512 CA VAL A 35 6.626 2.365 5.380 1.00 0.47 C ATOM 513 C VAL A 35 6.516 1.425 6.583 1.00 0.49 C ATOM 514 O VAL A 35 6.684 1.851 7.725 1.00 0.56 O ATOM 515 CB VAL A 35 5.271 2.692 4.751 1.00 0.57 C ATOM 516 CG1 VAL A 35 4.193 2.855 5.824 1.00 1.38 C ATOM 517 CG2 VAL A 35 5.361 3.940 3.870 1.00 1.24 C ATOM 0 H VAL A 35 7.035 1.445 3.541 1.00 0.38 H new ATOM 0 HA VAL A 35 7.038 3.308 5.740 1.00 0.47 H new ATOM 0 HB VAL A 35 4.987 1.854 4.115 1.00 0.57 H new ATOM 0 HG11 VAL A 35 3.240 3.087 5.350 1.00 1.38 H new ATOM 0 HG12 VAL A 35 4.100 1.928 6.390 1.00 1.38 H new ATOM 0 HG13 VAL A 35 4.470 3.666 6.498 1.00 1.38 H new ATOM 0 HG21 VAL A 35 4.384 4.150 3.435 1.00 1.24 H new ATOM 0 HG22 VAL A 35 5.679 4.790 4.474 1.00 1.24 H new ATOM 0 HG23 VAL A 35 6.084 3.771 3.072 1.00 1.24 H new ATOM 527 N MET A 36 6.234 0.165 6.286 1.00 0.47 N ATOM 528 CA MET A 36 6.100 -0.837 7.328 1.00 0.52 C ATOM 529 C MET A 36 7.191 -0.676 8.388 1.00 0.56 C ATOM 530 O MET A 36 6.896 -0.412 9.553 1.00 0.69 O ATOM 531 CB MET A 36 6.191 -2.233 6.709 1.00 0.55 C ATOM 532 CG MET A 36 5.026 -2.485 5.750 1.00 0.59 C ATOM 533 SD MET A 36 3.615 -3.103 6.652 1.00 0.65 S ATOM 534 CE MET A 36 3.839 -4.858 6.414 1.00 2.91 C ATOM 0 H MET A 36 6.095 -0.184 5.338 1.00 0.47 H new ATOM 0 HA MET A 36 5.131 -0.706 7.809 1.00 0.52 H new ATOM 0 HB2 MET A 36 7.135 -2.337 6.175 1.00 0.55 H new ATOM 0 HB3 MET A 36 6.187 -2.985 7.498 1.00 0.55 H new ATOM 0 HG2 MET A 36 4.762 -1.561 5.235 1.00 0.59 H new ATOM 0 HG3 MET A 36 5.322 -3.203 4.986 1.00 0.59 H new ATOM 0 HE1 MET A 36 2.963 -5.272 5.916 1.00 2.91 H new ATOM 0 HE2 MET A 36 4.722 -5.032 5.799 1.00 2.91 H new ATOM 0 HE3 MET A 36 3.969 -5.343 7.382 1.00 2.91 H new ATOM 544 N ARG A 37 8.429 -0.841 7.947 1.00 0.59 N ATOM 545 CA ARG A 37 9.566 -0.717 8.843 1.00 0.72 C ATOM 546 C ARG A 37 9.616 0.689 9.446 1.00 0.90 C ATOM 547 O ARG A 37 10.138 0.879 10.543 1.00 1.24 O ATOM 548 CB ARG A 37 10.879 -0.996 8.109 1.00 0.99 C ATOM 549 CG ARG A 37 11.043 -0.067 6.905 1.00 1.52 C ATOM 550 CD ARG A 37 11.823 1.193 7.286 1.00 2.42 C ATOM 551 NE ARG A 37 12.169 1.962 6.070 1.00 3.16 N ATOM 552 CZ ARG A 37 12.691 3.196 6.085 1.00 4.25 C ATOM 553 NH1 ARG A 37 12.930 3.808 7.252 1.00 4.94 N ATOM 554 NH2 ARG A 37 12.974 3.817 4.932 1.00 5.01 N ATOM 0 H ARG A 37 8.670 -1.060 6.980 1.00 0.59 H new ATOM 0 HA ARG A 37 9.443 -1.453 9.638 1.00 0.72 H new ATOM 0 HB2 ARG A 37 11.717 -0.862 8.793 1.00 0.99 H new ATOM 0 HB3 ARG A 37 10.901 -2.034 7.777 1.00 0.99 H new ATOM 0 HG2 ARG A 37 11.563 -0.592 6.104 1.00 1.52 H new ATOM 0 HG3 ARG A 37 10.062 0.211 6.520 1.00 1.52 H new ATOM 0 HD2 ARG A 37 11.227 1.810 7.959 1.00 2.42 H new ATOM 0 HD3 ARG A 37 12.731 0.920 7.824 1.00 2.42 H new ATOM 0 HE ARG A 37 12.000 1.525 5.164 1.00 3.16 H new ATOM 0 HH11 ARG A 37 12.715 3.335 8.130 1.00 4.94 H new ATOM 0 HH12 ARG A 37 13.327 4.747 7.263 1.00 4.94 H new ATOM 0 HH21 ARG A 37 12.792 3.350 4.043 1.00 5.01 H new ATOM 0 HH22 ARG A 37 13.371 4.756 4.943 1.00 5.01 H new ATOM 568 N SER A 38 9.066 1.637 8.701 1.00 0.80 N ATOM 569 CA SER A 38 9.041 3.019 9.149 1.00 1.09 C ATOM 570 C SER A 38 8.327 3.120 10.498 1.00 1.22 C ATOM 571 O SER A 38 8.518 4.087 11.234 1.00 1.52 O ATOM 572 CB SER A 38 8.357 3.920 8.118 1.00 1.12 C ATOM 573 OG SER A 38 8.907 5.234 8.108 1.00 1.55 O ATOM 0 H SER A 38 8.635 1.475 7.791 1.00 0.80 H new ATOM 0 HA SER A 38 10.070 3.359 9.264 1.00 1.09 H new ATOM 0 HB2 SER A 38 8.457 3.478 7.127 1.00 1.12 H new ATOM 0 HB3 SER A 38 7.290 3.975 8.336 1.00 1.12 H new ATOM 0 HG SER A 38 8.445 5.777 7.436 1.00 1.55 H new ATOM 579 N LEU A 39 7.520 2.108 10.781 1.00 1.12 N ATOM 580 CA LEU A 39 6.777 2.071 12.029 1.00 1.42 C ATOM 581 C LEU A 39 7.620 1.375 13.100 1.00 1.58 C ATOM 582 O LEU A 39 8.010 1.995 14.088 1.00 2.64 O ATOM 583 CB LEU A 39 5.404 1.431 11.816 1.00 1.45 C ATOM 584 CG LEU A 39 4.455 2.176 10.875 1.00 1.38 C ATOM 585 CD1 LEU A 39 3.194 1.353 10.603 1.00 1.57 C ATOM 586 CD2 LEU A 39 4.125 3.567 11.419 1.00 1.76 C ATOM 0 H LEU A 39 7.364 1.308 10.168 1.00 1.12 H new ATOM 0 HA LEU A 39 6.581 3.082 12.385 1.00 1.42 H new ATOM 0 HB2 LEU A 39 5.551 0.423 11.428 1.00 1.45 H new ATOM 0 HB3 LEU A 39 4.917 1.331 12.786 1.00 1.45 H new ATOM 0 HG LEU A 39 4.961 2.315 9.919 1.00 1.38 H new ATOM 0 HD11 LEU A 39 2.537 1.906 9.932 1.00 1.57 H new ATOM 0 HD12 LEU A 39 3.471 0.405 10.141 1.00 1.57 H new ATOM 0 HD13 LEU A 39 2.675 1.161 11.542 1.00 1.57 H new ATOM 0 HD21 LEU A 39 3.449 4.076 10.732 1.00 1.76 H new ATOM 0 HD22 LEU A 39 3.647 3.472 12.394 1.00 1.76 H new ATOM 0 HD23 LEU A 39 5.043 4.146 11.519 1.00 1.76 H new ATOM 598 N GLY A 40 7.877 0.097 12.866 1.00 0.87 N ATOM 599 CA GLY A 40 8.668 -0.690 13.798 1.00 0.87 C ATOM 600 C GLY A 40 8.978 -2.073 13.223 1.00 1.01 C ATOM 601 O GLY A 40 10.101 -2.561 13.340 1.00 2.03 O ATOM 0 H GLY A 40 7.552 -0.414 12.045 1.00 0.87 H new ATOM 0 HA2 GLY A 40 9.599 -0.168 14.021 1.00 0.87 H new ATOM 0 HA3 GLY A 40 8.128 -0.796 14.739 1.00 0.87 H new ATOM 605 N GLN A 41 7.962 -2.667 12.614 1.00 0.75 N ATOM 606 CA GLN A 41 8.111 -3.984 12.020 1.00 0.69 C ATOM 607 C GLN A 41 9.366 -4.033 11.146 1.00 0.85 C ATOM 608 O GLN A 41 10.050 -3.024 10.978 1.00 1.75 O ATOM 609 CB GLN A 41 6.868 -4.368 11.215 1.00 0.60 C ATOM 610 CG GLN A 41 6.275 -3.147 10.508 1.00 1.93 C ATOM 611 CD GLN A 41 4.935 -2.750 11.131 1.00 3.02 C ATOM 612 OE1 GLN A 41 4.864 -1.985 12.078 1.00 4.46 O ATOM 613 NE2 GLN A 41 3.880 -3.313 10.548 1.00 3.42 N ATOM 0 H GLN A 41 7.032 -2.260 12.519 1.00 0.75 H new ATOM 0 HA GLN A 41 8.222 -4.712 12.824 1.00 0.69 H new ATOM 0 HB2 GLN A 41 7.128 -5.129 10.479 1.00 0.60 H new ATOM 0 HB3 GLN A 41 6.122 -4.807 11.878 1.00 0.60 H new ATOM 0 HG2 GLN A 41 6.972 -2.311 10.572 1.00 1.93 H new ATOM 0 HG3 GLN A 41 6.137 -3.367 9.449 1.00 1.93 H new ATOM 0 HE21 GLN A 41 4.011 -3.945 9.758 1.00 3.42 H new ATOM 0 HE22 GLN A 41 2.940 -3.113 10.891 1.00 3.42 H new ATOM 622 N ASN A 42 9.632 -5.216 10.612 1.00 0.79 N ATOM 623 CA ASN A 42 10.792 -5.410 9.760 1.00 0.78 C ATOM 624 C ASN A 42 10.528 -6.573 8.802 1.00 0.61 C ATOM 625 O ASN A 42 11.231 -7.582 8.835 1.00 0.64 O ATOM 626 CB ASN A 42 12.033 -5.752 10.588 1.00 0.98 C ATOM 627 CG ASN A 42 12.876 -4.503 10.853 1.00 1.48 C ATOM 628 OD1 ASN A 42 13.942 -4.311 10.291 1.00 1.84 O ATOM 629 ND2 ASN A 42 12.341 -3.667 11.739 1.00 2.22 N ATOM 0 H ASN A 42 9.063 -6.051 10.753 1.00 0.79 H new ATOM 0 HA ASN A 42 10.967 -4.483 9.213 1.00 0.78 H new ATOM 0 HB2 ASN A 42 11.731 -6.199 11.535 1.00 0.98 H new ATOM 0 HB3 ASN A 42 12.632 -6.495 10.062 1.00 0.98 H new ATOM 0 HD21 ASN A 42 12.827 -2.805 11.985 1.00 2.22 H new ATOM 0 HD22 ASN A 42 11.445 -3.888 12.173 1.00 2.22 H new ATOM 636 N PRO A 43 9.485 -6.389 7.948 1.00 0.49 N ATOM 637 CA PRO A 43 9.119 -7.411 6.983 1.00 0.41 C ATOM 638 C PRO A 43 10.111 -7.446 5.818 1.00 0.41 C ATOM 639 O PRO A 43 11.069 -6.674 5.791 1.00 0.54 O ATOM 640 CB PRO A 43 7.707 -7.055 6.549 1.00 0.45 C ATOM 641 CG PRO A 43 7.508 -5.598 6.932 1.00 0.51 C ATOM 642 CD PRO A 43 8.630 -5.208 7.880 1.00 0.54 C ATOM 0 HA PRO A 43 9.151 -8.416 7.403 1.00 0.41 H new ATOM 0 HB2 PRO A 43 7.581 -7.197 5.476 1.00 0.45 H new ATOM 0 HB3 PRO A 43 6.974 -7.692 7.044 1.00 0.45 H new ATOM 0 HG2 PRO A 43 7.521 -4.965 6.045 1.00 0.51 H new ATOM 0 HG3 PRO A 43 6.538 -5.458 7.410 1.00 0.51 H new ATOM 0 HD2 PRO A 43 9.179 -4.343 7.509 1.00 0.54 H new ATOM 0 HD3 PRO A 43 8.243 -4.942 8.864 1.00 0.54 H new ATOM 650 N THR A 44 9.847 -8.348 4.884 1.00 0.43 N ATOM 651 CA THR A 44 10.705 -8.493 3.720 1.00 0.48 C ATOM 652 C THR A 44 9.923 -8.191 2.441 1.00 0.43 C ATOM 653 O THR A 44 8.771 -8.601 2.302 1.00 0.39 O ATOM 654 CB THR A 44 11.306 -9.900 3.748 1.00 0.56 C ATOM 655 OG1 THR A 44 10.298 -10.696 4.365 1.00 0.56 O ATOM 656 CG2 THR A 44 12.500 -10.008 4.698 1.00 0.67 C ATOM 0 H THR A 44 9.051 -8.986 4.910 1.00 0.43 H new ATOM 0 HA THR A 44 11.524 -7.774 3.740 1.00 0.48 H new ATOM 0 HB THR A 44 11.616 -10.182 2.742 1.00 0.56 H new ATOM 0 HG1 THR A 44 10.604 -11.625 4.422 1.00 0.56 H new ATOM 0 HG21 THR A 44 12.888 -11.026 4.680 1.00 0.67 H new ATOM 0 HG22 THR A 44 13.281 -9.316 4.381 1.00 0.67 H new ATOM 0 HG23 THR A 44 12.183 -9.759 5.711 1.00 0.67 H new ATOM 664 N GLU A 45 10.579 -7.477 1.538 1.00 0.55 N ATOM 665 CA GLU A 45 9.959 -7.116 0.275 1.00 0.54 C ATOM 666 C GLU A 45 9.389 -8.359 -0.411 1.00 0.53 C ATOM 667 O GLU A 45 8.522 -8.251 -1.277 1.00 0.54 O ATOM 668 CB GLU A 45 10.954 -6.394 -0.637 1.00 0.55 C ATOM 669 CG GLU A 45 12.098 -7.324 -1.046 1.00 0.56 C ATOM 670 CD GLU A 45 12.773 -6.833 -2.328 1.00 1.63 C ATOM 671 OE1 GLU A 45 12.025 -6.407 -3.235 1.00 3.06 O ATOM 672 OE2 GLU A 45 14.020 -6.894 -2.372 1.00 2.23 O ATOM 0 H GLU A 45 11.534 -7.139 1.656 1.00 0.55 H new ATOM 0 HA GLU A 45 9.138 -6.429 0.479 1.00 0.54 H new ATOM 0 HB2 GLU A 45 10.440 -6.031 -1.527 1.00 0.55 H new ATOM 0 HB3 GLU A 45 11.356 -5.521 -0.123 1.00 0.55 H new ATOM 0 HG2 GLU A 45 12.832 -7.378 -0.242 1.00 0.56 H new ATOM 0 HG3 GLU A 45 11.715 -8.333 -1.196 1.00 0.56 H new ATOM 679 N ALA A 46 9.899 -9.510 0.001 1.00 0.54 N ATOM 680 CA ALA A 46 9.451 -10.772 -0.562 1.00 0.55 C ATOM 681 C ALA A 46 8.021 -11.055 -0.096 1.00 0.55 C ATOM 682 O ALA A 46 7.111 -11.182 -0.914 1.00 0.59 O ATOM 683 CB ALA A 46 10.424 -11.883 -0.165 1.00 0.57 C ATOM 0 H ALA A 46 10.619 -9.595 0.719 1.00 0.54 H new ATOM 0 HA ALA A 46 9.439 -10.723 -1.651 1.00 0.55 H new ATOM 0 HB1 ALA A 46 10.087 -12.830 -0.588 1.00 0.57 H new ATOM 0 HB2 ALA A 46 11.418 -11.649 -0.545 1.00 0.57 H new ATOM 0 HB3 ALA A 46 10.461 -11.963 0.921 1.00 0.57 H new ATOM 689 N GLU A 47 7.868 -11.146 1.217 1.00 0.52 N ATOM 690 CA GLU A 47 6.564 -11.411 1.801 1.00 0.53 C ATOM 691 C GLU A 47 5.520 -10.453 1.227 1.00 0.47 C ATOM 692 O GLU A 47 4.412 -10.867 0.887 1.00 0.44 O ATOM 693 CB GLU A 47 6.618 -11.314 3.327 1.00 0.62 C ATOM 694 CG GLU A 47 7.047 -12.645 3.947 1.00 0.65 C ATOM 695 CD GLU A 47 5.849 -13.580 4.123 1.00 0.79 C ATOM 696 OE1 GLU A 47 5.135 -13.403 5.134 1.00 1.60 O ATOM 697 OE2 GLU A 47 5.673 -14.449 3.242 1.00 1.49 O ATOM 0 H GLU A 47 8.625 -11.041 1.893 1.00 0.52 H new ATOM 0 HA GLU A 47 6.272 -12.429 1.544 1.00 0.53 H new ATOM 0 HB2 GLU A 47 7.316 -10.530 3.620 1.00 0.62 H new ATOM 0 HB3 GLU A 47 5.639 -11.029 3.712 1.00 0.62 H new ATOM 0 HG2 GLU A 47 7.794 -13.121 3.313 1.00 0.65 H new ATOM 0 HG3 GLU A 47 7.517 -12.465 4.914 1.00 0.65 H new ATOM 704 N LEU A 48 5.909 -9.189 1.136 1.00 0.47 N ATOM 705 CA LEU A 48 5.019 -8.169 0.609 1.00 0.44 C ATOM 706 C LEU A 48 4.840 -8.382 -0.896 1.00 0.39 C ATOM 707 O LEU A 48 3.814 -8.007 -1.462 1.00 0.35 O ATOM 708 CB LEU A 48 5.529 -6.773 0.975 1.00 0.48 C ATOM 709 CG LEU A 48 5.342 -6.353 2.434 1.00 0.46 C ATOM 710 CD1 LEU A 48 3.865 -6.111 2.751 1.00 0.61 C ATOM 711 CD2 LEU A 48 5.972 -7.374 3.383 1.00 0.44 C ATOM 0 H LEU A 48 6.828 -8.849 1.418 1.00 0.47 H new ATOM 0 HA LEU A 48 4.032 -8.253 1.063 1.00 0.44 H new ATOM 0 HB2 LEU A 48 6.591 -6.721 0.736 1.00 0.48 H new ATOM 0 HB3 LEU A 48 5.024 -6.045 0.340 1.00 0.48 H new ATOM 0 HG LEU A 48 5.862 -5.407 2.586 1.00 0.46 H new ATOM 0 HD11 LEU A 48 3.761 -5.814 3.794 1.00 0.61 H new ATOM 0 HD12 LEU A 48 3.480 -5.320 2.108 1.00 0.61 H new ATOM 0 HD13 LEU A 48 3.301 -7.027 2.577 1.00 0.61 H new ATOM 0 HD21 LEU A 48 5.825 -7.052 4.414 1.00 0.44 H new ATOM 0 HD22 LEU A 48 5.501 -8.346 3.236 1.00 0.44 H new ATOM 0 HD23 LEU A 48 7.039 -7.453 3.176 1.00 0.44 H new ATOM 723 N GLN A 49 5.853 -8.985 -1.501 1.00 0.42 N ATOM 724 CA GLN A 49 5.820 -9.253 -2.928 1.00 0.39 C ATOM 725 C GLN A 49 4.532 -9.990 -3.300 1.00 0.35 C ATOM 726 O GLN A 49 3.951 -9.738 -4.354 1.00 0.32 O ATOM 727 CB GLN A 49 7.053 -10.047 -3.366 1.00 0.44 C ATOM 728 CG GLN A 49 7.266 -9.940 -4.877 1.00 0.49 C ATOM 729 CD GLN A 49 8.498 -10.736 -5.314 1.00 0.56 C ATOM 730 OE1 GLN A 49 8.822 -11.777 -4.768 1.00 1.14 O ATOM 731 NE2 GLN A 49 9.163 -10.188 -6.327 1.00 1.66 N ATOM 0 H GLN A 49 6.702 -9.296 -1.028 1.00 0.42 H new ATOM 0 HA GLN A 49 5.836 -8.300 -3.457 1.00 0.39 H new ATOM 0 HB2 GLN A 49 7.934 -9.674 -2.844 1.00 0.44 H new ATOM 0 HB3 GLN A 49 6.935 -11.094 -3.085 1.00 0.44 H new ATOM 0 HG2 GLN A 49 6.384 -10.311 -5.399 1.00 0.49 H new ATOM 0 HG3 GLN A 49 7.386 -8.894 -5.158 1.00 0.49 H new ATOM 0 HE21 GLN A 49 8.836 -9.314 -6.738 1.00 1.66 H new ATOM 0 HE22 GLN A 49 10.000 -10.642 -6.693 1.00 1.66 H new ATOM 740 N ASP A 50 4.125 -10.887 -2.414 1.00 0.36 N ATOM 741 CA ASP A 50 2.917 -11.663 -2.636 1.00 0.36 C ATOM 742 C ASP A 50 1.697 -10.750 -2.497 1.00 0.33 C ATOM 743 O ASP A 50 0.686 -10.953 -3.168 1.00 0.33 O ATOM 744 CB ASP A 50 2.787 -12.787 -1.606 1.00 0.42 C ATOM 745 CG ASP A 50 1.601 -13.729 -1.823 1.00 0.57 C ATOM 746 OD1 ASP A 50 1.355 -14.069 -3.000 1.00 1.65 O ATOM 747 OD2 ASP A 50 0.968 -14.088 -0.806 1.00 1.77 O ATOM 0 H ASP A 50 4.610 -11.094 -1.541 1.00 0.36 H new ATOM 0 HA ASP A 50 2.972 -12.095 -3.635 1.00 0.36 H new ATOM 0 HB2 ASP A 50 3.705 -13.375 -1.614 1.00 0.42 H new ATOM 0 HB3 ASP A 50 2.702 -12.343 -0.614 1.00 0.42 H new ATOM 752 N MET A 51 1.832 -9.765 -1.621 1.00 0.36 N ATOM 753 CA MET A 51 0.753 -8.821 -1.386 1.00 0.38 C ATOM 754 C MET A 51 0.564 -7.893 -2.588 1.00 0.36 C ATOM 755 O MET A 51 -0.516 -7.846 -3.176 1.00 0.37 O ATOM 756 CB MET A 51 1.067 -7.986 -0.142 1.00 0.44 C ATOM 757 CG MET A 51 1.107 -8.864 1.111 1.00 0.58 C ATOM 758 SD MET A 51 -0.310 -8.521 2.141 1.00 1.19 S ATOM 759 CE MET A 51 0.167 -9.392 3.624 1.00 2.29 C ATOM 0 H MET A 51 2.672 -9.600 -1.066 1.00 0.36 H new ATOM 0 HA MET A 51 -0.169 -9.383 -1.235 1.00 0.38 H new ATOM 0 HB2 MET A 51 2.026 -7.483 -0.269 1.00 0.44 H new ATOM 0 HB3 MET A 51 0.313 -7.208 -0.022 1.00 0.44 H new ATOM 0 HG2 MET A 51 1.115 -9.916 0.828 1.00 0.58 H new ATOM 0 HG3 MET A 51 2.025 -8.677 1.667 1.00 0.58 H new ATOM 0 HE1 MET A 51 -0.612 -9.281 4.378 1.00 2.29 H new ATOM 0 HE2 MET A 51 0.304 -10.449 3.397 1.00 2.29 H new ATOM 0 HE3 MET A 51 1.101 -8.979 4.004 1.00 2.29 H new ATOM 769 N ILE A 52 1.630 -7.179 -2.918 1.00 0.35 N ATOM 770 CA ILE A 52 1.595 -6.256 -4.039 1.00 0.35 C ATOM 771 C ILE A 52 1.005 -6.966 -5.260 1.00 0.31 C ATOM 772 O ILE A 52 0.145 -6.417 -5.946 1.00 0.29 O ATOM 773 CB ILE A 52 2.982 -5.659 -4.286 1.00 0.37 C ATOM 774 CG1 ILE A 52 4.028 -6.760 -4.471 1.00 0.33 C ATOM 775 CG2 ILE A 52 3.365 -4.686 -3.169 1.00 0.49 C ATOM 776 CD1 ILE A 52 4.109 -7.198 -5.935 1.00 0.31 C ATOM 0 H ILE A 52 2.524 -7.221 -2.428 1.00 0.35 H new ATOM 0 HA ILE A 52 0.945 -5.410 -3.816 1.00 0.35 H new ATOM 0 HB ILE A 52 2.949 -5.088 -5.214 1.00 0.37 H new ATOM 0 HG12 ILE A 52 5.002 -6.400 -4.141 1.00 0.33 H new ATOM 0 HG13 ILE A 52 3.775 -7.616 -3.845 1.00 0.33 H new ATOM 0 HG21 ILE A 52 4.355 -4.275 -3.368 1.00 0.49 H new ATOM 0 HG22 ILE A 52 2.637 -3.875 -3.127 1.00 0.49 H new ATOM 0 HG23 ILE A 52 3.376 -5.213 -2.215 1.00 0.49 H new ATOM 0 HD11 ILE A 52 4.860 -7.981 -6.039 1.00 0.31 H new ATOM 0 HD12 ILE A 52 3.139 -7.580 -6.255 1.00 0.31 H new ATOM 0 HD13 ILE A 52 4.386 -6.345 -6.555 1.00 0.31 H new ATOM 788 N ASN A 53 1.492 -8.176 -5.494 1.00 0.36 N ATOM 789 CA ASN A 53 1.024 -8.966 -6.620 1.00 0.37 C ATOM 790 C ASN A 53 -0.458 -9.293 -6.427 1.00 0.35 C ATOM 791 O ASN A 53 -1.212 -9.367 -7.396 1.00 0.36 O ATOM 792 CB ASN A 53 1.790 -10.287 -6.721 1.00 0.47 C ATOM 793 CG ASN A 53 2.316 -10.508 -8.141 1.00 1.08 C ATOM 794 OD1 ASN A 53 1.953 -9.818 -9.079 1.00 1.56 O ATOM 795 ND2 ASN A 53 3.188 -11.506 -8.245 1.00 1.54 N ATOM 0 H ASN A 53 2.206 -8.628 -4.923 1.00 0.36 H new ATOM 0 HA ASN A 53 1.183 -8.386 -7.529 1.00 0.37 H new ATOM 0 HB2 ASN A 53 2.622 -10.284 -6.017 1.00 0.47 H new ATOM 0 HB3 ASN A 53 1.137 -11.113 -6.438 1.00 0.47 H new ATOM 0 HD21 ASN A 53 3.597 -11.734 -9.151 1.00 1.54 H new ATOM 0 HD22 ASN A 53 3.448 -12.044 -7.418 1.00 1.54 H new ATOM 802 N GLU A 54 -0.832 -9.479 -5.170 1.00 0.38 N ATOM 803 CA GLU A 54 -2.211 -9.795 -4.838 1.00 0.43 C ATOM 804 C GLU A 54 -3.105 -8.574 -5.062 1.00 0.40 C ATOM 805 O GLU A 54 -4.037 -8.622 -5.863 1.00 0.45 O ATOM 806 CB GLU A 54 -2.326 -10.302 -3.399 1.00 0.50 C ATOM 807 CG GLU A 54 -3.788 -10.539 -3.016 1.00 0.53 C ATOM 808 CD GLU A 54 -4.212 -11.974 -3.337 1.00 0.83 C ATOM 809 OE1 GLU A 54 -4.247 -12.300 -4.543 1.00 2.29 O ATOM 810 OE2 GLU A 54 -4.493 -12.713 -2.368 1.00 1.70 O ATOM 0 H GLU A 54 -0.204 -9.417 -4.369 1.00 0.38 H new ATOM 0 HA GLU A 54 -2.549 -10.594 -5.498 1.00 0.43 H new ATOM 0 HB2 GLU A 54 -1.763 -11.229 -3.290 1.00 0.50 H new ATOM 0 HB3 GLU A 54 -1.881 -9.577 -2.718 1.00 0.50 H new ATOM 0 HG2 GLU A 54 -3.925 -10.344 -1.952 1.00 0.53 H new ATOM 0 HG3 GLU A 54 -4.427 -9.838 -3.553 1.00 0.53 H new ATOM 817 N VAL A 55 -2.788 -7.508 -4.341 1.00 0.35 N ATOM 818 CA VAL A 55 -3.551 -6.277 -4.452 1.00 0.38 C ATOM 819 C VAL A 55 -3.586 -5.833 -5.916 1.00 0.39 C ATOM 820 O VAL A 55 -4.652 -5.543 -6.455 1.00 0.63 O ATOM 821 CB VAL A 55 -2.968 -5.214 -3.518 1.00 0.36 C ATOM 822 CG1 VAL A 55 -2.885 -5.732 -2.081 1.00 0.38 C ATOM 823 CG2 VAL A 55 -1.598 -4.744 -4.011 1.00 0.34 C ATOM 0 H VAL A 55 -2.013 -7.472 -3.678 1.00 0.35 H new ATOM 0 HA VAL A 55 -4.582 -6.437 -4.137 1.00 0.38 H new ATOM 0 HB VAL A 55 -3.640 -4.356 -3.526 1.00 0.36 H new ATOM 0 HG11 VAL A 55 -2.467 -4.957 -1.438 1.00 0.38 H new ATOM 0 HG12 VAL A 55 -3.883 -5.995 -1.731 1.00 0.38 H new ATOM 0 HG13 VAL A 55 -2.245 -6.614 -2.049 1.00 0.38 H new ATOM 0 HG21 VAL A 55 -1.206 -3.989 -3.330 1.00 0.34 H new ATOM 0 HG22 VAL A 55 -0.914 -5.592 -4.046 1.00 0.34 H new ATOM 0 HG23 VAL A 55 -1.697 -4.316 -5.009 1.00 0.34 H new ATOM 833 N ASP A 56 -2.406 -5.794 -6.517 1.00 0.26 N ATOM 834 CA ASP A 56 -2.287 -5.391 -7.908 1.00 0.29 C ATOM 835 C ASP A 56 -3.245 -6.226 -8.760 1.00 0.32 C ATOM 836 O ASP A 56 -2.999 -7.408 -8.998 1.00 0.41 O ATOM 837 CB ASP A 56 -0.868 -5.620 -8.429 1.00 0.41 C ATOM 838 CG ASP A 56 -0.592 -5.058 -9.825 1.00 0.65 C ATOM 839 OD1 ASP A 56 -1.123 -5.650 -10.790 1.00 1.20 O ATOM 840 OD2 ASP A 56 0.142 -4.049 -9.896 1.00 0.77 O ATOM 0 H ASP A 56 -1.523 -6.035 -6.066 1.00 0.26 H new ATOM 0 HA ASP A 56 -2.527 -4.330 -7.973 1.00 0.29 H new ATOM 0 HB2 ASP A 56 -0.163 -5.173 -7.728 1.00 0.41 H new ATOM 0 HB3 ASP A 56 -0.670 -6.692 -8.440 1.00 0.41 H new ATOM 845 N ALA A 57 -4.316 -5.580 -9.196 1.00 0.52 N ATOM 846 CA ALA A 57 -5.311 -6.249 -10.016 1.00 0.70 C ATOM 847 C ALA A 57 -4.888 -6.177 -11.484 1.00 0.88 C ATOM 848 O ALA A 57 -4.756 -7.204 -12.148 1.00 1.05 O ATOM 849 CB ALA A 57 -6.683 -5.616 -9.773 1.00 0.83 C ATOM 0 H ALA A 57 -4.517 -4.600 -8.997 1.00 0.52 H new ATOM 0 HA ALA A 57 -5.385 -7.302 -9.746 1.00 0.70 H new ATOM 0 HB1 ALA A 57 -7.430 -6.118 -10.388 1.00 0.83 H new ATOM 0 HB2 ALA A 57 -6.950 -5.720 -8.721 1.00 0.83 H new ATOM 0 HB3 ALA A 57 -6.648 -4.559 -10.036 1.00 0.83 H new ATOM 855 N ASP A 58 -4.686 -4.952 -11.949 1.00 0.95 N ATOM 856 CA ASP A 58 -4.280 -4.733 -13.327 1.00 1.15 C ATOM 857 C ASP A 58 -3.295 -5.826 -13.745 1.00 1.16 C ATOM 858 O ASP A 58 -3.290 -6.255 -14.897 1.00 1.40 O ATOM 859 CB ASP A 58 -3.582 -3.381 -13.487 1.00 1.19 C ATOM 860 CG ASP A 58 -3.138 -2.724 -12.178 1.00 1.09 C ATOM 861 OD1 ASP A 58 -3.972 -1.998 -11.596 1.00 2.17 O ATOM 862 OD2 ASP A 58 -1.974 -2.963 -11.790 1.00 1.35 O ATOM 0 H ASP A 58 -4.796 -4.102 -11.396 1.00 0.95 H new ATOM 0 HA ASP A 58 -5.175 -4.753 -13.949 1.00 1.15 H new ATOM 0 HB2 ASP A 58 -2.708 -3.513 -14.124 1.00 1.19 H new ATOM 0 HB3 ASP A 58 -4.256 -2.700 -14.007 1.00 1.19 H new ATOM 867 N GLY A 59 -2.484 -6.245 -12.784 1.00 0.96 N ATOM 868 CA GLY A 59 -1.496 -7.280 -13.038 1.00 1.05 C ATOM 869 C GLY A 59 -0.177 -6.673 -13.520 1.00 0.98 C ATOM 870 O GLY A 59 0.051 -6.550 -14.723 1.00 1.53 O ATOM 0 H GLY A 59 -2.491 -5.887 -11.829 1.00 0.96 H new ATOM 0 HA2 GLY A 59 -1.325 -7.855 -12.128 1.00 1.05 H new ATOM 0 HA3 GLY A 59 -1.876 -7.974 -13.787 1.00 1.05 H new ATOM 874 N ASP A 60 0.657 -6.309 -12.557 1.00 0.50 N ATOM 875 CA ASP A 60 1.947 -5.718 -12.869 1.00 0.45 C ATOM 876 C ASP A 60 2.940 -6.052 -11.753 1.00 0.43 C ATOM 877 O ASP A 60 4.009 -6.603 -12.013 1.00 0.57 O ATOM 878 CB ASP A 60 1.845 -4.195 -12.970 1.00 0.50 C ATOM 879 CG ASP A 60 0.460 -3.618 -12.670 1.00 1.10 C ATOM 880 OD1 ASP A 60 -0.507 -4.117 -13.285 1.00 2.77 O ATOM 881 OD2 ASP A 60 0.400 -2.692 -11.833 1.00 0.94 O ATOM 0 H ASP A 60 0.465 -6.412 -11.561 1.00 0.50 H new ATOM 0 HA ASP A 60 2.280 -6.122 -13.825 1.00 0.45 H new ATOM 0 HB2 ASP A 60 2.564 -3.751 -12.281 1.00 0.50 H new ATOM 0 HB3 ASP A 60 2.138 -3.892 -13.975 1.00 0.50 H new ATOM 886 N GLY A 61 2.550 -5.705 -10.535 1.00 0.39 N ATOM 887 CA GLY A 61 3.392 -5.962 -9.379 1.00 0.48 C ATOM 888 C GLY A 61 3.745 -4.659 -8.658 1.00 0.61 C ATOM 889 O GLY A 61 4.884 -4.468 -8.235 1.00 1.33 O ATOM 0 H GLY A 61 1.663 -5.248 -10.324 1.00 0.39 H new ATOM 0 HA2 GLY A 61 2.878 -6.634 -8.692 1.00 0.48 H new ATOM 0 HA3 GLY A 61 4.305 -6.466 -9.695 1.00 0.48 H new ATOM 893 N THR A 62 2.746 -3.797 -8.539 1.00 0.36 N ATOM 894 CA THR A 62 2.936 -2.518 -7.876 1.00 0.35 C ATOM 895 C THR A 62 1.652 -2.093 -7.160 1.00 0.29 C ATOM 896 O THR A 62 0.559 -2.511 -7.538 1.00 0.31 O ATOM 897 CB THR A 62 3.411 -1.509 -8.923 1.00 0.46 C ATOM 898 OG1 THR A 62 4.563 -2.120 -9.497 1.00 0.56 O ATOM 899 CG2 THR A 62 3.946 -0.221 -8.294 1.00 0.55 C ATOM 0 H THR A 62 1.802 -3.959 -8.891 1.00 0.36 H new ATOM 0 HA THR A 62 3.697 -2.584 -7.099 1.00 0.35 H new ATOM 0 HB THR A 62 2.588 -1.269 -9.596 1.00 0.46 H new ATOM 0 HG1 THR A 62 4.950 -2.754 -8.858 1.00 0.56 H new ATOM 0 HG21 THR A 62 4.270 0.461 -9.080 1.00 0.55 H new ATOM 0 HG22 THR A 62 3.159 0.251 -7.706 1.00 0.55 H new ATOM 0 HG23 THR A 62 4.791 -0.456 -7.647 1.00 0.55 H new ATOM 907 N ILE A 63 1.828 -1.266 -6.139 1.00 0.34 N ATOM 908 CA ILE A 63 0.698 -0.780 -5.367 1.00 0.35 C ATOM 909 C ILE A 63 0.134 0.477 -6.033 1.00 0.37 C ATOM 910 O ILE A 63 0.798 1.095 -6.864 1.00 0.59 O ATOM 911 CB ILE A 63 1.097 -0.573 -3.904 1.00 0.46 C ATOM 912 CG1 ILE A 63 1.660 -1.863 -3.303 1.00 0.55 C ATOM 913 CG2 ILE A 63 -0.075 -0.024 -3.089 1.00 0.70 C ATOM 914 CD1 ILE A 63 1.298 -1.980 -1.821 1.00 0.60 C ATOM 0 H ILE A 63 2.736 -0.921 -5.829 1.00 0.34 H new ATOM 0 HA ILE A 63 -0.101 -1.521 -5.354 1.00 0.35 H new ATOM 0 HB ILE A 63 1.891 0.173 -3.867 1.00 0.46 H new ATOM 0 HG12 ILE A 63 1.268 -2.723 -3.846 1.00 0.55 H new ATOM 0 HG13 ILE A 63 2.744 -1.880 -3.419 1.00 0.55 H new ATOM 0 HG21 ILE A 63 0.235 0.114 -2.053 1.00 0.70 H new ATOM 0 HG22 ILE A 63 -0.390 0.933 -3.504 1.00 0.70 H new ATOM 0 HG23 ILE A 63 -0.907 -0.728 -3.128 1.00 0.70 H new ATOM 0 HD11 ILE A 63 1.710 -2.905 -1.418 1.00 0.60 H new ATOM 0 HD12 ILE A 63 1.712 -1.131 -1.277 1.00 0.60 H new ATOM 0 HD13 ILE A 63 0.214 -1.987 -1.711 1.00 0.60 H new ATOM 926 N ASP A 64 -1.086 0.817 -5.644 1.00 0.47 N ATOM 927 CA ASP A 64 -1.748 1.988 -6.194 1.00 0.64 C ATOM 928 C ASP A 64 -2.729 2.547 -5.161 1.00 0.62 C ATOM 929 O ASP A 64 -3.216 1.813 -4.302 1.00 0.79 O ATOM 930 CB ASP A 64 -2.539 1.634 -7.454 1.00 0.86 C ATOM 931 CG ASP A 64 -2.651 2.759 -8.485 1.00 1.39 C ATOM 932 OD1 ASP A 64 -1.662 3.513 -8.612 1.00 1.93 O ATOM 933 OD2 ASP A 64 -3.722 2.838 -9.124 1.00 2.86 O ATOM 0 H ASP A 64 -1.634 0.302 -4.954 1.00 0.47 H new ATOM 0 HA ASP A 64 -0.981 2.721 -6.444 1.00 0.64 H new ATOM 0 HB2 ASP A 64 -2.070 0.772 -7.929 1.00 0.86 H new ATOM 0 HB3 ASP A 64 -3.544 1.329 -7.160 1.00 0.86 H new ATOM 938 N PHE A 65 -2.989 3.840 -5.278 1.00 0.51 N ATOM 939 CA PHE A 65 -3.903 4.505 -4.365 1.00 0.52 C ATOM 940 C PHE A 65 -5.210 3.721 -4.230 1.00 0.51 C ATOM 941 O PHE A 65 -5.689 3.493 -3.120 1.00 0.51 O ATOM 942 CB PHE A 65 -4.208 5.881 -4.960 1.00 0.55 C ATOM 943 CG PHE A 65 -4.395 6.984 -3.915 1.00 0.83 C ATOM 944 CD1 PHE A 65 -3.596 7.020 -2.815 1.00 0.63 C ATOM 945 CD2 PHE A 65 -5.359 7.927 -4.087 1.00 2.09 C ATOM 946 CE1 PHE A 65 -3.770 8.043 -1.845 1.00 0.60 C ATOM 947 CE2 PHE A 65 -5.533 8.950 -3.118 1.00 2.43 C ATOM 948 CZ PHE A 65 -4.734 8.986 -2.017 1.00 1.47 C ATOM 0 H PHE A 65 -2.583 4.446 -5.991 1.00 0.51 H new ATOM 0 HA PHE A 65 -3.451 4.580 -3.376 1.00 0.52 H new ATOM 0 HB2 PHE A 65 -3.396 6.164 -5.630 1.00 0.55 H new ATOM 0 HB3 PHE A 65 -5.112 5.811 -5.565 1.00 0.55 H new ATOM 0 HD1 PHE A 65 -2.830 6.271 -2.679 1.00 0.63 H new ATOM 0 HD2 PHE A 65 -5.993 7.898 -4.961 1.00 2.09 H new ATOM 0 HE1 PHE A 65 -3.136 8.072 -0.971 1.00 0.60 H new ATOM 0 HE2 PHE A 65 -6.299 9.699 -3.255 1.00 2.43 H new ATOM 0 HZ PHE A 65 -4.866 9.764 -1.280 1.00 1.47 H new ATOM 958 N PRO A 66 -5.764 3.319 -5.405 1.00 0.53 N ATOM 959 CA PRO A 66 -7.005 2.565 -5.428 1.00 0.56 C ATOM 960 C PRO A 66 -6.774 1.114 -5.002 1.00 0.59 C ATOM 961 O PRO A 66 -7.661 0.484 -4.427 1.00 0.70 O ATOM 962 CB PRO A 66 -7.515 2.691 -6.855 1.00 0.61 C ATOM 963 CG PRO A 66 -6.317 3.114 -7.690 1.00 0.59 C ATOM 964 CD PRO A 66 -5.224 3.571 -6.738 1.00 0.55 C ATOM 0 HA PRO A 66 -7.741 2.946 -4.720 1.00 0.56 H new ATOM 0 HB2 PRO A 66 -7.923 1.744 -7.209 1.00 0.61 H new ATOM 0 HB3 PRO A 66 -8.316 3.427 -6.920 1.00 0.61 H new ATOM 0 HG2 PRO A 66 -5.967 2.284 -8.303 1.00 0.59 H new ATOM 0 HG3 PRO A 66 -6.592 3.920 -8.371 1.00 0.59 H new ATOM 0 HD2 PRO A 66 -4.299 3.018 -6.902 1.00 0.55 H new ATOM 0 HD3 PRO A 66 -4.993 4.627 -6.878 1.00 0.55 H new ATOM 972 N GLU A 67 -5.578 0.627 -5.298 1.00 0.57 N ATOM 973 CA GLU A 67 -5.219 -0.738 -4.953 1.00 0.61 C ATOM 974 C GLU A 67 -5.008 -0.865 -3.443 1.00 0.56 C ATOM 975 O GLU A 67 -5.699 -1.636 -2.778 1.00 0.66 O ATOM 976 CB GLU A 67 -3.975 -1.188 -5.720 1.00 0.64 C ATOM 977 CG GLU A 67 -4.316 -1.516 -7.175 1.00 0.70 C ATOM 978 CD GLU A 67 -3.047 -1.661 -8.017 1.00 0.57 C ATOM 979 OE1 GLU A 67 -2.011 -2.030 -7.423 1.00 1.63 O ATOM 980 OE2 GLU A 67 -3.142 -1.399 -9.235 1.00 1.59 O ATOM 0 H GLU A 67 -4.845 1.154 -5.773 1.00 0.57 H new ATOM 0 HA GLU A 67 -6.040 -1.394 -5.242 1.00 0.61 H new ATOM 0 HB2 GLU A 67 -3.220 -0.403 -5.688 1.00 0.64 H new ATOM 0 HB3 GLU A 67 -3.543 -2.065 -5.237 1.00 0.64 H new ATOM 0 HG2 GLU A 67 -4.892 -2.440 -7.218 1.00 0.70 H new ATOM 0 HG3 GLU A 67 -4.945 -0.729 -7.591 1.00 0.70 H new ATOM 987 N PHE A 68 -4.051 -0.096 -2.944 1.00 0.47 N ATOM 988 CA PHE A 68 -3.741 -0.113 -1.525 1.00 0.44 C ATOM 989 C PHE A 68 -5.009 0.048 -0.684 1.00 0.48 C ATOM 990 O PHE A 68 -5.283 -0.769 0.194 1.00 0.49 O ATOM 991 CB PHE A 68 -2.812 1.073 -1.256 1.00 0.39 C ATOM 992 CG PHE A 68 -1.831 0.846 -0.104 1.00 0.56 C ATOM 993 CD1 PHE A 68 -1.233 -0.366 0.051 1.00 1.31 C ATOM 994 CD2 PHE A 68 -1.556 1.856 0.764 1.00 0.32 C ATOM 995 CE1 PHE A 68 -0.322 -0.576 1.120 1.00 1.61 C ATOM 996 CE2 PHE A 68 -0.645 1.645 1.833 1.00 0.46 C ATOM 997 CZ PHE A 68 -0.048 0.434 1.988 1.00 1.14 C ATOM 0 H PHE A 68 -3.480 0.543 -3.498 1.00 0.47 H new ATOM 0 HA PHE A 68 -3.278 -1.063 -1.257 1.00 0.44 H new ATOM 0 HB2 PHE A 68 -2.248 1.292 -2.162 1.00 0.39 H new ATOM 0 HB3 PHE A 68 -3.417 1.953 -1.037 1.00 0.39 H new ATOM 0 HD1 PHE A 68 -1.451 -1.168 -0.639 1.00 1.31 H new ATOM 0 HD2 PHE A 68 -2.030 2.818 0.641 1.00 0.32 H new ATOM 0 HE1 PHE A 68 0.153 -1.538 1.243 1.00 1.61 H new ATOM 0 HE2 PHE A 68 -0.427 2.447 2.523 1.00 0.46 H new ATOM 0 HZ PHE A 68 0.644 0.274 2.801 1.00 1.14 H new ATOM 1007 N LEU A 69 -5.749 1.105 -0.983 1.00 0.60 N ATOM 1008 CA LEU A 69 -6.982 1.383 -0.266 1.00 0.68 C ATOM 1009 C LEU A 69 -7.857 0.128 -0.260 1.00 0.43 C ATOM 1010 O LEU A 69 -8.407 -0.244 0.775 1.00 0.45 O ATOM 1011 CB LEU A 69 -7.676 2.615 -0.851 1.00 0.98 C ATOM 1012 CG LEU A 69 -8.796 2.339 -1.856 1.00 0.99 C ATOM 1013 CD1 LEU A 69 -10.098 1.972 -1.139 1.00 1.74 C ATOM 1014 CD2 LEU A 69 -8.981 3.521 -2.809 1.00 1.85 C ATOM 0 H LEU A 69 -5.519 1.780 -1.712 1.00 0.60 H new ATOM 0 HA LEU A 69 -6.771 1.629 0.775 1.00 0.68 H new ATOM 0 HB2 LEU A 69 -8.088 3.200 -0.029 1.00 0.98 H new ATOM 0 HB3 LEU A 69 -6.923 3.235 -1.337 1.00 0.98 H new ATOM 0 HG LEU A 69 -8.508 1.479 -2.461 1.00 0.99 H new ATOM 0 HD11 LEU A 69 -10.878 1.781 -1.876 1.00 1.74 H new ATOM 0 HD12 LEU A 69 -9.942 1.078 -0.536 1.00 1.74 H new ATOM 0 HD13 LEU A 69 -10.403 2.796 -0.494 1.00 1.74 H new ATOM 0 HD21 LEU A 69 -9.783 3.299 -3.513 1.00 1.85 H new ATOM 0 HD22 LEU A 69 -9.237 4.413 -2.237 1.00 1.85 H new ATOM 0 HD23 LEU A 69 -8.055 3.695 -3.357 1.00 1.85 H new ATOM 1026 N THR A 70 -7.959 -0.489 -1.428 1.00 0.43 N ATOM 1027 CA THR A 70 -8.758 -1.694 -1.570 1.00 0.53 C ATOM 1028 C THR A 70 -8.169 -2.827 -0.727 1.00 0.57 C ATOM 1029 O THR A 70 -8.902 -3.550 -0.055 1.00 0.77 O ATOM 1030 CB THR A 70 -8.847 -2.029 -3.060 1.00 0.78 C ATOM 1031 OG1 THR A 70 -9.733 -1.044 -3.585 1.00 0.98 O ATOM 1032 CG2 THR A 70 -9.566 -3.354 -3.321 1.00 1.06 C ATOM 0 H THR A 70 -7.502 -0.177 -2.285 1.00 0.43 H new ATOM 0 HA THR A 70 -9.770 -1.544 -1.194 1.00 0.53 H new ATOM 0 HB THR A 70 -7.843 -2.072 -3.483 1.00 0.78 H new ATOM 0 HG1 THR A 70 -9.213 -0.314 -3.981 1.00 0.98 H new ATOM 0 HG21 THR A 70 -9.601 -3.544 -4.394 1.00 1.06 H new ATOM 0 HG22 THR A 70 -9.028 -4.163 -2.827 1.00 1.06 H new ATOM 0 HG23 THR A 70 -10.581 -3.300 -2.928 1.00 1.06 H new ATOM 1040 N MET A 71 -6.851 -2.946 -0.791 1.00 0.53 N ATOM 1041 CA MET A 71 -6.156 -3.978 -0.041 1.00 0.74 C ATOM 1042 C MET A 71 -6.518 -3.916 1.444 1.00 0.83 C ATOM 1043 O MET A 71 -7.051 -4.876 1.997 1.00 1.03 O ATOM 1044 CB MET A 71 -4.645 -3.800 -0.207 1.00 0.78 C ATOM 1045 CG MET A 71 -3.878 -4.677 0.784 1.00 0.91 C ATOM 1046 SD MET A 71 -4.499 -6.349 0.728 1.00 3.38 S ATOM 1047 CE MET A 71 -3.634 -7.048 2.125 1.00 3.42 C ATOM 0 H MET A 71 -6.246 -2.345 -1.351 1.00 0.53 H new ATOM 0 HA MET A 71 -6.461 -4.950 -0.429 1.00 0.74 H new ATOM 0 HB2 MET A 71 -4.355 -4.057 -1.226 1.00 0.78 H new ATOM 0 HB3 MET A 71 -4.379 -2.754 -0.054 1.00 0.78 H new ATOM 0 HG2 MET A 71 -2.815 -4.667 0.544 1.00 0.91 H new ATOM 0 HG3 MET A 71 -3.981 -4.276 1.792 1.00 0.91 H new ATOM 0 HE1 MET A 71 -3.839 -8.117 2.182 1.00 3.42 H new ATOM 0 HE2 MET A 71 -2.562 -6.890 2.005 1.00 3.42 H new ATOM 0 HE3 MET A 71 -3.972 -6.564 3.041 1.00 3.42 H new ATOM 1057 N MET A 72 -6.213 -2.776 2.047 1.00 0.77 N ATOM 1058 CA MET A 72 -6.500 -2.576 3.457 1.00 0.93 C ATOM 1059 C MET A 72 -7.987 -2.785 3.750 1.00 0.86 C ATOM 1060 O MET A 72 -8.349 -3.633 4.564 1.00 1.04 O ATOM 1061 CB MET A 72 -6.094 -1.158 3.864 1.00 0.97 C ATOM 1062 CG MET A 72 -5.880 -1.062 5.376 1.00 1.76 C ATOM 1063 SD MET A 72 -7.448 -1.167 6.223 1.00 3.37 S ATOM 1064 CE MET A 72 -6.899 -1.744 7.820 1.00 4.05 C ATOM 0 H MET A 72 -5.770 -1.982 1.585 1.00 0.77 H new ATOM 0 HA MET A 72 -5.930 -3.306 4.031 1.00 0.93 H new ATOM 0 HB2 MET A 72 -5.178 -0.875 3.345 1.00 0.97 H new ATOM 0 HB3 MET A 72 -6.866 -0.452 3.557 1.00 0.97 H new ATOM 0 HG2 MET A 72 -5.222 -1.865 5.710 1.00 1.76 H new ATOM 0 HG3 MET A 72 -5.386 -0.122 5.623 1.00 1.76 H new ATOM 0 HE1 MET A 72 -7.759 -1.865 8.479 1.00 4.05 H new ATOM 0 HE2 MET A 72 -6.392 -2.702 7.706 1.00 4.05 H new ATOM 0 HE3 MET A 72 -6.210 -1.018 8.252 1.00 4.05 H new ATOM 1074 N ALA A 73 -8.807 -1.998 3.070 1.00 0.63 N ATOM 1075 CA ALA A 73 -10.247 -2.087 3.246 1.00 0.61 C ATOM 1076 C ALA A 73 -10.674 -3.555 3.192 1.00 0.83 C ATOM 1077 O ALA A 73 -11.313 -4.054 4.118 1.00 1.02 O ATOM 1078 CB ALA A 73 -10.945 -1.237 2.183 1.00 0.47 C ATOM 0 H ALA A 73 -8.502 -1.296 2.396 1.00 0.63 H new ATOM 0 HA ALA A 73 -10.539 -1.695 4.220 1.00 0.61 H new ATOM 0 HB1 ALA A 73 -12.025 -1.304 2.315 1.00 0.47 H new ATOM 0 HB2 ALA A 73 -10.631 -0.198 2.284 1.00 0.47 H new ATOM 0 HB3 ALA A 73 -10.677 -1.602 1.192 1.00 0.47 H new ATOM 1084 N ARG A 74 -10.303 -4.206 2.100 1.00 0.89 N ATOM 1085 CA ARG A 74 -10.639 -5.608 1.913 1.00 1.19 C ATOM 1086 C ARG A 74 -10.014 -6.456 3.023 1.00 1.39 C ATOM 1087 O ARG A 74 -10.579 -7.472 3.425 1.00 1.67 O ATOM 1088 CB ARG A 74 -10.150 -6.115 0.555 1.00 1.28 C ATOM 1089 CG ARG A 74 -10.993 -5.537 -0.583 1.00 1.27 C ATOM 1090 CD ARG A 74 -11.337 -6.615 -1.612 1.00 1.77 C ATOM 1091 NE ARG A 74 -10.155 -6.910 -2.452 1.00 2.65 N ATOM 1092 CZ ARG A 74 -10.215 -7.484 -3.661 1.00 3.68 C ATOM 1093 NH1 ARG A 74 -11.402 -7.828 -4.180 1.00 4.01 N ATOM 1094 NH2 ARG A 74 -9.090 -7.713 -4.351 1.00 5.19 N ATOM 0 H ARG A 74 -9.773 -3.789 1.335 1.00 0.89 H new ATOM 0 HA ARG A 74 -11.725 -5.697 1.951 1.00 1.19 H new ATOM 0 HB2 ARG A 74 -9.105 -5.839 0.415 1.00 1.28 H new ATOM 0 HB3 ARG A 74 -10.198 -7.204 0.531 1.00 1.28 H new ATOM 0 HG2 ARG A 74 -11.910 -5.108 -0.179 1.00 1.27 H new ATOM 0 HG3 ARG A 74 -10.449 -4.727 -1.068 1.00 1.27 H new ATOM 0 HD2 ARG A 74 -11.668 -7.521 -1.104 1.00 1.77 H new ATOM 0 HD3 ARG A 74 -12.164 -6.281 -2.238 1.00 1.77 H new ATOM 0 HE ARG A 74 -9.236 -6.660 -2.087 1.00 2.65 H new ATOM 0 HH11 ARG A 74 -12.258 -7.653 -3.655 1.00 4.01 H new ATOM 0 HH12 ARG A 74 -11.449 -8.265 -5.100 1.00 4.01 H new ATOM 0 HH21 ARG A 74 -8.187 -7.450 -3.956 1.00 5.19 H new ATOM 0 HH22 ARG A 74 -9.136 -8.150 -5.271 1.00 5.19 H new ATOM 1108 N LYS A 75 -8.857 -6.007 3.486 1.00 1.31 N ATOM 1109 CA LYS A 75 -8.149 -6.712 4.541 1.00 1.57 C ATOM 1110 C LYS A 75 -9.040 -6.791 5.782 1.00 1.59 C ATOM 1111 O LYS A 75 -9.353 -7.882 6.258 1.00 1.84 O ATOM 1112 CB LYS A 75 -6.789 -6.062 4.801 1.00 1.62 C ATOM 1113 CG LYS A 75 -5.870 -7.005 5.580 1.00 1.87 C ATOM 1114 CD LYS A 75 -5.439 -8.190 4.714 1.00 2.57 C ATOM 1115 CE LYS A 75 -6.213 -9.455 5.090 1.00 2.62 C ATOM 1116 NZ LYS A 75 -5.294 -10.489 5.614 1.00 3.07 N ATOM 0 H LYS A 75 -8.392 -5.164 3.150 1.00 1.31 H new ATOM 0 HA LYS A 75 -7.934 -7.736 4.237 1.00 1.57 H new ATOM 0 HB2 LYS A 75 -6.322 -5.795 3.853 1.00 1.62 H new ATOM 0 HB3 LYS A 75 -6.925 -5.137 5.361 1.00 1.62 H new ATOM 0 HG2 LYS A 75 -4.990 -6.461 5.922 1.00 1.87 H new ATOM 0 HG3 LYS A 75 -6.385 -7.368 6.469 1.00 1.87 H new ATOM 0 HD2 LYS A 75 -5.606 -7.956 3.663 1.00 2.57 H new ATOM 0 HD3 LYS A 75 -4.370 -8.364 4.836 1.00 2.57 H new ATOM 0 HE2 LYS A 75 -6.968 -9.217 5.840 1.00 2.62 H new ATOM 0 HE3 LYS A 75 -6.741 -9.838 4.217 1.00 2.62 H new ATOM 0 HZ1 LYS A 75 -5.836 -11.341 5.864 1.00 3.07 H new ATOM 0 HZ2 LYS A 75 -4.590 -10.728 4.887 1.00 3.07 H new ATOM 0 HZ3 LYS A 75 -4.809 -10.126 6.460 1.00 3.07 H new ATOM 1130 N MET A 76 -9.424 -5.621 6.272 1.00 1.35 N ATOM 1131 CA MET A 76 -10.273 -5.545 7.448 1.00 1.38 C ATOM 1132 C MET A 76 -11.604 -6.262 7.212 1.00 1.49 C ATOM 1133 O MET A 76 -12.273 -6.666 8.163 1.00 1.73 O ATOM 1134 CB MET A 76 -10.539 -4.077 7.792 1.00 1.16 C ATOM 1135 CG MET A 76 -11.386 -3.406 6.710 1.00 2.42 C ATOM 1136 SD MET A 76 -12.439 -2.164 7.442 1.00 2.66 S ATOM 1137 CE MET A 76 -13.571 -3.210 8.343 1.00 3.80 C ATOM 0 H MET A 76 -9.162 -4.718 5.876 1.00 1.35 H new ATOM 0 HA MET A 76 -9.759 -6.035 8.275 1.00 1.38 H new ATOM 0 HB2 MET A 76 -11.051 -4.012 8.752 1.00 1.16 H new ATOM 0 HB3 MET A 76 -9.592 -3.547 7.899 1.00 1.16 H new ATOM 0 HG2 MET A 76 -10.739 -2.950 5.961 1.00 2.42 H new ATOM 0 HG3 MET A 76 -11.992 -4.152 6.196 1.00 2.42 H new ATOM 0 HE1 MET A 76 -14.553 -2.739 8.377 1.00 3.80 H new ATOM 0 HE2 MET A 76 -13.649 -4.176 7.844 1.00 3.80 H new ATOM 0 HE3 MET A 76 -13.203 -3.355 9.359 1.00 3.80 H new ATOM 1147 N LYS A 77 -11.948 -6.400 5.940 1.00 1.41 N ATOM 1148 CA LYS A 77 -13.186 -7.062 5.567 1.00 1.62 C ATOM 1149 C LYS A 77 -13.153 -8.511 6.059 1.00 1.93 C ATOM 1150 O LYS A 77 -14.001 -8.921 6.850 1.00 2.20 O ATOM 1151 CB LYS A 77 -13.433 -6.929 4.064 1.00 1.54 C ATOM 1152 CG LYS A 77 -14.831 -6.372 3.785 1.00 1.86 C ATOM 1153 CD LYS A 77 -15.246 -6.632 2.335 1.00 2.19 C ATOM 1154 CE LYS A 77 -14.735 -5.523 1.412 1.00 2.68 C ATOM 1155 NZ LYS A 77 -15.029 -5.850 -0.001 1.00 3.90 N ATOM 0 H LYS A 77 -11.391 -6.064 5.155 1.00 1.41 H new ATOM 0 HA LYS A 77 -14.036 -6.580 6.050 1.00 1.62 H new ATOM 0 HB2 LYS A 77 -12.682 -6.272 3.625 1.00 1.54 H new ATOM 0 HB3 LYS A 77 -13.324 -7.903 3.586 1.00 1.54 H new ATOM 0 HG2 LYS A 77 -15.551 -6.832 4.461 1.00 1.86 H new ATOM 0 HG3 LYS A 77 -14.846 -5.301 3.985 1.00 1.86 H new ATOM 0 HD2 LYS A 77 -14.852 -7.594 2.007 1.00 2.19 H new ATOM 0 HD3 LYS A 77 -16.332 -6.693 2.269 1.00 2.19 H new ATOM 0 HE2 LYS A 77 -15.204 -4.576 1.678 1.00 2.68 H new ATOM 0 HE3 LYS A 77 -13.661 -5.396 1.546 1.00 2.68 H new ATOM 0 HZ1 LYS A 77 -14.676 -5.088 -0.614 1.00 3.90 H new ATOM 0 HZ2 LYS A 77 -14.561 -6.744 -0.255 1.00 3.90 H new ATOM 0 HZ3 LYS A 77 -16.056 -5.949 -0.128 1.00 3.90 H new ATOM 1169 N ASP A 78 -12.165 -9.245 5.570 1.00 1.98 N ATOM 1170 CA ASP A 78 -12.010 -10.639 5.950 1.00 2.37 C ATOM 1171 C ASP A 78 -11.973 -10.747 7.475 1.00 2.52 C ATOM 1172 O ASP A 78 -12.835 -11.385 8.077 1.00 2.80 O ATOM 1173 CB ASP A 78 -10.703 -11.217 5.403 1.00 2.53 C ATOM 1174 CG ASP A 78 -10.500 -12.712 5.658 1.00 2.85 C ATOM 1175 OD1 ASP A 78 -10.050 -13.041 6.777 1.00 3.24 O ATOM 1176 OD2 ASP A 78 -10.799 -13.492 4.728 1.00 3.65 O ATOM 0 H ASP A 78 -11.464 -8.901 4.914 1.00 1.98 H new ATOM 0 HA ASP A 78 -12.851 -11.196 5.538 1.00 2.37 H new ATOM 0 HB2 ASP A 78 -10.666 -11.039 4.328 1.00 2.53 H new ATOM 0 HB3 ASP A 78 -9.869 -10.672 5.845 1.00 2.53 H new ATOM 1181 N THR A 79 -10.965 -10.113 8.057 1.00 2.38 N ATOM 1182 CA THR A 79 -10.804 -10.130 9.501 1.00 2.52 C ATOM 1183 C THR A 79 -12.016 -9.489 10.180 1.00 2.43 C ATOM 1184 O THR A 79 -12.277 -9.737 11.356 1.00 2.57 O ATOM 1185 CB THR A 79 -9.482 -9.437 9.838 1.00 2.42 C ATOM 1186 OG1 THR A 79 -9.310 -9.676 11.232 1.00 2.82 O ATOM 1187 CG2 THR A 79 -9.575 -7.914 9.729 1.00 2.25 C ATOM 0 H THR A 79 -10.252 -9.584 7.555 1.00 2.38 H new ATOM 0 HA THR A 79 -10.759 -11.150 9.882 1.00 2.52 H new ATOM 0 HB THR A 79 -8.701 -9.801 9.171 1.00 2.42 H new ATOM 0 HG1 THR A 79 -8.475 -9.262 11.534 1.00 2.82 H new ATOM 0 HG21 THR A 79 -8.610 -7.472 9.978 1.00 2.25 H new ATOM 0 HG22 THR A 79 -9.848 -7.638 8.711 1.00 2.25 H new ATOM 0 HG23 THR A 79 -10.333 -7.545 10.420 1.00 2.25 H new TER 1195 THR A 79 HETATM 1196 CA CA A 80 7.568 5.727 -5.978 1.00 0.69 CA HETATM 1197 CA CA A 81 -0.288 -1.901 -9.888 1.00 0.62 CA