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 Set 1.1: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 LYS NZ :NH3+ -164:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -161:sc= -0.0442 (180deg=-0.476) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -5.51! C(o=-5.5!,f=-10!) 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+ 137:sc= -2! (180deg=-6.46!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 85:sc= 0.901 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc=-0.00257 X(o=-0.0026,f=-0.07) USER MOD Single : A 42 ASN : amide:sc= -0.85 X(o=-0.85,f=-0.63) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 49 GLN : amide:sc= -0.0199 X(o=-0.02,f=0) USER MOD Single : A 53 ASN : amide:sc= -2.09! C(o=-2.1!,f=-4.1!) USER MOD Single : A 62 THR OG1 : rot 180:sc= -1 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -145:sc= -0.213 (180deg=-0.941) USER MOD Single : A 72 MET CE :methyl -156:sc= -0.0325 (180deg=-0.785) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) 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 -19.410 5.831 -0.370 1.00 4.66 N ATOM 2 CA ALA A 1 -19.497 4.622 0.431 1.00 4.26 C ATOM 3 C ALA A 1 -19.988 4.980 1.835 1.00 3.27 C ATOM 4 O ALA A 1 -20.708 4.204 2.461 1.00 3.83 O ATOM 5 CB ALA A 1 -18.136 3.923 0.450 1.00 4.75 C ATOM 0 H1 ALA A 1 -19.395 5.579 -1.379 1.00 4.66 H new ATOM 0 H2 ALA A 1 -20.234 6.436 -0.176 1.00 4.66 H new ATOM 0 H3 ALA A 1 -18.539 6.345 -0.129 1.00 4.66 H new ATOM 0 HA ALA A 1 -20.215 3.926 -0.002 1.00 4.26 H new ATOM 0 HB1 ALA A 1 -18.201 3.016 1.051 1.00 4.75 H new ATOM 0 HB2 ALA A 1 -17.846 3.664 -0.568 1.00 4.75 H new ATOM 0 HB3 ALA A 1 -17.390 4.591 0.881 1.00 4.75 H new ATOM 11 N ASP A 2 -19.579 6.156 2.289 1.00 2.98 N ATOM 12 CA ASP A 2 -19.968 6.626 3.607 1.00 3.29 C ATOM 13 C ASP A 2 -19.791 5.493 4.621 1.00 2.69 C ATOM 14 O ASP A 2 -20.543 5.400 5.590 1.00 3.57 O ATOM 15 CB ASP A 2 -21.436 7.054 3.628 1.00 4.26 C ATOM 16 CG ASP A 2 -21.792 8.192 2.669 1.00 5.19 C ATOM 17 OD1 ASP A 2 -20.894 8.578 1.889 1.00 5.86 O ATOM 18 OD2 ASP A 2 -22.953 8.650 2.737 1.00 5.80 O ATOM 0 H ASP A 2 -18.982 6.797 1.767 1.00 2.98 H new ATOM 0 HA ASP A 2 -19.340 7.480 3.859 1.00 3.29 H new ATOM 0 HB2 ASP A 2 -22.054 6.189 3.387 1.00 4.26 H new ATOM 0 HB3 ASP A 2 -21.695 7.359 4.642 1.00 4.26 H new ATOM 23 N GLN A 3 -18.794 4.661 4.362 1.00 1.84 N ATOM 24 CA GLN A 3 -18.509 3.538 5.239 1.00 2.32 C ATOM 25 C GLN A 3 -17.184 3.760 5.972 1.00 2.08 C ATOM 26 O GLN A 3 -17.088 3.516 7.174 1.00 2.96 O ATOM 27 CB GLN A 3 -18.490 2.223 4.458 1.00 3.06 C ATOM 28 CG GLN A 3 -19.672 1.335 4.851 1.00 4.07 C ATOM 29 CD GLN A 3 -19.189 0.034 5.495 1.00 5.54 C ATOM 30 OE1 GLN A 3 -18.636 0.017 6.583 1.00 6.34 O ATOM 31 NE2 GLN A 3 -19.430 -1.053 4.767 1.00 6.33 N ATOM 0 H GLN A 3 -18.173 4.742 3.557 1.00 1.84 H new ATOM 0 HA GLN A 3 -19.305 3.470 5.980 1.00 2.32 H new ATOM 0 HB2 GLN A 3 -18.526 2.431 3.389 1.00 3.06 H new ATOM 0 HB3 GLN A 3 -17.555 1.696 4.649 1.00 3.06 H new ATOM 0 HG2 GLN A 3 -20.319 1.871 5.546 1.00 4.07 H new ATOM 0 HG3 GLN A 3 -20.270 1.108 3.969 1.00 4.07 H new ATOM 0 HE21 GLN A 3 -19.897 -0.969 3.864 1.00 6.33 H new ATOM 0 HE22 GLN A 3 -19.148 -1.971 5.112 1.00 6.33 H new ATOM 40 N LEU A 4 -16.197 4.220 5.218 1.00 1.25 N ATOM 41 CA LEU A 4 -14.882 4.477 5.781 1.00 1.10 C ATOM 42 C LEU A 4 -14.012 5.175 4.734 1.00 0.88 C ATOM 43 O LEU A 4 -13.264 6.097 5.057 1.00 0.94 O ATOM 44 CB LEU A 4 -14.271 3.185 6.327 1.00 1.43 C ATOM 45 CG LEU A 4 -13.556 2.298 5.306 1.00 0.79 C ATOM 46 CD1 LEU A 4 -12.043 2.520 5.352 1.00 1.90 C ATOM 47 CD2 LEU A 4 -13.926 0.827 5.504 1.00 2.22 C ATOM 0 H LEU A 4 -16.281 4.422 4.222 1.00 1.25 H new ATOM 0 HA LEU A 4 -14.957 5.151 6.634 1.00 1.10 H new ATOM 0 HB2 LEU A 4 -13.562 3.446 7.112 1.00 1.43 H new ATOM 0 HB3 LEU A 4 -15.064 2.601 6.794 1.00 1.43 H new ATOM 0 HG LEU A 4 -13.893 2.583 4.309 1.00 0.79 H new ATOM 0 HD11 LEU A 4 -11.558 1.878 4.617 1.00 1.90 H new ATOM 0 HD12 LEU A 4 -11.821 3.563 5.125 1.00 1.90 H new ATOM 0 HD13 LEU A 4 -11.670 2.278 6.347 1.00 1.90 H new ATOM 0 HD21 LEU A 4 -13.404 0.218 4.766 1.00 2.22 H new ATOM 0 HD22 LEU A 4 -13.636 0.510 6.506 1.00 2.22 H new ATOM 0 HD23 LEU A 4 -15.002 0.703 5.382 1.00 2.22 H new ATOM 59 N THR A 5 -14.137 4.708 3.500 1.00 0.92 N ATOM 60 CA THR A 5 -13.371 5.276 2.404 1.00 0.78 C ATOM 61 C THR A 5 -13.292 6.798 2.540 1.00 0.65 C ATOM 62 O THR A 5 -12.315 7.413 2.116 1.00 0.50 O ATOM 63 CB THR A 5 -14.010 4.816 1.092 1.00 0.96 C ATOM 64 OG1 THR A 5 -12.977 4.080 0.442 1.00 1.71 O ATOM 65 CG2 THR A 5 -14.295 5.979 0.140 1.00 1.52 C ATOM 0 H THR A 5 -14.757 3.943 3.235 1.00 0.92 H new ATOM 0 HA THR A 5 -12.339 4.926 2.420 1.00 0.78 H new ATOM 0 HB THR A 5 -14.939 4.287 1.307 1.00 0.96 H new ATOM 0 HG1 THR A 5 -13.306 3.743 -0.417 1.00 1.71 H new ATOM 0 HG21 THR A 5 -14.748 5.598 -0.775 1.00 1.52 H new ATOM 0 HG22 THR A 5 -14.978 6.681 0.618 1.00 1.52 H new ATOM 0 HG23 THR A 5 -13.362 6.488 -0.102 1.00 1.52 H new ATOM 73 N GLU A 6 -14.334 7.361 3.134 1.00 0.81 N ATOM 74 CA GLU A 6 -14.395 8.800 3.331 1.00 0.78 C ATOM 75 C GLU A 6 -13.264 9.257 4.255 1.00 0.61 C ATOM 76 O GLU A 6 -12.422 10.063 3.860 1.00 0.52 O ATOM 77 CB GLU A 6 -15.758 9.220 3.884 1.00 1.01 C ATOM 78 CG GLU A 6 -15.809 10.729 4.128 1.00 1.29 C ATOM 79 CD GLU A 6 -17.004 11.361 3.411 1.00 1.49 C ATOM 80 OE1 GLU A 6 -17.295 10.905 2.284 1.00 2.25 O ATOM 81 OE2 GLU A 6 -17.600 12.285 4.006 1.00 2.53 O ATOM 0 H GLU A 6 -15.142 6.847 3.485 1.00 0.81 H new ATOM 0 HA GLU A 6 -14.267 9.286 2.364 1.00 0.78 H new ATOM 0 HB2 GLU A 6 -16.542 8.935 3.183 1.00 1.01 H new ATOM 0 HB3 GLU A 6 -15.955 8.690 4.816 1.00 1.01 H new ATOM 0 HG2 GLU A 6 -15.877 10.926 5.198 1.00 1.29 H new ATOM 0 HG3 GLU A 6 -14.885 11.189 3.777 1.00 1.29 H new ATOM 88 N GLU A 7 -13.280 8.723 5.467 1.00 0.69 N ATOM 89 CA GLU A 7 -12.266 9.066 6.450 1.00 0.69 C ATOM 90 C GLU A 7 -10.924 8.437 6.070 1.00 0.61 C ATOM 91 O GLU A 7 -9.869 8.935 6.459 1.00 0.65 O ATOM 92 CB GLU A 7 -12.696 8.635 7.854 1.00 0.95 C ATOM 93 CG GLU A 7 -13.018 7.140 7.894 1.00 1.14 C ATOM 94 CD GLU A 7 -12.610 6.527 9.235 1.00 1.59 C ATOM 95 OE1 GLU A 7 -11.446 6.752 9.631 1.00 2.57 O ATOM 96 OE2 GLU A 7 -13.471 5.848 9.835 1.00 1.67 O ATOM 0 H GLU A 7 -13.979 8.055 5.791 1.00 0.69 H new ATOM 0 HA GLU A 7 -12.147 10.150 6.459 1.00 0.69 H new ATOM 0 HB2 GLU A 7 -11.902 8.859 8.566 1.00 0.95 H new ATOM 0 HB3 GLU A 7 -13.571 9.207 8.162 1.00 0.95 H new ATOM 0 HG2 GLU A 7 -14.085 6.990 7.731 1.00 1.14 H new ATOM 0 HG3 GLU A 7 -12.497 6.630 7.084 1.00 1.14 H new ATOM 103 N GLN A 8 -11.008 7.352 5.314 1.00 0.56 N ATOM 104 CA GLN A 8 -9.813 6.650 4.877 1.00 0.51 C ATOM 105 C GLN A 8 -9.059 7.482 3.838 1.00 0.45 C ATOM 106 O GLN A 8 -7.910 7.863 4.058 1.00 0.54 O ATOM 107 CB GLN A 8 -10.162 5.267 4.324 1.00 0.55 C ATOM 108 CG GLN A 8 -8.905 4.411 4.155 1.00 1.49 C ATOM 109 CD GLN A 8 -8.563 4.225 2.676 1.00 3.12 C ATOM 110 OE1 GLN A 8 -8.238 5.161 1.964 1.00 4.34 O ATOM 111 NE2 GLN A 8 -8.653 2.967 2.254 1.00 4.05 N ATOM 0 H GLN A 8 -11.885 6.942 4.993 1.00 0.56 H new ATOM 0 HA GLN A 8 -9.163 6.507 5.740 1.00 0.51 H new ATOM 0 HB2 GLN A 8 -10.859 4.767 4.997 1.00 0.55 H new ATOM 0 HB3 GLN A 8 -10.667 5.372 3.364 1.00 0.55 H new ATOM 0 HG2 GLN A 8 -8.068 4.883 4.669 1.00 1.49 H new ATOM 0 HG3 GLN A 8 -9.058 3.438 4.622 1.00 1.49 H new ATOM 0 HE21 GLN A 8 -8.931 2.230 2.902 1.00 4.05 H new ATOM 0 HE22 GLN A 8 -8.444 2.739 1.282 1.00 4.05 H new ATOM 120 N ILE A 9 -9.736 7.740 2.729 1.00 0.37 N ATOM 121 CA ILE A 9 -9.144 8.520 1.655 1.00 0.35 C ATOM 122 C ILE A 9 -8.612 9.838 2.221 1.00 0.33 C ATOM 123 O ILE A 9 -7.692 10.432 1.662 1.00 0.47 O ATOM 124 CB ILE A 9 -10.143 8.701 0.511 1.00 0.44 C ATOM 125 CG1 ILE A 9 -11.344 9.537 0.958 1.00 1.93 C ATOM 126 CG2 ILE A 9 -10.569 7.349 -0.065 1.00 2.37 C ATOM 127 CD1 ILE A 9 -11.143 11.014 0.611 1.00 3.45 C ATOM 0 H ILE A 9 -10.689 7.423 2.551 1.00 0.37 H new ATOM 0 HA ILE A 9 -8.294 7.991 1.224 1.00 0.35 H new ATOM 0 HB ILE A 9 -9.648 9.251 -0.290 1.00 0.44 H new ATOM 0 HG12 ILE A 9 -12.249 9.166 0.477 1.00 1.93 H new ATOM 0 HG13 ILE A 9 -11.487 9.428 2.033 1.00 1.93 H new ATOM 0 HG21 ILE A 9 -11.279 7.507 -0.877 1.00 2.37 H new ATOM 0 HG22 ILE A 9 -9.693 6.824 -0.446 1.00 2.37 H new ATOM 0 HG23 ILE A 9 -11.038 6.752 0.717 1.00 2.37 H new ATOM 0 HD11 ILE A 9 -12.011 11.586 0.939 1.00 3.45 H new ATOM 0 HD12 ILE A 9 -10.251 11.388 1.113 1.00 3.45 H new ATOM 0 HD13 ILE A 9 -11.024 11.122 -0.467 1.00 3.45 H new ATOM 139 N ALA A 10 -9.215 10.257 3.325 1.00 0.35 N ATOM 140 CA ALA A 10 -8.813 11.494 3.973 1.00 0.40 C ATOM 141 C ALA A 10 -7.350 11.386 4.407 1.00 0.44 C ATOM 142 O ALA A 10 -6.509 12.168 3.968 1.00 0.53 O ATOM 143 CB ALA A 10 -9.750 11.782 5.147 1.00 0.44 C ATOM 0 H ALA A 10 -9.978 9.762 3.786 1.00 0.35 H new ATOM 0 HA ALA A 10 -8.890 12.333 3.281 1.00 0.40 H new ATOM 0 HB1 ALA A 10 -9.449 12.710 5.634 1.00 0.44 H new ATOM 0 HB2 ALA A 10 -10.772 11.879 4.781 1.00 0.44 H new ATOM 0 HB3 ALA A 10 -9.697 10.963 5.864 1.00 0.44 H new ATOM 149 N GLU A 11 -7.092 10.409 5.265 1.00 0.53 N ATOM 150 CA GLU A 11 -5.745 10.188 5.763 1.00 0.67 C ATOM 151 C GLU A 11 -4.852 9.633 4.652 1.00 0.56 C ATOM 152 O GLU A 11 -3.725 10.091 4.469 1.00 0.61 O ATOM 153 CB GLU A 11 -5.755 9.256 6.976 1.00 0.89 C ATOM 154 CG GLU A 11 -5.779 10.054 8.282 1.00 1.27 C ATOM 155 CD GLU A 11 -6.323 9.205 9.433 1.00 1.62 C ATOM 156 OE1 GLU A 11 -7.489 8.771 9.317 1.00 2.06 O ATOM 157 OE2 GLU A 11 -5.559 9.009 10.403 1.00 2.60 O ATOM 0 H GLU A 11 -7.793 9.762 5.627 1.00 0.53 H new ATOM 0 HA GLU A 11 -5.336 11.146 6.085 1.00 0.67 H new ATOM 0 HB2 GLU A 11 -6.626 8.602 6.929 1.00 0.89 H new ATOM 0 HB3 GLU A 11 -4.874 8.615 6.954 1.00 0.89 H new ATOM 0 HG2 GLU A 11 -4.772 10.396 8.522 1.00 1.27 H new ATOM 0 HG3 GLU A 11 -6.397 10.943 8.158 1.00 1.27 H new ATOM 164 N PHE A 12 -5.389 8.654 3.939 1.00 0.49 N ATOM 165 CA PHE A 12 -4.655 8.032 2.851 1.00 0.45 C ATOM 166 C PHE A 12 -4.039 9.087 1.930 1.00 0.36 C ATOM 167 O PHE A 12 -2.978 8.866 1.349 1.00 0.41 O ATOM 168 CB PHE A 12 -5.660 7.199 2.052 1.00 0.50 C ATOM 169 CG PHE A 12 -5.617 5.702 2.366 1.00 0.75 C ATOM 170 CD1 PHE A 12 -5.607 5.279 3.658 1.00 1.03 C ATOM 171 CD2 PHE A 12 -5.589 4.796 1.353 1.00 1.22 C ATOM 172 CE1 PHE A 12 -5.568 3.890 3.950 1.00 1.29 C ATOM 173 CE2 PHE A 12 -5.550 3.406 1.644 1.00 1.62 C ATOM 174 CZ PHE A 12 -5.540 2.983 2.937 1.00 1.51 C ATOM 0 H PHE A 12 -6.324 8.276 4.094 1.00 0.49 H new ATOM 0 HA PHE A 12 -3.846 7.421 3.251 1.00 0.45 H new ATOM 0 HB2 PHE A 12 -6.665 7.573 2.250 1.00 0.50 H new ATOM 0 HB3 PHE A 12 -5.471 7.342 0.988 1.00 0.50 H new ATOM 0 HD1 PHE A 12 -5.629 5.999 4.462 1.00 1.03 H new ATOM 0 HD2 PHE A 12 -5.596 5.133 0.327 1.00 1.22 H new ATOM 0 HE1 PHE A 12 -5.561 3.554 4.976 1.00 1.29 H new ATOM 0 HE2 PHE A 12 -5.528 2.686 0.840 1.00 1.62 H new ATOM 0 HZ PHE A 12 -5.510 1.927 3.159 1.00 1.51 H new ATOM 184 N LYS A 13 -4.731 10.212 1.827 1.00 0.37 N ATOM 185 CA LYS A 13 -4.265 11.303 0.987 1.00 0.36 C ATOM 186 C LYS A 13 -2.888 11.762 1.472 1.00 0.40 C ATOM 187 O LYS A 13 -1.922 11.750 0.710 1.00 0.42 O ATOM 188 CB LYS A 13 -5.305 12.424 0.939 1.00 0.38 C ATOM 189 CG LYS A 13 -5.233 13.182 -0.388 1.00 0.57 C ATOM 190 CD LYS A 13 -6.603 13.744 -0.773 1.00 1.00 C ATOM 191 CE LYS A 13 -6.824 13.664 -2.284 1.00 1.30 C ATOM 192 NZ LYS A 13 -7.082 15.011 -2.843 1.00 2.03 N ATOM 0 H LYS A 13 -5.611 10.392 2.311 1.00 0.37 H new ATOM 0 HA LYS A 13 -4.145 10.967 -0.043 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -6.303 12.005 1.069 1.00 0.38 H new ATOM 0 HB3 LYS A 13 -5.139 13.115 1.766 1.00 0.38 H new ATOM 0 HG2 LYS A 13 -4.512 13.995 -0.308 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -4.876 12.515 -1.173 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -7.386 13.188 -0.258 1.00 1.00 H new ATOM 0 HD3 LYS A 13 -6.680 14.781 -0.445 1.00 1.00 H new ATOM 0 HE2 LYS A 13 -5.948 13.227 -2.763 1.00 1.30 H new ATOM 0 HE3 LYS A 13 -7.666 13.007 -2.500 1.00 1.30 H new ATOM 0 HZ1 LYS A 13 -7.230 14.938 -3.870 1.00 2.03 H new ATOM 0 HZ2 LYS A 13 -7.931 15.414 -2.399 1.00 2.03 H new ATOM 0 HZ3 LYS A 13 -6.266 15.628 -2.654 1.00 2.03 H new ATOM 206 N GLU A 14 -2.841 12.155 2.736 1.00 0.45 N ATOM 207 CA GLU A 14 -1.599 12.616 3.331 1.00 0.52 C ATOM 208 C GLU A 14 -0.641 11.441 3.539 1.00 0.51 C ATOM 209 O GLU A 14 0.567 11.579 3.351 1.00 0.56 O ATOM 210 CB GLU A 14 -1.861 13.350 4.648 1.00 0.66 C ATOM 211 CG GLU A 14 -0.552 13.831 5.277 1.00 1.67 C ATOM 212 CD GLU A 14 -0.495 13.473 6.764 1.00 2.78 C ATOM 213 OE1 GLU A 14 -0.899 12.337 7.090 1.00 4.20 O ATOM 214 OE2 GLU A 14 -0.048 14.345 7.541 1.00 2.98 O ATOM 0 H GLU A 14 -3.644 12.164 3.365 1.00 0.45 H new ATOM 0 HA GLU A 14 -1.132 13.323 2.646 1.00 0.52 H new ATOM 0 HB2 GLU A 14 -2.517 14.202 4.470 1.00 0.66 H new ATOM 0 HB3 GLU A 14 -2.380 12.687 5.341 1.00 0.66 H new ATOM 0 HG2 GLU A 14 0.293 13.379 4.758 1.00 1.67 H new ATOM 0 HG3 GLU A 14 -0.461 14.910 5.155 1.00 1.67 H new ATOM 221 N ALA A 15 -1.216 10.312 3.925 1.00 0.54 N ATOM 222 CA ALA A 15 -0.429 9.114 4.161 1.00 0.61 C ATOM 223 C ALA A 15 0.319 8.740 2.880 1.00 0.55 C ATOM 224 O ALA A 15 1.525 8.496 2.910 1.00 0.56 O ATOM 225 CB ALA A 15 -1.344 7.989 4.651 1.00 0.72 C ATOM 0 H ALA A 15 -2.218 10.201 4.080 1.00 0.54 H new ATOM 0 HA ALA A 15 0.315 9.291 4.938 1.00 0.61 H new ATOM 0 HB1 ALA A 15 -0.753 7.090 4.828 1.00 0.72 H new ATOM 0 HB2 ALA A 15 -1.829 8.293 5.579 1.00 0.72 H new ATOM 0 HB3 ALA A 15 -2.102 7.782 3.896 1.00 0.72 H new ATOM 231 N PHE A 16 -0.426 8.707 1.785 1.00 0.54 N ATOM 232 CA PHE A 16 0.152 8.368 0.496 1.00 0.57 C ATOM 233 C PHE A 16 1.571 8.924 0.368 1.00 0.51 C ATOM 234 O PHE A 16 2.494 8.202 -0.006 1.00 0.62 O ATOM 235 CB PHE A 16 -0.733 9.009 -0.574 1.00 0.65 C ATOM 236 CG PHE A 16 -0.034 9.214 -1.919 1.00 0.88 C ATOM 237 CD1 PHE A 16 0.050 8.185 -2.805 1.00 0.66 C ATOM 238 CD2 PHE A 16 0.504 10.424 -2.229 1.00 1.60 C ATOM 239 CE1 PHE A 16 0.699 8.375 -4.054 1.00 1.08 C ATOM 240 CE2 PHE A 16 1.153 10.614 -3.478 1.00 2.01 C ATOM 241 CZ PHE A 16 1.237 9.585 -4.364 1.00 1.71 C ATOM 0 H PHE A 16 -1.425 8.910 1.764 1.00 0.54 H new ATOM 0 HA PHE A 16 0.204 7.285 0.385 1.00 0.57 H new ATOM 0 HB2 PHE A 16 -1.613 8.384 -0.725 1.00 0.65 H new ATOM 0 HB3 PHE A 16 -1.086 9.973 -0.209 1.00 0.65 H new ATOM 0 HD1 PHE A 16 -0.377 7.224 -2.559 1.00 0.66 H new ATOM 0 HD2 PHE A 16 0.438 11.241 -1.525 1.00 1.60 H new ATOM 0 HE1 PHE A 16 0.765 7.558 -4.758 1.00 1.08 H new ATOM 0 HE2 PHE A 16 1.580 11.575 -3.724 1.00 2.01 H new ATOM 0 HZ PHE A 16 1.731 9.729 -5.314 1.00 1.71 H new ATOM 251 N SER A 17 1.702 10.204 0.686 1.00 0.44 N ATOM 252 CA SER A 17 2.993 10.866 0.611 1.00 0.44 C ATOM 253 C SER A 17 4.085 9.946 1.160 1.00 0.39 C ATOM 254 O SER A 17 5.146 9.806 0.554 1.00 0.39 O ATOM 255 CB SER A 17 2.979 12.190 1.379 1.00 0.50 C ATOM 256 OG SER A 17 4.276 12.774 1.459 1.00 1.42 O ATOM 0 H SER A 17 0.935 10.800 0.996 1.00 0.44 H new ATOM 0 HA SER A 17 3.204 11.086 -0.435 1.00 0.44 H new ATOM 0 HB2 SER A 17 2.298 12.886 0.890 1.00 0.50 H new ATOM 0 HB3 SER A 17 2.594 12.022 2.385 1.00 0.50 H new ATOM 0 HG SER A 17 4.225 13.618 1.955 1.00 1.42 H new ATOM 262 N LEU A 18 3.788 9.343 2.302 1.00 0.40 N ATOM 263 CA LEU A 18 4.732 8.440 2.939 1.00 0.40 C ATOM 264 C LEU A 18 4.849 7.162 2.107 1.00 0.41 C ATOM 265 O LEU A 18 5.932 6.826 1.629 1.00 0.48 O ATOM 266 CB LEU A 18 4.335 8.192 4.396 1.00 0.42 C ATOM 267 CG LEU A 18 4.425 9.400 5.331 1.00 0.45 C ATOM 268 CD1 LEU A 18 3.533 9.210 6.559 1.00 0.59 C ATOM 269 CD2 LEU A 18 5.877 9.688 5.717 1.00 0.45 C ATOM 0 H LEU A 18 2.907 9.462 2.803 1.00 0.40 H new ATOM 0 HA LEU A 18 5.725 8.889 2.975 1.00 0.40 H new ATOM 0 HB2 LEU A 18 3.311 7.819 4.414 1.00 0.42 H new ATOM 0 HB3 LEU A 18 4.970 7.401 4.795 1.00 0.42 H new ATOM 0 HG LEU A 18 4.055 10.274 4.796 1.00 0.45 H new ATOM 0 HD11 LEU A 18 3.615 10.083 7.207 1.00 0.59 H new ATOM 0 HD12 LEU A 18 2.497 9.090 6.241 1.00 0.59 H new ATOM 0 HD13 LEU A 18 3.850 8.321 7.105 1.00 0.59 H new ATOM 0 HD21 LEU A 18 5.912 10.551 6.382 1.00 0.45 H new ATOM 0 HD22 LEU A 18 6.297 8.820 6.226 1.00 0.45 H new ATOM 0 HD23 LEU A 18 6.458 9.898 4.819 1.00 0.45 H new ATOM 281 N PHE A 19 3.721 6.484 1.960 1.00 0.41 N ATOM 282 CA PHE A 19 3.684 5.249 1.194 1.00 0.46 C ATOM 283 C PHE A 19 4.421 5.408 -0.137 1.00 0.43 C ATOM 284 O PHE A 19 5.290 4.603 -0.469 1.00 0.53 O ATOM 285 CB PHE A 19 2.211 4.941 0.914 1.00 0.51 C ATOM 286 CG PHE A 19 1.423 4.498 2.148 1.00 0.94 C ATOM 287 CD1 PHE A 19 1.904 3.504 2.942 1.00 1.63 C ATOM 288 CD2 PHE A 19 0.240 5.098 2.451 1.00 2.06 C ATOM 289 CE1 PHE A 19 1.172 3.093 4.087 1.00 2.08 C ATOM 290 CE2 PHE A 19 -0.491 4.687 3.596 1.00 2.70 C ATOM 291 CZ PHE A 19 -0.010 3.693 4.390 1.00 2.34 C ATOM 0 H PHE A 19 2.825 6.766 2.358 1.00 0.41 H new ATOM 0 HA PHE A 19 4.168 4.449 1.754 1.00 0.46 H new ATOM 0 HB2 PHE A 19 1.738 5.828 0.493 1.00 0.51 H new ATOM 0 HB3 PHE A 19 2.151 4.159 0.157 1.00 0.51 H new ATOM 0 HD1 PHE A 19 2.843 3.027 2.702 1.00 1.63 H new ATOM 0 HD2 PHE A 19 -0.143 5.887 1.820 1.00 2.06 H new ATOM 0 HE1 PHE A 19 1.554 2.304 4.717 1.00 2.08 H new ATOM 0 HE2 PHE A 19 -1.430 5.164 3.837 1.00 2.70 H new ATOM 0 HZ PHE A 19 -0.567 3.380 5.261 1.00 2.34 H new ATOM 301 N ASP A 20 4.048 6.451 -0.863 1.00 0.50 N ATOM 302 CA ASP A 20 4.663 6.725 -2.151 1.00 0.57 C ATOM 303 C ASP A 20 5.902 7.599 -1.943 1.00 0.73 C ATOM 304 O ASP A 20 5.972 8.714 -2.458 1.00 1.32 O ATOM 305 CB ASP A 20 3.702 7.479 -3.072 1.00 0.84 C ATOM 306 CG ASP A 20 3.910 7.230 -4.567 1.00 0.90 C ATOM 307 OD1 ASP A 20 5.089 7.115 -4.964 1.00 0.78 O ATOM 308 OD2 ASP A 20 2.885 7.160 -5.279 1.00 1.57 O ATOM 0 H ASP A 20 3.327 7.117 -0.584 1.00 0.50 H new ATOM 0 HA ASP A 20 4.926 5.771 -2.609 1.00 0.57 H new ATOM 0 HB2 ASP A 20 2.680 7.202 -2.812 1.00 0.84 H new ATOM 0 HB3 ASP A 20 3.801 8.547 -2.880 1.00 0.84 H new ATOM 313 N LYS A 21 6.848 7.059 -1.189 1.00 0.76 N ATOM 314 CA LYS A 21 8.080 7.776 -0.907 1.00 1.07 C ATOM 315 C LYS A 21 8.845 8.001 -2.213 1.00 0.70 C ATOM 316 O LYS A 21 9.739 8.842 -2.276 1.00 0.81 O ATOM 317 CB LYS A 21 8.893 7.045 0.163 1.00 1.61 C ATOM 318 CG LYS A 21 9.178 5.601 -0.256 1.00 1.06 C ATOM 319 CD LYS A 21 9.114 4.658 0.946 1.00 1.19 C ATOM 320 CE LYS A 21 7.697 4.599 1.522 1.00 1.27 C ATOM 321 NZ LYS A 21 7.650 5.250 2.850 1.00 1.62 N ATOM 0 H LYS A 21 6.786 6.133 -0.765 1.00 0.76 H new ATOM 0 HA LYS A 21 7.861 8.760 -0.492 1.00 1.07 H new ATOM 0 HB2 LYS A 21 9.833 7.570 0.333 1.00 1.61 H new ATOM 0 HB3 LYS A 21 8.348 7.053 1.107 1.00 1.61 H new ATOM 0 HG2 LYS A 21 8.454 5.287 -1.008 1.00 1.06 H new ATOM 0 HG3 LYS A 21 10.163 5.541 -0.718 1.00 1.06 H new ATOM 0 HD2 LYS A 21 9.430 3.659 0.646 1.00 1.19 H new ATOM 0 HD3 LYS A 21 9.809 4.995 1.715 1.00 1.19 H new ATOM 0 HE2 LYS A 21 7.001 5.093 0.844 1.00 1.27 H new ATOM 0 HE3 LYS A 21 7.376 3.561 1.608 1.00 1.27 H new ATOM 0 HZ1 LYS A 21 6.796 5.840 2.917 1.00 1.62 H new ATOM 0 HZ2 LYS A 21 7.628 4.522 3.593 1.00 1.62 H new ATOM 0 HZ3 LYS A 21 8.493 5.846 2.974 1.00 1.62 H new ATOM 335 N ASP A 22 8.464 7.233 -3.224 1.00 0.84 N ATOM 336 CA ASP A 22 9.102 7.338 -4.525 1.00 0.73 C ATOM 337 C ASP A 22 8.739 8.682 -5.160 1.00 0.58 C ATOM 338 O ASP A 22 9.602 9.368 -5.705 1.00 0.91 O ATOM 339 CB ASP A 22 8.626 6.227 -5.463 1.00 0.99 C ATOM 340 CG ASP A 22 9.740 5.476 -6.194 1.00 1.30 C ATOM 341 OD1 ASP A 22 10.916 5.799 -5.922 1.00 2.08 O ATOM 342 OD2 ASP A 22 9.390 4.594 -7.009 1.00 1.59 O ATOM 0 H ASP A 22 7.722 6.536 -3.168 1.00 0.84 H new ATOM 0 HA ASP A 22 10.179 7.251 -4.380 1.00 0.73 H new ATOM 0 HB2 ASP A 22 8.043 5.509 -4.885 1.00 0.99 H new ATOM 0 HB3 ASP A 22 7.954 6.661 -6.204 1.00 0.99 H new ATOM 347 N GLY A 23 7.460 9.017 -5.069 1.00 0.48 N ATOM 348 CA GLY A 23 6.973 10.266 -5.627 1.00 0.59 C ATOM 349 C GLY A 23 6.660 10.115 -7.118 1.00 0.61 C ATOM 350 O GLY A 23 6.877 11.041 -7.898 1.00 0.87 O ATOM 0 H GLY A 23 6.747 8.445 -4.617 1.00 0.48 H new ATOM 0 HA2 GLY A 23 6.076 10.582 -5.094 1.00 0.59 H new ATOM 0 HA3 GLY A 23 7.720 11.047 -5.486 1.00 0.59 H new ATOM 354 N ASP A 24 6.156 8.941 -7.468 1.00 0.52 N ATOM 355 CA ASP A 24 5.811 8.657 -8.851 1.00 0.71 C ATOM 356 C ASP A 24 4.375 8.134 -8.917 1.00 0.88 C ATOM 357 O ASP A 24 3.945 7.622 -9.949 1.00 1.66 O ATOM 358 CB ASP A 24 6.732 7.587 -9.439 1.00 0.67 C ATOM 359 CG ASP A 24 7.012 6.398 -8.518 1.00 0.83 C ATOM 360 OD1 ASP A 24 6.225 6.221 -7.564 1.00 0.66 O ATOM 361 OD2 ASP A 24 8.008 5.692 -8.790 1.00 1.54 O ATOM 0 H ASP A 24 5.978 8.175 -6.818 1.00 0.52 H new ATOM 0 HA ASP A 24 5.919 9.579 -9.422 1.00 0.71 H new ATOM 0 HB2 ASP A 24 6.289 7.215 -10.363 1.00 0.67 H new ATOM 0 HB3 ASP A 24 7.681 8.052 -9.705 1.00 0.67 H new ATOM 366 N GLY A 25 3.674 8.280 -7.802 1.00 0.50 N ATOM 367 CA GLY A 25 2.295 7.829 -7.721 1.00 0.58 C ATOM 368 C GLY A 25 2.222 6.303 -7.640 1.00 0.57 C ATOM 369 O GLY A 25 1.134 5.731 -7.604 1.00 1.03 O ATOM 0 H GLY A 25 4.035 8.704 -6.948 1.00 0.50 H new ATOM 0 HA2 GLY A 25 1.816 8.267 -6.845 1.00 0.58 H new ATOM 0 HA3 GLY A 25 1.743 8.177 -8.594 1.00 0.58 H new ATOM 373 N THR A 26 3.395 5.687 -7.613 1.00 0.34 N ATOM 374 CA THR A 26 3.478 4.238 -7.537 1.00 0.41 C ATOM 375 C THR A 26 4.164 3.810 -6.238 1.00 0.34 C ATOM 376 O THR A 26 5.208 4.351 -5.876 1.00 0.42 O ATOM 377 CB THR A 26 4.193 3.738 -8.794 1.00 0.58 C ATOM 378 OG1 THR A 26 3.420 4.271 -9.867 1.00 1.61 O ATOM 379 CG2 THR A 26 4.079 2.223 -8.970 1.00 2.19 C ATOM 0 H THR A 26 4.296 6.165 -7.642 1.00 0.34 H new ATOM 0 HA THR A 26 2.486 3.787 -7.508 1.00 0.41 H new ATOM 0 HB THR A 26 5.245 4.019 -8.749 1.00 0.58 H new ATOM 0 HG1 THR A 26 3.814 3.997 -10.722 1.00 1.61 H new ATOM 0 HG21 THR A 26 4.603 1.922 -9.877 1.00 2.19 H new ATOM 0 HG22 THR A 26 4.524 1.722 -8.110 1.00 2.19 H new ATOM 0 HG23 THR A 26 3.028 1.944 -9.049 1.00 2.19 H new ATOM 387 N ILE A 27 3.549 2.844 -5.572 1.00 0.35 N ATOM 388 CA ILE A 27 4.087 2.338 -4.321 1.00 0.30 C ATOM 389 C ILE A 27 4.765 0.989 -4.571 1.00 0.31 C ATOM 390 O ILE A 27 4.154 -0.061 -4.382 1.00 0.45 O ATOM 391 CB ILE A 27 2.996 2.288 -3.250 1.00 0.31 C ATOM 392 CG1 ILE A 27 2.731 3.680 -2.672 1.00 0.40 C ATOM 393 CG2 ILE A 27 3.344 1.272 -2.160 1.00 0.34 C ATOM 394 CD1 ILE A 27 1.925 4.536 -3.652 1.00 0.66 C ATOM 0 H ILE A 27 2.683 2.398 -5.875 1.00 0.35 H new ATOM 0 HA ILE A 27 4.851 3.013 -3.934 1.00 0.30 H new ATOM 0 HB ILE A 27 2.071 1.953 -3.720 1.00 0.31 H new ATOM 0 HG12 ILE A 27 2.188 3.590 -1.731 1.00 0.40 H new ATOM 0 HG13 ILE A 27 3.678 4.171 -2.448 1.00 0.40 H new ATOM 0 HG21 ILE A 27 2.552 1.256 -1.411 1.00 0.34 H new ATOM 0 HG22 ILE A 27 3.443 0.282 -2.604 1.00 0.34 H new ATOM 0 HG23 ILE A 27 4.285 1.554 -1.687 1.00 0.34 H new ATOM 0 HD11 ILE A 27 1.750 5.520 -3.217 1.00 0.66 H new ATOM 0 HD12 ILE A 27 2.481 4.644 -4.583 1.00 0.66 H new ATOM 0 HD13 ILE A 27 0.969 4.054 -3.855 1.00 0.66 H new ATOM 406 N THR A 28 6.019 1.063 -4.993 1.00 0.27 N ATOM 407 CA THR A 28 6.787 -0.139 -5.271 1.00 0.32 C ATOM 408 C THR A 28 6.808 -1.054 -4.044 1.00 0.32 C ATOM 409 O THR A 28 6.788 -0.578 -2.910 1.00 0.34 O ATOM 410 CB THR A 28 8.181 0.287 -5.735 1.00 0.37 C ATOM 411 OG1 THR A 28 7.948 0.931 -6.985 1.00 0.45 O ATOM 412 CG2 THR A 28 9.069 -0.907 -6.091 1.00 0.43 C ATOM 0 H THR A 28 6.522 1.936 -5.149 1.00 0.27 H new ATOM 0 HA THR A 28 6.329 -0.726 -6.067 1.00 0.32 H new ATOM 0 HB THR A 28 8.660 0.876 -4.953 1.00 0.37 H new ATOM 0 HG1 THR A 28 8.800 1.241 -7.357 1.00 0.45 H new ATOM 0 HG21 THR A 28 10.047 -0.550 -6.414 1.00 0.43 H new ATOM 0 HG22 THR A 28 9.187 -1.546 -5.216 1.00 0.43 H new ATOM 0 HG23 THR A 28 8.607 -1.477 -6.897 1.00 0.43 H new ATOM 420 N THR A 29 6.848 -2.351 -4.313 1.00 0.37 N ATOM 421 CA THR A 29 6.873 -3.336 -3.246 1.00 0.44 C ATOM 422 C THR A 29 7.813 -2.886 -2.126 1.00 0.43 C ATOM 423 O THR A 29 7.472 -2.983 -0.948 1.00 0.46 O ATOM 424 CB THR A 29 7.257 -4.685 -3.857 1.00 0.54 C ATOM 425 OG1 THR A 29 8.580 -4.481 -4.344 1.00 0.56 O ATOM 426 CG2 THR A 29 6.444 -5.013 -5.111 1.00 0.58 C ATOM 0 H THR A 29 6.864 -2.742 -5.255 1.00 0.37 H new ATOM 0 HA THR A 29 5.893 -3.441 -2.781 1.00 0.44 H new ATOM 0 HB THR A 29 7.115 -5.472 -3.117 1.00 0.54 H new ATOM 0 HG1 THR A 29 8.908 -5.308 -4.755 1.00 0.56 H new ATOM 0 HG21 THR A 29 6.756 -5.980 -5.504 1.00 0.58 H new ATOM 0 HG22 THR A 29 5.384 -5.049 -4.859 1.00 0.58 H new ATOM 0 HG23 THR A 29 6.612 -4.244 -5.865 1.00 0.58 H new ATOM 434 N LYS A 30 8.978 -2.403 -2.533 1.00 0.47 N ATOM 435 CA LYS A 30 9.969 -1.938 -1.579 1.00 0.54 C ATOM 436 C LYS A 30 9.390 -0.772 -0.775 1.00 0.51 C ATOM 437 O LYS A 30 9.567 -0.703 0.441 1.00 0.56 O ATOM 438 CB LYS A 30 11.281 -1.602 -2.290 1.00 0.65 C ATOM 439 CG LYS A 30 11.226 -0.204 -2.911 1.00 1.19 C ATOM 440 CD LYS A 30 12.531 0.125 -3.639 1.00 1.41 C ATOM 441 CE LYS A 30 12.275 0.417 -5.119 1.00 2.34 C ATOM 442 NZ LYS A 30 13.496 0.954 -5.760 1.00 2.54 N ATOM 0 H LYS A 30 9.257 -2.324 -3.511 1.00 0.47 H new ATOM 0 HA LYS A 30 10.211 -2.727 -0.867 1.00 0.54 H new ATOM 0 HB2 LYS A 30 12.107 -1.657 -1.581 1.00 0.65 H new ATOM 0 HB3 LYS A 30 11.478 -2.341 -3.066 1.00 0.65 H new ATOM 0 HG2 LYS A 30 10.391 -0.145 -3.609 1.00 1.19 H new ATOM 0 HG3 LYS A 30 11.043 0.537 -2.132 1.00 1.19 H new ATOM 0 HD2 LYS A 30 13.005 0.988 -3.171 1.00 1.41 H new ATOM 0 HD3 LYS A 30 13.225 -0.710 -3.544 1.00 1.41 H new ATOM 0 HE2 LYS A 30 11.962 -0.495 -5.627 1.00 2.34 H new ATOM 0 HE3 LYS A 30 11.460 1.133 -5.219 1.00 2.34 H new ATOM 0 HZ1 LYS A 30 13.305 1.147 -6.764 1.00 2.54 H new ATOM 0 HZ2 LYS A 30 13.778 1.836 -5.286 1.00 2.54 H new ATOM 0 HZ3 LYS A 30 14.264 0.258 -5.681 1.00 2.54 H new ATOM 456 N GLU A 31 8.709 0.115 -1.485 1.00 0.48 N ATOM 457 CA GLU A 31 8.103 1.274 -0.853 1.00 0.50 C ATOM 458 C GLU A 31 7.026 0.833 0.140 1.00 0.42 C ATOM 459 O GLU A 31 6.781 1.511 1.137 1.00 0.47 O ATOM 460 CB GLU A 31 7.526 2.230 -1.899 1.00 0.56 C ATOM 461 CG GLU A 31 8.641 2.886 -2.716 1.00 0.74 C ATOM 462 CD GLU A 31 8.154 3.245 -4.121 1.00 0.92 C ATOM 463 OE1 GLU A 31 6.955 3.578 -4.238 1.00 1.67 O ATOM 464 OE2 GLU A 31 8.991 3.177 -5.047 1.00 2.13 O ATOM 0 H GLU A 31 8.563 0.054 -2.493 1.00 0.48 H new ATOM 0 HA GLU A 31 8.877 1.812 -0.305 1.00 0.50 H new ATOM 0 HB2 GLU A 31 6.855 1.686 -2.564 1.00 0.56 H new ATOM 0 HB3 GLU A 31 6.931 2.999 -1.406 1.00 0.56 H new ATOM 0 HG2 GLU A 31 8.989 3.785 -2.207 1.00 0.74 H new ATOM 0 HG3 GLU A 31 9.493 2.209 -2.785 1.00 0.74 H new ATOM 471 N LEU A 32 6.411 -0.299 -0.167 1.00 0.34 N ATOM 472 CA LEU A 32 5.365 -0.838 0.687 1.00 0.33 C ATOM 473 C LEU A 32 5.959 -1.192 2.052 1.00 0.42 C ATOM 474 O LEU A 32 5.447 -0.766 3.085 1.00 0.54 O ATOM 475 CB LEU A 32 4.663 -2.010 -0.001 1.00 0.30 C ATOM 476 CG LEU A 32 3.656 -2.784 0.853 1.00 0.40 C ATOM 477 CD1 LEU A 32 2.896 -3.810 0.010 1.00 1.60 C ATOM 478 CD2 LEU A 32 4.342 -3.428 2.059 1.00 1.61 C ATOM 0 H LEU A 32 6.616 -0.858 -0.995 1.00 0.34 H new ATOM 0 HA LEU A 32 4.591 -0.090 0.860 1.00 0.33 H new ATOM 0 HB2 LEU A 32 4.146 -1.631 -0.883 1.00 0.30 H new ATOM 0 HB3 LEU A 32 5.423 -2.708 -0.352 1.00 0.30 H new ATOM 0 HG LEU A 32 2.921 -2.078 1.239 1.00 0.40 H new ATOM 0 HD11 LEU A 32 2.187 -4.346 0.641 1.00 1.60 H new ATOM 0 HD12 LEU A 32 2.357 -3.298 -0.787 1.00 1.60 H new ATOM 0 HD13 LEU A 32 3.602 -4.518 -0.425 1.00 1.60 H new ATOM 0 HD21 LEU A 32 3.605 -3.972 2.649 1.00 1.61 H new ATOM 0 HD22 LEU A 32 5.112 -4.119 1.714 1.00 1.61 H new ATOM 0 HD23 LEU A 32 4.799 -2.653 2.674 1.00 1.61 H new ATOM 490 N GLY A 33 7.031 -1.970 2.011 1.00 0.45 N ATOM 491 CA GLY A 33 7.700 -2.386 3.232 1.00 0.61 C ATOM 492 C GLY A 33 8.315 -1.187 3.957 1.00 0.65 C ATOM 493 O GLY A 33 8.276 -1.112 5.184 1.00 1.01 O ATOM 0 H GLY A 33 7.453 -2.323 1.152 1.00 0.45 H new ATOM 0 HA2 GLY A 33 6.988 -2.886 3.888 1.00 0.61 H new ATOM 0 HA3 GLY A 33 8.479 -3.111 2.995 1.00 0.61 H new ATOM 497 N THR A 34 8.868 -0.278 3.167 1.00 0.40 N ATOM 498 CA THR A 34 9.490 0.913 3.718 1.00 0.43 C ATOM 499 C THR A 34 8.640 1.480 4.857 1.00 0.43 C ATOM 500 O THR A 34 9.133 1.676 5.967 1.00 0.53 O ATOM 501 CB THR A 34 9.711 1.904 2.573 1.00 0.49 C ATOM 502 OG1 THR A 34 10.547 1.199 1.660 1.00 0.59 O ATOM 503 CG2 THR A 34 10.554 3.109 2.996 1.00 0.46 C ATOM 0 H THR A 34 8.898 -0.343 2.150 1.00 0.40 H new ATOM 0 HA THR A 34 10.459 0.684 4.161 1.00 0.43 H new ATOM 0 HB THR A 34 8.746 2.249 2.200 1.00 0.49 H new ATOM 0 HG1 THR A 34 9.993 0.649 1.067 1.00 0.59 H new ATOM 0 HG21 THR A 34 10.681 3.781 2.147 1.00 0.46 H new ATOM 0 HG22 THR A 34 10.052 3.638 3.806 1.00 0.46 H new ATOM 0 HG23 THR A 34 11.531 2.768 3.337 1.00 0.46 H new ATOM 511 N VAL A 35 7.377 1.729 4.543 1.00 0.43 N ATOM 512 CA VAL A 35 6.454 2.269 5.526 1.00 0.49 C ATOM 513 C VAL A 35 6.304 1.275 6.679 1.00 0.45 C ATOM 514 O VAL A 35 6.552 1.617 7.834 1.00 0.52 O ATOM 515 CB VAL A 35 5.121 2.615 4.858 1.00 0.59 C ATOM 516 CG1 VAL A 35 4.234 3.434 5.797 1.00 1.67 C ATOM 517 CG2 VAL A 35 5.346 3.352 3.536 1.00 1.20 C ATOM 0 H VAL A 35 6.971 1.567 3.621 1.00 0.43 H new ATOM 0 HA VAL A 35 6.843 3.197 5.945 1.00 0.49 H new ATOM 0 HB VAL A 35 4.604 1.681 4.638 1.00 0.59 H new ATOM 0 HG11 VAL A 35 3.293 3.667 5.298 1.00 1.67 H new ATOM 0 HG12 VAL A 35 4.033 2.859 6.701 1.00 1.67 H new ATOM 0 HG13 VAL A 35 4.743 4.361 6.062 1.00 1.67 H new ATOM 0 HG21 VAL A 35 4.383 3.586 3.082 1.00 1.20 H new ATOM 0 HG22 VAL A 35 5.893 4.276 3.723 1.00 1.20 H new ATOM 0 HG23 VAL A 35 5.922 2.720 2.860 1.00 1.20 H new ATOM 527 N MET A 36 5.898 0.064 6.326 1.00 0.44 N ATOM 528 CA MET A 36 5.712 -0.982 7.317 1.00 0.43 C ATOM 529 C MET A 36 6.749 -0.867 8.436 1.00 0.45 C ATOM 530 O MET A 36 6.396 -0.846 9.614 1.00 0.51 O ATOM 531 CB MET A 36 5.836 -2.350 6.644 1.00 0.49 C ATOM 532 CG MET A 36 4.689 -2.582 5.658 1.00 0.55 C ATOM 533 SD MET A 36 3.237 -3.143 6.532 1.00 0.60 S ATOM 534 CE MET A 36 2.146 -1.762 6.238 1.00 2.05 C ATOM 0 H MET A 36 5.693 -0.216 5.367 1.00 0.44 H new ATOM 0 HA MET A 36 4.720 -0.871 7.754 1.00 0.43 H new ATOM 0 HB2 MET A 36 6.790 -2.416 6.120 1.00 0.49 H new ATOM 0 HB3 MET A 36 5.833 -3.134 7.402 1.00 0.49 H new ATOM 0 HG2 MET A 36 4.467 -1.659 5.122 1.00 0.55 H new ATOM 0 HG3 MET A 36 4.983 -3.321 4.913 1.00 0.55 H new ATOM 0 HE1 MET A 36 1.186 -1.948 6.719 1.00 2.05 H new ATOM 0 HE2 MET A 36 2.588 -0.855 6.650 1.00 2.05 H new ATOM 0 HE3 MET A 36 1.997 -1.638 5.165 1.00 2.05 H new ATOM 544 N ARG A 37 8.008 -0.797 8.028 1.00 0.52 N ATOM 545 CA ARG A 37 9.098 -0.685 8.982 1.00 0.63 C ATOM 546 C ARG A 37 8.833 0.462 9.960 1.00 0.77 C ATOM 547 O ARG A 37 8.783 0.251 11.170 1.00 1.05 O ATOM 548 CB ARG A 37 10.430 -0.441 8.269 1.00 0.85 C ATOM 549 CG ARG A 37 10.875 -1.684 7.497 1.00 1.36 C ATOM 550 CD ARG A 37 11.061 -1.370 6.011 1.00 2.40 C ATOM 551 NE ARG A 37 12.440 -0.893 5.764 1.00 2.23 N ATOM 552 CZ ARG A 37 13.487 -1.702 5.552 1.00 3.30 C ATOM 553 NH1 ARG A 37 13.319 -3.031 5.557 1.00 4.85 N ATOM 554 NH2 ARG A 37 14.703 -1.181 5.336 1.00 3.61 N ATOM 0 H ARG A 37 8.297 -0.816 7.050 1.00 0.52 H new ATOM 0 HA ARG A 37 9.158 -1.626 9.529 1.00 0.63 H new ATOM 0 HB2 ARG A 37 10.331 0.401 7.584 1.00 0.85 H new ATOM 0 HB3 ARG A 37 11.193 -0.170 8.999 1.00 0.85 H new ATOM 0 HG2 ARG A 37 11.810 -2.059 7.913 1.00 1.36 H new ATOM 0 HG3 ARG A 37 10.134 -2.474 7.615 1.00 1.36 H new ATOM 0 HD2 ARG A 37 10.863 -2.261 5.415 1.00 2.40 H new ATOM 0 HD3 ARG A 37 10.343 -0.611 5.698 1.00 2.40 H new ATOM 0 HE ARG A 37 12.604 0.114 5.755 1.00 2.23 H new ATOM 0 HH11 ARG A 37 12.394 -3.427 5.722 1.00 4.85 H new ATOM 0 HH12 ARG A 37 14.116 -3.646 5.396 1.00 4.85 H new ATOM 0 HH21 ARG A 37 14.831 -0.169 5.333 1.00 3.61 H new ATOM 0 HH22 ARG A 37 15.500 -1.796 5.175 1.00 3.61 H new ATOM 568 N SER A 38 8.670 1.650 9.398 1.00 0.81 N ATOM 569 CA SER A 38 8.412 2.831 10.205 1.00 1.07 C ATOM 570 C SER A 38 7.447 2.486 11.342 1.00 1.07 C ATOM 571 O SER A 38 7.489 3.103 12.405 1.00 1.36 O ATOM 572 CB SER A 38 7.843 3.967 9.352 1.00 1.24 C ATOM 573 OG SER A 38 8.524 5.198 9.580 1.00 1.60 O ATOM 0 H SER A 38 8.711 1.821 8.393 1.00 0.81 H new ATOM 0 HA SER A 38 9.357 3.170 10.629 1.00 1.07 H new ATOM 0 HB2 SER A 38 7.918 3.701 8.298 1.00 1.24 H new ATOM 0 HB3 SER A 38 6.783 4.092 9.575 1.00 1.24 H new ATOM 0 HG SER A 38 8.133 5.898 9.016 1.00 1.60 H new ATOM 579 N LEU A 39 6.601 1.501 11.079 1.00 0.83 N ATOM 580 CA LEU A 39 5.628 1.067 12.066 1.00 0.97 C ATOM 581 C LEU A 39 6.264 0.012 12.974 1.00 1.16 C ATOM 582 O LEU A 39 5.664 -1.029 13.236 1.00 2.49 O ATOM 583 CB LEU A 39 4.343 0.595 11.382 1.00 0.84 C ATOM 584 CG LEU A 39 3.561 1.663 10.614 1.00 0.85 C ATOM 585 CD1 LEU A 39 2.440 1.032 9.786 1.00 1.00 C ATOM 586 CD2 LEU A 39 3.036 2.744 11.561 1.00 1.09 C ATOM 0 H LEU A 39 6.569 0.991 10.196 1.00 0.83 H new ATOM 0 HA LEU A 39 5.334 1.902 12.703 1.00 0.97 H new ATOM 0 HB2 LEU A 39 4.597 -0.209 10.691 1.00 0.84 H new ATOM 0 HB3 LEU A 39 3.687 0.168 12.140 1.00 0.84 H new ATOM 0 HG LEU A 39 4.242 2.150 9.916 1.00 0.85 H new ATOM 0 HD11 LEU A 39 1.900 1.813 9.250 1.00 1.00 H new ATOM 0 HD12 LEU A 39 2.867 0.330 9.070 1.00 1.00 H new ATOM 0 HD13 LEU A 39 1.753 0.504 10.447 1.00 1.00 H new ATOM 0 HD21 LEU A 39 2.484 3.491 10.990 1.00 1.09 H new ATOM 0 HD22 LEU A 39 2.375 2.291 12.300 1.00 1.09 H new ATOM 0 HD23 LEU A 39 3.874 3.222 12.068 1.00 1.09 H new ATOM 598 N GLY A 40 7.470 0.318 13.428 1.00 1.07 N ATOM 599 CA GLY A 40 8.194 -0.590 14.300 1.00 0.97 C ATOM 600 C GLY A 40 8.178 -2.015 13.743 1.00 0.94 C ATOM 601 O GLY A 40 7.849 -2.961 14.456 1.00 1.84 O ATOM 0 H GLY A 40 7.964 1.183 13.208 1.00 1.07 H new ATOM 0 HA2 GLY A 40 9.224 -0.250 14.410 1.00 0.97 H new ATOM 0 HA3 GLY A 40 7.747 -0.579 15.294 1.00 0.97 H new ATOM 605 N GLN A 41 8.538 -2.123 12.472 1.00 1.02 N ATOM 606 CA GLN A 41 8.569 -3.416 11.810 1.00 0.97 C ATOM 607 C GLN A 41 9.780 -3.507 10.879 1.00 1.11 C ATOM 608 O GLN A 41 10.594 -2.587 10.822 1.00 2.05 O ATOM 609 CB GLN A 41 7.269 -3.673 11.046 1.00 1.00 C ATOM 610 CG GLN A 41 6.226 -4.339 11.946 1.00 1.40 C ATOM 611 CD GLN A 41 6.200 -5.853 11.726 1.00 2.30 C ATOM 612 OE1 GLN A 41 7.216 -6.528 11.752 1.00 3.43 O ATOM 613 NE2 GLN A 41 4.984 -6.347 11.509 1.00 2.74 N ATOM 0 H GLN A 41 8.811 -1.336 11.883 1.00 1.02 H new ATOM 0 HA GLN A 41 8.662 -4.190 12.572 1.00 0.97 H new ATOM 0 HB2 GLN A 41 6.876 -2.731 10.663 1.00 1.00 H new ATOM 0 HB3 GLN A 41 7.469 -4.309 10.184 1.00 1.00 H new ATOM 0 HG2 GLN A 41 6.451 -4.123 12.991 1.00 1.40 H new ATOM 0 HG3 GLN A 41 5.241 -3.921 11.739 1.00 1.40 H new ATOM 0 HE21 GLN A 41 4.175 -5.726 11.500 1.00 2.74 H new ATOM 0 HE22 GLN A 41 4.861 -7.347 11.351 1.00 2.74 H new ATOM 622 N ASN A 42 9.860 -4.625 10.173 1.00 0.65 N ATOM 623 CA ASN A 42 10.958 -4.848 9.247 1.00 0.63 C ATOM 624 C ASN A 42 10.692 -6.124 8.445 1.00 0.54 C ATOM 625 O ASN A 42 11.438 -7.096 8.553 1.00 0.56 O ATOM 626 CB ASN A 42 12.281 -5.027 9.994 1.00 0.77 C ATOM 627 CG ASN A 42 13.378 -4.154 9.382 1.00 1.31 C ATOM 628 OD1 ASN A 42 14.324 -4.633 8.778 1.00 1.89 O ATOM 629 ND2 ASN A 42 13.200 -2.849 9.571 1.00 1.44 N ATOM 0 H ASN A 42 9.183 -5.386 10.223 1.00 0.65 H new ATOM 0 HA ASN A 42 11.028 -3.980 8.592 1.00 0.63 H new ATOM 0 HB2 ASN A 42 12.148 -4.767 11.044 1.00 0.77 H new ATOM 0 HB3 ASN A 42 12.583 -6.074 9.960 1.00 0.77 H new ATOM 0 HD21 ASN A 42 13.878 -2.183 9.201 1.00 1.44 H new ATOM 0 HD22 ASN A 42 12.386 -2.515 10.086 1.00 1.44 H new ATOM 636 N PRO A 43 9.598 -6.078 7.639 1.00 0.50 N ATOM 637 CA PRO A 43 9.224 -7.219 6.819 1.00 0.47 C ATOM 638 C PRO A 43 10.152 -7.353 5.610 1.00 0.44 C ATOM 639 O PRO A 43 11.022 -6.510 5.395 1.00 0.49 O ATOM 640 CB PRO A 43 7.776 -6.966 6.431 1.00 0.51 C ATOM 641 CG PRO A 43 7.537 -5.482 6.656 1.00 0.54 C ATOM 642 CD PRO A 43 8.691 -4.944 7.486 1.00 0.54 C ATOM 0 HA PRO A 43 9.321 -8.167 7.348 1.00 0.47 H new ATOM 0 HB2 PRO A 43 7.598 -7.237 5.390 1.00 0.51 H new ATOM 0 HB3 PRO A 43 7.098 -7.567 7.038 1.00 0.51 H new ATOM 0 HG2 PRO A 43 7.475 -4.957 5.703 1.00 0.54 H new ATOM 0 HG3 PRO A 43 6.590 -5.322 7.171 1.00 0.54 H new ATOM 0 HD2 PRO A 43 9.182 -4.109 6.987 1.00 0.54 H new ATOM 0 HD3 PRO A 43 8.346 -4.579 8.454 1.00 0.54 H new ATOM 650 N THR A 44 9.935 -8.418 4.853 1.00 0.42 N ATOM 651 CA THR A 44 10.741 -8.674 3.672 1.00 0.42 C ATOM 652 C THR A 44 9.921 -8.432 2.404 1.00 0.35 C ATOM 653 O THR A 44 8.735 -8.755 2.357 1.00 0.36 O ATOM 654 CB THR A 44 11.295 -10.096 3.776 1.00 0.48 C ATOM 655 OG1 THR A 44 10.263 -10.823 4.437 1.00 0.51 O ATOM 656 CG2 THR A 44 12.488 -10.192 4.728 1.00 0.58 C ATOM 0 H THR A 44 9.212 -9.114 5.035 1.00 0.42 H new ATOM 0 HA THR A 44 11.584 -7.986 3.612 1.00 0.42 H new ATOM 0 HB THR A 44 11.593 -10.443 2.786 1.00 0.48 H new ATOM 0 HG1 THR A 44 10.538 -11.757 4.544 1.00 0.51 H new ATOM 0 HG21 THR A 44 12.842 -11.222 4.765 1.00 0.58 H new ATOM 0 HG22 THR A 44 13.290 -9.545 4.373 1.00 0.58 H new ATOM 0 HG23 THR A 44 12.183 -9.877 5.726 1.00 0.58 H new ATOM 664 N GLU A 45 10.584 -7.866 1.406 1.00 0.37 N ATOM 665 CA GLU A 45 9.931 -7.577 0.141 1.00 0.34 C ATOM 666 C GLU A 45 9.467 -8.874 -0.524 1.00 0.33 C ATOM 667 O GLU A 45 8.601 -8.852 -1.398 1.00 0.35 O ATOM 668 CB GLU A 45 10.856 -6.786 -0.786 1.00 0.39 C ATOM 669 CG GLU A 45 12.034 -7.645 -1.248 1.00 0.44 C ATOM 670 CD GLU A 45 13.353 -6.879 -1.127 1.00 1.39 C ATOM 671 OE1 GLU A 45 13.628 -6.073 -2.042 1.00 2.30 O ATOM 672 OE2 GLU A 45 14.057 -7.116 -0.121 1.00 2.64 O ATOM 0 H GLU A 45 11.568 -7.600 1.448 1.00 0.37 H new ATOM 0 HA GLU A 45 9.055 -6.959 0.339 1.00 0.34 H new ATOM 0 HB2 GLU A 45 10.295 -6.435 -1.652 1.00 0.39 H new ATOM 0 HB3 GLU A 45 11.227 -5.902 -0.267 1.00 0.39 H new ATOM 0 HG2 GLU A 45 12.082 -8.555 -0.650 1.00 0.44 H new ATOM 0 HG3 GLU A 45 11.881 -7.952 -2.283 1.00 0.44 H new ATOM 679 N ALA A 46 10.062 -9.973 -0.086 1.00 0.36 N ATOM 680 CA ALA A 46 9.721 -11.277 -0.628 1.00 0.41 C ATOM 681 C ALA A 46 8.272 -11.611 -0.268 1.00 0.41 C ATOM 682 O ALA A 46 7.459 -11.894 -1.147 1.00 0.52 O ATOM 683 CB ALA A 46 10.707 -12.323 -0.104 1.00 0.45 C ATOM 0 H ALA A 46 10.779 -9.987 0.639 1.00 0.36 H new ATOM 0 HA ALA A 46 9.799 -11.272 -1.715 1.00 0.41 H new ATOM 0 HB1 ALA A 46 10.450 -13.301 -0.511 1.00 0.45 H new ATOM 0 HB2 ALA A 46 11.718 -12.056 -0.411 1.00 0.45 H new ATOM 0 HB3 ALA A 46 10.656 -12.358 0.984 1.00 0.45 H new ATOM 689 N GLU A 47 7.992 -11.566 1.026 1.00 0.36 N ATOM 690 CA GLU A 47 6.655 -11.860 1.514 1.00 0.38 C ATOM 691 C GLU A 47 5.658 -10.830 0.982 1.00 0.36 C ATOM 692 O GLU A 47 4.520 -11.170 0.660 1.00 0.36 O ATOM 693 CB GLU A 47 6.628 -11.911 3.043 1.00 0.41 C ATOM 694 CG GLU A 47 7.209 -13.230 3.558 1.00 0.48 C ATOM 695 CD GLU A 47 6.141 -14.055 4.278 1.00 0.68 C ATOM 696 OE1 GLU A 47 5.352 -13.436 5.024 1.00 1.52 O ATOM 697 OE2 GLU A 47 6.137 -15.287 4.066 1.00 1.63 O ATOM 0 H GLU A 47 8.668 -11.330 1.752 1.00 0.36 H new ATOM 0 HA GLU A 47 6.363 -12.843 1.146 1.00 0.38 H new ATOM 0 HB2 GLU A 47 7.198 -11.075 3.448 1.00 0.41 H new ATOM 0 HB3 GLU A 47 5.603 -11.798 3.396 1.00 0.41 H new ATOM 0 HG2 GLU A 47 7.615 -13.803 2.724 1.00 0.48 H new ATOM 0 HG3 GLU A 47 8.036 -13.026 4.238 1.00 0.48 H new ATOM 704 N LEU A 48 6.120 -9.590 0.905 1.00 0.36 N ATOM 705 CA LEU A 48 5.282 -8.508 0.418 1.00 0.36 C ATOM 706 C LEU A 48 5.060 -8.679 -1.086 1.00 0.33 C ATOM 707 O LEU A 48 4.060 -8.208 -1.627 1.00 0.34 O ATOM 708 CB LEU A 48 5.881 -7.153 0.801 1.00 0.39 C ATOM 709 CG LEU A 48 5.633 -6.692 2.238 1.00 0.43 C ATOM 710 CD1 LEU A 48 4.142 -6.745 2.581 1.00 0.50 C ATOM 711 CD2 LEU A 48 6.477 -7.499 3.227 1.00 0.57 C ATOM 0 H LEU A 48 7.064 -9.311 1.172 1.00 0.36 H new ATOM 0 HA LEU A 48 4.301 -8.542 0.892 1.00 0.36 H new ATOM 0 HB2 LEU A 48 6.957 -7.194 0.634 1.00 0.39 H new ATOM 0 HB3 LEU A 48 5.482 -6.397 0.124 1.00 0.39 H new ATOM 0 HG LEU A 48 5.947 -5.651 2.321 1.00 0.43 H new ATOM 0 HD11 LEU A 48 3.993 -6.412 3.608 1.00 0.50 H new ATOM 0 HD12 LEU A 48 3.590 -6.093 1.905 1.00 0.50 H new ATOM 0 HD13 LEU A 48 3.780 -7.768 2.475 1.00 0.50 H new ATOM 0 HD21 LEU A 48 6.281 -7.151 4.241 1.00 0.57 H new ATOM 0 HD22 LEU A 48 6.218 -8.555 3.150 1.00 0.57 H new ATOM 0 HD23 LEU A 48 7.534 -7.367 2.996 1.00 0.57 H new ATOM 723 N GLN A 49 6.009 -9.353 -1.720 1.00 0.33 N ATOM 724 CA GLN A 49 5.929 -9.592 -3.151 1.00 0.32 C ATOM 725 C GLN A 49 4.626 -10.316 -3.496 1.00 0.30 C ATOM 726 O GLN A 49 4.025 -10.058 -4.538 1.00 0.29 O ATOM 727 CB GLN A 49 7.143 -10.381 -3.643 1.00 0.37 C ATOM 728 CG GLN A 49 7.184 -10.426 -5.172 1.00 0.41 C ATOM 729 CD GLN A 49 8.329 -11.314 -5.664 1.00 0.65 C ATOM 730 OE1 GLN A 49 9.494 -11.078 -5.390 1.00 1.11 O ATOM 731 NE2 GLN A 49 7.934 -12.346 -6.404 1.00 1.98 N ATOM 0 H GLN A 49 6.837 -9.741 -1.269 1.00 0.33 H new ATOM 0 HA GLN A 49 5.932 -8.629 -3.662 1.00 0.32 H new ATOM 0 HB2 GLN A 49 8.057 -9.923 -3.264 1.00 0.37 H new ATOM 0 HB3 GLN A 49 7.107 -11.396 -3.246 1.00 0.37 H new ATOM 0 HG2 GLN A 49 6.236 -10.804 -5.554 1.00 0.41 H new ATOM 0 HG3 GLN A 49 7.306 -9.417 -5.566 1.00 0.41 H new ATOM 0 HE21 GLN A 49 6.942 -12.486 -6.596 1.00 1.98 H new ATOM 0 HE22 GLN A 49 8.623 -12.998 -6.780 1.00 1.98 H new ATOM 740 N ASP A 50 4.228 -11.209 -2.602 1.00 0.32 N ATOM 741 CA ASP A 50 3.008 -11.973 -2.799 1.00 0.33 C ATOM 742 C ASP A 50 1.800 -11.052 -2.622 1.00 0.33 C ATOM 743 O ASP A 50 0.783 -11.220 -3.293 1.00 0.36 O ATOM 744 CB ASP A 50 2.895 -13.104 -1.774 1.00 0.38 C ATOM 745 CG ASP A 50 1.949 -14.240 -2.167 1.00 0.73 C ATOM 746 OD1 ASP A 50 0.733 -13.963 -2.253 1.00 1.43 O ATOM 747 OD2 ASP A 50 2.463 -15.361 -2.373 1.00 2.13 O ATOM 0 H ASP A 50 4.729 -11.421 -1.739 1.00 0.32 H new ATOM 0 HA ASP A 50 3.034 -12.397 -3.803 1.00 0.33 H new ATOM 0 HB2 ASP A 50 3.888 -13.520 -1.604 1.00 0.38 H new ATOM 0 HB3 ASP A 50 2.559 -12.683 -0.826 1.00 0.38 H new ATOM 752 N MET A 51 1.952 -10.097 -1.716 1.00 0.32 N ATOM 753 CA MET A 51 0.886 -9.148 -1.443 1.00 0.35 C ATOM 754 C MET A 51 0.702 -8.178 -2.611 1.00 0.35 C ATOM 755 O MET A 51 -0.385 -8.082 -3.178 1.00 0.38 O ATOM 756 CB MET A 51 1.217 -8.361 -0.173 1.00 0.37 C ATOM 757 CG MET A 51 0.862 -9.166 1.079 1.00 0.50 C ATOM 758 SD MET A 51 -0.460 -8.362 1.968 1.00 1.20 S ATOM 759 CE MET A 51 -1.079 -9.740 2.918 1.00 2.32 C ATOM 0 H MET A 51 2.797 -9.960 -1.162 1.00 0.32 H new ATOM 0 HA MET A 51 -0.042 -9.702 -1.307 1.00 0.35 H new ATOM 0 HB2 MET A 51 2.278 -8.112 -0.161 1.00 0.37 H new ATOM 0 HB3 MET A 51 0.669 -7.419 -0.171 1.00 0.37 H new ATOM 0 HG2 MET A 51 0.561 -10.176 0.799 1.00 0.50 H new ATOM 0 HG3 MET A 51 1.738 -9.261 1.721 1.00 0.50 H new ATOM 0 HE1 MET A 51 -1.915 -9.410 3.535 1.00 2.32 H new ATOM 0 HE2 MET A 51 -1.415 -10.526 2.242 1.00 2.32 H new ATOM 0 HE3 MET A 51 -0.286 -10.126 3.558 1.00 2.32 H new ATOM 769 N ILE A 52 1.783 -7.484 -2.938 1.00 0.32 N ATOM 770 CA ILE A 52 1.754 -6.524 -4.029 1.00 0.32 C ATOM 771 C ILE A 52 1.122 -7.177 -5.260 1.00 0.32 C ATOM 772 O ILE A 52 0.300 -6.564 -5.939 1.00 0.31 O ATOM 773 CB ILE A 52 3.153 -5.960 -4.283 1.00 0.32 C ATOM 774 CG1 ILE A 52 4.173 -7.085 -4.472 1.00 0.28 C ATOM 775 CG2 ILE A 52 3.566 -4.995 -3.169 1.00 0.35 C ATOM 776 CD1 ILE A 52 4.395 -7.379 -5.957 1.00 0.44 C ATOM 0 H ILE A 52 2.684 -7.567 -2.467 1.00 0.32 H new ATOM 0 HA ILE A 52 1.133 -5.668 -3.767 1.00 0.32 H new ATOM 0 HB ILE A 52 3.127 -5.389 -5.211 1.00 0.32 H new ATOM 0 HG12 ILE A 52 5.119 -6.805 -4.008 1.00 0.28 H new ATOM 0 HG13 ILE A 52 3.824 -7.986 -3.967 1.00 0.28 H new ATOM 0 HG21 ILE A 52 4.564 -4.609 -3.374 1.00 0.35 H new ATOM 0 HG22 ILE A 52 2.859 -4.167 -3.124 1.00 0.35 H new ATOM 0 HG23 ILE A 52 3.570 -5.521 -2.215 1.00 0.35 H new ATOM 0 HD11 ILE A 52 5.124 -8.182 -6.064 1.00 0.44 H new ATOM 0 HD12 ILE A 52 3.452 -7.682 -6.413 1.00 0.44 H new ATOM 0 HD13 ILE A 52 4.767 -6.483 -6.454 1.00 0.44 H new ATOM 788 N ASN A 53 1.530 -8.413 -5.510 1.00 0.36 N ATOM 789 CA ASN A 53 1.013 -9.156 -6.647 1.00 0.37 C ATOM 790 C ASN A 53 -0.474 -9.443 -6.430 1.00 0.38 C ATOM 791 O ASN A 53 -1.249 -9.476 -7.384 1.00 0.38 O ATOM 792 CB ASN A 53 1.736 -10.495 -6.804 1.00 0.46 C ATOM 793 CG ASN A 53 1.140 -11.307 -7.956 1.00 1.06 C ATOM 794 OD1 ASN A 53 -0.054 -11.547 -8.028 1.00 2.29 O ATOM 795 ND2 ASN A 53 2.036 -11.717 -8.849 1.00 1.43 N ATOM 0 H ASN A 53 2.212 -8.918 -4.945 1.00 0.36 H new ATOM 0 HA ASN A 53 1.170 -8.555 -7.543 1.00 0.37 H new ATOM 0 HB2 ASN A 53 2.796 -10.321 -6.987 1.00 0.46 H new ATOM 0 HB3 ASN A 53 1.662 -11.063 -5.877 1.00 0.46 H new ATOM 0 HD21 ASN A 53 1.738 -12.267 -9.654 1.00 1.43 H new ATOM 0 HD22 ASN A 53 3.021 -11.481 -8.729 1.00 1.43 H new ATOM 802 N GLU A 54 -0.827 -9.644 -5.169 1.00 0.43 N ATOM 803 CA GLU A 54 -2.207 -9.928 -4.815 1.00 0.49 C ATOM 804 C GLU A 54 -3.071 -8.678 -5.001 1.00 0.46 C ATOM 805 O GLU A 54 -4.058 -8.705 -5.734 1.00 0.49 O ATOM 806 CB GLU A 54 -2.308 -10.455 -3.382 1.00 0.57 C ATOM 807 CG GLU A 54 -3.770 -10.619 -2.960 1.00 0.57 C ATOM 808 CD GLU A 54 -4.194 -12.089 -3.011 1.00 0.80 C ATOM 809 OE1 GLU A 54 -3.390 -12.928 -2.550 1.00 1.88 O ATOM 810 OE2 GLU A 54 -5.312 -12.339 -3.511 1.00 1.52 O ATOM 0 H GLU A 54 -0.181 -9.616 -4.380 1.00 0.43 H new ATOM 0 HA GLU A 54 -2.580 -10.706 -5.481 1.00 0.49 H new ATOM 0 HB2 GLU A 54 -1.794 -11.413 -3.306 1.00 0.57 H new ATOM 0 HB3 GLU A 54 -1.804 -9.768 -2.702 1.00 0.57 H new ATOM 0 HG2 GLU A 54 -3.906 -10.232 -1.950 1.00 0.57 H new ATOM 0 HG3 GLU A 54 -4.410 -10.029 -3.616 1.00 0.57 H new ATOM 817 N VAL A 55 -2.667 -7.613 -4.325 1.00 0.43 N ATOM 818 CA VAL A 55 -3.392 -6.356 -4.407 1.00 0.43 C ATOM 819 C VAL A 55 -3.404 -5.873 -5.858 1.00 0.39 C ATOM 820 O VAL A 55 -4.445 -5.465 -6.372 1.00 0.53 O ATOM 821 CB VAL A 55 -2.781 -5.336 -3.443 1.00 0.42 C ATOM 822 CG1 VAL A 55 -2.691 -5.907 -2.026 1.00 0.45 C ATOM 823 CG2 VAL A 55 -1.409 -4.870 -3.934 1.00 0.41 C ATOM 0 H VAL A 55 -1.847 -7.594 -3.718 1.00 0.43 H new ATOM 0 HA VAL A 55 -4.429 -6.493 -4.101 1.00 0.43 H new ATOM 0 HB VAL A 55 -3.439 -4.467 -3.414 1.00 0.42 H new ATOM 0 HG11 VAL A 55 -2.254 -5.163 -1.361 1.00 0.45 H new ATOM 0 HG12 VAL A 55 -3.690 -6.166 -1.674 1.00 0.45 H new ATOM 0 HG13 VAL A 55 -2.066 -6.800 -2.033 1.00 0.45 H new ATOM 0 HG21 VAL A 55 -0.998 -4.146 -3.231 1.00 0.41 H new ATOM 0 HG22 VAL A 55 -0.739 -5.726 -4.007 1.00 0.41 H new ATOM 0 HG23 VAL A 55 -1.512 -4.405 -4.915 1.00 0.41 H new ATOM 833 N ASP A 56 -2.235 -5.935 -6.479 1.00 0.28 N ATOM 834 CA ASP A 56 -2.099 -5.509 -7.862 1.00 0.25 C ATOM 835 C ASP A 56 -3.104 -6.271 -8.727 1.00 0.36 C ATOM 836 O ASP A 56 -2.949 -7.470 -8.956 1.00 0.46 O ATOM 837 CB ASP A 56 -0.695 -5.807 -8.394 1.00 0.31 C ATOM 838 CG ASP A 56 -0.442 -5.361 -9.835 1.00 0.45 C ATOM 839 OD1 ASP A 56 -0.887 -6.095 -10.743 1.00 0.83 O ATOM 840 OD2 ASP A 56 0.191 -4.295 -9.996 1.00 0.68 O ATOM 0 H ASP A 56 -1.374 -6.274 -6.050 1.00 0.28 H new ATOM 0 HA ASP A 56 -2.280 -4.435 -7.904 1.00 0.25 H new ATOM 0 HB2 ASP A 56 0.034 -5.321 -7.746 1.00 0.31 H new ATOM 0 HB3 ASP A 56 -0.517 -6.880 -8.325 1.00 0.31 H new ATOM 845 N ALA A 57 -4.113 -5.544 -9.186 1.00 0.46 N ATOM 846 CA ALA A 57 -5.143 -6.137 -10.021 1.00 0.61 C ATOM 847 C ALA A 57 -4.826 -5.856 -11.491 1.00 0.63 C ATOM 848 O ALA A 57 -4.865 -6.762 -12.322 1.00 0.67 O ATOM 849 CB ALA A 57 -6.512 -5.594 -9.606 1.00 0.76 C ATOM 0 H ALA A 57 -4.239 -4.550 -8.995 1.00 0.46 H new ATOM 0 HA ALA A 57 -5.168 -7.219 -9.890 1.00 0.61 H new ATOM 0 HB1 ALA A 57 -7.285 -6.039 -10.233 1.00 0.76 H new ATOM 0 HB2 ALA A 57 -6.702 -5.845 -8.562 1.00 0.76 H new ATOM 0 HB3 ALA A 57 -6.526 -4.511 -9.727 1.00 0.76 H new ATOM 855 N ASP A 58 -4.520 -4.597 -11.767 1.00 0.64 N ATOM 856 CA ASP A 58 -4.196 -4.185 -13.122 1.00 0.69 C ATOM 857 C ASP A 58 -3.330 -5.259 -13.784 1.00 0.70 C ATOM 858 O ASP A 58 -3.403 -5.461 -14.995 1.00 0.75 O ATOM 859 CB ASP A 58 -3.409 -2.874 -13.126 1.00 0.73 C ATOM 860 CG ASP A 58 -2.399 -2.722 -11.987 1.00 1.04 C ATOM 861 OD1 ASP A 58 -2.144 -3.745 -11.315 1.00 2.75 O ATOM 862 OD2 ASP A 58 -1.905 -1.587 -11.814 1.00 1.21 O ATOM 0 H ASP A 58 -4.490 -3.848 -11.075 1.00 0.64 H new ATOM 0 HA ASP A 58 -5.131 -4.045 -13.664 1.00 0.69 H new ATOM 0 HB2 ASP A 58 -2.879 -2.789 -14.075 1.00 0.73 H new ATOM 0 HB3 ASP A 58 -4.114 -2.044 -13.079 1.00 0.73 H new ATOM 867 N GLY A 59 -2.530 -5.919 -12.960 1.00 0.69 N ATOM 868 CA GLY A 59 -1.650 -6.967 -13.449 1.00 0.74 C ATOM 869 C GLY A 59 -0.284 -6.399 -13.839 1.00 0.77 C ATOM 870 O GLY A 59 -0.074 -6.009 -14.986 1.00 1.12 O ATOM 0 H GLY A 59 -2.473 -5.748 -11.956 1.00 0.69 H new ATOM 0 HA2 GLY A 59 -1.525 -7.729 -12.680 1.00 0.74 H new ATOM 0 HA3 GLY A 59 -2.104 -7.455 -14.311 1.00 0.74 H new ATOM 874 N ASP A 60 0.609 -6.370 -12.861 1.00 0.48 N ATOM 875 CA ASP A 60 1.950 -5.856 -13.087 1.00 0.51 C ATOM 876 C ASP A 60 2.870 -6.332 -11.961 1.00 0.53 C ATOM 877 O ASP A 60 3.822 -7.072 -12.204 1.00 0.68 O ATOM 878 CB ASP A 60 1.959 -4.326 -13.091 1.00 0.52 C ATOM 879 CG ASP A 60 0.577 -3.671 -13.118 1.00 1.24 C ATOM 880 OD1 ASP A 60 -0.067 -3.749 -14.186 1.00 2.88 O ATOM 881 OD2 ASP A 60 0.196 -3.106 -12.069 1.00 0.96 O ATOM 0 H ASP A 60 0.431 -6.694 -11.910 1.00 0.48 H new ATOM 0 HA ASP A 60 2.293 -6.221 -14.055 1.00 0.51 H new ATOM 0 HB2 ASP A 60 2.492 -3.979 -12.206 1.00 0.52 H new ATOM 0 HB3 ASP A 60 2.524 -3.983 -13.958 1.00 0.52 H new ATOM 886 N GLY A 61 2.554 -5.887 -10.754 1.00 0.47 N ATOM 887 CA GLY A 61 3.340 -6.258 -9.590 1.00 0.54 C ATOM 888 C GLY A 61 3.729 -5.023 -8.774 1.00 0.66 C ATOM 889 O GLY A 61 4.859 -4.919 -8.300 1.00 1.31 O ATOM 0 H GLY A 61 1.764 -5.273 -10.557 1.00 0.47 H new ATOM 0 HA2 GLY A 61 2.769 -6.946 -8.966 1.00 0.54 H new ATOM 0 HA3 GLY A 61 4.239 -6.787 -9.907 1.00 0.54 H new ATOM 893 N THR A 62 2.771 -4.119 -8.637 1.00 0.46 N ATOM 894 CA THR A 62 3.000 -2.895 -7.887 1.00 0.46 C ATOM 895 C THR A 62 1.696 -2.409 -7.250 1.00 0.37 C ATOM 896 O THR A 62 0.616 -2.887 -7.595 1.00 0.36 O ATOM 897 CB THR A 62 3.632 -1.872 -8.833 1.00 0.55 C ATOM 898 OG1 THR A 62 4.729 -2.570 -9.416 1.00 0.66 O ATOM 899 CG2 THR A 62 4.285 -0.708 -8.085 1.00 0.60 C ATOM 0 H THR A 62 1.835 -4.209 -9.032 1.00 0.46 H new ATOM 0 HA THR A 62 3.688 -3.061 -7.058 1.00 0.46 H new ATOM 0 HB THR A 62 2.871 -1.486 -9.511 1.00 0.55 H new ATOM 0 HG1 THR A 62 5.195 -1.980 -10.045 1.00 0.66 H new ATOM 0 HG21 THR A 62 4.718 -0.011 -8.803 1.00 0.60 H new ATOM 0 HG22 THR A 62 3.534 -0.192 -7.487 1.00 0.60 H new ATOM 0 HG23 THR A 62 5.069 -1.090 -7.431 1.00 0.60 H new ATOM 907 N ILE A 63 1.840 -1.465 -6.331 1.00 0.39 N ATOM 908 CA ILE A 63 0.688 -0.910 -5.642 1.00 0.35 C ATOM 909 C ILE A 63 0.370 0.471 -6.221 1.00 0.40 C ATOM 910 O ILE A 63 1.190 1.055 -6.928 1.00 0.61 O ATOM 911 CB ILE A 63 0.919 -0.904 -4.130 1.00 0.36 C ATOM 912 CG1 ILE A 63 1.323 -2.293 -3.632 1.00 0.44 C ATOM 913 CG2 ILE A 63 -0.307 -0.364 -3.390 1.00 0.45 C ATOM 914 CD1 ILE A 63 0.878 -2.508 -2.184 1.00 0.76 C ATOM 0 H ILE A 63 2.737 -1.071 -6.048 1.00 0.39 H new ATOM 0 HA ILE A 63 -0.190 -1.535 -5.804 1.00 0.35 H new ATOM 0 HB ILE A 63 1.748 -0.230 -3.914 1.00 0.36 H new ATOM 0 HG12 ILE A 63 0.877 -3.056 -4.270 1.00 0.44 H new ATOM 0 HG13 ILE A 63 2.404 -2.409 -3.705 1.00 0.44 H new ATOM 0 HG21 ILE A 63 -0.116 -0.370 -2.317 1.00 0.45 H new ATOM 0 HG22 ILE A 63 -0.509 0.656 -3.717 1.00 0.45 H new ATOM 0 HG23 ILE A 63 -1.170 -0.993 -3.609 1.00 0.45 H new ATOM 0 HD11 ILE A 63 1.178 -3.503 -1.855 1.00 0.76 H new ATOM 0 HD12 ILE A 63 1.345 -1.759 -1.545 1.00 0.76 H new ATOM 0 HD13 ILE A 63 -0.206 -2.416 -2.119 1.00 0.76 H new ATOM 926 N ASP A 64 -0.821 0.952 -5.899 1.00 0.40 N ATOM 927 CA ASP A 64 -1.257 2.253 -6.378 1.00 0.46 C ATOM 928 C ASP A 64 -2.250 2.852 -5.381 1.00 0.46 C ATOM 929 O ASP A 64 -2.743 2.155 -4.495 1.00 0.54 O ATOM 930 CB ASP A 64 -1.960 2.134 -7.732 1.00 0.50 C ATOM 931 CG ASP A 64 -1.893 3.387 -8.608 1.00 1.26 C ATOM 932 OD1 ASP A 64 -1.824 4.487 -8.020 1.00 2.47 O ATOM 933 OD2 ASP A 64 -1.911 3.215 -9.846 1.00 2.15 O ATOM 0 H ASP A 64 -1.498 0.465 -5.312 1.00 0.40 H new ATOM 0 HA ASP A 64 -0.376 2.886 -6.483 1.00 0.46 H new ATOM 0 HB2 ASP A 64 -1.520 1.301 -8.281 1.00 0.50 H new ATOM 0 HB3 ASP A 64 -3.007 1.885 -7.560 1.00 0.50 H new ATOM 938 N PHE A 65 -2.515 4.139 -5.558 1.00 0.52 N ATOM 939 CA PHE A 65 -3.440 4.840 -4.684 1.00 0.57 C ATOM 940 C PHE A 65 -4.801 4.142 -4.655 1.00 0.58 C ATOM 941 O PHE A 65 -5.335 3.860 -3.583 1.00 0.58 O ATOM 942 CB PHE A 65 -3.614 6.248 -5.255 1.00 0.72 C ATOM 943 CG PHE A 65 -3.359 7.366 -4.243 1.00 0.94 C ATOM 944 CD1 PHE A 65 -3.808 7.242 -2.965 1.00 0.40 C ATOM 945 CD2 PHE A 65 -2.683 8.485 -4.620 1.00 2.08 C ATOM 946 CE1 PHE A 65 -3.571 8.280 -2.025 1.00 0.48 C ATOM 947 CE2 PHE A 65 -2.447 9.523 -3.681 1.00 2.32 C ATOM 948 CZ PHE A 65 -2.895 9.398 -2.403 1.00 1.41 C ATOM 0 H PHE A 65 -2.105 4.714 -6.294 1.00 0.52 H new ATOM 0 HA PHE A 65 -3.050 4.859 -3.666 1.00 0.57 H new ATOM 0 HB2 PHE A 65 -2.935 6.373 -6.098 1.00 0.72 H new ATOM 0 HB3 PHE A 65 -4.627 6.348 -5.644 1.00 0.72 H new ATOM 0 HD1 PHE A 65 -4.345 6.354 -2.665 1.00 0.40 H new ATOM 0 HD2 PHE A 65 -2.326 8.584 -5.634 1.00 2.08 H new ATOM 0 HE1 PHE A 65 -3.927 8.182 -1.010 1.00 0.48 H new ATOM 0 HE2 PHE A 65 -1.912 10.412 -3.981 1.00 2.32 H new ATOM 0 HZ PHE A 65 -2.714 10.187 -1.688 1.00 1.41 H new ATOM 958 N PRO A 66 -5.338 3.877 -5.876 1.00 0.66 N ATOM 959 CA PRO A 66 -6.627 3.218 -6.000 1.00 0.77 C ATOM 960 C PRO A 66 -6.511 1.725 -5.688 1.00 0.75 C ATOM 961 O PRO A 66 -7.465 1.110 -5.213 1.00 0.92 O ATOM 962 CB PRO A 66 -7.075 3.495 -7.426 1.00 0.90 C ATOM 963 CG PRO A 66 -5.822 3.898 -8.185 1.00 0.83 C ATOM 964 CD PRO A 66 -4.735 4.197 -7.166 1.00 0.69 C ATOM 0 HA PRO A 66 -7.362 3.592 -5.287 1.00 0.77 H new ATOM 0 HB2 PRO A 66 -7.533 2.611 -7.870 1.00 0.90 H new ATOM 0 HB3 PRO A 66 -7.821 4.289 -7.454 1.00 0.90 H new ATOM 0 HG2 PRO A 66 -5.508 3.098 -8.855 1.00 0.83 H new ATOM 0 HG3 PRO A 66 -6.016 4.774 -8.804 1.00 0.83 H new ATOM 0 HD2 PRO A 66 -3.845 3.594 -7.348 1.00 0.69 H new ATOM 0 HD3 PRO A 66 -4.427 5.242 -7.211 1.00 0.69 H new ATOM 972 N GLU A 67 -5.335 1.184 -5.969 1.00 0.61 N ATOM 973 CA GLU A 67 -5.082 -0.226 -5.725 1.00 0.62 C ATOM 974 C GLU A 67 -4.992 -0.497 -4.222 1.00 0.59 C ATOM 975 O GLU A 67 -5.771 -1.279 -3.680 1.00 0.75 O ATOM 976 CB GLU A 67 -3.812 -0.688 -6.442 1.00 0.56 C ATOM 977 CG GLU A 67 -4.088 -0.965 -7.922 1.00 0.60 C ATOM 978 CD GLU A 67 -2.794 -1.299 -8.667 1.00 0.63 C ATOM 979 OE1 GLU A 67 -2.138 -2.280 -8.254 1.00 1.40 O ATOM 980 OE2 GLU A 67 -2.491 -0.567 -9.634 1.00 2.01 O ATOM 0 H GLU A 67 -4.546 1.697 -6.363 1.00 0.61 H new ATOM 0 HA GLU A 67 -5.916 -0.799 -6.129 1.00 0.62 H new ATOM 0 HB2 GLU A 67 -3.039 0.075 -6.349 1.00 0.56 H new ATOM 0 HB3 GLU A 67 -3.428 -1.590 -5.965 1.00 0.56 H new ATOM 0 HG2 GLU A 67 -4.790 -1.793 -8.016 1.00 0.60 H new ATOM 0 HG3 GLU A 67 -4.560 -0.094 -8.377 1.00 0.60 H new ATOM 987 N PHE A 68 -4.034 0.166 -3.590 1.00 0.47 N ATOM 988 CA PHE A 68 -3.832 0.006 -2.160 1.00 0.48 C ATOM 989 C PHE A 68 -5.147 0.178 -1.398 1.00 0.50 C ATOM 990 O PHE A 68 -5.414 -0.549 -0.442 1.00 0.52 O ATOM 991 CB PHE A 68 -2.856 1.100 -1.722 1.00 0.42 C ATOM 992 CG PHE A 68 -2.020 0.733 -0.494 1.00 0.63 C ATOM 993 CD1 PHE A 68 -1.491 -0.515 -0.380 1.00 1.36 C ATOM 994 CD2 PHE A 68 -1.807 1.654 0.484 1.00 0.42 C ATOM 995 CE1 PHE A 68 -0.716 -0.856 0.760 1.00 1.65 C ATOM 996 CE2 PHE A 68 -1.031 1.313 1.623 1.00 0.55 C ATOM 997 CZ PHE A 68 -0.502 0.066 1.738 1.00 1.17 C ATOM 0 H PHE A 68 -3.390 0.815 -4.042 1.00 0.47 H new ATOM 0 HA PHE A 68 -3.448 -0.992 -1.947 1.00 0.48 H new ATOM 0 HB2 PHE A 68 -2.185 1.327 -2.551 1.00 0.42 H new ATOM 0 HB3 PHE A 68 -3.418 2.009 -1.508 1.00 0.42 H new ATOM 0 HD1 PHE A 68 -1.660 -1.246 -1.156 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -2.228 2.644 0.394 1.00 0.42 H new ATOM 0 HE1 PHE A 68 -0.296 -1.847 0.851 1.00 1.65 H new ATOM 0 HE2 PHE A 68 -0.861 2.045 2.399 1.00 0.55 H new ATOM 0 HZ PHE A 68 0.088 -0.193 2.605 1.00 1.17 H new ATOM 1007 N LEU A 69 -5.934 1.144 -1.849 1.00 0.55 N ATOM 1008 CA LEU A 69 -7.215 1.420 -1.222 1.00 0.60 C ATOM 1009 C LEU A 69 -7.929 0.100 -0.927 1.00 0.54 C ATOM 1010 O LEU A 69 -8.310 -0.163 0.213 1.00 0.51 O ATOM 1011 CB LEU A 69 -8.035 2.385 -2.081 1.00 0.74 C ATOM 1012 CG LEU A 69 -8.668 3.567 -1.344 1.00 1.48 C ATOM 1013 CD1 LEU A 69 -8.456 4.871 -2.115 1.00 3.12 C ATOM 1014 CD2 LEU A 69 -10.148 3.305 -1.056 1.00 1.93 C ATOM 0 H LEU A 69 -5.709 1.745 -2.642 1.00 0.55 H new ATOM 0 HA LEU A 69 -7.071 1.924 -0.267 1.00 0.60 H new ATOM 0 HB2 LEU A 69 -7.391 2.776 -2.868 1.00 0.74 H new ATOM 0 HB3 LEU A 69 -8.829 1.820 -2.570 1.00 0.74 H new ATOM 0 HG LEU A 69 -8.168 3.677 -0.382 1.00 1.48 H new ATOM 0 HD11 LEU A 69 -8.916 5.695 -1.569 1.00 3.12 H new ATOM 0 HD12 LEU A 69 -7.388 5.059 -2.225 1.00 3.12 H new ATOM 0 HD13 LEU A 69 -8.913 4.789 -3.101 1.00 3.12 H new ATOM 0 HD21 LEU A 69 -10.574 4.161 -0.532 1.00 1.93 H new ATOM 0 HD22 LEU A 69 -10.680 3.154 -1.995 1.00 1.93 H new ATOM 0 HD23 LEU A 69 -10.246 2.414 -0.436 1.00 1.93 H new ATOM 1026 N THR A 70 -8.089 -0.696 -1.974 1.00 0.59 N ATOM 1027 CA THR A 70 -8.751 -1.983 -1.842 1.00 0.60 C ATOM 1028 C THR A 70 -8.015 -2.859 -0.826 1.00 0.55 C ATOM 1029 O THR A 70 -8.626 -3.384 0.104 1.00 0.56 O ATOM 1030 CB THR A 70 -8.842 -2.613 -3.233 1.00 0.67 C ATOM 1031 OG1 THR A 70 -9.931 -1.932 -3.851 1.00 0.78 O ATOM 1032 CG2 THR A 70 -9.294 -4.074 -3.186 1.00 0.72 C ATOM 0 H THR A 70 -7.772 -0.475 -2.918 1.00 0.59 H new ATOM 0 HA THR A 70 -9.763 -1.869 -1.454 1.00 0.60 H new ATOM 0 HB THR A 70 -7.871 -2.550 -3.725 1.00 0.67 H new ATOM 0 HG1 THR A 70 -10.060 -2.277 -4.759 1.00 0.78 H new ATOM 0 HG21 THR A 70 -9.342 -4.473 -4.199 1.00 0.72 H new ATOM 0 HG22 THR A 70 -8.583 -4.656 -2.600 1.00 0.72 H new ATOM 0 HG23 THR A 70 -10.280 -4.135 -2.725 1.00 0.72 H new ATOM 1040 N MET A 71 -6.714 -2.990 -1.038 1.00 0.62 N ATOM 1041 CA MET A 71 -5.889 -3.793 -0.152 1.00 0.62 C ATOM 1042 C MET A 71 -6.242 -3.532 1.314 1.00 0.63 C ATOM 1043 O MET A 71 -6.666 -4.440 2.026 1.00 0.68 O ATOM 1044 CB MET A 71 -4.414 -3.463 -0.388 1.00 0.64 C ATOM 1045 CG MET A 71 -3.518 -4.220 0.594 1.00 0.64 C ATOM 1046 SD MET A 71 -2.888 -3.102 1.834 1.00 2.10 S ATOM 1047 CE MET A 71 -3.137 -4.091 3.299 1.00 2.71 C ATOM 0 H MET A 71 -6.211 -2.554 -1.810 1.00 0.62 H new ATOM 0 HA MET A 71 -6.075 -4.845 -0.369 1.00 0.62 H new ATOM 0 HB2 MET A 71 -4.139 -3.722 -1.410 1.00 0.64 H new ATOM 0 HB3 MET A 71 -4.256 -2.390 -0.277 1.00 0.64 H new ATOM 0 HG2 MET A 71 -4.082 -5.022 1.069 1.00 0.64 H new ATOM 0 HG3 MET A 71 -2.691 -4.686 0.059 1.00 0.64 H new ATOM 0 HE1 MET A 71 -3.403 -3.443 4.134 1.00 2.71 H new ATOM 0 HE2 MET A 71 -3.941 -4.806 3.123 1.00 2.71 H new ATOM 0 HE3 MET A 71 -2.219 -4.629 3.535 1.00 2.71 H new ATOM 1057 N MET A 72 -6.053 -2.285 1.721 1.00 0.61 N ATOM 1058 CA MET A 72 -6.346 -1.892 3.089 1.00 0.65 C ATOM 1059 C MET A 72 -7.827 -2.100 3.414 1.00 0.68 C ATOM 1060 O MET A 72 -8.167 -2.870 4.310 1.00 0.79 O ATOM 1061 CB MET A 72 -5.982 -0.419 3.287 1.00 0.65 C ATOM 1062 CG MET A 72 -5.039 -0.243 4.479 1.00 1.09 C ATOM 1063 SD MET A 72 -5.979 -0.168 5.995 1.00 2.10 S ATOM 1064 CE MET A 72 -5.370 -1.635 6.810 1.00 3.17 C ATOM 0 H MET A 72 -5.701 -1.534 1.128 1.00 0.61 H new ATOM 0 HA MET A 72 -5.755 -2.515 3.760 1.00 0.65 H new ATOM 0 HB2 MET A 72 -5.509 -0.033 2.384 1.00 0.65 H new ATOM 0 HB3 MET A 72 -6.888 0.165 3.446 1.00 0.65 H new ATOM 0 HG2 MET A 72 -4.333 -1.072 4.520 1.00 1.09 H new ATOM 0 HG3 MET A 72 -4.454 0.669 4.359 1.00 1.09 H new ATOM 0 HE1 MET A 72 -6.108 -1.983 7.532 1.00 3.17 H new ATOM 0 HE2 MET A 72 -5.191 -2.415 6.070 1.00 3.17 H new ATOM 0 HE3 MET A 72 -4.438 -1.404 7.326 1.00 3.17 H new ATOM 1074 N ALA A 73 -8.668 -1.400 2.667 1.00 0.64 N ATOM 1075 CA ALA A 73 -10.104 -1.498 2.864 1.00 0.75 C ATOM 1076 C ALA A 73 -10.481 -2.958 3.121 1.00 0.82 C ATOM 1077 O ALA A 73 -11.074 -3.278 4.150 1.00 0.92 O ATOM 1078 CB ALA A 73 -10.827 -0.914 1.648 1.00 0.76 C ATOM 0 H ALA A 73 -8.382 -0.762 1.924 1.00 0.64 H new ATOM 0 HA ALA A 73 -10.412 -0.920 3.735 1.00 0.75 H new ATOM 0 HB1 ALA A 73 -11.904 -0.987 1.795 1.00 0.76 H new ATOM 0 HB2 ALA A 73 -10.548 0.133 1.527 1.00 0.76 H new ATOM 0 HB3 ALA A 73 -10.544 -1.471 0.755 1.00 0.76 H new ATOM 1084 N ARG A 74 -10.120 -3.805 2.168 1.00 0.79 N ATOM 1085 CA ARG A 74 -10.413 -5.224 2.278 1.00 0.91 C ATOM 1086 C ARG A 74 -9.728 -5.813 3.514 1.00 0.95 C ATOM 1087 O ARG A 74 -10.312 -6.635 4.218 1.00 1.13 O ATOM 1088 CB ARG A 74 -9.944 -5.982 1.034 1.00 0.91 C ATOM 1089 CG ARG A 74 -10.916 -5.778 -0.130 1.00 0.95 C ATOM 1090 CD ARG A 74 -11.822 -6.998 -0.308 1.00 1.14 C ATOM 1091 NE ARG A 74 -13.059 -6.609 -1.022 1.00 2.14 N ATOM 1092 CZ ARG A 74 -14.149 -6.113 -0.420 1.00 3.56 C ATOM 1093 NH1 ARG A 74 -14.161 -5.942 0.909 1.00 4.62 N ATOM 1094 NH2 ARG A 74 -15.226 -5.788 -1.148 1.00 4.60 N ATOM 0 H ARG A 74 -9.627 -3.536 1.316 1.00 0.79 H new ATOM 0 HA ARG A 74 -11.494 -5.333 2.370 1.00 0.91 H new ATOM 0 HB2 ARG A 74 -8.950 -5.638 0.747 1.00 0.91 H new ATOM 0 HB3 ARG A 74 -9.861 -7.045 1.261 1.00 0.91 H new ATOM 0 HG2 ARG A 74 -11.525 -4.892 0.051 1.00 0.95 H new ATOM 0 HG3 ARG A 74 -10.357 -5.599 -1.048 1.00 0.95 H new ATOM 0 HD2 ARG A 74 -11.297 -7.772 -0.868 1.00 1.14 H new ATOM 0 HD3 ARG A 74 -12.071 -7.421 0.665 1.00 1.14 H new ATOM 0 HE ARG A 74 -13.083 -6.726 -2.035 1.00 2.14 H new ATOM 0 HH11 ARG A 74 -13.341 -6.189 1.462 1.00 4.62 H new ATOM 0 HH12 ARG A 74 -14.990 -5.565 1.367 1.00 4.62 H new ATOM 0 HH21 ARG A 74 -15.216 -5.918 -2.160 1.00 4.60 H new ATOM 0 HH22 ARG A 74 -16.056 -5.411 -0.691 1.00 4.60 H new ATOM 1108 N LYS A 75 -8.500 -5.369 3.738 1.00 0.85 N ATOM 1109 CA LYS A 75 -7.730 -5.842 4.876 1.00 0.92 C ATOM 1110 C LYS A 75 -8.628 -5.879 6.114 1.00 0.99 C ATOM 1111 O LYS A 75 -8.826 -6.937 6.710 1.00 1.13 O ATOM 1112 CB LYS A 75 -6.468 -4.996 5.057 1.00 0.89 C ATOM 1113 CG LYS A 75 -5.456 -5.707 5.958 1.00 0.97 C ATOM 1114 CD LYS A 75 -4.695 -6.785 5.185 1.00 1.48 C ATOM 1115 CE LYS A 75 -4.997 -8.177 5.744 1.00 1.45 C ATOM 1116 NZ LYS A 75 -4.308 -9.217 4.947 1.00 2.40 N ATOM 0 H LYS A 75 -8.019 -4.687 3.151 1.00 0.85 H new ATOM 0 HA LYS A 75 -7.382 -6.860 4.704 1.00 0.92 H new ATOM 0 HB2 LYS A 75 -6.017 -4.796 4.085 1.00 0.89 H new ATOM 0 HB3 LYS A 75 -6.732 -4.031 5.491 1.00 0.89 H new ATOM 0 HG2 LYS A 75 -4.752 -4.981 6.364 1.00 0.97 H new ATOM 0 HG3 LYS A 75 -5.972 -6.158 6.805 1.00 0.97 H new ATOM 0 HD2 LYS A 75 -4.971 -6.745 4.131 1.00 1.48 H new ATOM 0 HD3 LYS A 75 -3.624 -6.591 5.242 1.00 1.48 H new ATOM 0 HE2 LYS A 75 -4.676 -8.235 6.784 1.00 1.45 H new ATOM 0 HE3 LYS A 75 -6.072 -8.355 5.732 1.00 1.45 H new ATOM 0 HZ1 LYS A 75 -4.725 -10.147 5.155 1.00 2.40 H new ATOM 0 HZ2 LYS A 75 -4.418 -9.008 3.934 1.00 2.40 H new ATOM 0 HZ3 LYS A 75 -3.297 -9.228 5.191 1.00 2.40 H new ATOM 1130 N MET A 76 -9.147 -4.711 6.465 1.00 0.93 N ATOM 1131 CA MET A 76 -10.020 -4.597 7.621 1.00 1.03 C ATOM 1132 C MET A 76 -11.129 -5.651 7.577 1.00 1.07 C ATOM 1133 O MET A 76 -11.437 -6.274 8.592 1.00 1.17 O ATOM 1134 CB MET A 76 -10.643 -3.200 7.655 1.00 1.12 C ATOM 1135 CG MET A 76 -9.658 -2.174 8.219 1.00 1.65 C ATOM 1136 SD MET A 76 -10.315 -1.457 9.716 1.00 2.27 S ATOM 1137 CE MET A 76 -9.873 -2.728 10.888 1.00 3.72 C ATOM 0 H MET A 76 -8.980 -3.836 5.969 1.00 0.93 H new ATOM 0 HA MET A 76 -9.425 -4.761 8.520 1.00 1.03 H new ATOM 0 HB2 MET A 76 -10.943 -2.907 6.649 1.00 1.12 H new ATOM 0 HB3 MET A 76 -11.546 -3.216 8.265 1.00 1.12 H new ATOM 0 HG2 MET A 76 -8.700 -2.652 8.425 1.00 1.65 H new ATOM 0 HG3 MET A 76 -9.473 -1.392 7.482 1.00 1.65 H new ATOM 0 HE1 MET A 76 -10.212 -2.439 11.883 1.00 3.72 H new ATOM 0 HE2 MET A 76 -10.346 -3.667 10.602 1.00 3.72 H new ATOM 0 HE3 MET A 76 -8.790 -2.855 10.896 1.00 3.72 H new ATOM 1147 N LYS A 77 -11.697 -5.816 6.392 1.00 1.09 N ATOM 1148 CA LYS A 77 -12.765 -6.783 6.203 1.00 1.18 C ATOM 1149 C LYS A 77 -12.249 -8.181 6.551 1.00 1.27 C ATOM 1150 O LYS A 77 -12.845 -8.880 7.370 1.00 1.43 O ATOM 1151 CB LYS A 77 -13.342 -6.675 4.790 1.00 1.24 C ATOM 1152 CG LYS A 77 -14.865 -6.533 4.829 1.00 1.47 C ATOM 1153 CD LYS A 77 -15.317 -5.268 4.097 1.00 2.15 C ATOM 1154 CE LYS A 77 -15.604 -4.135 5.084 1.00 2.95 C ATOM 1155 NZ LYS A 77 -16.419 -3.080 4.441 1.00 3.99 N ATOM 0 H LYS A 77 -11.438 -5.297 5.553 1.00 1.09 H new ATOM 0 HA LYS A 77 -13.594 -6.571 6.878 1.00 1.18 H new ATOM 0 HB2 LYS A 77 -12.906 -5.816 4.280 1.00 1.24 H new ATOM 0 HB3 LYS A 77 -13.070 -7.559 4.214 1.00 1.24 H new ATOM 0 HG2 LYS A 77 -15.327 -7.407 4.371 1.00 1.47 H new ATOM 0 HG3 LYS A 77 -15.204 -6.499 5.864 1.00 1.47 H new ATOM 0 HD2 LYS A 77 -14.545 -4.955 3.394 1.00 2.15 H new ATOM 0 HD3 LYS A 77 -16.212 -5.482 3.513 1.00 2.15 H new ATOM 0 HE2 LYS A 77 -16.129 -4.528 5.955 1.00 2.95 H new ATOM 0 HE3 LYS A 77 -14.666 -3.710 5.442 1.00 2.95 H new ATOM 0 HZ1 LYS A 77 -16.604 -2.319 5.125 1.00 3.99 H new ATOM 0 HZ2 LYS A 77 -15.904 -2.693 3.624 1.00 3.99 H new ATOM 0 HZ3 LYS A 77 -17.322 -3.485 4.121 1.00 3.99 H new ATOM 1169 N ASP A 78 -11.148 -8.546 5.912 1.00 1.25 N ATOM 1170 CA ASP A 78 -10.545 -9.848 6.144 1.00 1.43 C ATOM 1171 C ASP A 78 -10.179 -9.979 7.624 1.00 1.52 C ATOM 1172 O ASP A 78 -10.682 -10.863 8.316 1.00 1.68 O ATOM 1173 CB ASP A 78 -9.265 -10.016 5.323 1.00 1.56 C ATOM 1174 CG ASP A 78 -9.384 -10.962 4.127 1.00 2.21 C ATOM 1175 OD1 ASP A 78 -10.360 -10.793 3.364 1.00 3.57 O ATOM 1176 OD2 ASP A 78 -8.497 -11.834 4.002 1.00 2.26 O ATOM 0 H ASP A 78 -10.657 -7.963 5.234 1.00 1.25 H new ATOM 0 HA ASP A 78 -11.265 -10.611 5.849 1.00 1.43 H new ATOM 0 HB2 ASP A 78 -8.951 -9.036 4.962 1.00 1.56 H new ATOM 0 HB3 ASP A 78 -8.476 -10.382 5.979 1.00 1.56 H new ATOM 1181 N THR A 79 -9.305 -9.086 8.065 1.00 1.49 N ATOM 1182 CA THR A 79 -8.865 -9.091 9.450 1.00 1.64 C ATOM 1183 C THR A 79 -10.055 -8.879 10.388 1.00 1.65 C ATOM 1184 O THR A 79 -10.264 -9.658 11.317 1.00 1.88 O ATOM 1185 CB THR A 79 -7.774 -8.030 9.604 1.00 1.64 C ATOM 1186 OG1 THR A 79 -7.185 -8.318 10.869 1.00 2.05 O ATOM 1187 CG2 THR A 79 -8.346 -6.621 9.770 1.00 1.70 C ATOM 0 H THR A 79 -8.890 -8.354 7.488 1.00 1.49 H new ATOM 0 HA THR A 79 -8.441 -10.056 9.726 1.00 1.64 H new ATOM 0 HB THR A 79 -7.119 -8.055 8.733 1.00 1.64 H new ATOM 0 HG1 THR A 79 -6.465 -7.677 11.048 1.00 2.05 H new ATOM 0 HG21 THR A 79 -7.529 -5.907 9.875 1.00 1.70 H new ATOM 0 HG22 THR A 79 -8.942 -6.365 8.894 1.00 1.70 H new ATOM 0 HG23 THR A 79 -8.975 -6.586 10.659 1.00 1.70 H new TER 1195 THR A 79 HETATM 1196 CA CA A 80 7.202 5.504 -5.598 1.00 0.64 CA HETATM 1197 CA CA A 81 0.118 -1.966 -10.199 1.00 0.52 CA