USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 617 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 52 GLN : amide:sc= -1.27 X(o=-1.1,f=-0.6) USER MOD Set 1.2: A 61 SER OG : rot 170:sc= 0.207 USER MOD Set 2.1: A 29 MET CE :methyl 163:sc= -0.0814 (180deg=-0.426) USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 3 SER OG : rot -75:sc= 1.36 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 31:sc= 0.115 USER MOD Single : A 11 GLN : amide:sc= -0.768 K(o=-0.77,f=-4.9!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= 0.241 K(o=0.24,f=-6.1!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0198 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -130:sc= -6.94! (180deg=-8.91!) USER MOD Single : A 37 CYS SG : rot 152:sc= -0.747 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -126:sc= 1.02 (180deg=-0.0463) USER MOD Single : A 54 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.14) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 1.15 (180deg=0.936) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N PHE A 2 -2.242 4.708 9.622 1.00 15.23 N ATOM 19 CA PHE A 2 -2.674 3.441 9.063 1.00 72.25 C ATOM 20 C PHE A 2 -1.756 3.076 7.909 1.00 13.32 C ATOM 21 O PHE A 2 -1.813 3.689 6.841 1.00 51.01 O ATOM 22 CB PHE A 2 -4.131 3.538 8.593 1.00 42.23 C ATOM 23 CG PHE A 2 -4.728 2.233 8.146 1.00 61.10 C ATOM 24 CD1 PHE A 2 -5.214 1.327 9.074 1.00 23.33 C ATOM 25 CD2 PHE A 2 -4.811 1.917 6.798 1.00 12.24 C ATOM 26 CE1 PHE A 2 -5.773 0.130 8.667 1.00 2.12 C ATOM 27 CE2 PHE A 2 -5.366 0.723 6.386 1.00 11.34 C ATOM 28 CZ PHE A 2 -5.849 -0.171 7.322 1.00 54.10 C ATOM 0 HA PHE A 2 -2.621 2.662 9.824 1.00 72.25 H new ATOM 0 HB2 PHE A 2 -4.736 3.941 9.405 1.00 42.23 H new ATOM 0 HB3 PHE A 2 -4.188 4.250 7.770 1.00 42.23 H new ATOM 0 HD1 PHE A 2 -5.156 1.558 10.127 1.00 23.33 H new ATOM 0 HD2 PHE A 2 -4.437 2.614 6.062 1.00 12.24 H new ATOM 0 HE1 PHE A 2 -6.150 -0.568 9.400 1.00 2.12 H new ATOM 0 HE2 PHE A 2 -5.423 0.488 5.334 1.00 11.34 H new ATOM 0 HZ PHE A 2 -6.286 -1.105 7.001 1.00 54.10 H new ATOM 38 N SER A 3 -0.886 2.105 8.134 1.00 34.05 N ATOM 39 CA SER A 3 0.085 1.730 7.126 1.00 30.34 C ATOM 40 C SER A 3 -0.527 0.742 6.145 1.00 32.13 C ATOM 41 O SER A 3 -1.590 0.176 6.404 1.00 63.12 O ATOM 42 CB SER A 3 1.334 1.129 7.780 1.00 52.35 C ATOM 43 OG SER A 3 1.036 -0.085 8.452 1.00 52.44 O ATOM 0 H SER A 3 -0.834 1.567 8.999 1.00 34.05 H new ATOM 0 HA SER A 3 0.380 2.626 6.580 1.00 30.34 H new ATOM 0 HB2 SER A 3 2.093 0.948 7.019 1.00 52.35 H new ATOM 0 HB3 SER A 3 1.755 1.844 8.487 1.00 52.35 H new ATOM 0 HG SER A 3 0.563 0.111 9.288 1.00 52.44 H new ATOM 49 N LEU A 4 0.144 0.532 5.022 1.00 13.45 N ATOM 50 CA LEU A 4 -0.311 -0.436 4.039 1.00 30.32 C ATOM 51 C LEU A 4 -0.145 -1.847 4.598 1.00 63.13 C ATOM 52 O LEU A 4 -0.721 -2.809 4.092 1.00 62.11 O ATOM 53 CB LEU A 4 0.468 -0.267 2.734 1.00 42.50 C ATOM 54 CG LEU A 4 -0.128 -0.984 1.524 1.00 2.32 C ATOM 55 CD1 LEU A 4 -1.579 -0.580 1.330 1.00 40.14 C ATOM 56 CD2 LEU A 4 0.678 -0.670 0.275 1.00 4.35 C ATOM 0 H LEU A 4 1.004 1.019 4.770 1.00 13.45 H new ATOM 0 HA LEU A 4 -1.367 -0.269 3.824 1.00 30.32 H new ATOM 0 HB2 LEU A 4 0.539 0.797 2.507 1.00 42.50 H new ATOM 0 HB3 LEU A 4 1.485 -0.629 2.887 1.00 42.50 H new ATOM 0 HG LEU A 4 -0.088 -2.058 1.704 1.00 2.32 H new ATOM 0 HD11 LEU A 4 -1.989 -1.100 0.464 1.00 40.14 H new ATOM 0 HD12 LEU A 4 -2.153 -0.846 2.218 1.00 40.14 H new ATOM 0 HD13 LEU A 4 -1.639 0.496 1.169 1.00 40.14 H new ATOM 0 HD21 LEU A 4 0.242 -1.188 -0.579 1.00 4.35 H new ATOM 0 HD22 LEU A 4 0.664 0.405 0.094 1.00 4.35 H new ATOM 0 HD23 LEU A 4 1.707 -1.001 0.413 1.00 4.35 H new ATOM 68 N ARG A 5 0.654 -1.948 5.653 1.00 71.23 N ATOM 69 CA ARG A 5 0.813 -3.186 6.393 1.00 11.35 C ATOM 70 C ARG A 5 -0.460 -3.452 7.197 1.00 12.02 C ATOM 71 O ARG A 5 -0.929 -4.588 7.285 1.00 2.24 O ATOM 72 CB ARG A 5 2.031 -3.053 7.318 1.00 41.15 C ATOM 73 CG ARG A 5 2.764 -4.350 7.625 1.00 21.25 C ATOM 74 CD ARG A 5 2.156 -5.116 8.793 1.00 11.21 C ATOM 75 NE ARG A 5 1.030 -5.958 8.392 1.00 53.30 N ATOM 76 CZ ARG A 5 0.868 -7.221 8.780 1.00 54.11 C ATOM 77 NH1 ARG A 5 1.750 -7.795 9.590 1.00 70.43 N ATOM 78 NH2 ARG A 5 -0.182 -7.918 8.362 1.00 21.22 N ATOM 0 H ARG A 5 1.208 -1.173 6.017 1.00 71.23 H new ATOM 0 HA ARG A 5 0.976 -4.025 5.716 1.00 11.35 H new ATOM 0 HB2 ARG A 5 2.736 -2.356 6.864 1.00 41.15 H new ATOM 0 HB3 ARG A 5 1.705 -2.609 8.258 1.00 41.15 H new ATOM 0 HG2 ARG A 5 2.756 -4.984 6.738 1.00 21.25 H new ATOM 0 HG3 ARG A 5 3.807 -4.127 7.848 1.00 21.25 H new ATOM 0 HD2 ARG A 5 2.924 -5.738 9.253 1.00 11.21 H new ATOM 0 HD3 ARG A 5 1.823 -4.408 9.552 1.00 11.21 H new ATOM 0 HE ARG A 5 0.325 -5.552 7.777 1.00 53.30 H new ATOM 0 HH11 ARG A 5 2.559 -7.268 9.919 1.00 70.43 H new ATOM 0 HH12 ARG A 5 1.619 -8.763 9.883 1.00 70.43 H new ATOM 0 HH21 ARG A 5 -0.867 -7.486 7.742 1.00 21.22 H new ATOM 0 HH22 ARG A 5 -0.304 -8.886 8.661 1.00 21.22 H new ATOM 92 N ASP A 6 -1.027 -2.384 7.756 1.00 53.23 N ATOM 93 CA ASP A 6 -2.250 -2.478 8.558 1.00 74.43 C ATOM 94 C ASP A 6 -3.448 -2.841 7.692 1.00 43.52 C ATOM 95 O ASP A 6 -4.458 -3.341 8.194 1.00 33.54 O ATOM 96 CB ASP A 6 -2.545 -1.155 9.278 1.00 61.24 C ATOM 97 CG ASP A 6 -1.597 -0.865 10.419 1.00 64.25 C ATOM 98 OD1 ASP A 6 -1.722 -1.512 11.479 1.00 14.15 O ATOM 99 OD2 ASP A 6 -0.743 0.037 10.273 1.00 72.44 O ATOM 0 H ASP A 6 -0.658 -1.437 7.668 1.00 53.23 H new ATOM 0 HA ASP A 6 -2.085 -3.263 9.296 1.00 74.43 H new ATOM 0 HB2 ASP A 6 -2.494 -0.339 8.557 1.00 61.24 H new ATOM 0 HB3 ASP A 6 -3.565 -1.179 9.661 1.00 61.24 H new ATOM 105 N ALA A 7 -3.338 -2.572 6.399 1.00 63.54 N ATOM 106 CA ALA A 7 -4.406 -2.869 5.457 1.00 70.23 C ATOM 107 C ALA A 7 -4.615 -4.374 5.330 1.00 12.12 C ATOM 108 O ALA A 7 -3.710 -5.165 5.599 1.00 0.30 O ATOM 109 CB ALA A 7 -4.097 -2.253 4.101 1.00 61.40 C ATOM 0 H ALA A 7 -2.513 -2.145 5.977 1.00 63.54 H new ATOM 0 HA ALA A 7 -5.330 -2.432 5.835 1.00 70.23 H new ATOM 0 HB1 ALA A 7 -4.904 -2.482 3.405 1.00 61.40 H new ATOM 0 HB2 ALA A 7 -4.004 -1.172 4.205 1.00 61.40 H new ATOM 0 HB3 ALA A 7 -3.162 -2.663 3.720 1.00 61.40 H new ATOM 115 N LYS A 8 -5.815 -4.766 4.929 1.00 23.41 N ATOM 116 CA LYS A 8 -6.151 -6.175 4.804 1.00 45.22 C ATOM 117 C LYS A 8 -6.332 -6.541 3.335 1.00 14.30 C ATOM 118 O LYS A 8 -6.557 -5.667 2.497 1.00 44.03 O ATOM 119 CB LYS A 8 -7.434 -6.485 5.582 1.00 22.30 C ATOM 120 CG LYS A 8 -7.423 -5.991 7.024 1.00 25.01 C ATOM 121 CD LYS A 8 -6.285 -6.599 7.828 1.00 61.55 C ATOM 122 CE LYS A 8 -6.268 -6.065 9.254 1.00 42.01 C ATOM 123 NZ LYS A 8 -5.151 -6.639 10.048 1.00 41.31 N ATOM 0 H LYS A 8 -6.572 -4.128 4.685 1.00 23.41 H new ATOM 0 HA LYS A 8 -5.336 -6.767 5.220 1.00 45.22 H new ATOM 0 HB2 LYS A 8 -8.279 -6.035 5.062 1.00 22.30 H new ATOM 0 HB3 LYS A 8 -7.596 -7.563 5.580 1.00 22.30 H new ATOM 0 HG2 LYS A 8 -7.333 -4.905 7.034 1.00 25.01 H new ATOM 0 HG3 LYS A 8 -8.373 -6.237 7.498 1.00 25.01 H new ATOM 0 HD2 LYS A 8 -6.388 -7.684 7.845 1.00 61.55 H new ATOM 0 HD3 LYS A 8 -5.335 -6.377 7.343 1.00 61.55 H new ATOM 0 HE2 LYS A 8 -6.178 -4.979 9.234 1.00 42.01 H new ATOM 0 HE3 LYS A 8 -7.216 -6.297 9.740 1.00 42.01 H new ATOM 0 HZ1 LYS A 8 -5.175 -6.250 11.012 1.00 41.31 H new ATOM 0 HZ2 LYS A 8 -5.250 -7.673 10.089 1.00 41.31 H new ATOM 0 HZ3 LYS A 8 -4.245 -6.396 9.599 1.00 41.31 H new ATOM 137 N CYS A 9 -6.242 -7.827 3.025 1.00 62.45 N ATOM 138 CA CYS A 9 -6.396 -8.286 1.655 1.00 30.22 C ATOM 139 C CYS A 9 -7.858 -8.224 1.233 1.00 33.43 C ATOM 140 O CYS A 9 -8.760 -8.513 2.025 1.00 24.40 O ATOM 141 CB CYS A 9 -5.848 -9.705 1.501 1.00 31.14 C ATOM 142 SG CYS A 9 -6.497 -10.884 2.704 1.00 51.24 S ATOM 0 H CYS A 9 -6.064 -8.568 3.703 1.00 62.45 H new ATOM 0 HA CYS A 9 -5.824 -7.626 1.003 1.00 30.22 H new ATOM 0 HB2 CYS A 9 -6.077 -10.064 0.498 1.00 31.14 H new ATOM 0 HB3 CYS A 9 -4.762 -9.674 1.589 1.00 31.14 H new ATOM 0 HG CYS A 9 -7.705 -10.541 3.039 1.00 51.24 H new ATOM 148 N GLY A 10 -8.088 -7.822 -0.008 1.00 33.42 N ATOM 149 CA GLY A 10 -9.438 -7.662 -0.503 1.00 13.12 C ATOM 150 C GLY A 10 -9.941 -6.252 -0.288 1.00 41.42 C ATOM 151 O GLY A 10 -11.086 -5.925 -0.611 1.00 2.22 O ATOM 0 H GLY A 10 -7.357 -7.602 -0.685 1.00 33.42 H new ATOM 0 HA2 GLY A 10 -9.468 -7.903 -1.566 1.00 13.12 H new ATOM 0 HA3 GLY A 10 -10.098 -8.367 0.002 1.00 13.12 H new ATOM 155 N GLN A 11 -9.074 -5.416 0.262 1.00 53.52 N ATOM 156 CA GLN A 11 -9.408 -4.031 0.544 1.00 65.43 C ATOM 157 C GLN A 11 -8.757 -3.108 -0.473 1.00 54.42 C ATOM 158 O GLN A 11 -7.710 -3.430 -1.040 1.00 1.40 O ATOM 159 CB GLN A 11 -8.942 -3.639 1.950 1.00 25.22 C ATOM 160 CG GLN A 11 -9.665 -4.362 3.073 1.00 34.12 C ATOM 161 CD GLN A 11 -11.094 -3.886 3.259 1.00 43.12 C ATOM 162 OE1 GLN A 11 -11.765 -3.476 2.310 1.00 41.11 O ATOM 163 NE2 GLN A 11 -11.564 -3.925 4.495 1.00 25.35 N ATOM 0 H GLN A 11 -8.124 -5.678 0.524 1.00 53.52 H new ATOM 0 HA GLN A 11 -10.492 -3.929 0.483 1.00 65.43 H new ATOM 0 HB2 GLN A 11 -7.874 -3.838 2.034 1.00 25.22 H new ATOM 0 HB3 GLN A 11 -9.078 -2.565 2.079 1.00 25.22 H new ATOM 0 HG2 GLN A 11 -9.668 -5.432 2.866 1.00 34.12 H new ATOM 0 HG3 GLN A 11 -9.116 -4.218 4.003 1.00 34.12 H new ATOM 0 HE21 GLN A 11 -10.976 -4.272 5.253 1.00 25.35 H new ATOM 0 HE22 GLN A 11 -12.514 -3.609 4.690 1.00 25.35 H new ATOM 172 N THR A 12 -9.386 -1.973 -0.703 1.00 23.11 N ATOM 173 CA THR A 12 -8.813 -0.938 -1.537 1.00 41.50 C ATOM 174 C THR A 12 -8.456 0.259 -0.666 1.00 44.43 C ATOM 175 O THR A 12 -9.267 0.702 0.149 1.00 12.10 O ATOM 176 CB THR A 12 -9.795 -0.509 -2.647 1.00 12.55 C ATOM 177 OG1 THR A 12 -10.221 -1.666 -3.383 1.00 41.44 O ATOM 178 CG2 THR A 12 -9.153 0.491 -3.600 1.00 11.21 C ATOM 0 H THR A 12 -10.303 -1.744 -0.319 1.00 23.11 H new ATOM 0 HA THR A 12 -7.917 -1.330 -2.018 1.00 41.50 H new ATOM 0 HB THR A 12 -10.652 -0.028 -2.176 1.00 12.55 H new ATOM 0 HG1 THR A 12 -10.846 -1.394 -4.087 1.00 41.44 H new ATOM 0 HG21 THR A 12 -9.871 0.773 -4.370 1.00 11.21 H new ATOM 0 HG22 THR A 12 -8.849 1.379 -3.045 1.00 11.21 H new ATOM 0 HG23 THR A 12 -8.279 0.038 -4.068 1.00 11.21 H new ATOM 186 N VAL A 13 -7.237 0.746 -0.796 1.00 22.14 N ATOM 187 CA VAL A 13 -6.798 1.898 -0.026 1.00 42.41 C ATOM 188 C VAL A 13 -6.187 2.948 -0.938 1.00 63.02 C ATOM 189 O VAL A 13 -5.996 2.708 -2.129 1.00 31.13 O ATOM 190 CB VAL A 13 -5.766 1.509 1.056 1.00 40.01 C ATOM 191 CG1 VAL A 13 -6.377 0.551 2.068 1.00 44.42 C ATOM 192 CG2 VAL A 13 -4.528 0.902 0.420 1.00 33.11 C ATOM 0 H VAL A 13 -6.532 0.364 -1.426 1.00 22.14 H new ATOM 0 HA VAL A 13 -7.681 2.304 0.468 1.00 42.41 H new ATOM 0 HB VAL A 13 -5.470 2.415 1.585 1.00 40.01 H new ATOM 0 HG11 VAL A 13 -5.631 0.292 2.820 1.00 44.42 H new ATOM 0 HG12 VAL A 13 -7.229 1.028 2.552 1.00 44.42 H new ATOM 0 HG13 VAL A 13 -6.709 -0.354 1.558 1.00 44.42 H new ATOM 0 HG21 VAL A 13 -3.813 0.635 1.198 1.00 33.11 H new ATOM 0 HG22 VAL A 13 -4.807 0.009 -0.139 1.00 33.11 H new ATOM 0 HG23 VAL A 13 -4.074 1.626 -0.256 1.00 33.11 H new ATOM 202 N LYS A 14 -5.888 4.106 -0.380 1.00 24.13 N ATOM 203 CA LYS A 14 -5.271 5.185 -1.136 1.00 55.44 C ATOM 204 C LYS A 14 -4.060 5.730 -0.402 1.00 34.34 C ATOM 205 O LYS A 14 -4.127 6.009 0.794 1.00 5.01 O ATOM 206 CB LYS A 14 -6.284 6.298 -1.382 1.00 31.05 C ATOM 207 CG LYS A 14 -6.867 6.291 -2.786 1.00 23.35 C ATOM 208 CD LYS A 14 -8.310 6.767 -2.797 1.00 54.25 C ATOM 209 CE LYS A 14 -8.498 8.061 -2.022 1.00 21.33 C ATOM 210 NZ LYS A 14 -9.936 8.399 -1.856 1.00 50.15 N ATOM 0 H LYS A 14 -6.063 4.326 0.600 1.00 24.13 H new ATOM 0 HA LYS A 14 -4.940 4.789 -2.096 1.00 55.44 H new ATOM 0 HB2 LYS A 14 -7.095 6.205 -0.660 1.00 31.05 H new ATOM 0 HB3 LYS A 14 -5.805 7.260 -1.201 1.00 31.05 H new ATOM 0 HG2 LYS A 14 -6.267 6.932 -3.432 1.00 23.35 H new ATOM 0 HG3 LYS A 14 -6.813 5.283 -3.198 1.00 23.35 H new ATOM 0 HD2 LYS A 14 -8.634 6.913 -3.827 1.00 54.25 H new ATOM 0 HD3 LYS A 14 -8.948 5.994 -2.369 1.00 54.25 H new ATOM 0 HE2 LYS A 14 -8.030 7.969 -1.042 1.00 21.33 H new ATOM 0 HE3 LYS A 14 -7.991 8.874 -2.542 1.00 21.33 H new ATOM 0 HZ1 LYS A 14 -10.024 9.288 -1.323 1.00 50.15 H new ATOM 0 HZ2 LYS A 14 -10.376 8.511 -2.791 1.00 50.15 H new ATOM 0 HZ3 LYS A 14 -10.415 7.635 -1.337 1.00 50.15 H new ATOM 224 N VAL A 15 -2.958 5.871 -1.119 1.00 21.13 N ATOM 225 CA VAL A 15 -1.730 6.387 -0.531 1.00 43.01 C ATOM 226 C VAL A 15 -1.844 7.887 -0.317 1.00 3.34 C ATOM 227 O VAL A 15 -1.967 8.651 -1.275 1.00 75.30 O ATOM 228 CB VAL A 15 -0.502 6.095 -1.417 1.00 21.32 C ATOM 229 CG1 VAL A 15 0.773 6.611 -0.763 1.00 71.45 C ATOM 230 CG2 VAL A 15 -0.391 4.609 -1.704 1.00 34.11 C ATOM 0 H VAL A 15 -2.887 5.636 -2.109 1.00 21.13 H new ATOM 0 HA VAL A 15 -1.591 5.881 0.424 1.00 43.01 H new ATOM 0 HB VAL A 15 -0.634 6.619 -2.364 1.00 21.32 H new ATOM 0 HG11 VAL A 15 1.626 6.394 -1.406 1.00 71.45 H new ATOM 0 HG12 VAL A 15 0.696 7.688 -0.615 1.00 71.45 H new ATOM 0 HG13 VAL A 15 0.912 6.121 0.201 1.00 71.45 H new ATOM 0 HG21 VAL A 15 0.482 4.424 -2.330 1.00 34.11 H new ATOM 0 HG22 VAL A 15 -0.287 4.064 -0.766 1.00 34.11 H new ATOM 0 HG23 VAL A 15 -1.288 4.271 -2.222 1.00 34.11 H new ATOM 240 N VAL A 16 -1.814 8.303 0.937 1.00 51.44 N ATOM 241 CA VAL A 16 -1.945 9.711 1.264 1.00 15.54 C ATOM 242 C VAL A 16 -0.625 10.302 1.732 1.00 62.12 C ATOM 243 O VAL A 16 -0.290 11.438 1.393 1.00 3.43 O ATOM 244 CB VAL A 16 -3.039 9.960 2.327 1.00 72.21 C ATOM 245 CG1 VAL A 16 -4.421 9.768 1.725 1.00 45.54 C ATOM 246 CG2 VAL A 16 -2.859 9.044 3.531 1.00 55.53 C ATOM 0 H VAL A 16 -1.700 7.688 1.743 1.00 51.44 H new ATOM 0 HA VAL A 16 -2.245 10.213 0.344 1.00 15.54 H new ATOM 0 HB VAL A 16 -2.942 10.991 2.668 1.00 72.21 H new ATOM 0 HG11 VAL A 16 -5.178 9.947 2.488 1.00 45.54 H new ATOM 0 HG12 VAL A 16 -4.561 10.470 0.903 1.00 45.54 H new ATOM 0 HG13 VAL A 16 -4.517 8.748 1.351 1.00 45.54 H new ATOM 0 HG21 VAL A 16 -3.644 9.244 4.261 1.00 55.53 H new ATOM 0 HG22 VAL A 16 -2.919 8.004 3.209 1.00 55.53 H new ATOM 0 HG23 VAL A 16 -1.886 9.228 3.986 1.00 55.53 H new ATOM 256 N LYS A 17 0.122 9.535 2.501 1.00 14.20 N ATOM 257 CA LYS A 17 1.415 9.982 2.989 1.00 22.34 C ATOM 258 C LYS A 17 2.455 8.897 2.793 1.00 12.12 C ATOM 259 O LYS A 17 2.129 7.715 2.699 1.00 34.33 O ATOM 260 CB LYS A 17 1.343 10.352 4.473 1.00 11.42 C ATOM 261 CG LYS A 17 0.427 11.523 4.782 1.00 23.33 C ATOM 262 CD LYS A 17 0.373 11.810 6.274 1.00 40.42 C ATOM 263 CE LYS A 17 1.754 12.113 6.840 1.00 72.54 C ATOM 264 NZ LYS A 17 1.710 12.415 8.295 1.00 60.35 N ATOM 0 H LYS A 17 -0.143 8.597 2.803 1.00 14.20 H new ATOM 0 HA LYS A 17 1.699 10.867 2.419 1.00 22.34 H new ATOM 0 HB2 LYS A 17 1.004 9.482 5.036 1.00 11.42 H new ATOM 0 HB3 LYS A 17 2.347 10.588 4.825 1.00 11.42 H new ATOM 0 HG2 LYS A 17 0.777 12.409 4.252 1.00 23.33 H new ATOM 0 HG3 LYS A 17 -0.577 11.308 4.415 1.00 23.33 H new ATOM 0 HD2 LYS A 17 -0.289 12.656 6.458 1.00 40.42 H new ATOM 0 HD3 LYS A 17 -0.053 10.952 6.794 1.00 40.42 H new ATOM 0 HE2 LYS A 17 2.411 11.260 6.667 1.00 72.54 H new ATOM 0 HE3 LYS A 17 2.185 12.961 6.307 1.00 72.54 H new ATOM 0 HZ1 LYS A 17 2.671 12.615 8.637 1.00 60.35 H new ATOM 0 HZ2 LYS A 17 1.104 13.244 8.459 1.00 60.35 H new ATOM 0 HZ3 LYS A 17 1.323 11.597 8.808 1.00 60.35 H new ATOM 278 N LEU A 18 3.706 9.301 2.736 1.00 32.51 N ATOM 279 CA LEU A 18 4.804 8.361 2.617 1.00 51.12 C ATOM 280 C LEU A 18 5.838 8.638 3.693 1.00 2.24 C ATOM 281 O LEU A 18 6.435 9.713 3.727 1.00 44.41 O ATOM 282 CB LEU A 18 5.446 8.454 1.231 1.00 2.35 C ATOM 283 CG LEU A 18 4.585 7.933 0.075 1.00 40.50 C ATOM 284 CD1 LEU A 18 5.289 8.166 -1.254 1.00 62.04 C ATOM 285 CD2 LEU A 18 4.287 6.450 0.264 1.00 70.41 C ATOM 0 H LEU A 18 3.991 10.280 2.770 1.00 32.51 H new ATOM 0 HA LEU A 18 4.415 7.351 2.747 1.00 51.12 H new ATOM 0 HB2 LEU A 18 5.697 9.496 1.034 1.00 2.35 H new ATOM 0 HB3 LEU A 18 6.383 7.897 1.244 1.00 2.35 H new ATOM 0 HG LEU A 18 3.642 8.479 0.069 1.00 40.50 H new ATOM 0 HD11 LEU A 18 4.666 7.791 -2.066 1.00 62.04 H new ATOM 0 HD12 LEU A 18 5.462 9.233 -1.392 1.00 62.04 H new ATOM 0 HD13 LEU A 18 6.244 7.641 -1.257 1.00 62.04 H new ATOM 0 HD21 LEU A 18 3.675 6.093 -0.564 1.00 70.41 H new ATOM 0 HD22 LEU A 18 5.223 5.891 0.290 1.00 70.41 H new ATOM 0 HD23 LEU A 18 3.750 6.303 1.201 1.00 70.41 H new ATOM 297 N HIS A 19 6.026 7.678 4.582 1.00 14.40 N ATOM 298 CA HIS A 19 6.992 7.816 5.659 1.00 14.30 C ATOM 299 C HIS A 19 8.362 7.364 5.181 1.00 32.34 C ATOM 300 O HIS A 19 8.470 6.560 4.255 1.00 51.12 O ATOM 301 CB HIS A 19 6.576 6.995 6.887 1.00 55.23 C ATOM 302 CG HIS A 19 5.282 7.427 7.509 1.00 41.53 C ATOM 303 ND1 HIS A 19 5.212 8.299 8.574 1.00 4.43 N ATOM 304 CD2 HIS A 19 4.002 7.091 7.219 1.00 24.52 C ATOM 305 CE1 HIS A 19 3.949 8.480 8.911 1.00 2.33 C ATOM 306 NE2 HIS A 19 3.193 7.757 8.105 1.00 30.45 N ATOM 0 H HIS A 19 5.521 6.792 4.579 1.00 14.40 H new ATOM 0 HA HIS A 19 7.031 8.866 5.948 1.00 14.30 H new ATOM 0 HB2 HIS A 19 6.495 5.947 6.598 1.00 55.23 H new ATOM 0 HB3 HIS A 19 7.365 7.059 7.636 1.00 55.23 H new ATOM 0 HD2 HIS A 19 3.678 6.422 6.435 1.00 24.52 H new ATOM 0 HE1 HIS A 19 3.594 9.113 9.711 1.00 2.33 H new ATOM 0 HE2 HIS A 19 2.175 7.703 8.136 1.00 30.45 H new ATOM 315 N GLY A 20 9.396 7.887 5.805 1.00 73.13 N ATOM 316 CA GLY A 20 10.742 7.541 5.421 1.00 44.03 C ATOM 317 C GLY A 20 11.588 8.767 5.184 1.00 61.50 C ATOM 318 O GLY A 20 11.089 9.892 5.240 1.00 31.12 O ATOM 0 H GLY A 20 9.328 8.550 6.577 1.00 73.13 H new ATOM 0 HA2 GLY A 20 11.197 6.930 6.201 1.00 44.03 H new ATOM 0 HA3 GLY A 20 10.718 6.935 4.515 1.00 44.03 H new ATOM 322 N THR A 21 12.861 8.555 4.911 1.00 3.32 N ATOM 323 CA THR A 21 13.790 9.650 4.721 1.00 3.02 C ATOM 324 C THR A 21 13.660 10.259 3.326 1.00 0.44 C ATOM 325 O THR A 21 13.294 11.426 3.181 1.00 3.51 O ATOM 326 CB THR A 21 15.229 9.175 4.962 1.00 74.21 C ATOM 327 OG1 THR A 21 15.514 8.039 4.134 1.00 25.50 O ATOM 328 CG2 THR A 21 15.420 8.800 6.421 1.00 62.01 C ATOM 0 H THR A 21 13.276 7.628 4.816 1.00 3.32 H new ATOM 0 HA THR A 21 13.544 10.425 5.447 1.00 3.02 H new ATOM 0 HB THR A 21 15.911 9.987 4.710 1.00 74.21 H new ATOM 0 HG1 THR A 21 16.435 7.742 4.292 1.00 25.50 H new ATOM 0 HG21 THR A 21 16.445 8.465 6.579 1.00 62.01 H new ATOM 0 HG22 THR A 21 15.221 9.669 7.049 1.00 62.01 H new ATOM 0 HG23 THR A 21 14.731 7.997 6.684 1.00 62.01 H new ATOM 336 N GLY A 22 13.956 9.469 2.303 1.00 24.01 N ATOM 337 CA GLY A 22 13.839 9.951 0.940 1.00 21.52 C ATOM 338 C GLY A 22 14.028 8.852 -0.087 1.00 21.14 C ATOM 339 O GLY A 22 13.145 8.612 -0.913 1.00 11.55 O ATOM 0 H GLY A 22 14.275 8.504 2.392 1.00 24.01 H new ATOM 0 HA2 GLY A 22 12.858 10.406 0.803 1.00 21.52 H new ATOM 0 HA3 GLY A 22 14.580 10.733 0.770 1.00 21.52 H new ATOM 343 N ALA A 23 15.175 8.181 -0.029 1.00 42.13 N ATOM 344 CA ALA A 23 15.494 7.114 -0.974 1.00 43.41 C ATOM 345 C ALA A 23 14.469 5.989 -0.898 1.00 52.05 C ATOM 346 O ALA A 23 13.974 5.521 -1.923 1.00 21.41 O ATOM 347 CB ALA A 23 16.896 6.579 -0.717 1.00 22.14 C ATOM 0 H ALA A 23 15.901 8.358 0.665 1.00 42.13 H new ATOM 0 HA ALA A 23 15.459 7.531 -1.980 1.00 43.41 H new ATOM 0 HB1 ALA A 23 17.119 5.785 -1.429 1.00 22.14 H new ATOM 0 HB2 ALA A 23 17.620 7.385 -0.834 1.00 22.14 H new ATOM 0 HB3 ALA A 23 16.954 6.184 0.297 1.00 22.14 H new ATOM 353 N LEU A 24 14.153 5.569 0.323 1.00 60.13 N ATOM 354 CA LEU A 24 13.147 4.539 0.558 1.00 44.30 C ATOM 355 C LEU A 24 11.808 4.946 -0.067 1.00 35.22 C ATOM 356 O LEU A 24 11.124 4.129 -0.682 1.00 15.43 O ATOM 357 CB LEU A 24 13.000 4.309 2.074 1.00 0.15 C ATOM 358 CG LEU A 24 12.223 3.055 2.514 1.00 60.22 C ATOM 359 CD1 LEU A 24 10.719 3.266 2.411 1.00 72.24 C ATOM 360 CD2 LEU A 24 12.651 1.843 1.697 1.00 53.32 C ATOM 0 H LEU A 24 14.585 5.931 1.173 1.00 60.13 H new ATOM 0 HA LEU A 24 13.463 3.608 0.088 1.00 44.30 H new ATOM 0 HB2 LEU A 24 13.998 4.260 2.508 1.00 0.15 H new ATOM 0 HB3 LEU A 24 12.508 5.182 2.504 1.00 0.15 H new ATOM 0 HG LEU A 24 12.461 2.870 3.561 1.00 60.22 H new ATOM 0 HD11 LEU A 24 10.202 2.361 2.729 1.00 72.24 H new ATOM 0 HD12 LEU A 24 10.423 4.097 3.051 1.00 72.24 H new ATOM 0 HD13 LEU A 24 10.453 3.492 1.378 1.00 72.24 H new ATOM 0 HD21 LEU A 24 12.090 0.967 2.024 1.00 53.32 H new ATOM 0 HD22 LEU A 24 12.453 2.028 0.641 1.00 53.32 H new ATOM 0 HD23 LEU A 24 13.717 1.665 1.841 1.00 53.32 H new ATOM 372 N LYS A 25 11.459 6.218 0.074 1.00 12.42 N ATOM 373 CA LYS A 25 10.196 6.731 -0.438 1.00 33.44 C ATOM 374 C LYS A 25 10.161 6.687 -1.963 1.00 2.32 C ATOM 375 O LYS A 25 9.205 6.185 -2.553 1.00 44.14 O ATOM 376 CB LYS A 25 9.979 8.161 0.057 1.00 24.51 C ATOM 377 CG LYS A 25 9.972 8.271 1.574 1.00 62.32 C ATOM 378 CD LYS A 25 9.936 9.717 2.040 1.00 53.42 C ATOM 379 CE LYS A 25 8.683 10.436 1.567 1.00 2.14 C ATOM 380 NZ LYS A 25 8.620 11.825 2.084 1.00 45.33 N ATOM 0 H LYS A 25 12.037 6.917 0.541 1.00 12.42 H new ATOM 0 HA LYS A 25 9.391 6.096 -0.067 1.00 33.44 H new ATOM 0 HB2 LYS A 25 10.764 8.801 -0.344 1.00 24.51 H new ATOM 0 HB3 LYS A 25 9.032 8.535 -0.333 1.00 24.51 H new ATOM 0 HG2 LYS A 25 9.107 7.740 1.972 1.00 62.32 H new ATOM 0 HG3 LYS A 25 10.859 7.782 1.977 1.00 62.32 H new ATOM 0 HD2 LYS A 25 9.983 9.748 3.129 1.00 53.42 H new ATOM 0 HD3 LYS A 25 10.817 10.240 1.668 1.00 53.42 H new ATOM 0 HE2 LYS A 25 8.662 10.452 0.477 1.00 2.14 H new ATOM 0 HE3 LYS A 25 7.801 9.885 1.895 1.00 2.14 H new ATOM 0 HZ1 LYS A 25 7.752 12.284 1.741 1.00 45.33 H new ATOM 0 HZ2 LYS A 25 8.615 11.808 3.124 1.00 45.33 H new ATOM 0 HZ3 LYS A 25 9.449 12.358 1.750 1.00 45.33 H new ATOM 394 N ARG A 26 11.213 7.198 -2.596 1.00 54.21 N ATOM 395 CA ARG A 26 11.296 7.204 -4.054 1.00 65.34 C ATOM 396 C ARG A 26 11.318 5.769 -4.578 1.00 4.14 C ATOM 397 O ARG A 26 10.798 5.485 -5.651 1.00 32.12 O ATOM 398 CB ARG A 26 12.544 7.972 -4.519 1.00 3.04 C ATOM 399 CG ARG A 26 12.440 8.538 -5.937 1.00 30.41 C ATOM 400 CD ARG A 26 12.605 7.466 -7.006 1.00 65.23 C ATOM 401 NE ARG A 26 12.164 7.926 -8.321 1.00 0.44 N ATOM 402 CZ ARG A 26 12.042 7.135 -9.383 1.00 21.11 C ATOM 403 NH1 ARG A 26 12.446 5.874 -9.328 1.00 50.43 N ATOM 404 NH2 ARG A 26 11.549 7.622 -10.511 1.00 24.34 N ATOM 0 H ARG A 26 12.017 7.612 -2.125 1.00 54.21 H new ATOM 0 HA ARG A 26 10.419 7.710 -4.457 1.00 65.34 H new ATOM 0 HB2 ARG A 26 12.732 8.792 -3.826 1.00 3.04 H new ATOM 0 HB3 ARG A 26 13.406 7.307 -4.468 1.00 3.04 H new ATOM 0 HG2 ARG A 26 11.472 9.024 -6.061 1.00 30.41 H new ATOM 0 HG3 ARG A 26 13.202 9.305 -6.075 1.00 30.41 H new ATOM 0 HD2 ARG A 26 13.652 7.167 -7.060 1.00 65.23 H new ATOM 0 HD3 ARG A 26 12.035 6.581 -6.722 1.00 65.23 H new ATOM 0 HE ARG A 26 11.936 8.914 -8.431 1.00 0.44 H new ATOM 0 HH11 ARG A 26 12.853 5.506 -8.468 1.00 50.43 H new ATOM 0 HH12 ARG A 26 12.350 5.272 -10.146 1.00 50.43 H new ATOM 0 HH21 ARG A 26 11.265 8.600 -10.563 1.00 24.34 H new ATOM 0 HH22 ARG A 26 11.454 7.019 -11.328 1.00 24.34 H new ATOM 418 N ARG A 27 11.909 4.873 -3.798 1.00 3.40 N ATOM 419 CA ARG A 27 11.954 3.453 -4.137 1.00 41.32 C ATOM 420 C ARG A 27 10.539 2.897 -4.299 1.00 63.52 C ATOM 421 O ARG A 27 10.259 2.128 -5.220 1.00 63.24 O ATOM 422 CB ARG A 27 12.705 2.698 -3.041 1.00 75.44 C ATOM 423 CG ARG A 27 12.885 1.212 -3.295 1.00 2.44 C ATOM 424 CD ARG A 27 13.692 0.585 -2.172 1.00 51.41 C ATOM 425 NE ARG A 27 13.955 -0.836 -2.382 1.00 31.44 N ATOM 426 CZ ARG A 27 14.962 -1.494 -1.805 1.00 20.31 C ATOM 427 NH1 ARG A 27 15.834 -0.845 -1.037 1.00 72.40 N ATOM 428 NH2 ARG A 27 15.104 -2.795 -2.011 1.00 45.23 N ATOM 0 H ARG A 27 12.368 5.106 -2.918 1.00 3.40 H new ATOM 0 HA ARG A 27 12.476 3.324 -5.085 1.00 41.32 H new ATOM 0 HB2 ARG A 27 13.688 3.152 -2.916 1.00 75.44 H new ATOM 0 HB3 ARG A 27 12.172 2.829 -2.099 1.00 75.44 H new ATOM 0 HG2 ARG A 27 11.912 0.727 -3.368 1.00 2.44 H new ATOM 0 HG3 ARG A 27 13.391 1.057 -4.248 1.00 2.44 H new ATOM 0 HD2 ARG A 27 14.640 1.114 -2.075 1.00 51.41 H new ATOM 0 HD3 ARG A 27 13.157 0.715 -1.231 1.00 51.41 H new ATOM 0 HE ARG A 27 13.335 -1.354 -3.004 1.00 31.44 H new ATOM 0 HH11 ARG A 27 15.734 0.159 -0.888 1.00 72.40 H new ATOM 0 HH12 ARG A 27 16.603 -1.352 -0.598 1.00 72.40 H new ATOM 0 HH21 ARG A 27 14.444 -3.292 -2.610 1.00 45.23 H new ATOM 0 HH22 ARG A 27 15.873 -3.300 -1.571 1.00 45.23 H new ATOM 442 N ILE A 28 9.651 3.298 -3.397 1.00 51.22 N ATOM 443 CA ILE A 28 8.248 2.914 -3.470 1.00 45.25 C ATOM 444 C ILE A 28 7.556 3.625 -4.637 1.00 61.14 C ATOM 445 O ILE A 28 6.777 3.018 -5.377 1.00 74.01 O ATOM 446 CB ILE A 28 7.513 3.248 -2.151 1.00 11.00 C ATOM 447 CG1 ILE A 28 8.233 2.601 -0.963 1.00 43.34 C ATOM 448 CG2 ILE A 28 6.066 2.784 -2.211 1.00 12.23 C ATOM 449 CD1 ILE A 28 7.637 2.959 0.384 1.00 22.12 C ATOM 0 H ILE A 28 9.881 3.893 -2.601 1.00 51.22 H new ATOM 0 HA ILE A 28 8.207 1.837 -3.631 1.00 45.25 H new ATOM 0 HB ILE A 28 7.520 4.330 -2.017 1.00 11.00 H new ATOM 0 HG12 ILE A 28 8.211 1.518 -1.083 1.00 43.34 H new ATOM 0 HG13 ILE A 28 9.281 2.902 -0.978 1.00 43.34 H new ATOM 0 HG21 ILE A 28 5.566 3.028 -1.274 1.00 12.23 H new ATOM 0 HG22 ILE A 28 5.557 3.285 -3.035 1.00 12.23 H new ATOM 0 HG23 ILE A 28 6.036 1.706 -2.368 1.00 12.23 H new ATOM 0 HD11 ILE A 28 8.200 2.463 1.175 1.00 22.12 H new ATOM 0 HD12 ILE A 28 7.684 4.039 0.527 1.00 22.12 H new ATOM 0 HD13 ILE A 28 6.598 2.633 0.420 1.00 22.12 H new ATOM 461 N MET A 29 7.873 4.904 -4.807 1.00 50.24 N ATOM 462 CA MET A 29 7.293 5.716 -5.879 1.00 24.31 C ATOM 463 C MET A 29 7.690 5.180 -7.250 1.00 63.34 C ATOM 464 O MET A 29 6.930 5.288 -8.210 1.00 31.44 O ATOM 465 CB MET A 29 7.743 7.174 -5.750 1.00 61.53 C ATOM 466 CG MET A 29 7.306 7.840 -4.457 1.00 14.13 C ATOM 467 SD MET A 29 7.995 9.499 -4.258 1.00 41.21 S ATOM 468 CE MET A 29 7.283 10.333 -5.675 1.00 34.13 C ATOM 0 H MET A 29 8.533 5.407 -4.213 1.00 50.24 H new ATOM 0 HA MET A 29 6.208 5.663 -5.784 1.00 24.31 H new ATOM 0 HB2 MET A 29 8.830 7.216 -5.820 1.00 61.53 H new ATOM 0 HB3 MET A 29 7.347 7.742 -6.592 1.00 61.53 H new ATOM 0 HG2 MET A 29 6.218 7.898 -4.433 1.00 14.13 H new ATOM 0 HG3 MET A 29 7.611 7.221 -3.613 1.00 14.13 H new ATOM 0 HE1 MET A 29 7.357 11.412 -5.537 1.00 34.13 H new ATOM 0 HE2 MET A 29 7.823 10.044 -6.577 1.00 34.13 H new ATOM 0 HE3 MET A 29 6.235 10.051 -5.774 1.00 34.13 H new ATOM 478 N ASP A 30 8.883 4.599 -7.321 1.00 64.43 N ATOM 479 CA ASP A 30 9.412 4.023 -8.557 1.00 73.32 C ATOM 480 C ASP A 30 8.491 2.942 -9.102 1.00 42.44 C ATOM 481 O ASP A 30 8.364 2.765 -10.310 1.00 64.41 O ATOM 482 CB ASP A 30 10.798 3.430 -8.299 1.00 75.32 C ATOM 483 CG ASP A 30 11.382 2.734 -9.512 1.00 43.11 C ATOM 484 OD1 ASP A 30 11.228 1.500 -9.622 1.00 35.13 O ATOM 485 OD2 ASP A 30 12.013 3.413 -10.351 1.00 50.24 O ATOM 0 H ASP A 30 9.513 4.513 -6.523 1.00 64.43 H new ATOM 0 HA ASP A 30 9.481 4.819 -9.298 1.00 73.32 H new ATOM 0 HB2 ASP A 30 11.474 4.225 -7.983 1.00 75.32 H new ATOM 0 HB3 ASP A 30 10.735 2.719 -7.475 1.00 75.32 H new ATOM 491 N MET A 31 7.833 2.238 -8.197 1.00 72.30 N ATOM 492 CA MET A 31 6.956 1.138 -8.566 1.00 42.11 C ATOM 493 C MET A 31 5.563 1.645 -8.929 1.00 65.13 C ATOM 494 O MET A 31 4.679 0.866 -9.277 1.00 1.01 O ATOM 495 CB MET A 31 6.874 0.137 -7.415 1.00 2.13 C ATOM 496 CG MET A 31 8.189 -0.577 -7.139 1.00 13.23 C ATOM 497 SD MET A 31 8.114 -1.635 -5.681 1.00 31.54 S ATOM 498 CE MET A 31 7.785 -0.414 -4.414 1.00 50.02 C ATOM 0 H MET A 31 7.890 2.410 -7.193 1.00 72.30 H new ATOM 0 HA MET A 31 7.371 0.643 -9.444 1.00 42.11 H new ATOM 0 HB2 MET A 31 6.556 0.658 -6.512 1.00 2.13 H new ATOM 0 HB3 MET A 31 6.108 -0.604 -7.642 1.00 2.13 H new ATOM 0 HG2 MET A 31 8.460 -1.179 -8.006 1.00 13.23 H new ATOM 0 HG3 MET A 31 8.978 0.163 -7.006 1.00 13.23 H new ATOM 0 HE1 MET A 31 8.486 -0.547 -3.590 1.00 50.02 H new ATOM 0 HE2 MET A 31 7.902 0.586 -4.833 1.00 50.02 H new ATOM 0 HE3 MET A 31 6.766 -0.536 -4.047 1.00 50.02 H new ATOM 508 N GLY A 32 5.377 2.958 -8.853 1.00 21.41 N ATOM 509 CA GLY A 32 4.103 3.550 -9.198 1.00 1.40 C ATOM 510 C GLY A 32 3.288 3.924 -7.980 1.00 4.45 C ATOM 511 O GLY A 32 2.204 4.501 -8.099 1.00 42.31 O ATOM 0 H GLY A 32 6.091 3.624 -8.557 1.00 21.41 H new ATOM 0 HA2 GLY A 32 4.272 4.439 -9.805 1.00 1.40 H new ATOM 0 HA3 GLY A 32 3.535 2.850 -9.810 1.00 1.40 H new ATOM 515 N ILE A 33 3.811 3.602 -6.809 1.00 22.14 N ATOM 516 CA ILE A 33 3.111 3.864 -5.563 1.00 53.24 C ATOM 517 C ILE A 33 3.440 5.262 -5.050 1.00 25.25 C ATOM 518 O ILE A 33 4.543 5.516 -4.572 1.00 43.33 O ATOM 519 CB ILE A 33 3.478 2.823 -4.486 1.00 40.42 C ATOM 520 CG1 ILE A 33 3.327 1.406 -5.048 1.00 40.45 C ATOM 521 CG2 ILE A 33 2.608 3.006 -3.250 1.00 42.41 C ATOM 522 CD1 ILE A 33 3.788 0.322 -4.100 1.00 45.30 C ATOM 0 H ILE A 33 4.722 3.157 -6.695 1.00 22.14 H new ATOM 0 HA ILE A 33 2.042 3.794 -5.765 1.00 53.24 H new ATOM 0 HB ILE A 33 4.518 2.972 -4.196 1.00 40.42 H new ATOM 0 HG12 ILE A 33 2.280 1.235 -5.300 1.00 40.45 H new ATOM 0 HG13 ILE A 33 3.895 1.330 -5.975 1.00 40.45 H new ATOM 0 HG21 ILE A 33 2.880 2.263 -2.500 1.00 42.41 H new ATOM 0 HG22 ILE A 33 2.760 4.006 -2.843 1.00 42.41 H new ATOM 0 HG23 ILE A 33 1.560 2.880 -3.521 1.00 42.41 H new ATOM 0 HD11 ILE A 33 3.650 -0.653 -4.568 1.00 45.30 H new ATOM 0 HD12 ILE A 33 4.843 0.467 -3.867 1.00 45.30 H new ATOM 0 HD13 ILE A 33 3.204 0.370 -3.181 1.00 45.30 H new ATOM 534 N THR A 34 2.485 6.165 -5.164 1.00 74.13 N ATOM 535 CA THR A 34 2.675 7.537 -4.734 1.00 63.33 C ATOM 536 C THR A 34 1.352 8.102 -4.223 1.00 32.01 C ATOM 537 O THR A 34 0.333 7.407 -4.244 1.00 34.13 O ATOM 538 CB THR A 34 3.233 8.406 -5.890 1.00 42.03 C ATOM 539 OG1 THR A 34 3.475 9.747 -5.445 1.00 23.24 O ATOM 540 CG2 THR A 34 2.276 8.422 -7.075 1.00 43.25 C ATOM 0 H THR A 34 1.563 5.971 -5.554 1.00 74.13 H new ATOM 0 HA THR A 34 3.405 7.555 -3.924 1.00 63.33 H new ATOM 0 HB THR A 34 4.176 7.963 -6.210 1.00 42.03 H new ATOM 0 HG1 THR A 34 3.828 10.279 -6.188 1.00 23.24 H new ATOM 0 HG21 THR A 34 2.693 9.039 -7.871 1.00 43.25 H new ATOM 0 HG22 THR A 34 2.133 7.405 -7.441 1.00 43.25 H new ATOM 0 HG23 THR A 34 1.316 8.833 -6.762 1.00 43.25 H new ATOM 548 N ARG A 35 1.367 9.350 -3.768 1.00 13.42 N ATOM 549 CA ARG A 35 0.175 9.977 -3.208 1.00 13.04 C ATOM 550 C ARG A 35 -0.929 10.047 -4.252 1.00 60.34 C ATOM 551 O ARG A 35 -0.706 10.488 -5.380 1.00 44.22 O ATOM 552 CB ARG A 35 0.469 11.387 -2.683 1.00 61.12 C ATOM 553 CG ARG A 35 1.362 11.437 -1.450 1.00 54.31 C ATOM 554 CD ARG A 35 2.822 11.183 -1.790 1.00 3.32 C ATOM 555 NE ARG A 35 3.307 12.095 -2.827 1.00 1.24 N ATOM 556 CZ ARG A 35 4.232 13.030 -2.631 1.00 21.12 C ATOM 557 NH1 ARG A 35 4.730 13.238 -1.418 1.00 73.55 N ATOM 558 NH2 ARG A 35 4.646 13.775 -3.650 1.00 21.24 N ATOM 0 H ARG A 35 2.193 9.948 -3.776 1.00 13.42 H new ATOM 0 HA ARG A 35 -0.151 9.360 -2.370 1.00 13.04 H new ATOM 0 HB2 ARG A 35 0.940 11.965 -3.479 1.00 61.12 H new ATOM 0 HB3 ARG A 35 -0.476 11.877 -2.450 1.00 61.12 H new ATOM 0 HG2 ARG A 35 1.266 12.412 -0.973 1.00 54.31 H new ATOM 0 HG3 ARG A 35 1.024 10.694 -0.728 1.00 54.31 H new ATOM 0 HD2 ARG A 35 3.429 11.298 -0.892 1.00 3.32 H new ATOM 0 HD3 ARG A 35 2.943 10.153 -2.127 1.00 3.32 H new ATOM 0 HE ARG A 35 2.909 12.008 -3.762 1.00 1.24 H new ATOM 0 HH11 ARG A 35 4.403 12.679 -0.630 1.00 73.55 H new ATOM 0 HH12 ARG A 35 5.439 13.957 -1.274 1.00 73.55 H new ATOM 0 HH21 ARG A 35 4.254 13.629 -4.580 1.00 21.24 H new ATOM 0 HH22 ARG A 35 5.355 14.493 -3.502 1.00 21.24 H new ATOM 572 N GLY A 36 -2.113 9.598 -3.872 1.00 70.13 N ATOM 573 CA GLY A 36 -3.245 9.626 -4.774 1.00 54.43 C ATOM 574 C GLY A 36 -3.428 8.318 -5.515 1.00 4.33 C ATOM 575 O GLY A 36 -4.398 8.146 -6.256 1.00 55.01 O ATOM 0 H GLY A 36 -2.312 9.212 -2.949 1.00 70.13 H new ATOM 0 HA2 GLY A 36 -4.150 9.850 -4.209 1.00 54.43 H new ATOM 0 HA3 GLY A 36 -3.111 10.433 -5.495 1.00 54.43 H new ATOM 579 N CYS A 37 -2.499 7.393 -5.324 1.00 74.23 N ATOM 580 CA CYS A 37 -2.593 6.091 -5.963 1.00 60.34 C ATOM 581 C CYS A 37 -3.495 5.171 -5.157 1.00 72.40 C ATOM 582 O CYS A 37 -3.465 5.172 -3.924 1.00 34.11 O ATOM 583 CB CYS A 37 -1.212 5.452 -6.115 1.00 42.14 C ATOM 584 SG CYS A 37 -1.218 3.863 -6.982 1.00 34.40 S ATOM 0 H CYS A 37 -1.676 7.520 -4.735 1.00 74.23 H new ATOM 0 HA CYS A 37 -3.020 6.236 -6.955 1.00 60.34 H new ATOM 0 HB2 CYS A 37 -0.562 6.143 -6.652 1.00 42.14 H new ATOM 0 HB3 CYS A 37 -0.779 5.311 -5.125 1.00 42.14 H new ATOM 0 HG CYS A 37 -0.073 3.686 -7.572 1.00 34.40 H new ATOM 590 N GLU A 38 -4.298 4.399 -5.866 1.00 4.03 N ATOM 591 CA GLU A 38 -5.178 3.425 -5.244 1.00 32.22 C ATOM 592 C GLU A 38 -4.477 2.077 -5.174 1.00 71.54 C ATOM 593 O GLU A 38 -3.982 1.570 -6.185 1.00 5.40 O ATOM 594 CB GLU A 38 -6.483 3.308 -6.029 1.00 62.10 C ATOM 595 CG GLU A 38 -7.244 4.618 -6.121 1.00 15.04 C ATOM 596 CD GLU A 38 -8.471 4.521 -7.001 1.00 31.31 C ATOM 597 OE1 GLU A 38 -8.310 4.461 -8.239 1.00 30.20 O ATOM 598 OE2 GLU A 38 -9.596 4.523 -6.465 1.00 74.44 O ATOM 0 H GLU A 38 -4.359 4.428 -6.884 1.00 4.03 H new ATOM 0 HA GLU A 38 -5.418 3.755 -4.233 1.00 32.22 H new ATOM 0 HB2 GLU A 38 -6.264 2.951 -7.035 1.00 62.10 H new ATOM 0 HB3 GLU A 38 -7.118 2.559 -5.556 1.00 62.10 H new ATOM 0 HG2 GLU A 38 -7.543 4.930 -5.121 1.00 15.04 H new ATOM 0 HG3 GLU A 38 -6.582 5.391 -6.512 1.00 15.04 H new ATOM 606 N ILE A 39 -4.425 1.514 -3.983 1.00 10.32 N ATOM 607 CA ILE A 39 -3.712 0.275 -3.754 1.00 43.44 C ATOM 608 C ILE A 39 -4.688 -0.841 -3.430 1.00 31.53 C ATOM 609 O ILE A 39 -5.416 -0.775 -2.437 1.00 33.24 O ATOM 610 CB ILE A 39 -2.705 0.402 -2.591 1.00 31.40 C ATOM 611 CG1 ILE A 39 -1.798 1.623 -2.781 1.00 0.11 C ATOM 612 CG2 ILE A 39 -1.872 -0.867 -2.468 1.00 44.44 C ATOM 613 CD1 ILE A 39 -0.949 1.573 -4.034 1.00 4.32 C ATOM 0 H ILE A 39 -4.873 1.900 -3.152 1.00 10.32 H new ATOM 0 HA ILE A 39 -3.165 0.046 -4.669 1.00 43.44 H new ATOM 0 HB ILE A 39 -3.268 0.540 -1.668 1.00 31.40 H new ATOM 0 HG12 ILE A 39 -2.416 2.520 -2.809 1.00 0.11 H new ATOM 0 HG13 ILE A 39 -1.143 1.714 -1.915 1.00 0.11 H new ATOM 0 HG21 ILE A 39 -1.167 -0.761 -1.643 1.00 44.44 H new ATOM 0 HG22 ILE A 39 -2.528 -1.716 -2.277 1.00 44.44 H new ATOM 0 HG23 ILE A 39 -1.324 -1.033 -3.395 1.00 44.44 H new ATOM 0 HD11 ILE A 39 -0.337 2.473 -4.095 1.00 4.32 H new ATOM 0 HD12 ILE A 39 -0.303 0.696 -4.001 1.00 4.32 H new ATOM 0 HD13 ILE A 39 -1.596 1.515 -4.910 1.00 4.32 H new ATOM 625 N TYR A 40 -4.717 -1.845 -4.280 1.00 12.24 N ATOM 626 CA TYR A 40 -5.515 -3.029 -4.026 1.00 30.40 C ATOM 627 C TYR A 40 -4.654 -4.105 -3.376 1.00 4.23 C ATOM 628 O TYR A 40 -3.805 -4.715 -4.030 1.00 55.41 O ATOM 629 CB TYR A 40 -6.135 -3.551 -5.327 1.00 5.13 C ATOM 630 CG TYR A 40 -6.956 -4.808 -5.150 1.00 12.42 C ATOM 631 CD1 TYR A 40 -8.188 -4.769 -4.511 1.00 1.43 C ATOM 632 CD2 TYR A 40 -6.500 -6.034 -5.624 1.00 61.00 C ATOM 633 CE1 TYR A 40 -8.942 -5.916 -4.346 1.00 52.54 C ATOM 634 CE2 TYR A 40 -7.248 -7.183 -5.465 1.00 15.42 C ATOM 635 CZ TYR A 40 -8.469 -7.119 -4.827 1.00 33.40 C ATOM 636 OH TYR A 40 -9.221 -8.262 -4.670 1.00 65.50 O ATOM 0 H TYR A 40 -4.196 -1.866 -5.156 1.00 12.24 H new ATOM 0 HA TYR A 40 -6.325 -2.767 -3.345 1.00 30.40 H new ATOM 0 HB2 TYR A 40 -6.767 -2.773 -5.755 1.00 5.13 H new ATOM 0 HB3 TYR A 40 -5.339 -3.746 -6.045 1.00 5.13 H new ATOM 0 HD1 TYR A 40 -8.563 -3.828 -4.137 1.00 1.43 H new ATOM 0 HD2 TYR A 40 -5.545 -6.088 -6.125 1.00 61.00 H new ATOM 0 HE1 TYR A 40 -9.897 -5.870 -3.843 1.00 52.54 H new ATOM 0 HE2 TYR A 40 -6.879 -8.127 -5.838 1.00 15.42 H new ATOM 0 HH TYR A 40 -8.746 -9.023 -5.065 1.00 65.50 H new ATOM 646 N ILE A 41 -4.850 -4.313 -2.083 1.00 42.42 N ATOM 647 CA ILE A 41 -4.117 -5.341 -1.362 1.00 14.22 C ATOM 648 C ILE A 41 -4.701 -6.699 -1.715 1.00 21.41 C ATOM 649 O ILE A 41 -5.815 -7.034 -1.305 1.00 74.02 O ATOM 650 CB ILE A 41 -4.156 -5.145 0.176 1.00 31.12 C ATOM 651 CG1 ILE A 41 -3.710 -3.733 0.582 1.00 73.12 C ATOM 652 CG2 ILE A 41 -3.277 -6.180 0.861 1.00 33.32 C ATOM 653 CD1 ILE A 41 -4.795 -2.684 0.459 1.00 53.01 C ATOM 0 H ILE A 41 -5.510 -3.784 -1.512 1.00 42.42 H new ATOM 0 HA ILE A 41 -3.072 -5.272 -1.663 1.00 14.22 H new ATOM 0 HB ILE A 41 -5.190 -5.275 0.496 1.00 31.12 H new ATOM 0 HG12 ILE A 41 -3.358 -3.757 1.613 1.00 73.12 H new ATOM 0 HG13 ILE A 41 -2.863 -3.439 -0.037 1.00 73.12 H new ATOM 0 HG21 ILE A 41 -3.313 -6.031 1.940 1.00 33.32 H new ATOM 0 HG22 ILE A 41 -3.637 -7.180 0.620 1.00 33.32 H new ATOM 0 HG23 ILE A 41 -2.249 -6.071 0.514 1.00 33.32 H new ATOM 0 HD11 ILE A 41 -4.400 -1.715 0.764 1.00 53.01 H new ATOM 0 HD12 ILE A 41 -5.132 -2.629 -0.576 1.00 53.01 H new ATOM 0 HD13 ILE A 41 -5.635 -2.952 1.100 1.00 53.01 H new ATOM 665 N ARG A 42 -3.963 -7.471 -2.494 1.00 12.34 N ATOM 666 CA ARG A 42 -4.482 -8.720 -3.018 1.00 62.43 C ATOM 667 C ARG A 42 -4.260 -9.852 -2.025 1.00 73.44 C ATOM 668 O ARG A 42 -5.144 -10.684 -1.820 1.00 14.11 O ATOM 669 CB ARG A 42 -3.841 -9.038 -4.375 1.00 51.22 C ATOM 670 CG ARG A 42 -4.663 -9.994 -5.227 1.00 22.30 C ATOM 671 CD ARG A 42 -4.288 -11.447 -4.981 1.00 34.40 C ATOM 672 NE ARG A 42 -3.076 -11.819 -5.704 1.00 20.22 N ATOM 673 CZ ARG A 42 -2.629 -13.068 -5.826 1.00 23.40 C ATOM 674 NH1 ARG A 42 -3.253 -14.066 -5.212 1.00 52.44 N ATOM 675 NH2 ARG A 42 -1.558 -13.316 -6.567 1.00 21.12 N ATOM 0 H ARG A 42 -3.007 -7.255 -2.776 1.00 12.34 H new ATOM 0 HA ARG A 42 -5.556 -8.615 -3.169 1.00 62.43 H new ATOM 0 HB2 ARG A 42 -3.694 -8.108 -4.925 1.00 51.22 H new ATOM 0 HB3 ARG A 42 -2.854 -9.469 -4.209 1.00 51.22 H new ATOM 0 HG2 ARG A 42 -5.722 -9.852 -5.011 1.00 22.30 H new ATOM 0 HG3 ARG A 42 -4.518 -9.756 -6.281 1.00 22.30 H new ATOM 0 HD2 ARG A 42 -4.140 -11.609 -3.913 1.00 34.40 H new ATOM 0 HD3 ARG A 42 -5.110 -12.093 -5.291 1.00 34.40 H new ATOM 0 HE ARG A 42 -2.536 -11.074 -6.145 1.00 20.22 H new ATOM 0 HH11 ARG A 42 -4.079 -13.878 -4.644 1.00 52.44 H new ATOM 0 HH12 ARG A 42 -2.907 -15.020 -5.309 1.00 52.44 H new ATOM 0 HH21 ARG A 42 -1.078 -12.551 -7.042 1.00 21.12 H new ATOM 0 HH22 ARG A 42 -1.214 -14.271 -6.662 1.00 21.12 H new ATOM 689 N LYS A 43 -3.094 -9.874 -1.393 1.00 34.03 N ATOM 690 CA LYS A 43 -2.779 -10.924 -0.437 1.00 62.42 C ATOM 691 C LYS A 43 -1.704 -10.456 0.542 1.00 32.00 C ATOM 692 O LYS A 43 -0.747 -9.797 0.154 1.00 25.11 O ATOM 693 CB LYS A 43 -2.300 -12.181 -1.180 1.00 1.11 C ATOM 694 CG LYS A 43 -2.822 -13.490 -0.601 1.00 64.50 C ATOM 695 CD LYS A 43 -2.447 -13.652 0.859 1.00 14.12 C ATOM 696 CE LYS A 43 -3.017 -14.924 1.458 1.00 65.21 C ATOM 697 NZ LYS A 43 -2.800 -14.981 2.926 1.00 73.33 N ATOM 0 H LYS A 43 -2.356 -9.182 -1.524 1.00 34.03 H new ATOM 0 HA LYS A 43 -3.681 -11.161 0.127 1.00 62.42 H new ATOM 0 HB2 LYS A 43 -2.607 -12.111 -2.223 1.00 1.11 H new ATOM 0 HB3 LYS A 43 -1.210 -12.202 -1.169 1.00 1.11 H new ATOM 0 HG2 LYS A 43 -3.907 -13.525 -0.703 1.00 64.50 H new ATOM 0 HG3 LYS A 43 -2.421 -14.326 -1.174 1.00 64.50 H new ATOM 0 HD2 LYS A 43 -1.361 -13.662 0.955 1.00 14.12 H new ATOM 0 HD3 LYS A 43 -2.809 -12.792 1.423 1.00 14.12 H new ATOM 0 HE2 LYS A 43 -4.084 -14.981 1.245 1.00 65.21 H new ATOM 0 HE3 LYS A 43 -2.551 -15.789 0.987 1.00 65.21 H new ATOM 0 HZ1 LYS A 43 -2.321 -15.871 3.172 1.00 73.33 H new ATOM 0 HZ2 LYS A 43 -2.210 -14.177 3.221 1.00 73.33 H new ATOM 0 HZ3 LYS A 43 -3.717 -14.935 3.415 1.00 73.33 H new ATOM 711 N VAL A 44 -1.885 -10.780 1.812 1.00 52.40 N ATOM 712 CA VAL A 44 -0.871 -10.530 2.826 1.00 64.11 C ATOM 713 C VAL A 44 -0.356 -11.864 3.354 1.00 62.03 C ATOM 714 O VAL A 44 -1.149 -12.746 3.690 1.00 14.34 O ATOM 715 CB VAL A 44 -1.425 -9.698 4.007 1.00 73.41 C ATOM 716 CG1 VAL A 44 -0.325 -9.381 5.008 1.00 65.34 C ATOM 717 CG2 VAL A 44 -2.078 -8.420 3.510 1.00 71.23 C ATOM 0 H VAL A 44 -2.733 -11.221 2.168 1.00 52.40 H new ATOM 0 HA VAL A 44 -0.067 -9.959 2.362 1.00 64.11 H new ATOM 0 HB VAL A 44 -2.185 -10.295 4.511 1.00 73.41 H new ATOM 0 HG11 VAL A 44 -0.738 -8.795 5.829 1.00 65.34 H new ATOM 0 HG12 VAL A 44 0.091 -10.310 5.398 1.00 65.34 H new ATOM 0 HG13 VAL A 44 0.462 -8.810 4.515 1.00 65.34 H new ATOM 0 HG21 VAL A 44 -2.460 -7.853 4.359 1.00 71.23 H new ATOM 0 HG22 VAL A 44 -1.343 -7.820 2.974 1.00 71.23 H new ATOM 0 HG23 VAL A 44 -2.901 -8.669 2.840 1.00 71.23 H new ATOM 727 N ALA A 45 0.958 -12.033 3.400 1.00 52.42 N ATOM 728 CA ALA A 45 1.531 -13.266 3.915 1.00 54.52 C ATOM 729 C ALA A 45 1.236 -13.406 5.403 1.00 10.32 C ATOM 730 O ALA A 45 1.246 -12.418 6.140 1.00 20.22 O ATOM 731 CB ALA A 45 3.029 -13.305 3.661 1.00 71.33 C ATOM 0 H ALA A 45 1.640 -11.340 3.091 1.00 52.42 H new ATOM 0 HA ALA A 45 1.074 -14.106 3.392 1.00 54.52 H new ATOM 0 HB1 ALA A 45 3.440 -14.235 4.053 1.00 71.33 H new ATOM 0 HB2 ALA A 45 3.218 -13.248 2.589 1.00 71.33 H new ATOM 0 HB3 ALA A 45 3.505 -12.460 4.158 1.00 71.33 H new ATOM 737 N PRO A 46 0.981 -14.641 5.869 1.00 32.42 N ATOM 738 CA PRO A 46 0.636 -14.911 7.271 1.00 61.12 C ATOM 739 C PRO A 46 1.713 -14.438 8.236 1.00 74.24 C ATOM 740 O PRO A 46 1.428 -14.067 9.375 1.00 62.35 O ATOM 741 CB PRO A 46 0.522 -16.435 7.330 1.00 2.54 C ATOM 742 CG PRO A 46 0.262 -16.856 5.925 1.00 41.02 C ATOM 743 CD PRO A 46 0.994 -15.873 5.059 1.00 13.32 C ATOM 0 HA PRO A 46 -0.273 -14.386 7.566 1.00 61.12 H new ATOM 0 HB2 PRO A 46 1.438 -16.885 7.714 1.00 2.54 H new ATOM 0 HB3 PRO A 46 -0.287 -16.745 7.991 1.00 2.54 H new ATOM 0 HG2 PRO A 46 0.617 -17.871 5.749 1.00 41.02 H new ATOM 0 HG3 PRO A 46 -0.806 -16.850 5.707 1.00 41.02 H new ATOM 0 HD2 PRO A 46 2.010 -16.204 4.844 1.00 13.32 H new ATOM 0 HD3 PRO A 46 0.495 -15.731 4.100 1.00 13.32 H new ATOM 751 N LEU A 47 2.950 -14.445 7.768 1.00 60.21 N ATOM 752 CA LEU A 47 4.084 -14.091 8.604 1.00 70.12 C ATOM 753 C LEU A 47 4.302 -12.577 8.605 1.00 41.11 C ATOM 754 O LEU A 47 5.158 -12.060 9.323 1.00 54.23 O ATOM 755 CB LEU A 47 5.337 -14.811 8.104 1.00 70.44 C ATOM 756 CG LEU A 47 6.460 -14.949 9.128 1.00 53.44 C ATOM 757 CD1 LEU A 47 6.031 -15.858 10.271 1.00 44.15 C ATOM 758 CD2 LEU A 47 7.718 -15.483 8.466 1.00 14.32 C ATOM 0 H LEU A 47 3.195 -14.693 6.809 1.00 60.21 H new ATOM 0 HA LEU A 47 3.878 -14.403 9.628 1.00 70.12 H new ATOM 0 HB2 LEU A 47 5.053 -15.807 7.764 1.00 70.44 H new ATOM 0 HB3 LEU A 47 5.722 -14.276 7.236 1.00 70.44 H new ATOM 0 HG LEU A 47 6.678 -13.962 9.537 1.00 53.44 H new ATOM 0 HD11 LEU A 47 6.844 -15.945 10.992 1.00 44.15 H new ATOM 0 HD12 LEU A 47 5.154 -15.436 10.762 1.00 44.15 H new ATOM 0 HD13 LEU A 47 5.787 -16.845 9.879 1.00 44.15 H new ATOM 0 HD21 LEU A 47 8.509 -15.576 9.210 1.00 14.32 H new ATOM 0 HD22 LEU A 47 7.513 -16.461 8.031 1.00 14.32 H new ATOM 0 HD23 LEU A 47 8.036 -14.796 7.682 1.00 14.32 H new ATOM 770 N GLY A 48 3.519 -11.871 7.796 1.00 45.34 N ATOM 771 CA GLY A 48 3.620 -10.426 7.733 1.00 24.23 C ATOM 772 C GLY A 48 4.426 -9.953 6.543 1.00 43.21 C ATOM 773 O GLY A 48 4.249 -8.832 6.072 1.00 65.14 O ATOM 0 H GLY A 48 2.814 -12.277 7.181 1.00 45.34 H new ATOM 0 HA2 GLY A 48 2.619 -9.997 7.684 1.00 24.23 H new ATOM 0 HA3 GLY A 48 4.080 -10.057 8.649 1.00 24.23 H new ATOM 777 N ASP A 49 5.307 -10.811 6.056 1.00 55.01 N ATOM 778 CA ASP A 49 6.166 -10.480 4.927 1.00 75.14 C ATOM 779 C ASP A 49 6.186 -11.634 3.933 1.00 5.41 C ATOM 780 O ASP A 49 6.322 -12.794 4.332 1.00 1.25 O ATOM 781 CB ASP A 49 7.590 -10.182 5.420 1.00 3.31 C ATOM 782 CG ASP A 49 8.572 -9.938 4.289 1.00 44.40 C ATOM 783 OD1 ASP A 49 8.809 -8.763 3.937 1.00 32.10 O ATOM 784 OD2 ASP A 49 9.128 -10.921 3.755 1.00 33.50 O ATOM 0 H ASP A 49 5.448 -11.750 6.428 1.00 55.01 H new ATOM 0 HA ASP A 49 5.773 -9.593 4.430 1.00 75.14 H new ATOM 0 HB2 ASP A 49 7.568 -9.307 6.069 1.00 3.31 H new ATOM 0 HB3 ASP A 49 7.941 -11.018 6.024 1.00 3.31 H new ATOM 790 N PRO A 50 6.034 -11.347 2.631 1.00 35.22 N ATOM 791 CA PRO A 50 5.798 -10.003 2.122 1.00 22.24 C ATOM 792 C PRO A 50 4.312 -9.694 1.932 1.00 2.23 C ATOM 793 O PRO A 50 3.443 -10.476 2.325 1.00 11.14 O ATOM 794 CB PRO A 50 6.508 -10.052 0.772 1.00 70.52 C ATOM 795 CG PRO A 50 6.346 -11.465 0.304 1.00 72.41 C ATOM 796 CD PRO A 50 6.115 -12.320 1.532 1.00 63.23 C ATOM 0 HA PRO A 50 6.152 -9.228 2.801 1.00 22.24 H new ATOM 0 HB2 PRO A 50 6.065 -9.349 0.067 1.00 70.52 H new ATOM 0 HB3 PRO A 50 7.561 -9.786 0.869 1.00 70.52 H new ATOM 0 HG2 PRO A 50 5.506 -11.548 -0.386 1.00 72.41 H new ATOM 0 HG3 PRO A 50 7.234 -11.796 -0.234 1.00 72.41 H new ATOM 0 HD2 PRO A 50 5.198 -12.903 1.446 1.00 63.23 H new ATOM 0 HD3 PRO A 50 6.930 -13.028 1.685 1.00 63.23 H new ATOM 804 N ILE A 51 4.029 -8.545 1.333 1.00 63.31 N ATOM 805 CA ILE A 51 2.658 -8.150 1.041 1.00 60.12 C ATOM 806 C ILE A 51 2.453 -8.051 -0.470 1.00 22.05 C ATOM 807 O ILE A 51 3.235 -7.398 -1.166 1.00 44.42 O ATOM 808 CB ILE A 51 2.282 -6.792 1.694 1.00 22.32 C ATOM 809 CG1 ILE A 51 2.462 -6.827 3.218 1.00 22.14 C ATOM 810 CG2 ILE A 51 0.845 -6.418 1.352 1.00 60.24 C ATOM 811 CD1 ILE A 51 3.884 -6.583 3.679 1.00 25.23 C ATOM 0 H ILE A 51 4.733 -7.868 1.039 1.00 63.31 H new ATOM 0 HA ILE A 51 2.009 -8.917 1.463 1.00 60.12 H new ATOM 0 HB ILE A 51 2.958 -6.037 1.291 1.00 22.32 H new ATOM 0 HG12 ILE A 51 1.812 -6.076 3.667 1.00 22.14 H new ATOM 0 HG13 ILE A 51 2.132 -7.797 3.590 1.00 22.14 H new ATOM 0 HG21 ILE A 51 0.597 -5.464 1.817 1.00 60.24 H new ATOM 0 HG22 ILE A 51 0.739 -6.333 0.271 1.00 60.24 H new ATOM 0 HG23 ILE A 51 0.170 -7.189 1.723 1.00 60.24 H new ATOM 0 HD11 ILE A 51 3.926 -6.624 4.767 1.00 25.23 H new ATOM 0 HD12 ILE A 51 4.538 -7.348 3.262 1.00 25.23 H new ATOM 0 HD13 ILE A 51 4.213 -5.601 3.340 1.00 25.23 H new ATOM 823 N GLN A 52 1.415 -8.710 -0.973 1.00 74.05 N ATOM 824 CA GLN A 52 1.081 -8.661 -2.390 1.00 11.43 C ATOM 825 C GLN A 52 0.042 -7.582 -2.661 1.00 60.14 C ATOM 826 O GLN A 52 -1.124 -7.705 -2.272 1.00 42.41 O ATOM 827 CB GLN A 52 0.560 -10.013 -2.893 1.00 4.15 C ATOM 828 CG GLN A 52 1.649 -11.052 -3.114 1.00 32.31 C ATOM 829 CD GLN A 52 2.258 -11.578 -1.827 1.00 51.24 C ATOM 830 OE1 GLN A 52 1.587 -11.685 -0.800 1.00 75.50 O ATOM 831 NE2 GLN A 52 3.543 -11.894 -1.870 1.00 3.21 N ATOM 0 H GLN A 52 0.787 -9.288 -0.415 1.00 74.05 H new ATOM 0 HA GLN A 52 1.998 -8.423 -2.930 1.00 11.43 H new ATOM 0 HB2 GLN A 52 -0.160 -10.404 -2.174 1.00 4.15 H new ATOM 0 HB3 GLN A 52 0.024 -9.859 -3.829 1.00 4.15 H new ATOM 0 HG2 GLN A 52 1.233 -11.887 -3.677 1.00 32.31 H new ATOM 0 HG3 GLN A 52 2.437 -10.615 -3.727 1.00 32.31 H new ATOM 0 HE21 GLN A 52 4.065 -11.791 -2.741 1.00 3.21 H new ATOM 0 HE22 GLN A 52 4.011 -12.240 -1.033 1.00 3.21 H new ATOM 840 N ILE A 53 0.471 -6.529 -3.328 1.00 64.31 N ATOM 841 CA ILE A 53 -0.406 -5.424 -3.670 1.00 54.53 C ATOM 842 C ILE A 53 -0.448 -5.234 -5.177 1.00 40.00 C ATOM 843 O ILE A 53 0.549 -5.450 -5.863 1.00 70.32 O ATOM 844 CB ILE A 53 0.056 -4.110 -3.008 1.00 10.14 C ATOM 845 CG1 ILE A 53 1.526 -3.832 -3.349 1.00 53.24 C ATOM 846 CG2 ILE A 53 -0.147 -4.174 -1.500 1.00 73.22 C ATOM 847 CD1 ILE A 53 2.041 -2.516 -2.810 1.00 50.42 C ATOM 0 H ILE A 53 1.433 -6.414 -3.648 1.00 64.31 H new ATOM 0 HA ILE A 53 -1.401 -5.669 -3.299 1.00 54.53 H new ATOM 0 HB ILE A 53 -0.548 -3.290 -3.397 1.00 10.14 H new ATOM 0 HG12 ILE A 53 2.140 -4.641 -2.953 1.00 53.24 H new ATOM 0 HG13 ILE A 53 1.646 -3.842 -4.432 1.00 53.24 H new ATOM 0 HG21 ILE A 53 0.184 -3.239 -1.048 1.00 73.22 H new ATOM 0 HG22 ILE A 53 -1.204 -4.329 -1.281 1.00 73.22 H new ATOM 0 HG23 ILE A 53 0.433 -5.001 -1.090 1.00 73.22 H new ATOM 0 HD11 ILE A 53 3.086 -2.391 -3.092 1.00 50.42 H new ATOM 0 HD12 ILE A 53 1.453 -1.698 -3.226 1.00 50.42 H new ATOM 0 HD13 ILE A 53 1.955 -2.509 -1.723 1.00 50.42 H new ATOM 859 N ASN A 54 -1.600 -4.854 -5.697 1.00 73.33 N ATOM 860 CA ASN A 54 -1.733 -4.605 -7.121 1.00 42.31 C ATOM 861 C ASN A 54 -1.775 -3.105 -7.385 1.00 50.13 C ATOM 862 O ASN A 54 -2.717 -2.417 -6.980 1.00 22.45 O ATOM 863 CB ASN A 54 -2.988 -5.285 -7.675 1.00 34.51 C ATOM 864 CG ASN A 54 -3.013 -5.301 -9.192 1.00 61.10 C ATOM 865 OD1 ASN A 54 -3.517 -4.378 -9.827 1.00 70.23 O ATOM 866 ND2 ASN A 54 -2.475 -6.357 -9.782 1.00 0.02 N ATOM 0 H ASN A 54 -2.454 -4.711 -5.158 1.00 73.33 H new ATOM 0 HA ASN A 54 -0.868 -5.027 -7.632 1.00 42.31 H new ATOM 0 HB2 ASN A 54 -3.039 -6.308 -7.302 1.00 34.51 H new ATOM 0 HB3 ASN A 54 -3.873 -4.767 -7.305 1.00 34.51 H new ATOM 0 HD21 ASN A 54 -2.469 -6.425 -10.800 1.00 0.02 H new ATOM 0 HD22 ASN A 54 -2.066 -7.103 -9.219 1.00 0.02 H new ATOM 873 N VAL A 55 -0.740 -2.605 -8.042 1.00 2.24 N ATOM 874 CA VAL A 55 -0.610 -1.182 -8.321 1.00 55.31 C ATOM 875 C VAL A 55 -0.445 -0.948 -9.817 1.00 71.41 C ATOM 876 O VAL A 55 0.499 -1.452 -10.425 1.00 50.14 O ATOM 877 CB VAL A 55 0.604 -0.570 -7.583 1.00 73.15 C ATOM 878 CG1 VAL A 55 0.716 0.925 -7.857 1.00 62.34 C ATOM 879 CG2 VAL A 55 0.517 -0.833 -6.089 1.00 61.00 C ATOM 0 H VAL A 55 0.031 -3.171 -8.396 1.00 2.24 H new ATOM 0 HA VAL A 55 -1.520 -0.697 -7.966 1.00 55.31 H new ATOM 0 HB VAL A 55 1.504 -1.053 -7.965 1.00 73.15 H new ATOM 0 HG11 VAL A 55 1.578 1.329 -7.326 1.00 62.34 H new ATOM 0 HG12 VAL A 55 0.839 1.091 -8.927 1.00 62.34 H new ATOM 0 HG13 VAL A 55 -0.189 1.427 -7.514 1.00 62.34 H new ATOM 0 HG21 VAL A 55 1.381 -0.393 -5.591 1.00 61.00 H new ATOM 0 HG22 VAL A 55 -0.395 -0.387 -5.694 1.00 61.00 H new ATOM 0 HG23 VAL A 55 0.503 -1.908 -5.909 1.00 61.00 H new ATOM 889 N ARG A 56 -1.386 -0.209 -10.403 1.00 52.12 N ATOM 890 CA ARG A 56 -1.331 0.158 -11.819 1.00 31.24 C ATOM 891 C ARG A 56 -1.370 -1.083 -12.710 1.00 51.01 C ATOM 892 O ARG A 56 -0.867 -1.073 -13.834 1.00 50.24 O ATOM 893 CB ARG A 56 -0.070 0.982 -12.124 1.00 25.32 C ATOM 894 CG ARG A 56 0.061 2.244 -11.285 1.00 31.02 C ATOM 895 CD ARG A 56 1.259 3.068 -11.718 1.00 14.21 C ATOM 896 NE ARG A 56 1.433 4.268 -10.898 1.00 43.43 N ATOM 897 CZ ARG A 56 1.950 5.407 -11.355 1.00 53.35 C ATOM 898 NH1 ARG A 56 2.265 5.528 -12.635 1.00 31.13 N ATOM 899 NH2 ARG A 56 2.137 6.430 -10.532 1.00 34.42 N ATOM 0 H ARG A 56 -2.205 0.151 -9.913 1.00 52.12 H new ATOM 0 HA ARG A 56 -2.208 0.768 -12.034 1.00 31.24 H new ATOM 0 HB2 ARG A 56 0.808 0.357 -11.962 1.00 25.32 H new ATOM 0 HB3 ARG A 56 -0.075 1.258 -13.179 1.00 25.32 H new ATOM 0 HG2 ARG A 56 -0.847 2.841 -11.377 1.00 31.02 H new ATOM 0 HG3 ARG A 56 0.161 1.976 -10.233 1.00 31.02 H new ATOM 0 HD2 ARG A 56 2.159 2.456 -11.658 1.00 14.21 H new ATOM 0 HD3 ARG A 56 1.140 3.358 -12.762 1.00 14.21 H new ATOM 0 HE ARG A 56 1.142 4.230 -9.921 1.00 43.43 H new ATOM 0 HH11 ARG A 56 2.112 4.748 -13.274 1.00 31.13 H new ATOM 0 HH12 ARG A 56 2.661 6.402 -12.982 1.00 31.13 H new ATOM 0 HH21 ARG A 56 1.885 6.345 -9.547 1.00 34.42 H new ATOM 0 HH22 ARG A 56 2.533 7.302 -10.884 1.00 34.42 H new ATOM 913 N GLY A 57 -1.985 -2.148 -12.205 1.00 51.25 N ATOM 914 CA GLY A 57 -2.067 -3.389 -12.951 1.00 32.12 C ATOM 915 C GLY A 57 -0.937 -4.340 -12.612 1.00 61.05 C ATOM 916 O GLY A 57 -1.010 -5.534 -12.900 1.00 23.11 O ATOM 0 H GLY A 57 -2.430 -2.172 -11.287 1.00 51.25 H new ATOM 0 HA2 GLY A 57 -3.021 -3.873 -12.743 1.00 32.12 H new ATOM 0 HA3 GLY A 57 -2.047 -3.170 -14.019 1.00 32.12 H new ATOM 920 N TYR A 58 0.106 -3.814 -11.994 1.00 35.24 N ATOM 921 CA TYR A 58 1.258 -4.619 -11.626 1.00 44.50 C ATOM 922 C TYR A 58 1.089 -5.169 -10.221 1.00 3.22 C ATOM 923 O TYR A 58 0.781 -4.428 -9.291 1.00 75.44 O ATOM 924 CB TYR A 58 2.535 -3.780 -11.703 1.00 61.42 C ATOM 925 CG TYR A 58 3.571 -4.335 -12.653 1.00 11.25 C ATOM 926 CD1 TYR A 58 4.516 -5.254 -12.220 1.00 32.42 C ATOM 927 CD2 TYR A 58 3.598 -3.941 -13.985 1.00 52.24 C ATOM 928 CE1 TYR A 58 5.460 -5.765 -13.087 1.00 53.21 C ATOM 929 CE2 TYR A 58 4.535 -4.449 -14.856 1.00 31.11 C ATOM 930 CZ TYR A 58 5.465 -5.359 -14.404 1.00 3.03 C ATOM 931 OH TYR A 58 6.396 -5.866 -15.275 1.00 13.32 O ATOM 0 H TYR A 58 0.179 -2.830 -11.736 1.00 35.24 H new ATOM 0 HA TYR A 58 1.336 -5.451 -12.325 1.00 44.50 H new ATOM 0 HB2 TYR A 58 2.276 -2.768 -12.013 1.00 61.42 H new ATOM 0 HB3 TYR A 58 2.971 -3.706 -10.707 1.00 61.42 H new ATOM 0 HD1 TYR A 58 4.513 -5.574 -11.189 1.00 32.42 H new ATOM 0 HD2 TYR A 58 2.873 -3.225 -14.343 1.00 52.24 H new ATOM 0 HE1 TYR A 58 6.190 -6.479 -12.736 1.00 53.21 H new ATOM 0 HE2 TYR A 58 4.541 -4.135 -15.889 1.00 31.11 H new ATOM 0 HH TYR A 58 6.259 -5.476 -16.164 1.00 13.32 H new ATOM 941 N GLU A 59 1.290 -6.465 -10.067 1.00 44.42 N ATOM 942 CA GLU A 59 1.196 -7.083 -8.760 1.00 21.21 C ATOM 943 C GLU A 59 2.580 -7.201 -8.149 1.00 52.30 C ATOM 944 O GLU A 59 3.460 -7.879 -8.682 1.00 62.31 O ATOM 945 CB GLU A 59 0.515 -8.442 -8.859 1.00 25.40 C ATOM 946 CG GLU A 59 0.248 -9.099 -7.518 1.00 52.30 C ATOM 947 CD GLU A 59 -0.704 -10.267 -7.638 1.00 33.42 C ATOM 948 OE1 GLU A 59 -1.903 -10.089 -7.345 1.00 21.43 O ATOM 949 OE2 GLU A 59 -0.266 -11.365 -8.041 1.00 1.02 O ATOM 0 H GLU A 59 1.518 -7.106 -10.827 1.00 44.42 H new ATOM 0 HA GLU A 59 0.585 -6.457 -8.109 1.00 21.21 H new ATOM 0 HB2 GLU A 59 -0.430 -8.325 -9.389 1.00 25.40 H new ATOM 0 HB3 GLU A 59 1.137 -9.106 -9.459 1.00 25.40 H new ATOM 0 HG2 GLU A 59 1.189 -9.442 -7.089 1.00 52.30 H new ATOM 0 HG3 GLU A 59 -0.167 -8.363 -6.830 1.00 52.30 H new ATOM 957 N LEU A 60 2.757 -6.523 -7.038 1.00 64.03 N ATOM 958 CA LEU A 60 4.062 -6.387 -6.413 1.00 24.03 C ATOM 959 C LEU A 60 4.088 -7.057 -5.048 1.00 52.51 C ATOM 960 O LEU A 60 3.083 -7.083 -4.338 1.00 41.20 O ATOM 961 CB LEU A 60 4.414 -4.906 -6.256 1.00 44.15 C ATOM 962 CG LEU A 60 4.343 -4.079 -7.541 1.00 75.02 C ATOM 963 CD1 LEU A 60 4.600 -2.612 -7.239 1.00 21.12 C ATOM 964 CD2 LEU A 60 5.345 -4.597 -8.562 1.00 44.22 C ATOM 0 H LEU A 60 2.004 -6.049 -6.539 1.00 64.03 H new ATOM 0 HA LEU A 60 4.795 -6.875 -7.055 1.00 24.03 H new ATOM 0 HB2 LEU A 60 3.740 -4.465 -5.522 1.00 44.15 H new ATOM 0 HB3 LEU A 60 5.422 -4.830 -5.849 1.00 44.15 H new ATOM 0 HG LEU A 60 3.342 -4.175 -7.962 1.00 75.02 H new ATOM 0 HD11 LEU A 60 4.546 -2.036 -8.163 1.00 21.12 H new ATOM 0 HD12 LEU A 60 3.848 -2.247 -6.539 1.00 21.12 H new ATOM 0 HD13 LEU A 60 5.590 -2.499 -6.798 1.00 21.12 H new ATOM 0 HD21 LEU A 60 5.282 -3.998 -9.470 1.00 44.22 H new ATOM 0 HD22 LEU A 60 6.352 -4.528 -8.151 1.00 44.22 H new ATOM 0 HD23 LEU A 60 5.120 -5.637 -8.797 1.00 44.22 H new ATOM 976 N SER A 61 5.237 -7.603 -4.693 1.00 53.43 N ATOM 977 CA SER A 61 5.445 -8.144 -3.361 1.00 54.43 C ATOM 978 C SER A 61 6.471 -7.293 -2.620 1.00 14.42 C ATOM 979 O SER A 61 7.660 -7.312 -2.945 1.00 54.44 O ATOM 980 CB SER A 61 5.906 -9.600 -3.442 1.00 14.22 C ATOM 981 OG SER A 61 4.941 -10.397 -4.108 1.00 4.31 O ATOM 0 H SER A 61 6.044 -7.684 -5.311 1.00 53.43 H new ATOM 0 HA SER A 61 4.503 -8.120 -2.813 1.00 54.43 H new ATOM 0 HB2 SER A 61 6.858 -9.656 -3.970 1.00 14.22 H new ATOM 0 HB3 SER A 61 6.075 -9.989 -2.438 1.00 14.22 H new ATOM 0 HG SER A 61 5.319 -11.282 -4.293 1.00 4.31 H new ATOM 987 N LEU A 62 6.002 -6.540 -1.637 1.00 35.42 N ATOM 988 CA LEU A 62 6.861 -5.620 -0.906 1.00 23.35 C ATOM 989 C LEU A 62 7.192 -6.146 0.476 1.00 44.31 C ATOM 990 O LEU A 62 6.433 -6.921 1.058 1.00 0.32 O ATOM 991 CB LEU A 62 6.206 -4.241 -0.782 1.00 43.44 C ATOM 992 CG LEU A 62 6.510 -3.268 -1.920 1.00 31.50 C ATOM 993 CD1 LEU A 62 5.789 -1.946 -1.700 1.00 42.34 C ATOM 994 CD2 LEU A 62 8.007 -3.042 -2.025 1.00 72.33 C ATOM 0 H LEU A 62 5.030 -6.548 -1.326 1.00 35.42 H new ATOM 0 HA LEU A 62 7.787 -5.529 -1.474 1.00 23.35 H new ATOM 0 HB2 LEU A 62 5.126 -4.375 -0.719 1.00 43.44 H new ATOM 0 HB3 LEU A 62 6.526 -3.788 0.156 1.00 43.44 H new ATOM 0 HG LEU A 62 6.153 -3.702 -2.854 1.00 31.50 H new ATOM 0 HD11 LEU A 62 6.018 -1.266 -2.521 1.00 42.34 H new ATOM 0 HD12 LEU A 62 4.714 -2.120 -1.662 1.00 42.34 H new ATOM 0 HD13 LEU A 62 6.119 -1.504 -0.760 1.00 42.34 H new ATOM 0 HD21 LEU A 62 8.214 -2.347 -2.839 1.00 72.33 H new ATOM 0 HD22 LEU A 62 8.379 -2.625 -1.089 1.00 72.33 H new ATOM 0 HD23 LEU A 62 8.505 -3.991 -2.223 1.00 72.33 H new ATOM 1006 N ARG A 63 8.339 -5.716 0.984 1.00 34.20 N ATOM 1007 CA ARG A 63 8.782 -6.078 2.319 1.00 44.31 C ATOM 1008 C ARG A 63 7.853 -5.478 3.366 1.00 24.42 C ATOM 1009 O ARG A 63 7.310 -4.386 3.176 1.00 3.22 O ATOM 1010 CB ARG A 63 10.210 -5.577 2.550 1.00 73.41 C ATOM 1011 CG ARG A 63 11.256 -6.677 2.693 1.00 51.24 C ATOM 1012 CD ARG A 63 11.289 -7.606 1.488 1.00 31.42 C ATOM 1013 NE ARG A 63 10.503 -8.819 1.702 1.00 53.32 N ATOM 1014 CZ ARG A 63 10.591 -9.903 0.928 1.00 65.12 C ATOM 1015 NH1 ARG A 63 11.400 -9.908 -0.125 1.00 4.42 N ATOM 1016 NH2 ARG A 63 9.888 -10.988 1.225 1.00 61.35 N ATOM 0 H ARG A 63 8.986 -5.108 0.482 1.00 34.20 H new ATOM 0 HA ARG A 63 8.762 -7.164 2.409 1.00 44.31 H new ATOM 0 HB2 ARG A 63 10.493 -4.931 1.719 1.00 73.41 H new ATOM 0 HB3 ARG A 63 10.224 -4.962 3.450 1.00 73.41 H new ATOM 0 HG2 ARG A 63 12.239 -6.225 2.827 1.00 51.24 H new ATOM 0 HG3 ARG A 63 11.048 -7.258 3.591 1.00 51.24 H new ATOM 0 HD2 ARG A 63 10.907 -7.078 0.614 1.00 31.42 H new ATOM 0 HD3 ARG A 63 12.322 -7.878 1.270 1.00 31.42 H new ATOM 0 HE ARG A 63 9.851 -8.839 2.486 1.00 53.32 H new ATOM 0 HH11 ARG A 63 11.957 -9.082 -0.344 1.00 4.42 H new ATOM 0 HH12 ARG A 63 11.465 -10.738 -0.714 1.00 4.42 H new ATOM 0 HH21 ARG A 63 9.281 -10.994 2.044 1.00 61.35 H new ATOM 0 HH22 ARG A 63 9.955 -11.817 0.634 1.00 61.35 H new ATOM 1030 N LYS A 64 7.682 -6.196 4.465 1.00 63.40 N ATOM 1031 CA LYS A 64 6.848 -5.742 5.572 1.00 44.00 C ATOM 1032 C LYS A 64 7.299 -4.360 6.039 1.00 52.21 C ATOM 1033 O LYS A 64 6.474 -3.481 6.291 1.00 33.51 O ATOM 1034 CB LYS A 64 6.916 -6.764 6.720 1.00 61.20 C ATOM 1035 CG LYS A 64 5.925 -6.527 7.857 1.00 72.43 C ATOM 1036 CD LYS A 64 6.410 -5.475 8.846 1.00 31.41 C ATOM 1037 CE LYS A 64 7.735 -5.870 9.481 1.00 24.41 C ATOM 1038 NZ LYS A 64 8.172 -4.884 10.498 1.00 53.21 N ATOM 0 H LYS A 64 8.115 -7.107 4.617 1.00 63.40 H new ATOM 0 HA LYS A 64 5.813 -5.662 5.239 1.00 44.00 H new ATOM 0 HB2 LYS A 64 6.744 -7.759 6.310 1.00 61.20 H new ATOM 0 HB3 LYS A 64 7.925 -6.759 7.131 1.00 61.20 H new ATOM 0 HG2 LYS A 64 4.967 -6.215 7.440 1.00 72.43 H new ATOM 0 HG3 LYS A 64 5.752 -7.465 8.385 1.00 72.43 H new ATOM 0 HD2 LYS A 64 6.522 -4.519 8.335 1.00 31.41 H new ATOM 0 HD3 LYS A 64 5.660 -5.334 9.625 1.00 31.41 H new ATOM 0 HE2 LYS A 64 7.638 -6.852 9.944 1.00 24.41 H new ATOM 0 HE3 LYS A 64 8.498 -5.957 8.707 1.00 24.41 H new ATOM 0 HZ1 LYS A 64 9.024 -5.237 10.980 1.00 53.21 H new ATOM 0 HZ2 LYS A 64 8.387 -3.978 10.034 1.00 53.21 H new ATOM 0 HZ3 LYS A 64 7.413 -4.744 11.195 1.00 53.21 H new ATOM 1052 N SER A 65 8.611 -4.171 6.121 1.00 45.52 N ATOM 1053 CA SER A 65 9.181 -2.907 6.572 1.00 64.03 C ATOM 1054 C SER A 65 8.795 -1.747 5.651 1.00 14.15 C ATOM 1055 O SER A 65 8.621 -0.615 6.102 1.00 14.24 O ATOM 1056 CB SER A 65 10.700 -3.029 6.656 1.00 62.43 C ATOM 1057 OG SER A 65 11.071 -4.102 7.507 1.00 53.33 O ATOM 0 H SER A 65 9.303 -4.881 5.880 1.00 45.52 H new ATOM 0 HA SER A 65 8.775 -2.689 7.560 1.00 64.03 H new ATOM 0 HB2 SER A 65 11.113 -3.189 5.660 1.00 62.43 H new ATOM 0 HB3 SER A 65 11.124 -2.098 7.031 1.00 62.43 H new ATOM 0 HG SER A 65 12.048 -4.165 7.547 1.00 53.33 H new ATOM 1063 N ALA A 66 8.649 -2.031 4.362 1.00 14.33 N ATOM 1064 CA ALA A 66 8.305 -0.997 3.395 1.00 71.04 C ATOM 1065 C ALA A 66 6.832 -0.623 3.506 1.00 71.02 C ATOM 1066 O ALA A 66 6.463 0.541 3.349 1.00 41.54 O ATOM 1067 CB ALA A 66 8.635 -1.455 1.981 1.00 11.13 C ATOM 0 H ALA A 66 8.763 -2.963 3.964 1.00 14.33 H new ATOM 0 HA ALA A 66 8.900 -0.111 3.617 1.00 71.04 H new ATOM 0 HB1 ALA A 66 8.371 -0.669 1.273 1.00 11.13 H new ATOM 0 HB2 ALA A 66 9.702 -1.667 1.907 1.00 11.13 H new ATOM 0 HB3 ALA A 66 8.069 -2.357 1.749 1.00 11.13 H new ATOM 1073 N ALA A 67 5.997 -1.614 3.798 1.00 32.33 N ATOM 1074 CA ALA A 67 4.560 -1.397 3.915 1.00 43.43 C ATOM 1075 C ALA A 67 4.230 -0.568 5.155 1.00 74.21 C ATOM 1076 O ALA A 67 3.173 0.062 5.229 1.00 34.30 O ATOM 1077 CB ALA A 67 3.823 -2.730 3.946 1.00 42.02 C ATOM 0 H ALA A 67 6.291 -2.577 3.958 1.00 32.33 H new ATOM 0 HA ALA A 67 4.228 -0.837 3.041 1.00 43.43 H new ATOM 0 HB1 ALA A 67 2.751 -2.551 4.034 1.00 42.02 H new ATOM 0 HB2 ALA A 67 4.025 -3.279 3.026 1.00 42.02 H new ATOM 0 HB3 ALA A 67 4.164 -3.315 4.800 1.00 42.02 H new ATOM 1083 N GLU A 68 5.143 -0.571 6.124 1.00 0.05 N ATOM 1084 CA GLU A 68 4.989 0.228 7.336 1.00 30.01 C ATOM 1085 C GLU A 68 5.075 1.719 7.020 1.00 23.40 C ATOM 1086 O GLU A 68 4.440 2.547 7.674 1.00 63.43 O ATOM 1087 CB GLU A 68 6.079 -0.121 8.350 1.00 73.50 C ATOM 1088 CG GLU A 68 6.044 -1.558 8.835 1.00 62.02 C ATOM 1089 CD GLU A 68 7.159 -1.856 9.815 1.00 15.22 C ATOM 1090 OE1 GLU A 68 7.048 -1.450 10.991 1.00 14.41 O ATOM 1091 OE2 GLU A 68 8.150 -2.502 9.420 1.00 41.21 O ATOM 0 H GLU A 68 6.001 -1.121 6.092 1.00 0.05 H new ATOM 0 HA GLU A 68 4.008 0.003 7.755 1.00 30.01 H new ATOM 0 HB2 GLU A 68 7.053 0.075 7.901 1.00 73.50 H new ATOM 0 HB3 GLU A 68 5.985 0.543 9.210 1.00 73.50 H new ATOM 0 HG2 GLU A 68 5.083 -1.757 9.309 1.00 62.02 H new ATOM 0 HG3 GLU A 68 6.123 -2.230 7.981 1.00 62.02 H new ATOM 1099 N MET A 69 5.861 2.049 6.006 1.00 3.04 N ATOM 1100 CA MET A 69 6.139 3.439 5.676 1.00 72.33 C ATOM 1101 C MET A 69 5.024 4.039 4.832 1.00 63.52 C ATOM 1102 O MET A 69 4.867 5.258 4.767 1.00 73.42 O ATOM 1103 CB MET A 69 7.471 3.551 4.935 1.00 41.23 C ATOM 1104 CG MET A 69 8.650 2.989 5.711 1.00 13.01 C ATOM 1105 SD MET A 69 8.886 3.799 7.305 1.00 1.20 S ATOM 1106 CE MET A 69 10.203 2.796 7.990 1.00 70.44 C ATOM 0 H MET A 69 6.319 1.371 5.396 1.00 3.04 H new ATOM 0 HA MET A 69 6.199 3.999 6.609 1.00 72.33 H new ATOM 0 HB2 MET A 69 7.392 3.028 3.982 1.00 41.23 H new ATOM 0 HB3 MET A 69 7.663 4.600 4.708 1.00 41.23 H new ATOM 0 HG2 MET A 69 8.499 1.921 5.870 1.00 13.01 H new ATOM 0 HG3 MET A 69 9.556 3.098 5.115 1.00 13.01 H new ATOM 0 HE1 MET A 69 10.467 3.169 8.980 1.00 70.44 H new ATOM 0 HE2 MET A 69 9.869 1.761 8.069 1.00 70.44 H new ATOM 0 HE3 MET A 69 11.076 2.847 7.339 1.00 70.44 H new ATOM 1116 N ILE A 70 4.245 3.186 4.194 1.00 31.13 N ATOM 1117 CA ILE A 70 3.177 3.650 3.328 1.00 54.21 C ATOM 1118 C ILE A 70 1.938 4.002 4.145 1.00 50.14 C ATOM 1119 O ILE A 70 1.280 3.126 4.698 1.00 31.24 O ATOM 1120 CB ILE A 70 2.819 2.593 2.261 1.00 15.32 C ATOM 1121 CG1 ILE A 70 4.081 2.159 1.508 1.00 42.42 C ATOM 1122 CG2 ILE A 70 1.786 3.151 1.291 1.00 33.31 C ATOM 1123 CD1 ILE A 70 3.846 1.054 0.502 1.00 73.43 C ATOM 0 H ILE A 70 4.331 2.172 4.258 1.00 31.13 H new ATOM 0 HA ILE A 70 3.533 4.545 2.818 1.00 54.21 H new ATOM 0 HB ILE A 70 2.391 1.722 2.757 1.00 15.32 H new ATOM 0 HG12 ILE A 70 4.500 3.023 0.992 1.00 42.42 H new ATOM 0 HG13 ILE A 70 4.827 1.827 2.230 1.00 42.42 H new ATOM 0 HG21 ILE A 70 1.543 2.395 0.544 1.00 33.31 H new ATOM 0 HG22 ILE A 70 0.884 3.424 1.838 1.00 33.31 H new ATOM 0 HG23 ILE A 70 2.191 4.033 0.796 1.00 33.31 H new ATOM 0 HD11 ILE A 70 4.786 0.803 0.011 1.00 73.43 H new ATOM 0 HD12 ILE A 70 3.457 0.173 1.013 1.00 73.43 H new ATOM 0 HD13 ILE A 70 3.125 1.388 -0.244 1.00 73.43 H new ATOM 1135 N GLU A 71 1.647 5.295 4.230 1.00 34.02 N ATOM 1136 CA GLU A 71 0.479 5.786 4.948 1.00 51.01 C ATOM 1137 C GLU A 71 -0.710 5.839 4.000 1.00 51.40 C ATOM 1138 O GLU A 71 -0.727 6.630 3.051 1.00 63.42 O ATOM 1139 CB GLU A 71 0.763 7.181 5.508 1.00 44.42 C ATOM 1140 CG GLU A 71 -0.398 7.806 6.266 1.00 31.13 C ATOM 1141 CD GLU A 71 -0.465 7.360 7.710 1.00 51.32 C ATOM 1142 OE1 GLU A 71 -1.539 6.890 8.148 1.00 71.42 O ATOM 1143 OE2 GLU A 71 0.556 7.498 8.418 1.00 71.00 O ATOM 0 H GLU A 71 2.213 6.029 3.804 1.00 34.02 H new ATOM 0 HA GLU A 71 0.252 5.114 5.775 1.00 51.01 H new ATOM 0 HB2 GLU A 71 1.625 7.123 6.173 1.00 44.42 H new ATOM 0 HB3 GLU A 71 1.039 7.840 4.685 1.00 44.42 H new ATOM 0 HG2 GLU A 71 -0.307 8.892 6.230 1.00 31.13 H new ATOM 0 HG3 GLU A 71 -1.332 7.548 5.767 1.00 31.13 H new ATOM 1151 N VAL A 72 -1.695 4.997 4.249 1.00 21.45 N ATOM 1152 CA VAL A 72 -2.840 4.895 3.365 1.00 54.15 C ATOM 1153 C VAL A 72 -4.140 5.166 4.105 1.00 52.45 C ATOM 1154 O VAL A 72 -4.192 5.138 5.336 1.00 15.45 O ATOM 1155 CB VAL A 72 -2.925 3.506 2.694 1.00 24.42 C ATOM 1156 CG1 VAL A 72 -1.758 3.287 1.744 1.00 71.03 C ATOM 1157 CG2 VAL A 72 -2.979 2.399 3.742 1.00 73.43 C ATOM 0 H VAL A 72 -1.725 4.374 5.056 1.00 21.45 H new ATOM 0 HA VAL A 72 -2.700 5.653 2.594 1.00 54.15 H new ATOM 0 HB VAL A 72 -3.846 3.472 2.113 1.00 24.42 H new ATOM 0 HG11 VAL A 72 -1.842 2.302 1.285 1.00 71.03 H new ATOM 0 HG12 VAL A 72 -1.773 4.051 0.967 1.00 71.03 H new ATOM 0 HG13 VAL A 72 -0.821 3.350 2.298 1.00 71.03 H new ATOM 0 HG21 VAL A 72 -3.039 1.430 3.245 1.00 73.43 H new ATOM 0 HG22 VAL A 72 -2.080 2.437 4.358 1.00 73.43 H new ATOM 0 HG23 VAL A 72 -3.857 2.538 4.373 1.00 73.43 H new ATOM 1167 N GLU A 73 -5.181 5.440 3.345 1.00 71.20 N ATOM 1168 CA GLU A 73 -6.511 5.601 3.904 1.00 43.54 C ATOM 1169 C GLU A 73 -7.372 4.426 3.472 1.00 4.20 C ATOM 1170 O GLU A 73 -7.203 3.906 2.367 1.00 2.52 O ATOM 1171 CB GLU A 73 -7.154 6.918 3.441 1.00 1.25 C ATOM 1172 CG GLU A 73 -7.453 6.960 1.952 1.00 72.52 C ATOM 1173 CD GLU A 73 -8.314 8.143 1.552 1.00 74.34 C ATOM 1174 OE1 GLU A 73 -7.762 9.147 1.059 1.00 45.32 O ATOM 1175 OE2 GLU A 73 -9.552 8.067 1.712 1.00 41.14 O ATOM 0 H GLU A 73 -5.132 5.557 2.333 1.00 71.20 H new ATOM 0 HA GLU A 73 -6.434 5.632 4.991 1.00 43.54 H new ATOM 0 HB2 GLU A 73 -8.081 7.074 3.993 1.00 1.25 H new ATOM 0 HB3 GLU A 73 -6.490 7.745 3.693 1.00 1.25 H new ATOM 0 HG2 GLU A 73 -6.514 6.998 1.400 1.00 72.52 H new ATOM 0 HG3 GLU A 73 -7.956 6.037 1.662 1.00 72.52 H new ATOM 1183 N LEU A 74 -8.265 3.988 4.339 1.00 72.11 N ATOM 1184 CA LEU A 74 -9.209 2.952 3.964 1.00 24.21 C ATOM 1185 C LEU A 74 -10.249 3.574 3.043 1.00 33.14 C ATOM 1186 O LEU A 74 -11.040 4.418 3.474 1.00 12.15 O ATOM 1187 CB LEU A 74 -9.866 2.340 5.208 1.00 53.35 C ATOM 1188 CG LEU A 74 -10.200 0.842 5.119 1.00 10.22 C ATOM 1189 CD1 LEU A 74 -11.150 0.551 3.969 1.00 35.40 C ATOM 1190 CD2 LEU A 74 -8.928 0.018 4.973 1.00 63.22 C ATOM 0 H LEU A 74 -8.357 4.328 5.296 1.00 72.11 H new ATOM 0 HA LEU A 74 -8.694 2.143 3.445 1.00 24.21 H new ATOM 0 HB2 LEU A 74 -9.203 2.495 6.059 1.00 53.35 H new ATOM 0 HB3 LEU A 74 -10.786 2.886 5.416 1.00 53.35 H new ATOM 0 HG LEU A 74 -10.699 0.560 6.046 1.00 10.22 H new ATOM 0 HD11 LEU A 74 -11.365 -0.517 3.936 1.00 35.40 H new ATOM 0 HD12 LEU A 74 -12.078 1.103 4.115 1.00 35.40 H new ATOM 0 HD13 LEU A 74 -10.689 0.858 3.030 1.00 35.40 H new ATOM 0 HD21 LEU A 74 -9.185 -1.040 4.912 1.00 63.22 H new ATOM 0 HD22 LEU A 74 -8.403 0.317 4.066 1.00 63.22 H new ATOM 0 HD23 LEU A 74 -8.285 0.186 5.837 1.00 63.22 H new