USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 526 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 33 MET CE :methyl -159:sc= -1.59 (180deg=-0.725) USER MOD Set 1.2: A 48 MET CE :methyl -125:sc= -1.1 (180deg=-0.388) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0201 (180deg=-0.22) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0032 X(o=-0.0032,f=0) USER MOD Single : A 34 THR OG1 : rot 68:sc= 0.747 USER MOD Single : A 35 ASN : amide:sc= -0.0446 K(o=-0.045,f=-0.86) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 61 ASN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.674 USER MOD Single : A 67 GLN : amide:sc=-0.00914 X(o=-0.0091,f=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -104:sc= -2.59! (180deg=-6.47!) USER MOD Single : A 70 THR OG1 : rot 16:sc= 1.02 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.804 -2.154 0.128 1.00 4.54 N ATOM 2 CA MET A 1 9.909 -2.671 -0.671 1.00 2.14 C ATOM 3 C MET A 1 9.592 -4.067 -1.198 1.00 10.32 C ATOM 4 O MET A 1 10.037 -4.447 -2.281 1.00 34.10 O ATOM 5 CB MET A 1 11.194 -2.706 0.159 1.00 21.22 C ATOM 6 CG MET A 1 12.449 -2.429 -0.652 1.00 63.32 C ATOM 7 SD MET A 1 13.533 -1.222 0.135 1.00 21.42 S ATOM 8 CE MET A 1 13.805 -0.079 -1.216 1.00 61.14 C ATOM 0 H1 MET A 1 8.931 -1.133 0.276 1.00 4.54 H new ATOM 0 H2 MET A 1 7.907 -2.323 -0.370 1.00 4.54 H new ATOM 0 H3 MET A 1 8.785 -2.638 1.048 1.00 4.54 H new ATOM 0 HA MET A 1 10.053 -2.005 -1.522 1.00 2.14 H new ATOM 0 HB2 MET A 1 11.119 -1.971 0.960 1.00 21.22 H new ATOM 0 HB3 MET A 1 11.285 -3.684 0.631 1.00 21.22 H new ATOM 0 HG2 MET A 1 12.995 -3.361 -0.798 1.00 63.32 H new ATOM 0 HG3 MET A 1 12.166 -2.067 -1.640 1.00 63.32 H new ATOM 0 HE1 MET A 1 14.459 0.727 -0.884 1.00 61.14 H new ATOM 0 HE2 MET A 1 14.271 -0.605 -2.049 1.00 61.14 H new ATOM 0 HE3 MET A 1 12.851 0.337 -1.538 1.00 61.14 H new ATOM 18 N ASP A 2 8.822 -4.825 -0.426 1.00 14.25 N ATOM 19 CA ASP A 2 8.444 -6.178 -0.815 1.00 64.45 C ATOM 20 C ASP A 2 7.037 -6.511 -0.331 1.00 32.32 C ATOM 21 O ASP A 2 6.842 -7.436 0.459 1.00 3.22 O ATOM 22 CB ASP A 2 9.443 -7.191 -0.253 1.00 65.05 C ATOM 23 CG ASP A 2 9.728 -6.967 1.219 1.00 63.43 C ATOM 24 OD1 ASP A 2 10.592 -6.123 1.534 1.00 51.42 O ATOM 25 OD2 ASP A 2 9.088 -7.638 2.056 1.00 41.02 O ATOM 0 H ASP A 2 8.447 -4.525 0.474 1.00 14.25 H new ATOM 0 HA ASP A 2 8.456 -6.232 -1.904 1.00 64.45 H new ATOM 0 HB2 ASP A 2 9.053 -8.199 -0.395 1.00 65.05 H new ATOM 0 HB3 ASP A 2 10.375 -7.128 -0.814 1.00 65.05 H new ATOM 30 N THR A 3 6.056 -5.751 -0.808 1.00 45.34 N ATOM 31 CA THR A 3 4.667 -5.963 -0.423 1.00 2.05 C ATOM 32 C THR A 3 3.984 -6.959 -1.352 1.00 63.34 C ATOM 33 O THR A 3 3.016 -7.616 -0.970 1.00 72.33 O ATOM 34 CB THR A 3 3.874 -4.643 -0.431 1.00 53.34 C ATOM 35 OG1 THR A 3 4.709 -3.566 0.010 1.00 72.34 O ATOM 36 CG2 THR A 3 2.649 -4.741 0.466 1.00 60.45 C ATOM 0 H THR A 3 6.199 -4.982 -1.463 1.00 45.34 H new ATOM 0 HA THR A 3 4.678 -6.365 0.590 1.00 2.05 H new ATOM 0 HB THR A 3 3.543 -4.451 -1.452 1.00 53.34 H new ATOM 0 HG1 THR A 3 4.197 -2.730 0.000 1.00 72.34 H new ATOM 0 HG21 THR A 3 2.105 -3.797 0.444 1.00 60.45 H new ATOM 0 HG22 THR A 3 2.000 -5.542 0.110 1.00 60.45 H new ATOM 0 HG23 THR A 3 2.962 -4.955 1.488 1.00 60.45 H new ATOM 44 N ASP A 4 4.495 -7.067 -2.574 1.00 21.21 N ATOM 45 CA ASP A 4 3.935 -7.986 -3.559 1.00 1.35 C ATOM 46 C ASP A 4 4.739 -9.281 -3.612 1.00 71.21 C ATOM 47 O ASP A 4 4.226 -10.355 -3.297 1.00 2.13 O ATOM 48 CB ASP A 4 3.907 -7.331 -4.940 1.00 50.24 C ATOM 49 CG ASP A 4 2.629 -7.632 -5.698 1.00 14.42 C ATOM 50 OD1 ASP A 4 1.543 -7.537 -5.089 1.00 54.30 O ATOM 51 OD2 ASP A 4 2.714 -7.963 -6.899 1.00 41.31 O ATOM 0 H ASP A 4 5.296 -6.530 -2.906 1.00 21.21 H new ATOM 0 HA ASP A 4 2.915 -8.225 -3.259 1.00 1.35 H new ATOM 0 HB2 ASP A 4 4.015 -6.252 -4.829 1.00 50.24 H new ATOM 0 HB3 ASP A 4 4.761 -7.679 -5.521 1.00 50.24 H new ATOM 56 N SER A 5 6.001 -9.172 -4.015 1.00 20.35 N ATOM 57 CA SER A 5 6.875 -10.336 -4.114 1.00 55.43 C ATOM 58 C SER A 5 8.305 -9.915 -4.436 1.00 3.33 C ATOM 59 O SER A 5 8.535 -8.861 -5.028 1.00 12.45 O ATOM 60 CB SER A 5 6.360 -11.296 -5.189 1.00 12.44 C ATOM 61 OG SER A 5 6.255 -10.647 -6.444 1.00 64.23 O ATOM 0 H SER A 5 6.441 -8.290 -4.278 1.00 20.35 H new ATOM 0 HA SER A 5 6.873 -10.845 -3.150 1.00 55.43 H new ATOM 0 HB2 SER A 5 7.034 -12.149 -5.272 1.00 12.44 H new ATOM 0 HB3 SER A 5 5.386 -11.687 -4.895 1.00 12.44 H new ATOM 0 HG SER A 5 5.926 -11.282 -7.114 1.00 64.23 H new ATOM 67 N GLU A 6 9.263 -10.747 -4.040 1.00 64.25 N ATOM 68 CA GLU A 6 10.672 -10.461 -4.286 1.00 21.05 C ATOM 69 C GLU A 6 11.556 -11.588 -3.759 1.00 31.12 C ATOM 70 O GLU A 6 12.353 -12.163 -4.500 1.00 13.15 O ATOM 71 CB GLU A 6 11.068 -9.138 -3.628 1.00 5.51 C ATOM 72 CG GLU A 6 11.980 -8.279 -4.489 1.00 13.11 C ATOM 73 CD GLU A 6 11.431 -6.882 -4.705 1.00 45.23 C ATOM 74 OE1 GLU A 6 10.530 -6.724 -5.555 1.00 42.04 O ATOM 75 OE2 GLU A 6 11.903 -5.947 -4.026 1.00 3.25 O ATOM 0 H GLU A 6 9.090 -11.624 -3.548 1.00 64.25 H new ATOM 0 HA GLU A 6 10.818 -10.382 -5.363 1.00 21.05 H new ATOM 0 HB2 GLU A 6 10.165 -8.574 -3.394 1.00 5.51 H new ATOM 0 HB3 GLU A 6 11.567 -9.347 -2.682 1.00 5.51 H new ATOM 0 HG2 GLU A 6 12.961 -8.211 -4.018 1.00 13.11 H new ATOM 0 HG3 GLU A 6 12.123 -8.763 -5.455 1.00 13.11 H new ATOM 82 N GLU A 7 11.408 -11.897 -2.474 1.00 61.13 N ATOM 83 CA GLU A 7 12.194 -12.954 -1.848 1.00 52.03 C ATOM 84 C GLU A 7 11.622 -14.328 -2.184 1.00 62.41 C ATOM 85 O GLU A 7 12.366 -15.281 -2.416 1.00 51.23 O ATOM 86 CB GLU A 7 12.231 -12.762 -0.331 1.00 13.23 C ATOM 87 CG GLU A 7 13.228 -11.711 0.126 1.00 45.34 C ATOM 88 CD GLU A 7 14.021 -12.148 1.342 1.00 10.12 C ATOM 89 OE1 GLU A 7 13.482 -12.930 2.153 1.00 51.04 O ATOM 90 OE2 GLU A 7 15.181 -11.707 1.483 1.00 21.44 O ATOM 0 H GLU A 7 10.752 -11.431 -1.847 1.00 61.13 H new ATOM 0 HA GLU A 7 13.210 -12.897 -2.239 1.00 52.03 H new ATOM 0 HB2 GLU A 7 11.236 -12.482 0.015 1.00 13.23 H new ATOM 0 HB3 GLU A 7 12.477 -13.713 0.141 1.00 13.23 H new ATOM 0 HG2 GLU A 7 13.915 -11.488 -0.690 1.00 45.34 H new ATOM 0 HG3 GLU A 7 12.697 -10.788 0.356 1.00 45.34 H new ATOM 97 N GLU A 8 10.296 -14.422 -2.207 1.00 63.10 N ATOM 98 CA GLU A 8 9.625 -15.680 -2.513 1.00 2.01 C ATOM 99 C GLU A 8 9.947 -16.137 -3.933 1.00 55.20 C ATOM 100 O GLU A 8 9.732 -17.297 -4.287 1.00 15.53 O ATOM 101 CB GLU A 8 8.112 -15.531 -2.344 1.00 12.44 C ATOM 102 CG GLU A 8 7.450 -16.737 -1.699 1.00 15.41 C ATOM 103 CD GLU A 8 6.068 -17.013 -2.260 1.00 62.12 C ATOM 104 OE1 GLU A 8 5.143 -16.225 -1.973 1.00 2.31 O ATOM 105 OE2 GLU A 8 5.912 -18.017 -2.986 1.00 21.11 O ATOM 0 H GLU A 8 9.666 -13.643 -2.018 1.00 63.10 H new ATOM 0 HA GLU A 8 9.988 -16.435 -1.816 1.00 2.01 H new ATOM 0 HB2 GLU A 8 7.908 -14.648 -1.739 1.00 12.44 H new ATOM 0 HB3 GLU A 8 7.661 -15.359 -3.321 1.00 12.44 H new ATOM 0 HG2 GLU A 8 8.080 -17.614 -1.846 1.00 15.41 H new ATOM 0 HG3 GLU A 8 7.376 -16.574 -0.624 1.00 15.41 H new ATOM 112 N ILE A 9 10.462 -15.217 -4.742 1.00 14.13 N ATOM 113 CA ILE A 9 10.813 -15.525 -6.122 1.00 51.24 C ATOM 114 C ILE A 9 12.144 -16.264 -6.199 1.00 63.31 C ATOM 115 O ILE A 9 12.317 -17.169 -7.016 1.00 22.11 O ATOM 116 CB ILE A 9 10.897 -14.248 -6.980 1.00 24.21 C ATOM 117 CG1 ILE A 9 9.561 -13.504 -6.958 1.00 51.33 C ATOM 118 CG2 ILE A 9 11.294 -14.594 -8.407 1.00 62.33 C ATOM 119 CD1 ILE A 9 9.580 -12.205 -7.733 1.00 3.40 C ATOM 0 H ILE A 9 10.645 -14.253 -4.465 1.00 14.13 H new ATOM 0 HA ILE A 9 10.022 -16.165 -6.513 1.00 51.24 H new ATOM 0 HB ILE A 9 11.662 -13.595 -6.559 1.00 24.21 H new ATOM 0 HG12 ILE A 9 8.787 -14.152 -7.369 1.00 51.33 H new ATOM 0 HG13 ILE A 9 9.287 -13.297 -5.924 1.00 51.33 H new ATOM 0 HG21 ILE A 9 11.349 -13.682 -9.001 1.00 62.33 H new ATOM 0 HG22 ILE A 9 12.267 -15.085 -8.405 1.00 62.33 H new ATOM 0 HG23 ILE A 9 10.551 -15.264 -8.839 1.00 62.33 H new ATOM 0 HD11 ILE A 9 8.600 -11.732 -7.674 1.00 3.40 H new ATOM 0 HD12 ILE A 9 10.331 -11.539 -7.308 1.00 3.40 H new ATOM 0 HD13 ILE A 9 9.823 -12.407 -8.776 1.00 3.40 H new ATOM 131 N ARG A 10 13.082 -15.874 -5.342 1.00 32.12 N ATOM 132 CA ARG A 10 14.398 -16.500 -5.312 1.00 20.52 C ATOM 133 C ARG A 10 14.280 -18.001 -5.061 1.00 5.02 C ATOM 134 O ARG A 10 15.031 -18.795 -5.627 1.00 52.23 O ATOM 135 CB ARG A 10 15.267 -15.858 -4.229 1.00 65.14 C ATOM 136 CG ARG A 10 16.558 -16.613 -3.957 1.00 61.31 C ATOM 137 CD ARG A 10 16.438 -17.494 -2.723 1.00 63.24 C ATOM 138 NE ARG A 10 17.220 -16.977 -1.604 1.00 22.15 N ATOM 139 CZ ARG A 10 17.570 -17.709 -0.552 1.00 4.13 C ATOM 140 NH1 ARG A 10 17.210 -18.983 -0.477 1.00 4.33 N ATOM 141 NH2 ARG A 10 18.283 -17.167 0.428 1.00 52.33 N ATOM 0 H ARG A 10 12.955 -15.127 -4.659 1.00 32.12 H new ATOM 0 HA ARG A 10 14.868 -16.347 -6.283 1.00 20.52 H new ATOM 0 HB2 ARG A 10 15.509 -14.838 -4.526 1.00 65.14 H new ATOM 0 HB3 ARG A 10 14.692 -15.793 -3.305 1.00 65.14 H new ATOM 0 HG2 ARG A 10 16.811 -17.228 -4.821 1.00 61.31 H new ATOM 0 HG3 ARG A 10 17.374 -15.903 -3.821 1.00 61.31 H new ATOM 0 HD2 ARG A 10 15.391 -17.567 -2.430 1.00 63.24 H new ATOM 0 HD3 ARG A 10 16.773 -18.503 -2.964 1.00 63.24 H new ATOM 0 HE ARG A 10 17.514 -16.001 -1.631 1.00 22.15 H new ATOM 0 HH11 ARG A 10 16.663 -19.403 -1.228 1.00 4.33 H new ATOM 0 HH12 ARG A 10 17.480 -19.543 0.332 1.00 4.33 H new ATOM 0 HH21 ARG A 10 18.563 -16.188 0.374 1.00 52.33 H new ATOM 0 HH22 ARG A 10 18.551 -17.730 1.235 1.00 52.33 H new ATOM 155 N GLU A 11 13.334 -18.381 -4.208 1.00 2.22 N ATOM 156 CA GLU A 11 13.120 -19.786 -3.881 1.00 43.24 C ATOM 157 C GLU A 11 12.171 -20.438 -4.882 1.00 72.40 C ATOM 158 O GLU A 11 12.285 -21.628 -5.177 1.00 13.30 O ATOM 159 CB GLU A 11 12.559 -19.923 -2.465 1.00 31.44 C ATOM 160 CG GLU A 11 13.076 -21.144 -1.721 1.00 53.50 C ATOM 161 CD GLU A 11 12.437 -21.309 -0.356 1.00 12.43 C ATOM 162 OE1 GLU A 11 11.291 -21.801 -0.293 1.00 54.34 O ATOM 163 OE2 GLU A 11 13.082 -20.946 0.650 1.00 42.23 O ATOM 0 H GLU A 11 12.704 -17.736 -3.731 1.00 2.22 H new ATOM 0 HA GLU A 11 14.082 -20.296 -3.933 1.00 43.24 H new ATOM 0 HB2 GLU A 11 12.810 -19.028 -1.896 1.00 31.44 H new ATOM 0 HB3 GLU A 11 11.471 -19.973 -2.517 1.00 31.44 H new ATOM 0 HG2 GLU A 11 12.885 -22.036 -2.318 1.00 53.50 H new ATOM 0 HG3 GLU A 11 14.157 -21.063 -1.605 1.00 53.50 H new ATOM 170 N ALA A 12 11.234 -19.651 -5.400 1.00 51.10 N ATOM 171 CA ALA A 12 10.266 -20.151 -6.368 1.00 54.52 C ATOM 172 C ALA A 12 10.927 -20.424 -7.715 1.00 32.53 C ATOM 173 O ALA A 12 10.450 -21.248 -8.496 1.00 20.34 O ATOM 174 CB ALA A 12 9.123 -19.159 -6.531 1.00 73.41 C ATOM 0 H ALA A 12 11.125 -18.664 -5.165 1.00 51.10 H new ATOM 0 HA ALA A 12 9.866 -21.092 -5.992 1.00 54.52 H new ATOM 0 HB1 ALA A 12 8.407 -19.545 -7.257 1.00 73.41 H new ATOM 0 HB2 ALA A 12 8.626 -19.016 -5.572 1.00 73.41 H new ATOM 0 HB3 ALA A 12 9.517 -18.205 -6.881 1.00 73.41 H new ATOM 180 N PHE A 13 12.027 -19.728 -7.981 1.00 30.31 N ATOM 181 CA PHE A 13 12.753 -19.896 -9.235 1.00 11.55 C ATOM 182 C PHE A 13 13.838 -20.960 -9.097 1.00 55.01 C ATOM 183 O PHE A 13 14.327 -21.495 -10.092 1.00 52.12 O ATOM 184 CB PHE A 13 13.378 -18.568 -9.668 1.00 14.32 C ATOM 185 CG PHE A 13 13.826 -18.556 -11.101 1.00 40.42 C ATOM 186 CD1 PHE A 13 13.005 -19.049 -12.102 1.00 72.20 C ATOM 187 CD2 PHE A 13 15.069 -18.051 -11.448 1.00 21.02 C ATOM 188 CE1 PHE A 13 13.414 -19.039 -13.422 1.00 62.32 C ATOM 189 CE2 PHE A 13 15.484 -18.038 -12.766 1.00 73.01 C ATOM 190 CZ PHE A 13 14.656 -18.534 -13.754 1.00 52.14 C ATOM 0 H PHE A 13 12.435 -19.043 -7.346 1.00 30.31 H new ATOM 0 HA PHE A 13 12.044 -20.222 -9.996 1.00 11.55 H new ATOM 0 HB2 PHE A 13 12.654 -17.768 -9.515 1.00 14.32 H new ATOM 0 HB3 PHE A 13 14.232 -18.351 -9.027 1.00 14.32 H new ATOM 0 HD1 PHE A 13 12.033 -19.446 -11.848 1.00 72.20 H new ATOM 0 HD2 PHE A 13 15.721 -17.663 -10.679 1.00 21.02 H new ATOM 0 HE1 PHE A 13 12.764 -19.425 -14.193 1.00 62.32 H new ATOM 0 HE2 PHE A 13 16.455 -17.640 -13.023 1.00 73.01 H new ATOM 0 HZ PHE A 13 14.979 -18.527 -14.784 1.00 52.14 H new ATOM 200 N ARG A 14 14.209 -21.261 -7.857 1.00 74.41 N ATOM 201 CA ARG A 14 15.236 -22.260 -7.589 1.00 22.14 C ATOM 202 C ARG A 14 14.637 -23.663 -7.560 1.00 13.01 C ATOM 203 O ARG A 14 15.312 -24.645 -7.869 1.00 42.31 O ATOM 204 CB ARG A 14 15.931 -21.963 -6.258 1.00 74.31 C ATOM 205 CG ARG A 14 17.023 -22.959 -5.906 1.00 23.31 C ATOM 206 CD ARG A 14 17.883 -22.460 -4.755 1.00 53.32 C ATOM 207 NE ARG A 14 18.970 -21.601 -5.217 1.00 22.12 N ATOM 208 CZ ARG A 14 19.875 -21.062 -4.407 1.00 40.14 C ATOM 209 NH1 ARG A 14 19.823 -21.292 -3.103 1.00 0.23 N ATOM 210 NH2 ARG A 14 20.835 -20.291 -4.903 1.00 31.31 N ATOM 0 H ARG A 14 13.814 -20.828 -7.023 1.00 74.41 H new ATOM 0 HA ARG A 14 15.970 -22.214 -8.393 1.00 22.14 H new ATOM 0 HB2 ARG A 14 16.362 -20.963 -6.298 1.00 74.31 H new ATOM 0 HB3 ARG A 14 15.186 -21.957 -5.462 1.00 74.31 H new ATOM 0 HG2 ARG A 14 16.572 -23.914 -5.637 1.00 23.31 H new ATOM 0 HG3 ARG A 14 17.650 -23.137 -6.780 1.00 23.31 H new ATOM 0 HD2 ARG A 14 17.261 -21.909 -4.050 1.00 53.32 H new ATOM 0 HD3 ARG A 14 18.298 -23.312 -4.217 1.00 53.32 H new ATOM 0 HE ARG A 14 19.038 -21.404 -6.216 1.00 22.12 H new ATOM 0 HH11 ARG A 14 19.087 -21.884 -2.719 1.00 0.23 H new ATOM 0 HH12 ARG A 14 20.519 -20.877 -2.484 1.00 0.23 H new ATOM 0 HH21 ARG A 14 20.878 -20.112 -5.906 1.00 31.31 H new ATOM 0 HH22 ARG A 14 21.529 -19.877 -4.281 1.00 31.31 H new ATOM 224 N VAL A 15 13.364 -23.750 -7.186 1.00 1.41 N ATOM 225 CA VAL A 15 12.673 -25.032 -7.117 1.00 41.41 C ATOM 226 C VAL A 15 12.371 -25.569 -8.512 1.00 2.34 C ATOM 227 O VAL A 15 12.212 -26.775 -8.703 1.00 44.53 O ATOM 228 CB VAL A 15 11.356 -24.918 -6.327 1.00 0.43 C ATOM 229 CG1 VAL A 15 10.623 -26.251 -6.314 1.00 44.44 C ATOM 230 CG2 VAL A 15 11.626 -24.435 -4.909 1.00 72.05 C ATOM 0 H VAL A 15 12.791 -22.947 -6.926 1.00 1.41 H new ATOM 0 HA VAL A 15 13.339 -25.723 -6.601 1.00 41.41 H new ATOM 0 HB VAL A 15 10.718 -24.185 -6.822 1.00 0.43 H new ATOM 0 HG11 VAL A 15 9.695 -26.150 -5.751 1.00 44.44 H new ATOM 0 HG12 VAL A 15 10.396 -26.552 -7.337 1.00 44.44 H new ATOM 0 HG13 VAL A 15 11.252 -27.007 -5.845 1.00 44.44 H new ATOM 0 HG21 VAL A 15 10.685 -24.360 -4.365 1.00 72.05 H new ATOM 0 HG22 VAL A 15 12.283 -25.142 -4.403 1.00 72.05 H new ATOM 0 HG23 VAL A 15 12.104 -23.456 -4.943 1.00 72.05 H new ATOM 240 N PHE A 16 12.294 -24.666 -9.483 1.00 52.35 N ATOM 241 CA PHE A 16 12.010 -25.048 -10.862 1.00 24.42 C ATOM 242 C PHE A 16 13.293 -25.430 -11.595 1.00 21.11 C ATOM 243 O PHE A 16 13.268 -26.212 -12.545 1.00 63.14 O ATOM 244 CB PHE A 16 11.310 -23.904 -11.598 1.00 3.05 C ATOM 245 CG PHE A 16 9.854 -24.162 -11.861 1.00 24.42 C ATOM 246 CD1 PHE A 16 8.994 -24.480 -10.822 1.00 5.42 C ATOM 247 CD2 PHE A 16 9.346 -24.089 -13.148 1.00 12.34 C ATOM 248 CE1 PHE A 16 7.654 -24.718 -11.060 1.00 50.35 C ATOM 249 CE2 PHE A 16 8.006 -24.325 -13.392 1.00 63.33 C ATOM 250 CZ PHE A 16 7.160 -24.641 -12.348 1.00 34.42 C ATOM 0 H PHE A 16 12.424 -23.664 -9.341 1.00 52.35 H new ATOM 0 HA PHE A 16 11.350 -25.915 -10.844 1.00 24.42 H new ATOM 0 HB2 PHE A 16 11.409 -22.991 -11.011 1.00 3.05 H new ATOM 0 HB3 PHE A 16 11.817 -23.729 -12.547 1.00 3.05 H new ATOM 0 HD1 PHE A 16 9.376 -24.543 -9.814 1.00 5.42 H new ATOM 0 HD2 PHE A 16 10.004 -23.845 -13.969 1.00 12.34 H new ATOM 0 HE1 PHE A 16 6.994 -24.964 -10.241 1.00 50.35 H new ATOM 0 HE2 PHE A 16 7.621 -24.262 -14.399 1.00 63.33 H new ATOM 0 HZ PHE A 16 6.113 -24.828 -12.538 1.00 34.42 H new ATOM 260 N ASP A 17 14.412 -24.872 -11.146 1.00 50.14 N ATOM 261 CA ASP A 17 15.705 -25.153 -11.759 1.00 24.25 C ATOM 262 C ASP A 17 16.393 -26.324 -11.062 1.00 51.44 C ATOM 263 O ASP A 17 17.039 -26.153 -10.028 1.00 41.44 O ATOM 264 CB ASP A 17 16.600 -23.914 -11.703 1.00 40.13 C ATOM 265 CG ASP A 17 17.947 -24.142 -12.361 1.00 32.30 C ATOM 266 OD1 ASP A 17 18.859 -24.659 -11.682 1.00 41.30 O ATOM 267 OD2 ASP A 17 18.088 -23.805 -13.555 1.00 21.51 O ATOM 0 H ASP A 17 14.450 -24.223 -10.360 1.00 50.14 H new ATOM 0 HA ASP A 17 15.535 -25.422 -12.801 1.00 24.25 H new ATOM 0 HB2 ASP A 17 16.095 -23.082 -12.194 1.00 40.13 H new ATOM 0 HB3 ASP A 17 16.751 -23.625 -10.663 1.00 40.13 H new ATOM 272 N LYS A 18 16.249 -27.514 -11.635 1.00 54.34 N ATOM 273 CA LYS A 18 16.855 -28.714 -11.071 1.00 42.44 C ATOM 274 C LYS A 18 18.346 -28.505 -10.824 1.00 71.14 C ATOM 275 O LYS A 18 19.068 -28.023 -11.697 1.00 71.14 O ATOM 276 CB LYS A 18 16.644 -29.905 -12.008 1.00 64.23 C ATOM 277 CG LYS A 18 17.407 -29.792 -13.317 1.00 72.11 C ATOM 278 CD LYS A 18 16.912 -30.802 -14.339 1.00 43.34 C ATOM 279 CE LYS A 18 17.022 -30.259 -15.756 1.00 75.22 C ATOM 280 NZ LYS A 18 15.698 -29.835 -16.291 1.00 60.34 N ATOM 0 H LYS A 18 15.717 -27.673 -12.491 1.00 54.34 H new ATOM 0 HA LYS A 18 16.372 -28.921 -10.116 1.00 42.44 H new ATOM 0 HB2 LYS A 18 16.950 -30.818 -11.496 1.00 64.23 H new ATOM 0 HB3 LYS A 18 15.580 -30.002 -12.224 1.00 64.23 H new ATOM 0 HG2 LYS A 18 17.297 -28.784 -13.717 1.00 72.11 H new ATOM 0 HG3 LYS A 18 18.470 -29.949 -13.134 1.00 72.11 H new ATOM 0 HD2 LYS A 18 17.492 -31.721 -14.254 1.00 43.34 H new ATOM 0 HD3 LYS A 18 15.874 -31.059 -14.126 1.00 43.34 H new ATOM 0 HE2 LYS A 18 17.707 -29.411 -15.768 1.00 75.22 H new ATOM 0 HE3 LYS A 18 17.449 -31.023 -16.406 1.00 75.22 H new ATOM 0 HZ1 LYS A 18 15.815 -29.471 -17.258 1.00 60.34 H new ATOM 0 HZ2 LYS A 18 15.052 -30.650 -16.303 1.00 60.34 H new ATOM 0 HZ3 LYS A 18 15.302 -29.088 -15.685 1.00 60.34 H new ATOM 294 N ASP A 19 18.800 -28.872 -9.631 1.00 62.23 N ATOM 295 CA ASP A 19 20.206 -28.728 -9.271 1.00 12.33 C ATOM 296 C ASP A 19 20.617 -27.259 -9.263 1.00 15.51 C ATOM 297 O ASP A 19 20.785 -26.645 -10.316 1.00 13.23 O ATOM 298 CB ASP A 19 21.087 -29.511 -10.244 1.00 63.34 C ATOM 299 CG ASP A 19 22.262 -30.178 -9.555 1.00 14.53 C ATOM 300 OD1 ASP A 19 23.281 -29.494 -9.325 1.00 43.42 O ATOM 301 OD2 ASP A 19 22.161 -31.382 -9.243 1.00 75.54 O ATOM 0 H ASP A 19 18.215 -29.271 -8.897 1.00 62.23 H new ATOM 0 HA ASP A 19 20.341 -29.130 -8.267 1.00 12.33 H new ATOM 0 HB2 ASP A 19 20.485 -30.269 -10.744 1.00 63.34 H new ATOM 0 HB3 ASP A 19 21.458 -28.837 -11.017 1.00 63.34 H new ATOM 306 N GLY A 20 20.775 -26.700 -8.067 1.00 3.13 N ATOM 307 CA GLY A 20 21.164 -25.307 -7.944 1.00 54.12 C ATOM 308 C GLY A 20 22.402 -24.977 -8.754 1.00 54.22 C ATOM 309 O GLY A 20 23.076 -25.872 -9.262 1.00 51.41 O ATOM 0 H GLY A 20 20.641 -27.187 -7.181 1.00 3.13 H new ATOM 0 HA2 GLY A 20 20.340 -24.673 -8.271 1.00 54.12 H new ATOM 0 HA3 GLY A 20 21.348 -25.076 -6.895 1.00 54.12 H new ATOM 313 N ASN A 21 22.700 -23.688 -8.876 1.00 44.54 N ATOM 314 CA ASN A 21 23.865 -23.241 -9.633 1.00 32.22 C ATOM 315 C ASN A 21 23.743 -23.635 -11.102 1.00 13.42 C ATOM 316 O ASN A 21 24.595 -24.340 -11.639 1.00 44.24 O ATOM 317 CB ASN A 21 25.143 -23.836 -9.039 1.00 3.44 C ATOM 318 CG ASN A 21 26.370 -23.002 -9.355 1.00 51.02 C ATOM 319 OD1 ASN A 21 26.705 -22.788 -10.520 1.00 60.24 O ATOM 320 ND2 ASN A 21 27.046 -22.527 -8.316 1.00 45.20 N ATOM 0 H ASN A 21 22.152 -22.934 -8.461 1.00 44.54 H new ATOM 0 HA ASN A 21 23.914 -22.154 -9.569 1.00 32.22 H new ATOM 0 HB2 ASN A 21 25.033 -23.920 -7.958 1.00 3.44 H new ATOM 0 HB3 ASN A 21 25.284 -24.846 -9.425 1.00 3.44 H new ATOM 0 HD21 ASN A 21 27.880 -21.959 -8.467 1.00 45.20 H new ATOM 0 HD22 ASN A 21 26.731 -22.730 -7.367 1.00 45.20 H new ATOM 327 N GLY A 22 22.675 -23.172 -11.746 1.00 64.21 N ATOM 328 CA GLY A 22 22.461 -23.485 -13.147 1.00 21.42 C ATOM 329 C GLY A 22 21.467 -22.549 -13.805 1.00 3.22 C ATOM 330 O GLY A 22 21.000 -21.593 -13.185 1.00 43.10 O ATOM 0 H GLY A 22 21.955 -22.586 -11.323 1.00 64.21 H new ATOM 0 HA2 GLY A 22 23.412 -23.431 -13.677 1.00 21.42 H new ATOM 0 HA3 GLY A 22 22.103 -24.511 -13.236 1.00 21.42 H new ATOM 334 N TYR A 23 21.144 -22.822 -15.064 1.00 0.21 N ATOM 335 CA TYR A 23 20.202 -21.994 -15.808 1.00 4.30 C ATOM 336 C TYR A 23 19.018 -22.822 -16.298 1.00 44.54 C ATOM 337 O TYR A 23 19.127 -24.035 -16.477 1.00 32.13 O ATOM 338 CB TYR A 23 20.902 -21.331 -16.996 1.00 0.54 C ATOM 339 CG TYR A 23 22.199 -20.645 -16.629 1.00 12.03 C ATOM 340 CD1 TYR A 23 22.259 -19.751 -15.567 1.00 52.32 C ATOM 341 CD2 TYR A 23 23.364 -20.893 -17.343 1.00 45.54 C ATOM 342 CE1 TYR A 23 23.441 -19.122 -15.229 1.00 43.42 C ATOM 343 CE2 TYR A 23 24.552 -20.269 -17.012 1.00 32.15 C ATOM 344 CZ TYR A 23 24.585 -19.384 -15.954 1.00 70.20 C ATOM 345 OH TYR A 23 25.765 -18.761 -15.620 1.00 2.34 O ATOM 0 H TYR A 23 21.520 -23.610 -15.591 1.00 0.21 H new ATOM 0 HA TYR A 23 19.828 -21.221 -15.137 1.00 4.30 H new ATOM 0 HB2 TYR A 23 21.102 -22.086 -17.756 1.00 0.54 H new ATOM 0 HB3 TYR A 23 20.228 -20.600 -17.443 1.00 0.54 H new ATOM 0 HD1 TYR A 23 21.366 -19.544 -14.996 1.00 52.32 H new ATOM 0 HD2 TYR A 23 23.341 -21.586 -18.171 1.00 45.54 H new ATOM 0 HE1 TYR A 23 23.470 -18.429 -14.401 1.00 43.42 H new ATOM 0 HE2 TYR A 23 25.449 -20.473 -17.578 1.00 32.15 H new ATOM 0 HH TYR A 23 26.474 -19.056 -16.228 1.00 2.34 H new ATOM 355 N ILE A 24 17.889 -22.156 -16.515 1.00 10.11 N ATOM 356 CA ILE A 24 16.685 -22.829 -16.986 1.00 52.43 C ATOM 357 C ILE A 24 16.404 -22.493 -18.447 1.00 14.31 C ATOM 358 O ILE A 24 17.035 -21.608 -19.024 1.00 3.43 O ATOM 359 CB ILE A 24 15.458 -22.446 -16.138 1.00 33.32 C ATOM 360 CG1 ILE A 24 15.348 -20.925 -16.017 1.00 54.04 C ATOM 361 CG2 ILE A 24 15.545 -23.087 -14.761 1.00 24.22 C ATOM 362 CD1 ILE A 24 13.986 -20.386 -16.398 1.00 5.43 C ATOM 0 H ILE A 24 17.783 -21.152 -16.372 1.00 10.11 H new ATOM 0 HA ILE A 24 16.863 -23.900 -16.889 1.00 52.43 H new ATOM 0 HB ILE A 24 14.562 -22.818 -16.635 1.00 33.32 H new ATOM 0 HG12 ILE A 24 15.571 -20.633 -14.991 1.00 54.04 H new ATOM 0 HG13 ILE A 24 16.104 -20.462 -16.652 1.00 54.04 H new ATOM 0 HG21 ILE A 24 14.671 -22.807 -14.173 1.00 24.22 H new ATOM 0 HG22 ILE A 24 15.580 -24.171 -14.866 1.00 24.22 H new ATOM 0 HG23 ILE A 24 16.447 -22.743 -14.256 1.00 24.22 H new ATOM 0 HD11 ILE A 24 13.980 -19.302 -16.288 1.00 5.43 H new ATOM 0 HD12 ILE A 24 13.768 -20.647 -17.434 1.00 5.43 H new ATOM 0 HD13 ILE A 24 13.228 -20.820 -15.747 1.00 5.43 H new ATOM 374 N SER A 25 15.450 -23.205 -19.039 1.00 50.51 N ATOM 375 CA SER A 25 15.086 -22.984 -20.434 1.00 14.54 C ATOM 376 C SER A 25 13.954 -21.966 -20.545 1.00 22.11 C ATOM 377 O SER A 25 13.294 -21.646 -19.557 1.00 53.52 O ATOM 378 CB SER A 25 14.668 -24.301 -21.089 1.00 33.54 C ATOM 379 OG SER A 25 13.347 -24.658 -20.719 1.00 71.24 O ATOM 0 H SER A 25 14.916 -23.939 -18.575 1.00 50.51 H new ATOM 0 HA SER A 25 15.959 -22.589 -20.954 1.00 14.54 H new ATOM 0 HB2 SER A 25 14.733 -24.208 -22.173 1.00 33.54 H new ATOM 0 HB3 SER A 25 15.358 -25.092 -20.795 1.00 33.54 H new ATOM 0 HG SER A 25 13.103 -25.503 -21.152 1.00 71.24 H new ATOM 385 N ALA A 26 13.737 -21.462 -21.755 1.00 41.02 N ATOM 386 CA ALA A 26 12.685 -20.483 -21.997 1.00 41.44 C ATOM 387 C ALA A 26 11.361 -20.938 -21.392 1.00 44.23 C ATOM 388 O ALA A 26 10.572 -20.122 -20.917 1.00 43.20 O ATOM 389 CB ALA A 26 12.528 -20.235 -23.490 1.00 73.34 C ATOM 0 H ALA A 26 14.276 -21.716 -22.583 1.00 41.02 H new ATOM 0 HA ALA A 26 12.973 -19.550 -21.513 1.00 41.44 H new ATOM 0 HB1 ALA A 26 11.739 -19.502 -23.656 1.00 73.34 H new ATOM 0 HB2 ALA A 26 13.466 -19.857 -23.897 1.00 73.34 H new ATOM 0 HB3 ALA A 26 12.267 -21.168 -23.988 1.00 73.34 H new ATOM 395 N ALA A 27 11.125 -22.245 -21.414 1.00 73.30 N ATOM 396 CA ALA A 27 9.897 -22.809 -20.866 1.00 40.42 C ATOM 397 C ALA A 27 9.637 -22.291 -19.456 1.00 0.23 C ATOM 398 O ALA A 27 8.619 -21.649 -19.198 1.00 14.13 O ATOM 399 CB ALA A 27 9.967 -24.329 -20.868 1.00 50.50 C ATOM 0 H ALA A 27 11.768 -22.934 -21.805 1.00 73.30 H new ATOM 0 HA ALA A 27 9.068 -22.494 -21.499 1.00 40.42 H new ATOM 0 HB1 ALA A 27 9.044 -24.736 -20.456 1.00 50.50 H new ATOM 0 HB2 ALA A 27 10.097 -24.686 -21.890 1.00 50.50 H new ATOM 0 HB3 ALA A 27 10.810 -24.655 -20.260 1.00 50.50 H new ATOM 405 N ASP A 28 10.563 -22.574 -18.546 1.00 61.35 N ATOM 406 CA ASP A 28 10.434 -22.137 -17.161 1.00 40.44 C ATOM 407 C ASP A 28 10.316 -20.618 -17.080 1.00 51.12 C ATOM 408 O ASP A 28 9.623 -20.084 -16.213 1.00 55.24 O ATOM 409 CB ASP A 28 11.634 -22.612 -16.340 1.00 55.01 C ATOM 410 CG ASP A 28 11.520 -24.070 -15.941 1.00 25.13 C ATOM 411 OD1 ASP A 28 10.595 -24.750 -16.432 1.00 32.04 O ATOM 412 OD2 ASP A 28 12.358 -24.532 -15.138 1.00 42.41 O ATOM 0 H ASP A 28 11.412 -23.104 -18.743 1.00 61.35 H new ATOM 0 HA ASP A 28 9.525 -22.577 -16.750 1.00 40.44 H new ATOM 0 HB2 ASP A 28 12.547 -22.466 -16.918 1.00 55.01 H new ATOM 0 HB3 ASP A 28 11.723 -21.999 -15.443 1.00 55.01 H new ATOM 417 N LEU A 29 10.998 -19.927 -17.987 1.00 72.33 N ATOM 418 CA LEU A 29 10.971 -18.469 -18.018 1.00 75.12 C ATOM 419 C LEU A 29 9.563 -17.957 -18.308 1.00 44.23 C ATOM 420 O LEU A 29 8.964 -17.261 -17.488 1.00 61.14 O ATOM 421 CB LEU A 29 11.945 -17.943 -19.074 1.00 32.42 C ATOM 422 CG LEU A 29 12.504 -16.541 -18.832 1.00 54.31 C ATOM 423 CD1 LEU A 29 11.385 -15.511 -18.844 1.00 53.11 C ATOM 424 CD2 LEU A 29 13.264 -16.489 -17.515 1.00 62.31 C ATOM 0 H LEU A 29 11.577 -20.353 -18.711 1.00 72.33 H new ATOM 0 HA LEU A 29 11.276 -18.103 -17.038 1.00 75.12 H new ATOM 0 HB2 LEU A 29 12.781 -18.638 -19.146 1.00 32.42 H new ATOM 0 HB3 LEU A 29 11.440 -17.949 -20.040 1.00 32.42 H new ATOM 0 HG LEU A 29 13.198 -16.304 -19.638 1.00 54.31 H new ATOM 0 HD11 LEU A 29 11.802 -14.519 -18.670 1.00 53.11 H new ATOM 0 HD12 LEU A 29 10.884 -15.530 -19.812 1.00 53.11 H new ATOM 0 HD13 LEU A 29 10.666 -15.745 -18.059 1.00 53.11 H new ATOM 0 HD21 LEU A 29 13.655 -15.483 -17.360 1.00 62.31 H new ATOM 0 HD22 LEU A 29 12.592 -16.748 -16.697 1.00 62.31 H new ATOM 0 HD23 LEU A 29 14.091 -17.199 -17.544 1.00 62.31 H new ATOM 436 N ARG A 30 9.041 -18.307 -19.479 1.00 64.41 N ATOM 437 CA ARG A 30 7.704 -17.884 -19.877 1.00 2.00 C ATOM 438 C ARG A 30 6.661 -18.364 -18.873 1.00 34.13 C ATOM 439 O ARG A 30 5.621 -17.730 -18.691 1.00 33.02 O ATOM 440 CB ARG A 30 7.370 -18.419 -21.271 1.00 3.22 C ATOM 441 CG ARG A 30 6.066 -17.879 -21.834 1.00 12.01 C ATOM 442 CD ARG A 30 5.022 -18.976 -21.972 1.00 64.55 C ATOM 443 NE ARG A 30 3.684 -18.435 -22.191 1.00 51.31 N ATOM 444 CZ ARG A 30 2.568 -19.122 -21.973 1.00 63.03 C ATOM 445 NH1 ARG A 30 2.630 -20.371 -21.533 1.00 25.01 N ATOM 446 NH2 ARG A 30 1.387 -18.560 -22.196 1.00 1.23 N ATOM 0 H ARG A 30 9.524 -18.883 -20.169 1.00 64.41 H new ATOM 0 HA ARG A 30 7.687 -16.794 -19.900 1.00 2.00 H new ATOM 0 HB2 ARG A 30 8.182 -18.166 -21.952 1.00 3.22 H new ATOM 0 HB3 ARG A 30 7.315 -19.507 -21.230 1.00 3.22 H new ATOM 0 HG2 ARG A 30 5.685 -17.093 -21.182 1.00 12.01 H new ATOM 0 HG3 ARG A 30 6.249 -17.425 -22.808 1.00 12.01 H new ATOM 0 HD2 ARG A 30 5.290 -19.628 -22.803 1.00 64.55 H new ATOM 0 HD3 ARG A 30 5.021 -19.591 -21.072 1.00 64.55 H new ATOM 0 HE ARG A 30 3.601 -17.477 -22.530 1.00 51.31 H new ATOM 0 HH11 ARG A 30 3.536 -20.807 -21.361 1.00 25.01 H new ATOM 0 HH12 ARG A 30 1.772 -20.896 -21.366 1.00 25.01 H new ATOM 0 HH21 ARG A 30 1.335 -17.599 -22.535 1.00 1.23 H new ATOM 0 HH22 ARG A 30 0.531 -19.089 -22.028 1.00 1.23 H new ATOM 460 N HIS A 31 6.945 -19.489 -18.223 1.00 40.43 N ATOM 461 CA HIS A 31 6.031 -20.054 -17.237 1.00 61.12 C ATOM 462 C HIS A 31 5.929 -19.152 -16.011 1.00 10.00 C ATOM 463 O HIS A 31 4.872 -18.586 -15.730 1.00 23.41 O ATOM 464 CB HIS A 31 6.496 -21.450 -16.821 1.00 4.33 C ATOM 465 CG HIS A 31 5.971 -22.543 -17.699 1.00 62.11 C ATOM 466 ND1 HIS A 31 5.715 -23.818 -17.242 1.00 30.54 N ATOM 467 CD2 HIS A 31 5.652 -22.546 -19.015 1.00 2.25 C ATOM 468 CE1 HIS A 31 5.263 -24.559 -18.238 1.00 12.31 C ATOM 469 NE2 HIS A 31 5.215 -23.810 -19.325 1.00 12.11 N ATOM 0 H HIS A 31 7.801 -20.027 -18.362 1.00 40.43 H new ATOM 0 HA HIS A 31 5.044 -20.129 -17.694 1.00 61.12 H new ATOM 0 HB2 HIS A 31 7.586 -21.479 -16.831 1.00 4.33 H new ATOM 0 HB3 HIS A 31 6.182 -21.638 -15.794 1.00 4.33 H new ATOM 0 HD2 HIS A 31 5.727 -21.710 -19.694 1.00 2.25 H new ATOM 0 HE1 HIS A 31 4.981 -25.600 -18.174 1.00 12.31 H new ATOM 0 HE2 HIS A 31 4.904 -24.120 -20.245 1.00 12.11 H new ATOM 477 N VAL A 32 7.034 -19.023 -15.284 1.00 1.44 N ATOM 478 CA VAL A 32 7.069 -18.189 -14.088 1.00 21.32 C ATOM 479 C VAL A 32 6.603 -16.770 -14.393 1.00 31.30 C ATOM 480 O VAL A 32 5.914 -16.146 -13.587 1.00 3.42 O ATOM 481 CB VAL A 32 8.485 -18.134 -13.483 1.00 72.05 C ATOM 482 CG1 VAL A 32 8.469 -17.398 -12.152 1.00 40.15 C ATOM 483 CG2 VAL A 32 9.049 -19.537 -13.319 1.00 72.34 C ATOM 0 H VAL A 32 7.917 -19.485 -15.502 1.00 1.44 H new ATOM 0 HA VAL A 32 6.391 -18.643 -13.366 1.00 21.32 H new ATOM 0 HB VAL A 32 9.132 -17.585 -14.167 1.00 72.05 H new ATOM 0 HG11 VAL A 32 9.478 -17.369 -11.740 1.00 40.15 H new ATOM 0 HG12 VAL A 32 8.110 -16.380 -12.303 1.00 40.15 H new ATOM 0 HG13 VAL A 32 7.808 -17.916 -11.457 1.00 40.15 H new ATOM 0 HG21 VAL A 32 10.050 -19.479 -12.890 1.00 72.34 H new ATOM 0 HG22 VAL A 32 8.403 -20.114 -12.657 1.00 72.34 H new ATOM 0 HG23 VAL A 32 9.099 -20.025 -14.292 1.00 72.34 H new ATOM 493 N MET A 33 6.983 -16.267 -15.563 1.00 72.30 N ATOM 494 CA MET A 33 6.602 -14.922 -15.976 1.00 12.52 C ATOM 495 C MET A 33 5.095 -14.825 -16.192 1.00 32.31 C ATOM 496 O MET A 33 4.416 -14.017 -15.558 1.00 2.42 O ATOM 497 CB MET A 33 7.339 -14.531 -17.258 1.00 53.52 C ATOM 498 CG MET A 33 8.723 -13.952 -17.012 1.00 33.34 C ATOM 499 SD MET A 33 8.709 -12.155 -16.867 1.00 31.14 S ATOM 500 CE MET A 33 9.088 -11.677 -18.550 1.00 44.34 C ATOM 0 H MET A 33 7.554 -16.771 -16.241 1.00 72.30 H new ATOM 0 HA MET A 33 6.882 -14.232 -15.180 1.00 12.52 H new ATOM 0 HB2 MET A 33 7.430 -15.409 -17.897 1.00 53.52 H new ATOM 0 HB3 MET A 33 6.741 -13.801 -17.803 1.00 53.52 H new ATOM 0 HG2 MET A 33 9.136 -14.383 -16.100 1.00 33.34 H new ATOM 0 HG3 MET A 33 9.384 -14.241 -17.829 1.00 33.34 H new ATOM 0 HE1 MET A 33 9.478 -10.659 -18.560 1.00 44.34 H new ATOM 0 HE2 MET A 33 9.835 -12.356 -18.962 1.00 44.34 H new ATOM 0 HE3 MET A 33 8.182 -11.725 -19.154 1.00 44.34 H new ATOM 510 N THR A 34 4.576 -15.655 -17.092 1.00 22.44 N ATOM 511 CA THR A 34 3.150 -15.663 -17.392 1.00 41.42 C ATOM 512 C THR A 34 2.327 -15.969 -16.146 1.00 61.02 C ATOM 513 O THR A 34 1.139 -15.657 -16.084 1.00 32.12 O ATOM 514 CB THR A 34 2.811 -16.695 -18.484 1.00 64.00 C ATOM 515 OG1 THR A 34 3.561 -16.416 -19.672 1.00 11.12 O ATOM 516 CG2 THR A 34 1.324 -16.679 -18.802 1.00 13.45 C ATOM 0 H THR A 34 5.123 -16.331 -17.626 1.00 22.44 H new ATOM 0 HA THR A 34 2.898 -14.666 -17.754 1.00 41.42 H new ATOM 0 HB THR A 34 3.076 -17.685 -18.111 1.00 64.00 H new ATOM 0 HG1 THR A 34 4.513 -16.579 -19.504 1.00 11.12 H new ATOM 0 HG21 THR A 34 1.109 -17.416 -19.576 1.00 13.45 H new ATOM 0 HG22 THR A 34 0.757 -16.921 -17.903 1.00 13.45 H new ATOM 0 HG23 THR A 34 1.038 -15.688 -19.155 1.00 13.45 H new ATOM 524 N ASN A 35 2.967 -16.581 -15.155 1.00 65.35 N ATOM 525 CA ASN A 35 2.294 -16.930 -13.910 1.00 14.31 C ATOM 526 C ASN A 35 3.072 -16.408 -12.706 1.00 21.31 C ATOM 527 O ASN A 35 3.943 -17.096 -12.171 1.00 12.35 O ATOM 528 CB ASN A 35 2.125 -18.447 -13.804 1.00 52.32 C ATOM 529 CG ASN A 35 1.255 -19.010 -14.911 1.00 61.24 C ATOM 530 OD1 ASN A 35 0.464 -18.291 -15.522 1.00 3.21 O ATOM 531 ND2 ASN A 35 1.398 -20.304 -15.175 1.00 52.12 N ATOM 0 H ASN A 35 3.951 -16.845 -15.190 1.00 65.35 H new ATOM 0 HA ASN A 35 1.310 -16.462 -13.915 1.00 14.31 H new ATOM 0 HB2 ASN A 35 3.105 -18.922 -13.839 1.00 52.32 H new ATOM 0 HB3 ASN A 35 1.685 -18.694 -12.838 1.00 52.32 H new ATOM 0 HD21 ASN A 35 0.840 -20.739 -15.909 1.00 52.12 H new ATOM 0 HD22 ASN A 35 2.066 -20.862 -14.643 1.00 52.12 H new ATOM 538 N LEU A 36 2.753 -15.190 -12.285 1.00 14.35 N ATOM 539 CA LEU A 36 3.421 -14.575 -11.143 1.00 21.22 C ATOM 540 C LEU A 36 2.652 -13.352 -10.655 1.00 51.41 C ATOM 541 O LEU A 36 2.127 -13.339 -9.543 1.00 13.43 O ATOM 542 CB LEU A 36 4.850 -14.178 -11.517 1.00 1.33 C ATOM 543 CG LEU A 36 5.967 -14.970 -10.837 1.00 20.23 C ATOM 544 CD1 LEU A 36 7.329 -14.434 -11.249 1.00 2.15 C ATOM 545 CD2 LEU A 36 5.809 -14.924 -9.324 1.00 32.11 C ATOM 0 H LEU A 36 2.036 -14.608 -12.717 1.00 14.35 H new ATOM 0 HA LEU A 36 3.453 -15.306 -10.335 1.00 21.22 H new ATOM 0 HB2 LEU A 36 4.964 -14.282 -12.596 1.00 1.33 H new ATOM 0 HB3 LEU A 36 4.986 -13.122 -11.282 1.00 1.33 H new ATOM 0 HG LEU A 36 5.896 -16.009 -11.158 1.00 20.23 H new ATOM 0 HD11 LEU A 36 8.111 -15.010 -10.755 1.00 2.15 H new ATOM 0 HD12 LEU A 36 7.442 -14.520 -12.330 1.00 2.15 H new ATOM 0 HD13 LEU A 36 7.411 -13.387 -10.958 1.00 2.15 H new ATOM 0 HD21 LEU A 36 6.613 -15.493 -8.857 1.00 32.11 H new ATOM 0 HD22 LEU A 36 5.853 -13.889 -8.985 1.00 32.11 H new ATOM 0 HD23 LEU A 36 4.848 -15.357 -9.045 1.00 32.11 H new ATOM 557 N GLY A 37 2.588 -12.325 -11.497 1.00 40.42 N ATOM 558 CA GLY A 37 1.879 -11.111 -11.135 1.00 21.21 C ATOM 559 C GLY A 37 0.635 -10.894 -11.974 1.00 22.25 C ATOM 560 O GLY A 37 -0.394 -11.528 -11.743 1.00 61.25 O ATOM 0 H GLY A 37 3.014 -12.312 -12.423 1.00 40.42 H new ATOM 0 HA2 GLY A 37 1.600 -11.157 -10.082 1.00 21.21 H new ATOM 0 HA3 GLY A 37 2.545 -10.256 -11.251 1.00 21.21 H new ATOM 564 N GLU A 38 0.730 -9.994 -12.948 1.00 35.44 N ATOM 565 CA GLU A 38 -0.399 -9.694 -13.821 1.00 62.22 C ATOM 566 C GLU A 38 -0.438 -10.652 -15.008 1.00 61.51 C ATOM 567 O GLU A 38 0.555 -11.307 -15.326 1.00 5.30 O ATOM 568 CB GLU A 38 -0.316 -8.250 -14.320 1.00 71.10 C ATOM 569 CG GLU A 38 0.807 -8.014 -15.316 1.00 55.33 C ATOM 570 CD GLU A 38 1.212 -6.555 -15.403 1.00 71.12 C ATOM 571 OE1 GLU A 38 0.319 -5.700 -15.577 1.00 51.10 O ATOM 572 OE2 GLU A 38 2.423 -6.269 -15.297 1.00 21.32 O ATOM 0 H GLU A 38 1.575 -9.461 -13.152 1.00 35.44 H new ATOM 0 HA GLU A 38 -1.315 -9.820 -13.244 1.00 62.22 H new ATOM 0 HB2 GLU A 38 -1.265 -7.980 -14.784 1.00 71.10 H new ATOM 0 HB3 GLU A 38 -0.178 -7.587 -13.466 1.00 71.10 H new ATOM 0 HG2 GLU A 38 1.673 -8.611 -15.030 1.00 55.33 H new ATOM 0 HG3 GLU A 38 0.493 -8.359 -16.301 1.00 55.33 H new ATOM 579 N LYS A 39 -1.593 -10.731 -15.660 1.00 51.50 N ATOM 580 CA LYS A 39 -1.764 -11.607 -16.812 1.00 71.34 C ATOM 581 C LYS A 39 -1.403 -10.883 -18.105 1.00 63.24 C ATOM 582 O LYS A 39 -1.927 -9.806 -18.393 1.00 70.44 O ATOM 583 CB LYS A 39 -3.207 -12.113 -16.885 1.00 3.02 C ATOM 584 CG LYS A 39 -3.416 -13.210 -17.915 1.00 2.35 C ATOM 585 CD LYS A 39 -4.842 -13.217 -18.439 1.00 62.43 C ATOM 586 CE LYS A 39 -5.795 -13.878 -17.455 1.00 4.24 C ATOM 587 NZ LYS A 39 -6.917 -14.569 -18.147 1.00 52.35 N ATOM 0 H LYS A 39 -2.426 -10.198 -15.409 1.00 51.50 H new ATOM 0 HA LYS A 39 -1.093 -12.457 -16.692 1.00 71.34 H new ATOM 0 HB2 LYS A 39 -3.502 -12.486 -15.904 1.00 3.02 H new ATOM 0 HB3 LYS A 39 -3.865 -11.276 -17.119 1.00 3.02 H new ATOM 0 HG2 LYS A 39 -2.723 -13.069 -18.744 1.00 2.35 H new ATOM 0 HG3 LYS A 39 -3.186 -14.178 -17.469 1.00 2.35 H new ATOM 0 HD2 LYS A 39 -5.166 -12.194 -18.629 1.00 62.43 H new ATOM 0 HD3 LYS A 39 -4.878 -13.745 -19.392 1.00 62.43 H new ATOM 0 HE2 LYS A 39 -5.247 -14.597 -16.846 1.00 4.24 H new ATOM 0 HE3 LYS A 39 -6.196 -13.125 -16.776 1.00 4.24 H new ATOM 0 HZ1 LYS A 39 -7.543 -15.006 -17.441 1.00 52.35 H new ATOM 0 HZ2 LYS A 39 -7.456 -13.879 -18.708 1.00 52.35 H new ATOM 0 HZ3 LYS A 39 -6.537 -15.305 -18.776 1.00 52.35 H new ATOM 601 N LEU A 40 -0.506 -11.481 -18.882 1.00 5.23 N ATOM 602 CA LEU A 40 -0.075 -10.893 -20.146 1.00 31.33 C ATOM 603 C LEU A 40 -0.266 -11.877 -21.296 1.00 43.41 C ATOM 604 O LEU A 40 -0.668 -13.022 -21.089 1.00 1.03 O ATOM 605 CB LEU A 40 1.392 -10.469 -20.060 1.00 61.02 C ATOM 606 CG LEU A 40 1.717 -9.378 -19.039 1.00 30.30 C ATOM 607 CD1 LEU A 40 3.072 -9.634 -18.397 1.00 73.31 C ATOM 608 CD2 LEU A 40 1.687 -8.006 -19.696 1.00 70.24 C ATOM 0 H LEU A 40 -0.063 -12.372 -18.659 1.00 5.23 H new ATOM 0 HA LEU A 40 -0.690 -10.014 -20.338 1.00 31.33 H new ATOM 0 HB2 LEU A 40 1.990 -11.349 -19.824 1.00 61.02 H new ATOM 0 HB3 LEU A 40 1.708 -10.123 -21.044 1.00 61.02 H new ATOM 0 HG LEU A 40 0.957 -9.401 -18.258 1.00 30.30 H new ATOM 0 HD11 LEU A 40 3.286 -8.847 -17.673 1.00 73.31 H new ATOM 0 HD12 LEU A 40 3.058 -10.599 -17.891 1.00 73.31 H new ATOM 0 HD13 LEU A 40 3.844 -9.639 -19.166 1.00 73.31 H new ATOM 0 HD21 LEU A 40 1.921 -7.242 -18.954 1.00 70.24 H new ATOM 0 HD22 LEU A 40 2.424 -7.970 -20.498 1.00 70.24 H new ATOM 0 HD23 LEU A 40 0.695 -7.821 -20.107 1.00 70.24 H new ATOM 620 N THR A 41 0.028 -11.423 -22.511 1.00 12.33 N ATOM 621 CA THR A 41 -0.110 -12.262 -23.694 1.00 50.02 C ATOM 622 C THR A 41 1.179 -13.023 -23.982 1.00 1.02 C ATOM 623 O THR A 41 2.274 -12.542 -23.688 1.00 73.11 O ATOM 624 CB THR A 41 -0.488 -11.428 -24.933 1.00 61.42 C ATOM 625 OG1 THR A 41 0.614 -10.601 -25.322 1.00 3.13 O ATOM 626 CG2 THR A 41 -1.705 -10.561 -24.651 1.00 12.21 C ATOM 0 H THR A 41 0.363 -10.479 -22.701 1.00 12.33 H new ATOM 0 HA THR A 41 -0.910 -12.973 -23.486 1.00 50.02 H new ATOM 0 HB THR A 41 -0.731 -12.114 -25.745 1.00 61.42 H new ATOM 0 HG1 THR A 41 0.366 -10.075 -26.111 1.00 3.13 H new ATOM 0 HG21 THR A 41 -1.953 -9.981 -25.540 1.00 12.21 H new ATOM 0 HG22 THR A 41 -2.550 -11.196 -24.384 1.00 12.21 H new ATOM 0 HG23 THR A 41 -1.486 -9.883 -23.826 1.00 12.21 H new ATOM 634 N ASP A 42 1.043 -14.212 -24.558 1.00 34.10 N ATOM 635 CA ASP A 42 2.198 -15.039 -24.887 1.00 74.42 C ATOM 636 C ASP A 42 3.163 -14.287 -25.797 1.00 42.14 C ATOM 637 O ASP A 42 4.374 -14.502 -25.746 1.00 74.24 O ATOM 638 CB ASP A 42 1.747 -16.336 -25.561 1.00 62.24 C ATOM 639 CG ASP A 42 2.818 -17.409 -25.526 1.00 72.10 C ATOM 640 OD1 ASP A 42 3.872 -17.174 -24.900 1.00 21.23 O ATOM 641 OD2 ASP A 42 2.602 -18.483 -26.125 1.00 73.54 O ATOM 0 H ASP A 42 0.144 -14.625 -24.807 1.00 34.10 H new ATOM 0 HA ASP A 42 2.717 -15.282 -23.960 1.00 74.42 H new ATOM 0 HB2 ASP A 42 0.849 -16.706 -25.066 1.00 62.24 H new ATOM 0 HB3 ASP A 42 1.477 -16.129 -26.597 1.00 62.24 H new ATOM 646 N GLU A 43 2.618 -13.405 -26.630 1.00 25.03 N ATOM 647 CA GLU A 43 3.433 -12.623 -27.553 1.00 15.35 C ATOM 648 C GLU A 43 4.315 -11.634 -26.796 1.00 21.23 C ATOM 649 O GLU A 43 5.450 -11.371 -27.191 1.00 61.54 O ATOM 650 CB GLU A 43 2.541 -11.872 -28.544 1.00 13.25 C ATOM 651 CG GLU A 43 3.286 -11.357 -29.763 1.00 52.44 C ATOM 652 CD GLU A 43 2.517 -11.576 -31.052 1.00 41.31 C ATOM 653 OE1 GLU A 43 1.365 -11.102 -31.142 1.00 72.45 O ATOM 654 OE2 GLU A 43 3.067 -12.220 -31.969 1.00 60.04 O ATOM 0 H GLU A 43 1.617 -13.214 -26.685 1.00 25.03 H new ATOM 0 HA GLU A 43 4.076 -13.311 -28.102 1.00 15.35 H new ATOM 0 HB2 GLU A 43 1.739 -12.533 -28.871 1.00 13.25 H new ATOM 0 HB3 GLU A 43 2.072 -11.031 -28.033 1.00 13.25 H new ATOM 0 HG2 GLU A 43 3.485 -10.293 -29.640 1.00 52.44 H new ATOM 0 HG3 GLU A 43 4.252 -11.856 -29.831 1.00 52.44 H new ATOM 661 N GLU A 44 3.784 -11.090 -25.705 1.00 54.24 N ATOM 662 CA GLU A 44 4.522 -10.129 -24.894 1.00 64.42 C ATOM 663 C GLU A 44 5.699 -10.802 -24.192 1.00 12.51 C ATOM 664 O GLU A 44 6.791 -10.239 -24.109 1.00 14.21 O ATOM 665 CB GLU A 44 3.598 -9.484 -23.860 1.00 11.01 C ATOM 666 CG GLU A 44 3.404 -7.991 -24.064 1.00 41.14 C ATOM 667 CD GLU A 44 2.456 -7.677 -25.205 1.00 53.41 C ATOM 668 OE1 GLU A 44 2.420 -8.458 -26.179 1.00 30.34 O ATOM 669 OE2 GLU A 44 1.750 -6.650 -25.125 1.00 11.31 O ATOM 0 H GLU A 44 2.846 -11.299 -25.363 1.00 54.24 H new ATOM 0 HA GLU A 44 4.910 -9.355 -25.556 1.00 64.42 H new ATOM 0 HB2 GLU A 44 2.626 -9.976 -23.896 1.00 11.01 H new ATOM 0 HB3 GLU A 44 4.005 -9.656 -22.864 1.00 11.01 H new ATOM 0 HG2 GLU A 44 3.019 -7.549 -23.145 1.00 41.14 H new ATOM 0 HG3 GLU A 44 4.370 -7.526 -24.261 1.00 41.14 H new ATOM 676 N VAL A 45 5.467 -12.009 -23.687 1.00 64.20 N ATOM 677 CA VAL A 45 6.507 -12.759 -22.992 1.00 72.21 C ATOM 678 C VAL A 45 7.660 -13.098 -23.930 1.00 21.12 C ATOM 679 O VAL A 45 8.818 -13.147 -23.514 1.00 71.20 O ATOM 680 CB VAL A 45 5.950 -14.063 -22.389 1.00 3.42 C ATOM 681 CG1 VAL A 45 7.045 -14.820 -21.652 1.00 75.02 C ATOM 682 CG2 VAL A 45 4.781 -13.764 -21.463 1.00 2.34 C ATOM 0 H VAL A 45 4.569 -12.489 -23.746 1.00 64.20 H new ATOM 0 HA VAL A 45 6.873 -12.122 -22.187 1.00 72.21 H new ATOM 0 HB VAL A 45 5.588 -14.694 -23.201 1.00 3.42 H new ATOM 0 HG11 VAL A 45 6.634 -15.738 -21.233 1.00 75.02 H new ATOM 0 HG12 VAL A 45 7.848 -15.066 -22.347 1.00 75.02 H new ATOM 0 HG13 VAL A 45 7.439 -14.199 -20.848 1.00 75.02 H new ATOM 0 HG21 VAL A 45 4.400 -14.696 -21.046 1.00 2.34 H new ATOM 0 HG22 VAL A 45 5.115 -13.114 -20.654 1.00 2.34 H new ATOM 0 HG23 VAL A 45 3.990 -13.267 -22.025 1.00 2.34 H new ATOM 692 N ASP A 46 7.336 -13.331 -25.197 1.00 1.40 N ATOM 693 CA ASP A 46 8.345 -13.664 -26.196 1.00 4.55 C ATOM 694 C ASP A 46 9.466 -12.628 -26.202 1.00 32.32 C ATOM 695 O ASP A 46 10.617 -12.945 -25.906 1.00 4.03 O ATOM 696 CB ASP A 46 7.710 -13.754 -27.584 1.00 12.23 C ATOM 697 CG ASP A 46 7.983 -15.083 -28.260 1.00 43.44 C ATOM 698 OD1 ASP A 46 7.820 -16.130 -27.600 1.00 34.01 O ATOM 699 OD2 ASP A 46 8.360 -15.075 -29.451 1.00 21.22 O ATOM 0 H ASP A 46 6.382 -13.295 -25.557 1.00 1.40 H new ATOM 0 HA ASP A 46 8.771 -14.633 -25.937 1.00 4.55 H new ATOM 0 HB2 ASP A 46 6.633 -13.608 -27.498 1.00 12.23 H new ATOM 0 HB3 ASP A 46 8.092 -12.947 -28.208 1.00 12.23 H new ATOM 704 N GLU A 47 9.119 -11.391 -26.542 1.00 45.23 N ATOM 705 CA GLU A 47 10.097 -10.310 -26.589 1.00 23.02 C ATOM 706 C GLU A 47 10.727 -10.086 -25.217 1.00 34.32 C ATOM 707 O GLU A 47 11.897 -9.720 -25.111 1.00 72.15 O ATOM 708 CB GLU A 47 9.439 -9.018 -27.077 1.00 43.21 C ATOM 709 CG GLU A 47 10.200 -8.334 -28.200 1.00 44.04 C ATOM 710 CD GLU A 47 9.667 -6.948 -28.507 1.00 42.01 C ATOM 711 OE1 GLU A 47 9.677 -6.094 -27.596 1.00 23.02 O ATOM 712 OE2 GLU A 47 9.240 -6.717 -29.657 1.00 73.24 O ATOM 0 H GLU A 47 8.169 -11.112 -26.789 1.00 45.23 H new ATOM 0 HA GLU A 47 10.883 -10.596 -27.288 1.00 23.02 H new ATOM 0 HB2 GLU A 47 8.428 -9.241 -27.418 1.00 43.21 H new ATOM 0 HB3 GLU A 47 9.347 -8.328 -26.238 1.00 43.21 H new ATOM 0 HG2 GLU A 47 11.253 -8.262 -27.929 1.00 44.04 H new ATOM 0 HG3 GLU A 47 10.143 -8.948 -29.099 1.00 44.04 H new ATOM 719 N MET A 48 9.941 -10.309 -24.168 1.00 53.35 N ATOM 720 CA MET A 48 10.421 -10.132 -22.803 1.00 33.12 C ATOM 721 C MET A 48 11.657 -10.988 -22.546 1.00 33.40 C ATOM 722 O MET A 48 12.605 -10.547 -21.896 1.00 51.22 O ATOM 723 CB MET A 48 9.320 -10.491 -21.802 1.00 44.12 C ATOM 724 CG MET A 48 8.598 -9.280 -21.233 1.00 25.51 C ATOM 725 SD MET A 48 6.879 -9.629 -20.817 1.00 71.35 S ATOM 726 CE MET A 48 6.896 -9.355 -19.048 1.00 31.45 C ATOM 0 H MET A 48 8.970 -10.612 -24.238 1.00 53.35 H new ATOM 0 HA MET A 48 10.693 -9.085 -22.673 1.00 33.12 H new ATOM 0 HB2 MET A 48 8.594 -11.140 -22.291 1.00 44.12 H new ATOM 0 HB3 MET A 48 9.757 -11.061 -20.982 1.00 44.12 H new ATOM 0 HG2 MET A 48 9.121 -8.936 -20.341 1.00 25.51 H new ATOM 0 HG3 MET A 48 8.635 -8.466 -21.957 1.00 25.51 H new ATOM 0 HE1 MET A 48 6.520 -10.243 -18.539 1.00 31.45 H new ATOM 0 HE2 MET A 48 7.916 -9.153 -18.721 1.00 31.45 H new ATOM 0 HE3 MET A 48 6.262 -8.502 -18.806 1.00 31.45 H new ATOM 736 N ILE A 49 11.639 -12.214 -23.059 1.00 50.13 N ATOM 737 CA ILE A 49 12.759 -13.131 -22.886 1.00 12.45 C ATOM 738 C ILE A 49 13.977 -12.666 -23.676 1.00 63.11 C ATOM 739 O ILE A 49 15.114 -12.992 -23.333 1.00 33.10 O ATOM 740 CB ILE A 49 12.390 -14.560 -23.325 1.00 51.32 C ATOM 741 CG1 ILE A 49 11.194 -15.072 -22.520 1.00 11.21 C ATOM 742 CG2 ILE A 49 13.583 -15.489 -23.161 1.00 21.13 C ATOM 743 CD1 ILE A 49 10.473 -16.228 -23.177 1.00 40.45 C ATOM 0 H ILE A 49 10.861 -12.595 -23.598 1.00 50.13 H new ATOM 0 HA ILE A 49 13.000 -13.138 -21.823 1.00 12.45 H new ATOM 0 HB ILE A 49 12.112 -14.540 -24.379 1.00 51.32 H new ATOM 0 HG12 ILE A 49 11.537 -15.382 -21.533 1.00 11.21 H new ATOM 0 HG13 ILE A 49 10.490 -14.253 -22.370 1.00 11.21 H new ATOM 0 HG21 ILE A 49 13.306 -16.495 -23.475 1.00 21.13 H new ATOM 0 HG22 ILE A 49 14.410 -15.131 -23.775 1.00 21.13 H new ATOM 0 HG23 ILE A 49 13.889 -15.507 -22.115 1.00 21.13 H new ATOM 0 HD11 ILE A 49 9.637 -16.539 -22.550 1.00 40.45 H new ATOM 0 HD12 ILE A 49 10.099 -15.917 -24.152 1.00 40.45 H new ATOM 0 HD13 ILE A 49 11.162 -17.063 -23.302 1.00 40.45 H new ATOM 755 N ARG A 50 13.732 -11.901 -24.735 1.00 63.42 N ATOM 756 CA ARG A 50 14.810 -11.391 -25.575 1.00 35.04 C ATOM 757 C ARG A 50 15.793 -10.563 -24.753 1.00 50.40 C ATOM 758 O ARG A 50 17.002 -10.615 -24.978 1.00 14.22 O ATOM 759 CB ARG A 50 14.239 -10.544 -26.714 1.00 5.35 C ATOM 760 CG ARG A 50 14.888 -10.818 -28.060 1.00 70.35 C ATOM 761 CD ARG A 50 14.245 -12.007 -28.756 1.00 75.45 C ATOM 762 NE ARG A 50 15.215 -12.783 -29.525 1.00 12.32 N ATOM 763 CZ ARG A 50 15.720 -12.383 -30.686 1.00 65.13 C ATOM 764 NH1 ARG A 50 15.350 -11.223 -31.210 1.00 50.14 N ATOM 765 NH2 ARG A 50 16.599 -13.144 -31.326 1.00 21.41 N ATOM 0 H ARG A 50 12.797 -11.621 -25.032 1.00 63.42 H new ATOM 0 HA ARG A 50 15.344 -12.243 -25.997 1.00 35.04 H new ATOM 0 HB2 ARG A 50 13.168 -10.730 -26.792 1.00 5.35 H new ATOM 0 HB3 ARG A 50 14.363 -9.489 -26.468 1.00 5.35 H new ATOM 0 HG2 ARG A 50 14.803 -9.935 -28.693 1.00 70.35 H new ATOM 0 HG3 ARG A 50 15.952 -11.008 -27.920 1.00 70.35 H new ATOM 0 HD2 ARG A 50 13.774 -12.650 -28.013 1.00 75.45 H new ATOM 0 HD3 ARG A 50 13.455 -11.655 -29.419 1.00 75.45 H new ATOM 0 HE ARG A 50 15.521 -13.681 -29.150 1.00 12.32 H new ATOM 0 HH11 ARG A 50 14.675 -10.635 -30.721 1.00 50.14 H new ATOM 0 HH12 ARG A 50 15.740 -10.919 -32.102 1.00 50.14 H new ATOM 0 HH21 ARG A 50 16.887 -14.037 -30.926 1.00 21.41 H new ATOM 0 HH22 ARG A 50 16.986 -12.836 -32.218 1.00 21.41 H new ATOM 779 N GLU A 51 15.265 -9.799 -23.801 1.00 62.13 N ATOM 780 CA GLU A 51 16.097 -8.959 -22.948 1.00 1.11 C ATOM 781 C GLU A 51 16.777 -9.790 -21.863 1.00 52.41 C ATOM 782 O GLU A 51 17.945 -9.575 -21.543 1.00 45.10 O ATOM 783 CB GLU A 51 15.256 -7.853 -22.307 1.00 33.32 C ATOM 784 CG GLU A 51 14.658 -6.883 -23.312 1.00 34.41 C ATOM 785 CD GLU A 51 15.237 -5.487 -23.191 1.00 73.20 C ATOM 786 OE1 GLU A 51 16.454 -5.369 -22.937 1.00 55.23 O ATOM 787 OE2 GLU A 51 14.472 -4.513 -23.351 1.00 1.43 O ATOM 0 H GLU A 51 14.266 -9.745 -23.602 1.00 62.13 H new ATOM 0 HA GLU A 51 16.868 -8.505 -23.570 1.00 1.11 H new ATOM 0 HB2 GLU A 51 14.451 -8.308 -21.731 1.00 33.32 H new ATOM 0 HB3 GLU A 51 15.877 -7.298 -21.604 1.00 33.32 H new ATOM 0 HG2 GLU A 51 14.831 -7.258 -24.321 1.00 34.41 H new ATOM 0 HG3 GLU A 51 13.578 -6.838 -23.170 1.00 34.41 H new ATOM 794 N ALA A 52 16.035 -10.739 -21.301 1.00 43.41 N ATOM 795 CA ALA A 52 16.566 -11.603 -20.254 1.00 13.52 C ATOM 796 C ALA A 52 17.162 -12.876 -20.843 1.00 22.44 C ATOM 797 O ALA A 52 16.739 -13.983 -20.508 1.00 63.34 O ATOM 798 CB ALA A 52 15.476 -11.944 -19.249 1.00 14.55 C ATOM 0 H ALA A 52 15.065 -10.929 -21.553 1.00 43.41 H new ATOM 0 HA ALA A 52 17.363 -11.064 -19.741 1.00 13.52 H new ATOM 0 HB1 ALA A 52 15.886 -12.590 -18.473 1.00 14.55 H new ATOM 0 HB2 ALA A 52 15.099 -11.027 -18.796 1.00 14.55 H new ATOM 0 HB3 ALA A 52 14.661 -12.460 -19.757 1.00 14.55 H new ATOM 804 N ASP A 53 18.146 -12.713 -21.721 1.00 15.44 N ATOM 805 CA ASP A 53 18.801 -13.850 -22.356 1.00 74.01 C ATOM 806 C ASP A 53 19.919 -13.385 -23.283 1.00 41.32 C ATOM 807 O ASP A 53 19.662 -12.884 -24.378 1.00 45.24 O ATOM 808 CB ASP A 53 17.783 -14.679 -23.141 1.00 14.02 C ATOM 809 CG ASP A 53 18.442 -15.640 -24.110 1.00 44.45 C ATOM 810 OD1 ASP A 53 19.436 -16.288 -23.720 1.00 14.53 O ATOM 811 OD2 ASP A 53 17.966 -15.743 -25.261 1.00 2.34 O ATOM 0 H ASP A 53 18.507 -11.804 -22.009 1.00 15.44 H new ATOM 0 HA ASP A 53 19.237 -14.470 -21.573 1.00 74.01 H new ATOM 0 HB2 ASP A 53 17.161 -15.240 -22.444 1.00 14.02 H new ATOM 0 HB3 ASP A 53 17.121 -14.010 -23.691 1.00 14.02 H new ATOM 816 N ILE A 54 21.159 -13.553 -22.836 1.00 41.44 N ATOM 817 CA ILE A 54 22.316 -13.150 -23.626 1.00 41.31 C ATOM 818 C ILE A 54 22.351 -13.882 -24.963 1.00 51.24 C ATOM 819 O ILE A 54 21.682 -14.900 -25.143 1.00 3.11 O ATOM 820 CB ILE A 54 23.633 -13.417 -22.873 1.00 34.11 C ATOM 821 CG1 ILE A 54 23.693 -14.874 -22.409 1.00 1.23 C ATOM 822 CG2 ILE A 54 23.766 -12.472 -21.688 1.00 44.03 C ATOM 823 CD1 ILE A 54 25.028 -15.263 -21.813 1.00 61.33 C ATOM 0 H ILE A 54 21.388 -13.965 -21.932 1.00 41.44 H new ATOM 0 HA ILE A 54 22.219 -12.079 -23.803 1.00 41.31 H new ATOM 0 HB ILE A 54 24.466 -13.237 -23.552 1.00 34.11 H new ATOM 0 HG12 ILE A 54 22.911 -15.044 -21.669 1.00 1.23 H new ATOM 0 HG13 ILE A 54 23.478 -15.526 -23.256 1.00 1.23 H new ATOM 0 HG21 ILE A 54 24.701 -12.673 -21.166 1.00 44.03 H new ATOM 0 HG22 ILE A 54 23.762 -11.441 -22.042 1.00 44.03 H new ATOM 0 HG23 ILE A 54 22.930 -12.624 -21.006 1.00 44.03 H new ATOM 0 HD11 ILE A 54 24.999 -16.308 -21.506 1.00 61.33 H new ATOM 0 HD12 ILE A 54 25.813 -15.125 -22.557 1.00 61.33 H new ATOM 0 HD13 ILE A 54 25.236 -14.636 -20.946 1.00 61.33 H new ATOM 835 N ASP A 55 23.136 -13.358 -25.898 1.00 52.42 N ATOM 836 CA ASP A 55 23.261 -13.963 -27.219 1.00 53.31 C ATOM 837 C ASP A 55 23.897 -15.346 -27.125 1.00 44.22 C ATOM 838 O ASP A 55 25.025 -15.491 -26.655 1.00 11.22 O ATOM 839 CB ASP A 55 24.092 -13.066 -28.138 1.00 24.13 C ATOM 840 CG ASP A 55 23.239 -12.087 -28.919 1.00 15.21 C ATOM 841 OD1 ASP A 55 22.806 -11.075 -28.329 1.00 31.35 O ATOM 842 OD2 ASP A 55 23.002 -12.332 -30.121 1.00 21.55 O ATOM 0 H ASP A 55 23.695 -12.515 -25.766 1.00 52.42 H new ATOM 0 HA ASP A 55 22.261 -14.071 -27.638 1.00 53.31 H new ATOM 0 HB2 ASP A 55 24.819 -12.514 -27.542 1.00 24.13 H new ATOM 0 HB3 ASP A 55 24.656 -13.687 -28.834 1.00 24.13 H new ATOM 847 N GLY A 56 23.166 -16.361 -27.576 1.00 14.44 N ATOM 848 CA GLY A 56 23.675 -17.719 -27.532 1.00 53.13 C ATOM 849 C GLY A 56 22.704 -18.721 -28.125 1.00 43.04 C ATOM 850 O GLY A 56 22.595 -18.842 -29.346 1.00 30.13 O ATOM 0 H GLY A 56 22.230 -16.267 -27.971 1.00 14.44 H new ATOM 0 HA2 GLY A 56 24.619 -17.768 -28.074 1.00 53.13 H new ATOM 0 HA3 GLY A 56 23.887 -17.991 -26.498 1.00 53.13 H new ATOM 854 N ASP A 57 21.999 -19.442 -27.261 1.00 22.21 N ATOM 855 CA ASP A 57 21.033 -20.440 -27.706 1.00 42.22 C ATOM 856 C ASP A 57 19.634 -20.106 -27.198 1.00 70.11 C ATOM 857 O ASP A 57 18.641 -20.338 -27.886 1.00 50.34 O ATOM 858 CB ASP A 57 21.446 -21.831 -27.224 1.00 31.31 C ATOM 859 CG ASP A 57 22.844 -22.208 -27.672 1.00 25.03 C ATOM 860 OD1 ASP A 57 23.177 -21.961 -28.850 1.00 14.34 O ATOM 861 OD2 ASP A 57 23.607 -22.751 -26.844 1.00 74.14 O ATOM 0 H ASP A 57 22.078 -19.354 -26.248 1.00 22.21 H new ATOM 0 HA ASP A 57 21.016 -20.433 -28.796 1.00 42.22 H new ATOM 0 HB2 ASP A 57 21.395 -21.865 -26.136 1.00 31.31 H new ATOM 0 HB3 ASP A 57 20.736 -22.568 -27.600 1.00 31.31 H new ATOM 866 N GLY A 58 19.564 -19.561 -25.987 1.00 73.13 N ATOM 867 CA GLY A 58 18.282 -19.206 -25.407 1.00 51.41 C ATOM 868 C GLY A 58 18.149 -19.667 -23.969 1.00 55.52 C ATOM 869 O GLY A 58 17.257 -20.449 -23.642 1.00 54.14 O ATOM 0 H GLY A 58 20.372 -19.359 -25.398 1.00 73.13 H new ATOM 0 HA2 GLY A 58 18.153 -18.125 -25.452 1.00 51.41 H new ATOM 0 HA3 GLY A 58 17.483 -19.647 -26.002 1.00 51.41 H new ATOM 873 N GLN A 59 19.038 -19.182 -23.109 1.00 44.11 N ATOM 874 CA GLN A 59 19.017 -19.552 -21.699 1.00 12.52 C ATOM 875 C GLN A 59 19.030 -18.312 -20.811 1.00 2.42 C ATOM 876 O GLN A 59 19.798 -17.378 -21.043 1.00 11.53 O ATOM 877 CB GLN A 59 20.213 -20.445 -21.366 1.00 12.04 C ATOM 878 CG GLN A 59 21.536 -19.910 -21.889 1.00 22.13 C ATOM 879 CD GLN A 59 22.731 -20.647 -21.315 1.00 52.54 C ATOM 880 OE1 GLN A 59 22.581 -21.558 -20.501 1.00 74.02 O ATOM 881 NE2 GLN A 59 23.927 -20.255 -21.738 1.00 50.44 N ATOM 0 H GLN A 59 19.782 -18.532 -23.364 1.00 44.11 H new ATOM 0 HA GLN A 59 18.097 -20.104 -21.508 1.00 12.52 H new ATOM 0 HB2 GLN A 59 20.280 -20.560 -20.284 1.00 12.04 H new ATOM 0 HB3 GLN A 59 20.042 -21.438 -21.783 1.00 12.04 H new ATOM 0 HG2 GLN A 59 21.552 -19.990 -22.976 1.00 22.13 H new ATOM 0 HG3 GLN A 59 21.617 -18.850 -21.647 1.00 22.13 H new ATOM 0 HE21 GLN A 59 24.005 -19.495 -22.414 1.00 50.44 H new ATOM 0 HE22 GLN A 59 24.768 -20.714 -21.387 1.00 50.44 H new ATOM 890 N VAL A 60 18.175 -18.309 -19.793 1.00 22.40 N ATOM 891 CA VAL A 60 18.089 -17.185 -18.869 1.00 41.53 C ATOM 892 C VAL A 60 18.922 -17.437 -17.617 1.00 52.54 C ATOM 893 O VAL A 60 19.028 -18.569 -17.148 1.00 12.42 O ATOM 894 CB VAL A 60 16.631 -16.908 -18.456 1.00 4.10 C ATOM 895 CG1 VAL A 60 16.538 -15.616 -17.659 1.00 41.43 C ATOM 896 CG2 VAL A 60 15.732 -16.855 -19.681 1.00 54.44 C ATOM 0 H VAL A 60 17.532 -19.073 -19.588 1.00 22.40 H new ATOM 0 HA VAL A 60 18.482 -16.314 -19.393 1.00 41.53 H new ATOM 0 HB VAL A 60 16.290 -17.724 -17.819 1.00 4.10 H new ATOM 0 HG11 VAL A 60 15.501 -15.437 -17.376 1.00 41.43 H new ATOM 0 HG12 VAL A 60 17.150 -15.698 -16.761 1.00 41.43 H new ATOM 0 HG13 VAL A 60 16.896 -14.786 -18.268 1.00 41.43 H new ATOM 0 HG21 VAL A 60 14.706 -16.658 -19.371 1.00 54.44 H new ATOM 0 HG22 VAL A 60 16.069 -16.059 -20.345 1.00 54.44 H new ATOM 0 HG23 VAL A 60 15.776 -17.809 -20.206 1.00 54.44 H new ATOM 906 N ASN A 61 19.511 -16.373 -17.081 1.00 52.41 N ATOM 907 CA ASN A 61 20.335 -16.478 -15.882 1.00 71.34 C ATOM 908 C ASN A 61 19.557 -16.035 -14.647 1.00 4.01 C ATOM 909 O ASN A 61 18.709 -15.145 -14.720 1.00 64.34 O ATOM 910 CB ASN A 61 21.601 -15.633 -16.033 1.00 1.44 C ATOM 911 CG ASN A 61 22.135 -15.638 -17.452 1.00 52.21 C ATOM 912 OD1 ASN A 61 22.414 -16.695 -18.018 1.00 43.31 O ATOM 913 ND2 ASN A 61 22.279 -14.453 -18.034 1.00 51.12 N ATOM 0 H ASN A 61 19.433 -15.428 -17.458 1.00 52.41 H new ATOM 0 HA ASN A 61 20.617 -17.523 -15.755 1.00 71.34 H new ATOM 0 HB2 ASN A 61 21.388 -14.607 -15.732 1.00 1.44 H new ATOM 0 HB3 ASN A 61 22.369 -16.010 -15.358 1.00 1.44 H new ATOM 0 HD21 ASN A 61 22.634 -14.393 -18.989 1.00 51.12 H new ATOM 0 HD22 ASN A 61 22.035 -13.603 -17.527 1.00 51.12 H new ATOM 920 N TYR A 62 19.853 -16.661 -13.513 1.00 54.30 N ATOM 921 CA TYR A 62 19.180 -16.332 -12.261 1.00 65.45 C ATOM 922 C TYR A 62 19.269 -14.837 -11.971 1.00 71.25 C ATOM 923 O TYR A 62 18.285 -14.211 -11.579 1.00 31.30 O ATOM 924 CB TYR A 62 19.794 -17.125 -11.106 1.00 10.53 C ATOM 925 CG TYR A 62 19.358 -16.641 -9.741 1.00 53.22 C ATOM 926 CD1 TYR A 62 18.022 -16.365 -9.475 1.00 1.31 C ATOM 927 CD2 TYR A 62 20.281 -16.459 -8.719 1.00 14.12 C ATOM 928 CE1 TYR A 62 17.619 -15.922 -8.230 1.00 12.11 C ATOM 929 CE2 TYR A 62 19.886 -16.018 -7.471 1.00 1.15 C ATOM 930 CZ TYR A 62 18.554 -15.751 -7.231 1.00 44.40 C ATOM 931 OH TYR A 62 18.158 -15.310 -5.989 1.00 54.33 O ATOM 0 H TYR A 62 20.554 -17.398 -13.435 1.00 54.30 H new ATOM 0 HA TYR A 62 18.129 -16.602 -12.360 1.00 65.45 H new ATOM 0 HB2 TYR A 62 19.524 -18.176 -11.213 1.00 10.53 H new ATOM 0 HB3 TYR A 62 20.880 -17.067 -11.173 1.00 10.53 H new ATOM 0 HD1 TYR A 62 17.287 -16.499 -10.255 1.00 1.31 H new ATOM 0 HD2 TYR A 62 21.325 -16.666 -8.903 1.00 14.12 H new ATOM 0 HE1 TYR A 62 16.577 -15.711 -8.040 1.00 12.11 H new ATOM 0 HE2 TYR A 62 20.616 -15.883 -6.687 1.00 1.15 H new ATOM 0 HH TYR A 62 18.939 -15.244 -5.401 1.00 54.33 H new ATOM 941 N GLU A 63 20.456 -14.272 -12.169 1.00 11.12 N ATOM 942 CA GLU A 63 20.674 -12.850 -11.928 1.00 74.25 C ATOM 943 C GLU A 63 19.738 -12.004 -12.787 1.00 45.24 C ATOM 944 O GLU A 63 19.051 -11.115 -12.285 1.00 2.44 O ATOM 945 CB GLU A 63 22.129 -12.478 -12.220 1.00 53.13 C ATOM 946 CG GLU A 63 23.106 -12.966 -11.164 1.00 34.31 C ATOM 947 CD GLU A 63 24.240 -13.783 -11.751 1.00 60.24 C ATOM 948 OE1 GLU A 63 24.833 -13.337 -12.756 1.00 5.24 O ATOM 949 OE2 GLU A 63 24.534 -14.868 -11.208 1.00 21.12 O ATOM 0 H GLU A 63 21.280 -14.776 -12.495 1.00 11.12 H new ATOM 0 HA GLU A 63 20.459 -12.647 -10.879 1.00 74.25 H new ATOM 0 HB2 GLU A 63 22.414 -12.893 -13.186 1.00 53.13 H new ATOM 0 HB3 GLU A 63 22.208 -11.394 -12.303 1.00 53.13 H new ATOM 0 HG2 GLU A 63 23.518 -12.109 -10.632 1.00 34.31 H new ATOM 0 HG3 GLU A 63 22.571 -13.569 -10.430 1.00 34.31 H new ATOM 956 N ASP A 64 19.719 -12.287 -14.085 1.00 51.42 N ATOM 957 CA ASP A 64 18.869 -11.553 -15.015 1.00 55.50 C ATOM 958 C ASP A 64 17.424 -11.527 -14.526 1.00 11.34 C ATOM 959 O ASP A 64 16.810 -10.464 -14.426 1.00 60.13 O ATOM 960 CB ASP A 64 18.937 -12.181 -16.408 1.00 22.45 C ATOM 961 CG ASP A 64 20.263 -11.921 -17.096 1.00 14.32 C ATOM 962 OD1 ASP A 64 21.183 -11.399 -16.433 1.00 4.33 O ATOM 963 OD2 ASP A 64 20.379 -12.240 -18.297 1.00 44.54 O ATOM 0 H ASP A 64 20.283 -13.019 -14.517 1.00 51.42 H new ATOM 0 HA ASP A 64 19.235 -10.528 -15.069 1.00 55.50 H new ATOM 0 HB2 ASP A 64 18.778 -13.256 -16.327 1.00 22.45 H new ATOM 0 HB3 ASP A 64 18.128 -11.784 -17.022 1.00 22.45 H new ATOM 968 N PHE A 65 16.886 -12.703 -14.222 1.00 62.41 N ATOM 969 CA PHE A 65 15.513 -12.816 -13.745 1.00 72.20 C ATOM 970 C PHE A 65 15.267 -11.877 -12.568 1.00 23.35 C ATOM 971 O PHE A 65 14.265 -11.163 -12.527 1.00 24.13 O ATOM 972 CB PHE A 65 15.210 -14.259 -13.334 1.00 2.54 C ATOM 973 CG PHE A 65 13.752 -14.611 -13.413 1.00 24.23 C ATOM 974 CD1 PHE A 65 13.140 -14.812 -14.639 1.00 62.03 C ATOM 975 CD2 PHE A 65 12.994 -14.741 -12.260 1.00 70.24 C ATOM 976 CE1 PHE A 65 11.799 -15.137 -14.716 1.00 31.03 C ATOM 977 CE2 PHE A 65 11.653 -15.066 -12.331 1.00 34.44 C ATOM 978 CZ PHE A 65 11.054 -15.263 -13.560 1.00 30.33 C ATOM 0 H PHE A 65 17.380 -13.592 -14.298 1.00 62.41 H new ATOM 0 HA PHE A 65 14.847 -12.531 -14.560 1.00 72.20 H new ATOM 0 HB2 PHE A 65 15.774 -14.937 -13.974 1.00 2.54 H new ATOM 0 HB3 PHE A 65 15.559 -14.419 -12.314 1.00 2.54 H new ATOM 0 HD1 PHE A 65 13.718 -14.714 -15.546 1.00 62.03 H new ATOM 0 HD2 PHE A 65 13.456 -14.587 -11.296 1.00 70.24 H new ATOM 0 HE1 PHE A 65 11.334 -15.292 -15.679 1.00 31.03 H new ATOM 0 HE2 PHE A 65 11.073 -15.166 -11.425 1.00 34.44 H new ATOM 0 HZ PHE A 65 10.005 -15.515 -13.617 1.00 30.33 H new ATOM 988 N VAL A 66 16.189 -11.885 -11.610 1.00 45.31 N ATOM 989 CA VAL A 66 16.075 -11.034 -10.431 1.00 73.25 C ATOM 990 C VAL A 66 16.294 -9.568 -10.788 1.00 62.31 C ATOM 991 O VAL A 66 15.835 -8.672 -10.080 1.00 61.43 O ATOM 992 CB VAL A 66 17.085 -11.443 -9.343 1.00 62.45 C ATOM 993 CG1 VAL A 66 16.977 -10.520 -8.140 1.00 3.23 C ATOM 994 CG2 VAL A 66 16.870 -12.893 -8.935 1.00 13.21 C ATOM 0 H VAL A 66 17.023 -12.472 -11.627 1.00 45.31 H new ATOM 0 HA VAL A 66 15.064 -11.163 -10.044 1.00 73.25 H new ATOM 0 HB VAL A 66 18.091 -11.350 -9.752 1.00 62.45 H new ATOM 0 HG11 VAL A 66 17.698 -10.825 -7.382 1.00 3.23 H new ATOM 0 HG12 VAL A 66 17.185 -9.495 -8.448 1.00 3.23 H new ATOM 0 HG13 VAL A 66 15.970 -10.577 -7.727 1.00 3.23 H new ATOM 0 HG21 VAL A 66 17.592 -13.165 -8.165 1.00 13.21 H new ATOM 0 HG22 VAL A 66 15.860 -13.015 -8.544 1.00 13.21 H new ATOM 0 HG23 VAL A 66 17.004 -13.539 -9.803 1.00 13.21 H new ATOM 1004 N GLN A 67 16.998 -9.332 -11.890 1.00 65.22 N ATOM 1005 CA GLN A 67 17.279 -7.974 -12.341 1.00 31.04 C ATOM 1006 C GLN A 67 15.986 -7.205 -12.588 1.00 54.33 C ATOM 1007 O GLN A 67 15.710 -6.205 -11.925 1.00 61.23 O ATOM 1008 CB GLN A 67 18.122 -8.001 -13.616 1.00 65.14 C ATOM 1009 CG GLN A 67 18.936 -6.735 -13.835 1.00 74.51 C ATOM 1010 CD GLN A 67 19.916 -6.863 -14.984 1.00 61.12 C ATOM 1011 OE1 GLN A 67 19.794 -6.176 -15.999 1.00 31.21 O ATOM 1012 NE2 GLN A 67 20.897 -7.745 -14.831 1.00 33.21 N ATOM 0 H GLN A 67 17.384 -10.063 -12.487 1.00 65.22 H new ATOM 0 HA GLN A 67 17.839 -7.466 -11.556 1.00 31.04 H new ATOM 0 HB2 GLN A 67 18.798 -8.855 -13.577 1.00 65.14 H new ATOM 0 HB3 GLN A 67 17.465 -8.153 -14.473 1.00 65.14 H new ATOM 0 HG2 GLN A 67 18.260 -5.902 -14.030 1.00 74.51 H new ATOM 0 HG3 GLN A 67 19.481 -6.496 -12.922 1.00 74.51 H new ATOM 0 HE21 GLN A 67 20.961 -8.293 -13.973 1.00 33.21 H new ATOM 0 HE22 GLN A 67 21.587 -7.874 -15.571 1.00 33.21 H new ATOM 1021 N MET A 68 15.196 -7.677 -13.547 1.00 61.32 N ATOM 1022 CA MET A 68 13.931 -7.034 -13.882 1.00 0.44 C ATOM 1023 C MET A 68 13.060 -6.868 -12.640 1.00 64.30 C ATOM 1024 O MET A 68 12.252 -5.944 -12.556 1.00 43.02 O ATOM 1025 CB MET A 68 13.183 -7.849 -14.938 1.00 41.34 C ATOM 1026 CG MET A 68 12.873 -7.065 -16.203 1.00 53.41 C ATOM 1027 SD MET A 68 11.199 -6.394 -16.212 1.00 31.44 S ATOM 1028 CE MET A 68 11.499 -4.742 -16.836 1.00 32.55 C ATOM 0 H MET A 68 15.410 -8.503 -14.106 1.00 61.32 H new ATOM 0 HA MET A 68 14.151 -6.046 -14.285 1.00 0.44 H new ATOM 0 HB2 MET A 68 13.779 -8.724 -15.199 1.00 41.34 H new ATOM 0 HB3 MET A 68 12.250 -8.215 -14.509 1.00 41.34 H new ATOM 0 HG2 MET A 68 13.588 -6.249 -16.304 1.00 53.41 H new ATOM 0 HG3 MET A 68 13.005 -7.713 -17.069 1.00 53.41 H new ATOM 0 HE1 MET A 68 10.555 -4.200 -16.899 1.00 32.55 H new ATOM 0 HE2 MET A 68 12.176 -4.216 -16.162 1.00 32.55 H new ATOM 0 HE3 MET A 68 11.949 -4.803 -17.827 1.00 32.55 H new ATOM 1038 N MET A 69 13.231 -7.770 -11.679 1.00 32.12 N ATOM 1039 CA MET A 69 12.461 -7.722 -10.441 1.00 75.45 C ATOM 1040 C MET A 69 12.995 -6.640 -9.510 1.00 2.35 C ATOM 1041 O MET A 69 12.232 -5.986 -8.798 1.00 1.33 O ATOM 1042 CB MET A 69 12.499 -9.081 -9.739 1.00 1.00 C ATOM 1043 CG MET A 69 11.262 -9.369 -8.904 1.00 52.21 C ATOM 1044 SD MET A 69 9.784 -9.605 -9.910 1.00 44.14 S ATOM 1045 CE MET A 69 10.176 -11.148 -10.730 1.00 64.34 C ATOM 0 H MET A 69 13.895 -8.542 -11.733 1.00 32.12 H new ATOM 0 HA MET A 69 11.429 -7.481 -10.694 1.00 75.45 H new ATOM 0 HB2 MET A 69 12.612 -9.865 -10.488 1.00 1.00 H new ATOM 0 HB3 MET A 69 13.379 -9.125 -9.097 1.00 1.00 H new ATOM 0 HG2 MET A 69 11.434 -10.262 -8.303 1.00 52.21 H new ATOM 0 HG3 MET A 69 11.097 -8.545 -8.210 1.00 52.21 H new ATOM 0 HE1 MET A 69 10.465 -10.948 -11.762 1.00 64.34 H new ATOM 0 HE2 MET A 69 11.000 -11.637 -10.210 1.00 64.34 H new ATOM 0 HE3 MET A 69 9.302 -11.799 -10.717 1.00 64.34 H new ATOM 1055 N THR A 70 14.312 -6.455 -9.518 1.00 53.20 N ATOM 1056 CA THR A 70 14.948 -5.453 -8.673 1.00 3.43 C ATOM 1057 C THR A 70 14.814 -4.059 -9.276 1.00 31.02 C ATOM 1058 O THR A 70 14.776 -3.062 -8.556 1.00 1.13 O ATOM 1059 CB THR A 70 16.441 -5.765 -8.458 1.00 43.11 C ATOM 1060 OG1 THR A 70 17.067 -6.051 -9.714 1.00 23.43 O ATOM 1061 CG2 THR A 70 16.617 -6.947 -7.517 1.00 10.13 C ATOM 0 H THR A 70 14.958 -6.987 -10.101 1.00 53.20 H new ATOM 0 HA THR A 70 14.436 -5.481 -7.711 1.00 3.43 H new ATOM 0 HB THR A 70 16.911 -4.890 -8.009 1.00 43.11 H new ATOM 0 HG1 THR A 70 16.489 -5.746 -10.444 1.00 23.43 H new ATOM 0 HG21 THR A 70 17.680 -7.148 -7.381 1.00 10.13 H new ATOM 0 HG22 THR A 70 16.165 -6.715 -6.553 1.00 10.13 H new ATOM 0 HG23 THR A 70 16.133 -7.826 -7.942 1.00 10.13 H new ATOM 1069 N ALA A 71 14.741 -3.997 -10.601 1.00 65.54 N ATOM 1070 CA ALA A 71 14.608 -2.726 -11.301 1.00 4.41 C ATOM 1071 C ALA A 71 13.168 -2.226 -11.263 1.00 70.41 C ATOM 1072 O ALA A 71 12.229 -3.016 -11.159 1.00 53.35 O ATOM 1073 CB ALA A 71 15.084 -2.862 -12.740 1.00 21.34 C ATOM 0 H ALA A 71 14.772 -4.813 -11.212 1.00 65.54 H new ATOM 0 HA ALA A 71 15.233 -1.993 -10.792 1.00 4.41 H new ATOM 0 HB1 ALA A 71 14.979 -1.905 -13.250 1.00 21.34 H new ATOM 0 HB2 ALA A 71 16.131 -3.165 -12.750 1.00 21.34 H new ATOM 0 HB3 ALA A 71 14.484 -3.614 -13.252 1.00 21.34 H new ATOM 1079 N LYS A 72 13.000 -0.911 -11.347 1.00 62.01 N ATOM 1080 CA LYS A 72 11.674 -0.305 -11.323 1.00 61.32 C ATOM 1081 C LYS A 72 11.413 0.483 -12.603 1.00 32.13 C ATOM 1082 O LYS A 72 10.269 0.856 -12.856 1.00 55.13 O ATOM 1083 CB LYS A 72 11.533 0.614 -10.108 1.00 34.33 C ATOM 1084 CG LYS A 72 10.319 0.304 -9.249 1.00 33.31 C ATOM 1085 CD LYS A 72 9.502 1.553 -8.966 1.00 10.40 C ATOM 1086 CE LYS A 72 8.103 1.207 -8.481 1.00 33.22 C ATOM 1087 NZ LYS A 72 7.158 1.003 -9.613 1.00 55.24 N ATOM 0 H LYS A 72 13.767 -0.244 -11.432 1.00 62.01 H new ATOM 0 HA LYS A 72 10.937 -1.105 -11.253 1.00 61.32 H new ATOM 0 HB2 LYS A 72 12.431 0.533 -9.496 1.00 34.33 H new ATOM 0 HB3 LYS A 72 11.472 1.647 -10.450 1.00 34.33 H new ATOM 0 HG2 LYS A 72 9.695 -0.434 -9.753 1.00 33.31 H new ATOM 0 HG3 LYS A 72 10.642 -0.141 -8.308 1.00 33.31 H new ATOM 0 HD2 LYS A 72 10.009 2.158 -8.215 1.00 10.40 H new ATOM 0 HD3 LYS A 72 9.435 2.158 -9.870 1.00 10.40 H new ATOM 0 HE2 LYS A 72 8.143 0.303 -7.874 1.00 33.22 H new ATOM 0 HE3 LYS A 72 7.733 2.006 -7.839 1.00 33.22 H new ATOM 0 HZ1 LYS A 72 6.216 0.769 -9.241 1.00 55.24 H new ATOM 0 HZ2 LYS A 72 7.100 1.874 -10.178 1.00 55.24 H new ATOM 0 HZ3 LYS A 72 7.497 0.223 -10.212 1.00 55.24 H new TER 1101 LYS A 72