USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 269 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.00081) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 15 GLN : amide:sc= -3.99 X(o=-4,f=-4.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= -0.0891 (180deg=-0.526) USER MOD Single : A 35 MET CE :methyl 169:sc= -0.979 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 38 N PHE A 4 -1.590 -0.680 -1.515 1.00 45.40 N ATOM 39 CA PHE A 4 -2.985 -0.866 -1.135 1.00 0.32 C ATOM 40 C PHE A 4 -3.464 -2.270 -1.493 1.00 43.52 C ATOM 41 O PHE A 4 -4.373 -2.807 -0.861 1.00 22.24 O ATOM 42 CB PHE A 4 -3.867 0.178 -1.824 1.00 61.40 C ATOM 43 CG PHE A 4 -5.017 0.644 -0.978 1.00 20.43 C ATOM 44 CD1 PHE A 4 -4.887 1.753 -0.159 1.00 3.52 C ATOM 45 CD2 PHE A 4 -6.228 -0.029 -1.001 1.00 13.22 C ATOM 46 CE1 PHE A 4 -5.943 2.185 0.621 1.00 11.20 C ATOM 47 CE2 PHE A 4 -7.288 0.398 -0.224 1.00 13.53 C ATOM 48 CZ PHE A 4 -7.145 1.506 0.589 1.00 12.02 C ATOM 0 HA PHE A 4 -3.061 -0.740 -0.055 1.00 0.32 H new ATOM 0 HB2 PHE A 4 -3.254 1.038 -2.095 1.00 61.40 H new ATOM 0 HB3 PHE A 4 -4.256 -0.242 -2.752 1.00 61.40 H new ATOM 0 HD1 PHE A 4 -3.949 2.287 -0.129 1.00 3.52 H new ATOM 0 HD2 PHE A 4 -6.345 -0.897 -1.633 1.00 13.22 H new ATOM 0 HE1 PHE A 4 -5.828 3.052 1.254 1.00 11.20 H new ATOM 0 HE2 PHE A 4 -8.227 -0.134 -0.252 1.00 13.53 H new ATOM 0 HZ PHE A 4 -7.972 1.840 1.198 1.00 12.02 H new ATOM 58 N ARG A 5 -2.845 -2.857 -2.512 1.00 54.14 N ATOM 59 CA ARG A 5 -3.209 -4.197 -2.957 1.00 2.01 C ATOM 60 C ARG A 5 -2.303 -5.246 -2.318 1.00 52.11 C ATOM 61 O ARG A 5 -2.145 -6.348 -2.844 1.00 45.13 O ATOM 62 CB ARG A 5 -3.122 -4.293 -4.481 1.00 40.12 C ATOM 63 CG ARG A 5 -4.413 -3.916 -5.190 1.00 3.33 C ATOM 64 CD ARG A 5 -4.820 -2.483 -4.881 1.00 23.44 C ATOM 65 NE ARG A 5 -5.808 -2.415 -3.807 1.00 44.32 N ATOM 66 CZ ARG A 5 -7.100 -2.667 -3.981 1.00 31.13 C ATOM 67 NH1 ARG A 5 -7.558 -3.004 -5.179 1.00 13.45 N ATOM 68 NH2 ARG A 5 -7.937 -2.584 -2.955 1.00 12.44 N ATOM 0 H ARG A 5 -2.089 -2.426 -3.045 1.00 54.14 H new ATOM 0 HA ARG A 5 -4.236 -4.390 -2.646 1.00 2.01 H new ATOM 0 HB2 ARG A 5 -2.321 -3.642 -4.832 1.00 40.12 H new ATOM 0 HB3 ARG A 5 -2.850 -5.312 -4.757 1.00 40.12 H new ATOM 0 HG2 ARG A 5 -4.287 -4.036 -6.266 1.00 3.33 H new ATOM 0 HG3 ARG A 5 -5.209 -4.595 -4.885 1.00 3.33 H new ATOM 0 HD2 ARG A 5 -3.938 -1.908 -4.599 1.00 23.44 H new ATOM 0 HD3 ARG A 5 -5.228 -2.020 -5.779 1.00 23.44 H new ATOM 0 HE ARG A 5 -5.488 -2.160 -2.873 1.00 44.32 H new ATOM 0 HH11 ARG A 5 -6.917 -3.070 -5.970 1.00 13.45 H new ATOM 0 HH12 ARG A 5 -8.551 -3.197 -5.310 1.00 13.45 H new ATOM 0 HH21 ARG A 5 -7.588 -2.326 -2.032 1.00 12.44 H new ATOM 0 HH22 ARG A 5 -8.929 -2.778 -3.089 1.00 12.44 H new ATOM 82 N HIS A 6 -1.711 -4.895 -1.181 1.00 22.32 N ATOM 83 CA HIS A 6 -0.821 -5.806 -0.470 1.00 21.50 C ATOM 84 C HIS A 6 -1.452 -6.271 0.839 1.00 20.31 C ATOM 85 O HIS A 6 -0.757 -6.486 1.833 1.00 53.44 O ATOM 86 CB HIS A 6 0.521 -5.128 -0.190 1.00 74.23 C ATOM 87 CG HIS A 6 1.705 -5.972 -0.548 1.00 72.35 C ATOM 88 ND1 HIS A 6 2.856 -5.456 -1.105 1.00 71.43 N ATOM 89 CD2 HIS A 6 1.913 -7.304 -0.425 1.00 34.14 C ATOM 90 CE1 HIS A 6 3.720 -6.435 -1.310 1.00 51.41 C ATOM 91 NE2 HIS A 6 3.172 -7.566 -0.905 1.00 61.10 N ATOM 0 H HIS A 6 -1.831 -3.987 -0.732 1.00 22.32 H new ATOM 0 HA HIS A 6 -0.654 -6.678 -1.102 1.00 21.50 H new ATOM 0 HB2 HIS A 6 0.570 -4.193 -0.748 1.00 74.23 H new ATOM 0 HB3 HIS A 6 0.575 -4.871 0.868 1.00 74.23 H new ATOM 0 HD2 HIS A 6 1.218 -8.026 -0.024 1.00 34.14 H new ATOM 0 HE1 HIS A 6 4.707 -6.328 -1.736 1.00 51.41 H new ATOM 0 HE2 HIS A 6 3.613 -8.485 -0.943 1.00 61.10 H new ATOM 99 N ASP A 7 -2.772 -6.424 0.832 1.00 25.14 N ATOM 100 CA ASP A 7 -3.496 -6.864 2.019 1.00 13.30 C ATOM 101 C ASP A 7 -3.702 -8.375 2.002 1.00 64.25 C ATOM 102 O ASP A 7 -4.427 -8.903 1.159 1.00 35.42 O ATOM 103 CB ASP A 7 -4.848 -6.154 2.109 1.00 11.02 C ATOM 104 CG ASP A 7 -4.940 -5.233 3.310 1.00 22.42 C ATOM 105 OD1 ASP A 7 -5.525 -4.138 3.175 1.00 5.04 O ATOM 106 OD2 ASP A 7 -4.428 -5.609 4.385 1.00 4.23 O ATOM 0 H ASP A 7 -3.362 -6.250 0.018 1.00 25.14 H new ATOM 0 HA ASP A 7 -2.899 -6.607 2.894 1.00 13.30 H new ATOM 0 HB2 ASP A 7 -5.013 -5.577 1.199 1.00 11.02 H new ATOM 0 HB3 ASP A 7 -5.643 -6.898 2.164 1.00 11.02 H new ATOM 111 N SER A 8 -3.056 -9.066 2.936 1.00 15.22 N ATOM 112 CA SER A 8 -3.164 -10.517 3.025 1.00 33.32 C ATOM 113 C SER A 8 -4.561 -10.932 3.478 1.00 52.43 C ATOM 114 O SER A 8 -4.920 -12.107 3.426 1.00 63.34 O ATOM 115 CB SER A 8 -2.117 -11.069 3.995 1.00 73.23 C ATOM 116 OG SER A 8 -2.692 -11.352 5.259 1.00 44.11 O ATOM 0 H SER A 8 -2.452 -8.644 3.642 1.00 15.22 H new ATOM 0 HA SER A 8 -2.985 -10.931 2.033 1.00 33.32 H new ATOM 0 HB2 SER A 8 -1.676 -11.976 3.581 1.00 73.23 H new ATOM 0 HB3 SER A 8 -1.309 -10.347 4.113 1.00 73.23 H new ATOM 0 HG SER A 8 -2.003 -11.705 5.860 1.00 44.11 H new ATOM 122 N GLY A 9 -5.346 -9.955 3.922 1.00 14.04 N ATOM 123 CA GLY A 9 -6.695 -10.237 4.378 1.00 11.11 C ATOM 124 C GLY A 9 -7.726 -9.332 3.733 1.00 31.01 C ATOM 125 O GLY A 9 -8.856 -9.749 3.478 1.00 30.53 O ATOM 0 H GLY A 9 -5.072 -8.974 3.974 1.00 14.04 H new ATOM 0 HA2 GLY A 9 -6.940 -11.276 4.158 1.00 11.11 H new ATOM 0 HA3 GLY A 9 -6.741 -10.121 5.461 1.00 11.11 H new ATOM 129 N TYR A 10 -7.338 -8.089 3.470 1.00 62.33 N ATOM 130 CA TYR A 10 -8.238 -7.122 2.854 1.00 11.53 C ATOM 131 C TYR A 10 -8.064 -7.102 1.339 1.00 60.43 C ATOM 132 O TYR A 10 -8.530 -6.187 0.662 1.00 51.14 O ATOM 133 CB TYR A 10 -7.987 -5.725 3.425 1.00 0.14 C ATOM 134 CG TYR A 10 -9.220 -5.084 4.021 1.00 2.24 C ATOM 135 CD1 TYR A 10 -10.150 -4.439 3.215 1.00 2.34 C ATOM 136 CD2 TYR A 10 -9.454 -5.122 5.390 1.00 31.03 C ATOM 137 CE1 TYR A 10 -11.277 -3.851 3.755 1.00 13.25 C ATOM 138 CE2 TYR A 10 -10.580 -4.538 5.939 1.00 65.21 C ATOM 139 CZ TYR A 10 -11.488 -3.904 5.118 1.00 41.34 C ATOM 140 OH TYR A 10 -12.609 -3.320 5.660 1.00 15.34 O ATOM 0 H TYR A 10 -6.406 -7.728 3.674 1.00 62.33 H new ATOM 0 HA TYR A 10 -9.261 -7.422 3.080 1.00 11.53 H new ATOM 0 HB2 TYR A 10 -7.214 -5.788 4.191 1.00 0.14 H new ATOM 0 HB3 TYR A 10 -7.600 -5.083 2.634 1.00 0.14 H new ATOM 0 HD1 TYR A 10 -9.989 -4.397 2.148 1.00 2.34 H new ATOM 0 HD2 TYR A 10 -8.744 -5.616 6.036 1.00 31.03 H new ATOM 0 HE1 TYR A 10 -11.989 -3.352 3.114 1.00 13.25 H new ATOM 0 HE2 TYR A 10 -10.748 -4.578 7.005 1.00 65.21 H new ATOM 0 HH TYR A 10 -12.607 -3.448 6.632 1.00 15.34 H new ATOM 150 N GLU A 11 -7.390 -8.121 0.814 1.00 5.12 N ATOM 151 CA GLU A 11 -7.153 -8.221 -0.621 1.00 73.42 C ATOM 152 C GLU A 11 -7.098 -9.681 -1.063 1.00 33.13 C ATOM 153 O GLU A 11 -6.384 -10.031 -2.002 1.00 42.22 O ATOM 154 CB GLU A 11 -5.849 -7.514 -0.997 1.00 34.13 C ATOM 155 CG GLU A 11 -5.859 -6.923 -2.396 1.00 40.23 C ATOM 156 CD GLU A 11 -5.012 -7.718 -3.371 1.00 54.23 C ATOM 157 OE1 GLU A 11 -5.417 -7.838 -4.547 1.00 14.23 O ATOM 158 OE2 GLU A 11 -3.946 -8.220 -2.960 1.00 1.25 O ATOM 0 H GLU A 11 -6.999 -8.888 1.361 1.00 5.12 H new ATOM 0 HA GLU A 11 -7.982 -7.734 -1.134 1.00 73.42 H new ATOM 0 HB2 GLU A 11 -5.656 -6.719 -0.277 1.00 34.13 H new ATOM 0 HB3 GLU A 11 -5.025 -8.223 -0.917 1.00 34.13 H new ATOM 0 HG2 GLU A 11 -6.885 -6.882 -2.762 1.00 40.23 H new ATOM 0 HG3 GLU A 11 -5.493 -5.897 -2.356 1.00 40.23 H new ATOM 165 N VAL A 12 -7.858 -10.530 -0.377 1.00 50.41 N ATOM 166 CA VAL A 12 -7.897 -11.951 -0.698 1.00 31.43 C ATOM 167 C VAL A 12 -9.194 -12.319 -1.411 1.00 3.55 C ATOM 168 O VAL A 12 -9.852 -11.464 -2.004 1.00 50.24 O ATOM 169 CB VAL A 12 -7.758 -12.816 0.569 1.00 22.40 C ATOM 170 CG1 VAL A 12 -6.854 -14.011 0.303 1.00 12.25 C ATOM 171 CG2 VAL A 12 -7.228 -11.984 1.727 1.00 51.33 C ATOM 0 H VAL A 12 -8.455 -10.258 0.404 1.00 50.41 H new ATOM 0 HA VAL A 12 -7.054 -12.149 -1.360 1.00 31.43 H new ATOM 0 HB VAL A 12 -8.745 -13.190 0.842 1.00 22.40 H new ATOM 0 HG11 VAL A 12 -6.767 -14.611 1.209 1.00 12.25 H new ATOM 0 HG12 VAL A 12 -7.280 -14.619 -0.495 1.00 12.25 H new ATOM 0 HG13 VAL A 12 -5.866 -13.661 0.004 1.00 12.25 H new ATOM 0 HG21 VAL A 12 -7.136 -12.611 2.614 1.00 51.33 H new ATOM 0 HG22 VAL A 12 -6.250 -11.579 1.466 1.00 51.33 H new ATOM 0 HG23 VAL A 12 -7.917 -11.165 1.932 1.00 51.33 H new ATOM 181 N HIS A 13 -9.556 -13.596 -1.347 1.00 51.15 N ATOM 182 CA HIS A 13 -10.776 -14.077 -1.986 1.00 61.14 C ATOM 183 C HIS A 13 -11.955 -13.164 -1.663 1.00 21.53 C ATOM 184 O HIS A 13 -12.915 -13.078 -2.429 1.00 43.45 O ATOM 185 CB HIS A 13 -11.083 -15.506 -1.536 1.00 51.44 C ATOM 186 CG HIS A 13 -12.513 -15.716 -1.144 1.00 53.43 C ATOM 187 ND1 HIS A 13 -13.474 -16.175 -2.020 1.00 52.43 N ATOM 188 CD2 HIS A 13 -13.144 -15.528 0.039 1.00 64.12 C ATOM 189 CE1 HIS A 13 -14.634 -16.259 -1.394 1.00 10.35 C ATOM 190 NE2 HIS A 13 -14.461 -15.873 -0.142 1.00 45.54 N ATOM 0 H HIS A 13 -9.023 -14.316 -0.860 1.00 51.15 H new ATOM 0 HA HIS A 13 -10.619 -14.070 -3.065 1.00 61.14 H new ATOM 0 HB2 HIS A 13 -10.831 -16.194 -2.343 1.00 51.44 H new ATOM 0 HB3 HIS A 13 -10.442 -15.758 -0.691 1.00 51.44 H new ATOM 0 HD2 HIS A 13 -12.695 -15.173 0.955 1.00 64.12 H new ATOM 0 HE1 HIS A 13 -15.565 -16.587 -1.831 1.00 10.35 H new ATOM 0 HE2 HIS A 13 -15.187 -15.837 0.573 1.00 45.54 H new ATOM 198 N HIS A 14 -11.877 -12.486 -0.522 1.00 64.22 N ATOM 199 CA HIS A 14 -12.938 -11.580 -0.097 1.00 64.11 C ATOM 200 C HIS A 14 -13.432 -10.735 -1.267 1.00 61.24 C ATOM 201 O HIS A 14 -14.626 -10.466 -1.389 1.00 15.44 O ATOM 202 CB HIS A 14 -12.441 -10.672 1.029 1.00 74.43 C ATOM 203 CG HIS A 14 -13.444 -10.473 2.123 1.00 10.13 C ATOM 204 ND1 HIS A 14 -14.773 -10.193 1.885 1.00 41.42 N ATOM 205 CD2 HIS A 14 -13.306 -10.516 3.469 1.00 21.41 C ATOM 206 CE1 HIS A 14 -15.408 -10.070 3.036 1.00 34.55 C ATOM 207 NE2 HIS A 14 -14.541 -10.263 4.014 1.00 42.14 N ATOM 0 H HIS A 14 -11.090 -12.547 0.124 1.00 64.22 H new ATOM 0 HA HIS A 14 -13.770 -12.181 0.271 1.00 64.11 H new ATOM 0 HB2 HIS A 14 -11.532 -11.098 1.454 1.00 74.43 H new ATOM 0 HB3 HIS A 14 -12.174 -9.701 0.611 1.00 74.43 H new ATOM 0 HD2 HIS A 14 -12.394 -10.713 4.013 1.00 21.41 H new ATOM 0 HE1 HIS A 14 -16.458 -9.849 3.157 1.00 34.55 H new ATOM 0 HE2 HIS A 14 -14.754 -10.230 5.011 1.00 42.14 H new ATOM 215 N GLN A 15 -12.505 -10.321 -2.125 1.00 3.42 N ATOM 216 CA GLN A 15 -12.847 -9.505 -3.284 1.00 71.20 C ATOM 217 C GLN A 15 -12.165 -10.034 -4.542 1.00 13.42 C ATOM 218 O GLN A 15 -10.938 -10.081 -4.622 1.00 63.23 O ATOM 219 CB GLN A 15 -12.446 -8.048 -3.046 1.00 22.52 C ATOM 220 CG GLN A 15 -11.242 -7.891 -2.131 1.00 43.13 C ATOM 221 CD GLN A 15 -11.633 -7.668 -0.684 1.00 34.42 C ATOM 222 OE1 GLN A 15 -12.783 -7.346 -0.382 1.00 42.42 O ATOM 223 NE2 GLN A 15 -10.677 -7.840 0.222 1.00 74.44 N ATOM 0 H GLN A 15 -11.512 -10.537 -2.039 1.00 3.42 H new ATOM 0 HA GLN A 15 -13.926 -9.558 -3.428 1.00 71.20 H new ATOM 0 HB2 GLN A 15 -12.227 -7.579 -4.005 1.00 22.52 H new ATOM 0 HB3 GLN A 15 -13.292 -7.513 -2.615 1.00 22.52 H new ATOM 0 HG2 GLN A 15 -10.618 -8.782 -2.201 1.00 43.13 H new ATOM 0 HG3 GLN A 15 -10.637 -7.051 -2.473 1.00 43.13 H new ATOM 0 HE21 GLN A 15 -9.738 -8.107 -0.072 1.00 74.44 H new ATOM 0 HE22 GLN A 15 -10.882 -7.705 1.212 1.00 74.44 H new ATOM 232 N LYS A 16 -12.969 -10.431 -5.522 1.00 54.53 N ATOM 233 CA LYS A 16 -12.445 -10.955 -6.778 1.00 21.25 C ATOM 234 C LYS A 16 -13.171 -10.341 -7.970 1.00 13.22 C ATOM 235 O LYS A 16 -12.920 -10.707 -9.119 1.00 1.32 O ATOM 236 CB LYS A 16 -12.581 -12.479 -6.814 1.00 32.02 C ATOM 237 CG LYS A 16 -11.814 -13.131 -7.951 1.00 21.43 C ATOM 238 CD LYS A 16 -11.470 -14.577 -7.634 1.00 73.31 C ATOM 239 CE LYS A 16 -11.876 -15.507 -8.767 1.00 63.52 C ATOM 240 NZ LYS A 16 -11.321 -16.877 -8.586 1.00 22.43 N ATOM 0 H LYS A 16 -13.987 -10.400 -5.471 1.00 54.53 H new ATOM 0 HA LYS A 16 -11.390 -10.688 -6.842 1.00 21.25 H new ATOM 0 HB2 LYS A 16 -12.229 -12.889 -5.867 1.00 32.02 H new ATOM 0 HB3 LYS A 16 -13.636 -12.739 -6.902 1.00 32.02 H new ATOM 0 HG2 LYS A 16 -12.409 -13.089 -8.863 1.00 21.43 H new ATOM 0 HG3 LYS A 16 -10.898 -12.571 -8.141 1.00 21.43 H new ATOM 0 HD2 LYS A 16 -10.399 -14.666 -7.455 1.00 73.31 H new ATOM 0 HD3 LYS A 16 -11.973 -14.879 -6.716 1.00 73.31 H new ATOM 0 HE2 LYS A 16 -12.963 -15.560 -8.821 1.00 63.52 H new ATOM 0 HE3 LYS A 16 -11.529 -15.097 -9.715 1.00 63.52 H new ATOM 0 HZ1 LYS A 16 -11.620 -17.480 -9.379 1.00 22.43 H new ATOM 0 HZ2 LYS A 16 -10.282 -16.830 -8.560 1.00 22.43 H new ATOM 0 HZ3 LYS A 16 -11.672 -17.279 -7.693 1.00 22.43 H new ATOM 254 N LEU A 17 -14.071 -9.405 -7.690 1.00 55.20 N ATOM 255 CA LEU A 17 -14.834 -8.738 -8.740 1.00 44.01 C ATOM 256 C LEU A 17 -14.652 -7.225 -8.667 1.00 74.24 C ATOM 257 O LEU A 17 -15.112 -6.491 -9.542 1.00 75.43 O ATOM 258 CB LEU A 17 -16.317 -9.092 -8.624 1.00 13.53 C ATOM 259 CG LEU A 17 -16.636 -10.549 -8.289 1.00 24.12 C ATOM 260 CD1 LEU A 17 -17.157 -10.668 -6.865 1.00 72.12 C ATOM 261 CD2 LEU A 17 -17.644 -11.115 -9.277 1.00 74.44 C ATOM 0 H LEU A 17 -14.291 -9.090 -6.745 1.00 55.20 H new ATOM 0 HA LEU A 17 -14.460 -9.084 -9.703 1.00 44.01 H new ATOM 0 HB2 LEU A 17 -16.762 -8.458 -7.857 1.00 13.53 H new ATOM 0 HB3 LEU A 17 -16.804 -8.842 -9.566 1.00 13.53 H new ATOM 0 HG LEU A 17 -15.717 -11.129 -8.367 1.00 24.12 H new ATOM 0 HD11 LEU A 17 -17.379 -11.712 -6.645 1.00 72.12 H new ATOM 0 HD12 LEU A 17 -16.401 -10.303 -6.169 1.00 72.12 H new ATOM 0 HD13 LEU A 17 -18.065 -10.074 -6.759 1.00 72.12 H new ATOM 0 HD21 LEU A 17 -17.859 -12.153 -9.023 1.00 74.44 H new ATOM 0 HD22 LEU A 17 -18.564 -10.532 -9.232 1.00 74.44 H new ATOM 0 HD23 LEU A 17 -17.232 -11.066 -10.285 1.00 74.44 H new ATOM 273 N VAL A 18 -13.977 -6.765 -7.619 1.00 41.11 N ATOM 274 CA VAL A 18 -13.732 -5.340 -7.434 1.00 5.35 C ATOM 275 C VAL A 18 -12.485 -4.894 -8.190 1.00 55.42 C ATOM 276 O VAL A 18 -12.054 -3.746 -8.076 1.00 73.01 O ATOM 277 CB VAL A 18 -13.567 -4.988 -5.943 1.00 51.10 C ATOM 278 CG1 VAL A 18 -12.212 -5.453 -5.431 1.00 15.13 C ATOM 279 CG2 VAL A 18 -13.744 -3.493 -5.726 1.00 44.44 C ATOM 0 H VAL A 18 -13.590 -7.358 -6.885 1.00 41.11 H new ATOM 0 HA VAL A 18 -14.601 -4.815 -7.830 1.00 5.35 H new ATOM 0 HB VAL A 18 -14.340 -5.508 -5.377 1.00 51.10 H new ATOM 0 HG11 VAL A 18 -12.114 -5.196 -4.376 1.00 15.13 H new ATOM 0 HG12 VAL A 18 -12.129 -6.533 -5.550 1.00 15.13 H new ATOM 0 HG13 VAL A 18 -11.421 -4.964 -5.999 1.00 15.13 H new ATOM 0 HG21 VAL A 18 -13.624 -3.262 -4.667 1.00 44.44 H new ATOM 0 HG22 VAL A 18 -12.995 -2.950 -6.303 1.00 44.44 H new ATOM 0 HG23 VAL A 18 -14.740 -3.193 -6.052 1.00 44.44 H new ATOM 289 N PHE A 19 -11.911 -5.808 -8.964 1.00 24.40 N ATOM 290 CA PHE A 19 -10.713 -5.510 -9.740 1.00 42.31 C ATOM 291 C PHE A 19 -11.079 -5.004 -11.132 1.00 40.43 C ATOM 292 O PHE A 19 -10.250 -5.002 -12.042 1.00 42.25 O ATOM 293 CB PHE A 19 -9.829 -6.754 -9.853 1.00 54.15 C ATOM 294 CG PHE A 19 -8.432 -6.457 -10.316 1.00 3.50 C ATOM 295 CD1 PHE A 19 -7.659 -5.508 -9.665 1.00 55.12 C ATOM 296 CD2 PHE A 19 -7.890 -7.125 -11.402 1.00 32.40 C ATOM 297 CE1 PHE A 19 -6.373 -5.232 -10.088 1.00 63.10 C ATOM 298 CE2 PHE A 19 -6.604 -6.854 -11.829 1.00 30.20 C ATOM 299 CZ PHE A 19 -5.845 -5.906 -11.172 1.00 42.41 C ATOM 0 H PHE A 19 -12.256 -6.762 -9.071 1.00 24.40 H new ATOM 0 HA PHE A 19 -10.160 -4.727 -9.221 1.00 42.31 H new ATOM 0 HB2 PHE A 19 -9.784 -7.247 -8.882 1.00 54.15 H new ATOM 0 HB3 PHE A 19 -10.291 -7.457 -10.546 1.00 54.15 H new ATOM 0 HD1 PHE A 19 -8.067 -4.978 -8.817 1.00 55.12 H new ATOM 0 HD2 PHE A 19 -8.480 -7.866 -11.921 1.00 32.40 H new ATOM 0 HE1 PHE A 19 -5.781 -4.490 -9.572 1.00 63.10 H new ATOM 0 HE2 PHE A 19 -6.193 -7.383 -12.676 1.00 30.20 H new ATOM 0 HZ PHE A 19 -4.840 -5.692 -11.505 1.00 42.41 H new ATOM 309 N PHE A 20 -12.327 -4.575 -11.290 1.00 60.23 N ATOM 310 CA PHE A 20 -12.805 -4.068 -12.571 1.00 42.02 C ATOM 311 C PHE A 20 -13.937 -3.065 -12.371 1.00 10.12 C ATOM 312 O PHE A 20 -14.709 -2.792 -13.290 1.00 20.34 O ATOM 313 CB PHE A 20 -13.282 -5.222 -13.455 1.00 64.41 C ATOM 314 CG PHE A 20 -13.234 -4.912 -14.924 1.00 11.11 C ATOM 315 CD1 PHE A 20 -14.402 -4.706 -15.640 1.00 72.11 C ATOM 316 CD2 PHE A 20 -12.021 -4.826 -15.588 1.00 73.35 C ATOM 317 CE1 PHE A 20 -14.362 -4.420 -16.992 1.00 11.12 C ATOM 318 CE2 PHE A 20 -11.975 -4.540 -16.940 1.00 0.12 C ATOM 319 CZ PHE A 20 -13.147 -4.338 -17.643 1.00 3.35 C ATOM 0 H PHE A 20 -13.026 -4.568 -10.547 1.00 60.23 H new ATOM 0 HA PHE A 20 -11.976 -3.560 -13.064 1.00 42.02 H new ATOM 0 HB2 PHE A 20 -12.666 -6.099 -13.257 1.00 64.41 H new ATOM 0 HB3 PHE A 20 -14.304 -5.481 -13.180 1.00 64.41 H new ATOM 0 HD1 PHE A 20 -15.355 -4.770 -15.136 1.00 72.11 H new ATOM 0 HD2 PHE A 20 -11.102 -4.984 -15.044 1.00 73.35 H new ATOM 0 HE1 PHE A 20 -15.280 -4.261 -17.538 1.00 11.12 H new ATOM 0 HE2 PHE A 20 -11.023 -4.475 -17.446 1.00 0.12 H new ATOM 0 HZ PHE A 20 -13.113 -4.116 -18.699 1.00 3.35 H new ATOM 329 N ALA A 21 -14.029 -2.519 -11.162 1.00 71.34 N ATOM 330 CA ALA A 21 -15.065 -1.546 -10.841 1.00 11.32 C ATOM 331 C ALA A 21 -14.455 -0.210 -10.431 1.00 43.43 C ATOM 332 O ALA A 21 -15.061 0.844 -10.621 1.00 75.12 O ATOM 333 CB ALA A 21 -15.965 -2.078 -9.735 1.00 62.13 C ATOM 0 H ALA A 21 -13.398 -2.734 -10.390 1.00 71.34 H new ATOM 0 HA ALA A 21 -15.665 -1.383 -11.736 1.00 11.32 H new ATOM 0 HB1 ALA A 21 -16.734 -1.341 -9.506 1.00 62.13 H new ATOM 0 HB2 ALA A 21 -16.437 -3.004 -10.064 1.00 62.13 H new ATOM 0 HB3 ALA A 21 -15.370 -2.271 -8.843 1.00 62.13 H new ATOM 339 N GLU A 22 -13.252 -0.262 -9.868 1.00 45.43 N ATOM 340 CA GLU A 22 -12.561 0.946 -9.431 1.00 21.11 C ATOM 341 C GLU A 22 -11.852 1.621 -10.601 1.00 42.42 C ATOM 342 O GLU A 22 -10.638 1.823 -10.572 1.00 43.14 O ATOM 343 CB GLU A 22 -11.550 0.612 -8.332 1.00 1.01 C ATOM 344 CG GLU A 22 -11.357 1.731 -7.322 1.00 44.13 C ATOM 345 CD GLU A 22 -12.659 2.169 -6.680 1.00 23.51 C ATOM 346 OE1 GLU A 22 -13.262 3.147 -7.169 1.00 63.44 O ATOM 347 OE2 GLU A 22 -13.074 1.534 -5.688 1.00 73.33 O ATOM 0 H GLU A 22 -12.736 -1.126 -9.704 1.00 45.43 H new ATOM 0 HA GLU A 22 -13.305 1.636 -9.033 1.00 21.11 H new ATOM 0 HB2 GLU A 22 -11.878 -0.286 -7.809 1.00 1.01 H new ATOM 0 HB3 GLU A 22 -10.590 0.379 -8.792 1.00 1.01 H new ATOM 0 HG2 GLU A 22 -10.667 1.400 -6.546 1.00 44.13 H new ATOM 0 HG3 GLU A 22 -10.894 2.585 -7.816 1.00 44.13 H new ATOM 354 N ASP A 23 -12.619 1.968 -11.629 1.00 65.33 N ATOM 355 CA ASP A 23 -12.065 2.621 -12.810 1.00 31.11 C ATOM 356 C ASP A 23 -13.174 3.033 -13.773 1.00 71.51 C ATOM 357 O ASP A 23 -13.130 4.113 -14.361 1.00 54.14 O ATOM 358 CB ASP A 23 -11.077 1.692 -13.517 1.00 72.20 C ATOM 359 CG ASP A 23 -10.638 2.231 -14.864 1.00 74.24 C ATOM 360 OD1 ASP A 23 -10.375 3.448 -14.960 1.00 14.12 O ATOM 361 OD2 ASP A 23 -10.557 1.435 -15.823 1.00 52.23 O ATOM 0 H ASP A 23 -13.626 1.808 -11.669 1.00 65.33 H new ATOM 0 HA ASP A 23 -11.538 3.518 -12.485 1.00 31.11 H new ATOM 0 HB2 ASP A 23 -10.202 1.548 -12.884 1.00 72.20 H new ATOM 0 HB3 ASP A 23 -11.537 0.713 -13.653 1.00 72.20 H new ATOM 366 N VAL A 24 -14.167 2.163 -13.931 1.00 13.15 N ATOM 367 CA VAL A 24 -15.288 2.436 -14.822 1.00 60.14 C ATOM 368 C VAL A 24 -15.954 3.764 -14.478 1.00 63.42 C ATOM 369 O VAL A 24 -16.503 4.439 -15.348 1.00 25.31 O ATOM 370 CB VAL A 24 -16.342 1.314 -14.759 1.00 44.31 C ATOM 371 CG1 VAL A 24 -17.457 1.572 -15.761 1.00 10.04 C ATOM 372 CG2 VAL A 24 -15.694 -0.039 -15.007 1.00 64.50 C ATOM 0 H VAL A 24 -14.218 1.263 -13.453 1.00 13.15 H new ATOM 0 HA VAL A 24 -14.883 2.487 -15.833 1.00 60.14 H new ATOM 0 HB VAL A 24 -16.779 1.305 -13.760 1.00 44.31 H new ATOM 0 HG11 VAL A 24 -18.192 0.769 -15.702 1.00 10.04 H new ATOM 0 HG12 VAL A 24 -17.939 2.523 -15.532 1.00 10.04 H new ATOM 0 HG13 VAL A 24 -17.040 1.609 -16.768 1.00 10.04 H new ATOM 0 HG21 VAL A 24 -16.453 -0.820 -14.959 1.00 64.50 H new ATOM 0 HG22 VAL A 24 -15.229 -0.045 -15.993 1.00 64.50 H new ATOM 0 HG23 VAL A 24 -14.935 -0.224 -14.247 1.00 64.50 H new ATOM 382 N GLY A 25 -15.901 4.133 -13.202 1.00 24.21 N ATOM 383 CA GLY A 25 -16.502 5.379 -12.765 1.00 1.14 C ATOM 384 C GLY A 25 -15.932 6.583 -13.488 1.00 51.02 C ATOM 385 O GLY A 25 -16.557 7.643 -13.531 1.00 24.02 O ATOM 0 H GLY A 25 -15.453 3.591 -12.463 1.00 24.21 H new ATOM 0 HA2 GLY A 25 -17.579 5.337 -12.929 1.00 1.14 H new ATOM 0 HA3 GLY A 25 -16.348 5.497 -11.692 1.00 1.14 H new ATOM 389 N SER A 26 -14.742 6.421 -14.057 1.00 70.24 N ATOM 390 CA SER A 26 -14.085 7.505 -14.778 1.00 52.10 C ATOM 391 C SER A 26 -13.983 7.185 -16.266 1.00 55.03 C ATOM 392 O SER A 26 -12.927 6.788 -16.756 1.00 32.20 O ATOM 393 CB SER A 26 -12.690 7.757 -14.202 1.00 72.24 C ATOM 394 OG SER A 26 -12.752 8.605 -13.069 1.00 23.33 O ATOM 0 H SER A 26 -14.213 5.549 -14.033 1.00 70.24 H new ATOM 0 HA SER A 26 -14.688 8.405 -14.659 1.00 52.10 H new ATOM 0 HB2 SER A 26 -12.231 6.808 -13.925 1.00 72.24 H new ATOM 0 HB3 SER A 26 -12.055 8.209 -14.964 1.00 72.24 H new ATOM 0 HG SER A 26 -11.848 8.749 -12.719 1.00 23.33 H new ATOM 414 N LYS A 28 -13.913 9.164 -18.740 1.00 41.31 N ATOM 415 CA LYS A 28 -13.558 10.409 -19.411 1.00 55.33 C ATOM 416 C LYS A 28 -12.067 10.452 -19.727 1.00 62.51 C ATOM 417 O LYS A 28 -11.418 9.413 -19.845 1.00 4.14 O ATOM 418 CB LYS A 28 -13.940 11.609 -18.541 1.00 35.42 C ATOM 419 CG LYS A 28 -15.311 11.482 -17.899 1.00 12.22 C ATOM 420 CD LYS A 28 -16.417 11.483 -18.941 1.00 32.12 C ATOM 421 CE LYS A 28 -17.773 11.192 -18.315 1.00 44.10 C ATOM 422 NZ LYS A 28 -17.794 9.871 -17.627 1.00 52.44 N ATOM 0 HA LYS A 28 -14.112 10.457 -20.349 1.00 55.33 H new ATOM 0 HB2 LYS A 28 -13.191 11.733 -17.758 1.00 35.42 H new ATOM 0 HB3 LYS A 28 -13.916 12.512 -19.151 1.00 35.42 H new ATOM 0 HG2 LYS A 28 -15.358 10.561 -17.318 1.00 12.22 H new ATOM 0 HG3 LYS A 28 -15.465 12.306 -17.202 1.00 12.22 H new ATOM 0 HD2 LYS A 28 -16.446 12.451 -19.441 1.00 32.12 H new ATOM 0 HD3 LYS A 28 -16.200 10.736 -19.705 1.00 32.12 H new ATOM 0 HE2 LYS A 28 -18.019 11.978 -17.601 1.00 44.10 H new ATOM 0 HE3 LYS A 28 -18.542 11.211 -19.088 1.00 44.10 H new ATOM 0 HZ1 LYS A 28 -18.778 9.554 -17.514 1.00 52.44 H new ATOM 0 HZ2 LYS A 28 -17.270 9.175 -18.195 1.00 52.44 H new ATOM 0 HZ3 LYS A 28 -17.349 9.960 -16.691 1.00 52.44 H new ATOM 436 N GLY A 29 -11.529 11.660 -19.862 1.00 2.00 N ATOM 437 CA GLY A 29 -10.117 11.814 -20.161 1.00 52.44 C ATOM 438 C GLY A 29 -9.681 10.977 -21.347 1.00 51.13 C ATOM 439 O GLY A 29 -8.549 10.498 -21.394 1.00 64.04 O ATOM 0 H GLY A 29 -12.045 12.535 -19.770 1.00 2.00 H new ATOM 0 HA2 GLY A 29 -9.904 12.864 -20.363 1.00 52.44 H new ATOM 0 HA3 GLY A 29 -9.531 11.532 -19.286 1.00 52.44 H new ATOM 443 N ALA A 30 -10.583 10.799 -22.307 1.00 63.23 N ATOM 444 CA ALA A 30 -10.285 10.014 -23.499 1.00 21.32 C ATOM 445 C ALA A 30 -11.445 10.055 -24.488 1.00 3.52 C ATOM 446 O ALA A 30 -11.239 10.029 -25.702 1.00 3.14 O ATOM 447 CB ALA A 30 -9.966 8.576 -23.117 1.00 64.22 C ATOM 0 H ALA A 30 -11.526 11.188 -22.283 1.00 63.23 H new ATOM 0 HA ALA A 30 -9.413 10.452 -23.984 1.00 21.32 H new ATOM 0 HB1 ALA A 30 -9.745 8.001 -24.016 1.00 64.22 H new ATOM 0 HB2 ALA A 30 -9.101 8.559 -22.454 1.00 64.22 H new ATOM 0 HB3 ALA A 30 -10.823 8.137 -22.606 1.00 64.22 H new ATOM 453 N ILE A 31 -12.663 10.120 -23.961 1.00 70.14 N ATOM 454 CA ILE A 31 -13.855 10.166 -24.799 1.00 31.50 C ATOM 455 C ILE A 31 -14.657 11.438 -24.546 1.00 25.14 C ATOM 456 O ILE A 31 -15.888 11.421 -24.562 1.00 43.41 O ATOM 457 CB ILE A 31 -14.761 8.944 -24.555 1.00 53.34 C ATOM 458 CG1 ILE A 31 -14.019 7.887 -23.736 1.00 33.51 C ATOM 459 CG2 ILE A 31 -15.233 8.362 -25.880 1.00 25.14 C ATOM 460 CD1 ILE A 31 -14.727 6.550 -23.692 1.00 2.30 C ATOM 0 H ILE A 31 -12.850 10.142 -22.959 1.00 70.14 H new ATOM 0 HA ILE A 31 -13.514 10.155 -25.834 1.00 31.50 H new ATOM 0 HB ILE A 31 -15.636 9.265 -23.990 1.00 53.34 H new ATOM 0 HG12 ILE A 31 -13.022 7.748 -24.155 1.00 33.51 H new ATOM 0 HG13 ILE A 31 -13.888 8.254 -22.718 1.00 33.51 H new ATOM 0 HG21 ILE A 31 -15.872 7.499 -25.691 1.00 25.14 H new ATOM 0 HG22 ILE A 31 -15.795 9.117 -26.429 1.00 25.14 H new ATOM 0 HG23 ILE A 31 -14.370 8.052 -26.469 1.00 25.14 H new ATOM 0 HD11 ILE A 31 -14.144 5.849 -23.094 1.00 2.30 H new ATOM 0 HD12 ILE A 31 -15.713 6.675 -23.245 1.00 2.30 H new ATOM 0 HD13 ILE A 31 -14.834 6.161 -24.705 1.00 2.30 H new ATOM 472 N ILE A 32 -13.950 12.539 -24.313 1.00 52.03 N ATOM 473 CA ILE A 32 -14.596 13.821 -24.060 1.00 21.13 C ATOM 474 C ILE A 32 -15.159 14.417 -25.345 1.00 73.44 C ATOM 475 O ILE A 32 -16.076 15.236 -25.313 1.00 35.24 O ATOM 476 CB ILE A 32 -13.618 14.828 -23.426 1.00 13.12 C ATOM 477 CG1 ILE A 32 -14.290 16.194 -23.269 1.00 22.15 C ATOM 478 CG2 ILE A 32 -12.358 14.945 -24.270 1.00 2.55 C ATOM 479 CD1 ILE A 32 -15.554 16.154 -22.439 1.00 73.33 C ATOM 0 H ILE A 32 -12.931 12.569 -24.294 1.00 52.03 H new ATOM 0 HA ILE A 32 -15.412 13.631 -23.363 1.00 21.13 H new ATOM 0 HB ILE A 32 -13.337 14.467 -22.437 1.00 13.12 H new ATOM 0 HG12 ILE A 32 -13.585 16.886 -22.809 1.00 22.15 H new ATOM 0 HG13 ILE A 32 -14.526 16.589 -24.257 1.00 22.15 H new ATOM 0 HG21 ILE A 32 -11.677 15.660 -23.809 1.00 2.55 H new ATOM 0 HG22 ILE A 32 -11.872 13.971 -24.336 1.00 2.55 H new ATOM 0 HG23 ILE A 32 -12.621 15.287 -25.271 1.00 2.55 H new ATOM 0 HD11 ILE A 32 -15.976 17.157 -22.370 1.00 73.33 H new ATOM 0 HD12 ILE A 32 -16.277 15.488 -22.909 1.00 73.33 H new ATOM 0 HD13 ILE A 32 -15.321 15.789 -21.439 1.00 73.33 H new ATOM 491 N GLY A 33 -14.604 13.997 -26.479 1.00 11.34 N ATOM 492 CA GLY A 33 -15.065 14.498 -27.760 1.00 50.32 C ATOM 493 C GLY A 33 -15.906 13.485 -28.510 1.00 73.24 C ATOM 494 O GLY A 33 -16.545 13.815 -29.510 1.00 53.42 O ATOM 0 H GLY A 33 -13.844 13.319 -26.532 1.00 11.34 H new ATOM 0 HA2 GLY A 33 -15.649 15.405 -27.603 1.00 50.32 H new ATOM 0 HA3 GLY A 33 -14.205 14.774 -28.370 1.00 50.32 H new ATOM 498 N LEU A 34 -15.906 12.246 -28.029 1.00 52.55 N ATOM 499 CA LEU A 34 -16.674 11.180 -28.662 1.00 73.14 C ATOM 500 C LEU A 34 -17.859 10.772 -27.792 1.00 64.42 C ATOM 501 O LEU A 34 -18.854 10.246 -28.289 1.00 53.10 O ATOM 502 CB LEU A 34 -15.779 9.968 -28.927 1.00 32.12 C ATOM 503 CG LEU A 34 -16.490 8.618 -29.027 1.00 70.22 C ATOM 504 CD1 LEU A 34 -17.450 8.606 -30.206 1.00 53.53 C ATOM 505 CD2 LEU A 34 -15.477 7.489 -29.152 1.00 5.45 C ATOM 0 H LEU A 34 -15.383 11.955 -27.203 1.00 52.55 H new ATOM 0 HA LEU A 34 -17.057 11.555 -29.611 1.00 73.14 H new ATOM 0 HB2 LEU A 34 -15.235 10.139 -29.856 1.00 32.12 H new ATOM 0 HB3 LEU A 34 -15.038 9.908 -28.130 1.00 32.12 H new ATOM 0 HG LEU A 34 -17.065 8.464 -28.114 1.00 70.22 H new ATOM 0 HD11 LEU A 34 -17.947 7.637 -30.261 1.00 53.53 H new ATOM 0 HD12 LEU A 34 -18.196 9.390 -30.075 1.00 53.53 H new ATOM 0 HD13 LEU A 34 -16.896 8.783 -31.128 1.00 53.53 H new ATOM 0 HD21 LEU A 34 -16.001 6.536 -29.222 1.00 5.45 H new ATOM 0 HD22 LEU A 34 -14.874 7.638 -30.048 1.00 5.45 H new ATOM 0 HD23 LEU A 34 -14.829 7.483 -28.276 1.00 5.45 H new ATOM 517 N MET A 35 -17.744 11.019 -26.492 1.00 3.05 N ATOM 518 CA MET A 35 -18.807 10.680 -25.553 1.00 1.13 C ATOM 519 C MET A 35 -19.337 11.930 -24.857 1.00 61.11 C ATOM 520 O MET A 35 -19.978 11.845 -23.810 1.00 33.12 O ATOM 521 CB MET A 35 -18.298 9.680 -24.512 1.00 52.34 C ATOM 522 CG MET A 35 -19.312 8.605 -24.156 1.00 60.05 C ATOM 523 SD MET A 35 -18.540 7.110 -23.508 1.00 11.12 S ATOM 524 CE MET A 35 -17.712 7.758 -22.058 1.00 14.43 C ATOM 0 H MET A 35 -16.926 11.453 -26.064 1.00 3.05 H new ATOM 0 HA MET A 35 -19.622 10.225 -26.115 1.00 1.13 H new ATOM 0 HB2 MET A 35 -17.393 9.204 -24.890 1.00 52.34 H new ATOM 0 HB3 MET A 35 -18.020 10.220 -23.607 1.00 52.34 H new ATOM 0 HG2 MET A 35 -20.009 8.999 -23.417 1.00 60.05 H new ATOM 0 HG3 MET A 35 -19.895 8.353 -25.042 1.00 60.05 H new ATOM 0 HE1 MET A 35 -17.354 6.932 -21.444 1.00 14.43 H new ATOM 0 HE2 MET A 35 -16.867 8.374 -22.366 1.00 14.43 H new ATOM 0 HE3 MET A 35 -18.411 8.363 -21.480 1.00 14.43 H new ATOM 534 N VAL A 36 -19.064 13.090 -25.446 1.00 53.10 N ATOM 535 CA VAL A 36 -19.515 14.358 -24.883 1.00 65.51 C ATOM 536 C VAL A 36 -19.516 15.458 -25.938 1.00 63.12 C ATOM 537 O VAL A 36 -20.421 16.290 -25.981 1.00 45.32 O ATOM 538 CB VAL A 36 -18.627 14.794 -23.703 1.00 2.33 C ATOM 539 CG1 VAL A 36 -18.550 16.311 -23.625 1.00 11.43 C ATOM 540 CG2 VAL A 36 -19.150 14.211 -22.399 1.00 21.12 C ATOM 0 H VAL A 36 -18.533 13.178 -26.312 1.00 53.10 H new ATOM 0 HA VAL A 36 -20.533 14.202 -24.525 1.00 65.51 H new ATOM 0 HB VAL A 36 -17.620 14.411 -23.868 1.00 2.33 H new ATOM 0 HG11 VAL A 36 -17.918 16.601 -22.785 1.00 11.43 H new ATOM 0 HG12 VAL A 36 -18.126 16.702 -24.550 1.00 11.43 H new ATOM 0 HG13 VAL A 36 -19.551 16.719 -23.484 1.00 11.43 H new ATOM 0 HG21 VAL A 36 -18.510 14.529 -21.576 1.00 21.12 H new ATOM 0 HG22 VAL A 36 -20.167 14.563 -22.225 1.00 21.12 H new ATOM 0 HG23 VAL A 36 -19.148 13.123 -22.460 1.00 21.12 H new ATOM 550 N GLY A 37 -18.494 15.455 -26.790 1.00 14.23 N ATOM 551 CA GLY A 37 -18.397 16.458 -27.834 1.00 62.23 C ATOM 552 C GLY A 37 -19.645 16.526 -28.691 1.00 72.33 C ATOM 553 O GLY A 37 -20.295 17.567 -28.773 1.00 0.13 O ATOM 0 H GLY A 37 -17.733 14.776 -26.775 1.00 14.23 H new ATOM 0 HA2 GLY A 37 -18.218 17.433 -27.381 1.00 62.23 H new ATOM 0 HA3 GLY A 37 -17.537 16.237 -28.467 1.00 62.23 H new ATOM 557 N GLY A 38 -19.981 15.411 -29.335 1.00 11.44 N ATOM 558 CA GLY A 38 -21.158 15.371 -30.183 1.00 22.30 C ATOM 559 C GLY A 38 -22.393 14.904 -29.439 1.00 31.40 C ATOM 560 O GLY A 38 -23.364 14.458 -30.051 1.00 22.31 O ATOM 0 H GLY A 38 -19.459 14.536 -29.284 1.00 11.44 H new ATOM 0 HA2 GLY A 38 -21.339 16.364 -30.595 1.00 22.30 H new ATOM 0 HA3 GLY A 38 -20.972 14.706 -31.026 1.00 22.30 H new ATOM 564 N VAL A 39 -22.357 15.004 -28.114 1.00 33.11 N ATOM 565 CA VAL A 39 -23.482 14.588 -27.285 1.00 72.41 C ATOM 566 C VAL A 39 -24.020 15.753 -26.463 1.00 11.41 C ATOM 567 O VAL A 39 -25.155 16.190 -26.653 1.00 75.31 O ATOM 568 CB VAL A 39 -23.085 13.443 -26.334 1.00 33.10 C ATOM 569 CG1 VAL A 39 -24.264 13.041 -25.460 1.00 40.43 C ATOM 570 CG2 VAL A 39 -22.566 12.251 -27.123 1.00 62.14 C ATOM 0 H VAL A 39 -21.561 15.370 -27.592 1.00 33.11 H new ATOM 0 HA VAL A 39 -24.260 14.235 -27.962 1.00 72.41 H new ATOM 0 HB VAL A 39 -22.285 13.796 -25.684 1.00 33.10 H new ATOM 0 HG11 VAL A 39 -23.964 12.231 -24.795 1.00 40.43 H new ATOM 0 HG12 VAL A 39 -24.586 13.897 -24.867 1.00 40.43 H new ATOM 0 HG13 VAL A 39 -25.087 12.707 -26.091 1.00 40.43 H new ATOM 0 HG21 VAL A 39 -22.290 11.452 -26.435 1.00 62.14 H new ATOM 0 HG22 VAL A 39 -23.344 11.896 -27.799 1.00 62.14 H new ATOM 0 HG23 VAL A 39 -21.692 12.550 -27.701 1.00 62.14 H new ATOM 580 N VAL A 40 -23.197 16.255 -25.548 1.00 23.33 N ATOM 581 CA VAL A 40 -23.589 17.372 -24.697 1.00 24.23 C ATOM 582 C VAL A 40 -22.560 18.496 -24.757 1.00 75.13 C ATOM 583 O VAL A 40 -21.378 18.284 -24.488 1.00 2.13 O ATOM 584 CB VAL A 40 -23.762 16.928 -23.232 1.00 63.30 C ATOM 585 CG1 VAL A 40 -22.491 16.266 -22.721 1.00 32.22 C ATOM 586 CG2 VAL A 40 -24.144 18.113 -22.358 1.00 72.41 C ATOM 0 H VAL A 40 -22.254 15.906 -25.377 1.00 23.33 H new ATOM 0 HA VAL A 40 -24.545 17.737 -25.074 1.00 24.23 H new ATOM 0 HB VAL A 40 -24.568 16.196 -23.185 1.00 63.30 H new ATOM 0 HG11 VAL A 40 -22.632 15.959 -21.685 1.00 32.22 H new ATOM 0 HG12 VAL A 40 -22.266 15.391 -23.331 1.00 32.22 H new ATOM 0 HG13 VAL A 40 -21.663 16.973 -22.781 1.00 32.22 H new ATOM 0 HG21 VAL A 40 -24.262 17.781 -21.326 1.00 72.41 H new ATOM 0 HG22 VAL A 40 -23.361 18.870 -22.408 1.00 72.41 H new ATOM 0 HG23 VAL A 40 -25.083 18.538 -22.712 1.00 72.41 H new