USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 306 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 27 ASN : amide:sc= -0.576 K(o=-3.6,f=-11!) USER MOD Set 1.2: A 35 MET CE :methyl -114:sc= -3.01 (180deg=-0.726) USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.017 X(o=-0.017,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= -0.197 X(o=-0.2,f=-0.0094) USER MOD Single : A 14 HIS : no HE2:sc= 0.0563 X(o=0.056,f=-0.24) USER MOD Single : A 15 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.31) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 170:sc= 0.299 USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= -0.373 (180deg=-1.46!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -0.374 2.796 -5.421 1.00 45.41 N ATOM 2 CA ASP A 1 -0.462 1.807 -6.489 1.00 50.52 C ATOM 3 C ASP A 1 -0.092 0.419 -5.976 1.00 41.35 C ATOM 4 O ASP A 1 -0.949 -0.454 -5.846 1.00 12.23 O ATOM 5 CB ASP A 1 0.454 2.197 -7.651 1.00 33.32 C ATOM 6 CG ASP A 1 -0.170 3.243 -8.554 1.00 64.30 C ATOM 7 OD1 ASP A 1 -0.996 2.869 -9.413 1.00 13.14 O ATOM 8 OD2 ASP A 1 0.169 4.435 -8.402 1.00 34.12 O ATOM 0 H1 ASP A 1 -0.630 3.733 -5.793 1.00 45.41 H new ATOM 0 H2 ASP A 1 -1.027 2.538 -4.654 1.00 45.41 H new ATOM 0 H3 ASP A 1 0.598 2.824 -5.053 1.00 45.41 H new ATOM 0 HA ASP A 1 -1.493 1.781 -6.843 1.00 50.52 H new ATOM 0 HB2 ASP A 1 1.396 2.578 -7.256 1.00 33.32 H new ATOM 0 HB3 ASP A 1 0.690 1.309 -8.237 1.00 33.32 H new ATOM 13 N ALA A 2 1.191 0.223 -5.689 1.00 33.12 N ATOM 14 CA ALA A 2 1.674 -1.058 -5.190 1.00 21.53 C ATOM 15 C ALA A 2 1.338 -1.235 -3.713 1.00 0.53 C ATOM 16 O ALA A 2 1.010 -2.334 -3.269 1.00 34.21 O ATOM 17 CB ALA A 2 3.175 -1.178 -5.409 1.00 71.24 C ATOM 0 H ALA A 2 1.914 0.935 -5.794 1.00 33.12 H new ATOM 0 HA ALA A 2 1.172 -1.849 -5.747 1.00 21.53 H new ATOM 0 HB1 ALA A 2 3.522 -2.140 -5.031 1.00 71.24 H new ATOM 0 HB2 ALA A 2 3.394 -1.106 -6.474 1.00 71.24 H new ATOM 0 HB3 ALA A 2 3.686 -0.374 -4.878 1.00 71.24 H new ATOM 23 N GLU A 3 1.423 -0.144 -2.957 1.00 63.10 N ATOM 24 CA GLU A 3 1.129 -0.180 -1.529 1.00 63.23 C ATOM 25 C GLU A 3 -0.323 -0.578 -1.283 1.00 31.13 C ATOM 26 O GLU A 3 -0.605 -1.493 -0.509 1.00 21.31 O ATOM 27 CB GLU A 3 1.411 1.183 -0.893 1.00 62.33 C ATOM 28 CG GLU A 3 2.779 1.745 -1.241 1.00 41.42 C ATOM 29 CD GLU A 3 3.627 2.018 -0.014 1.00 10.10 C ATOM 30 OE1 GLU A 3 4.840 1.724 -0.055 1.00 21.25 O ATOM 31 OE2 GLU A 3 3.078 2.525 0.986 1.00 1.24 O ATOM 0 H GLU A 3 1.693 0.774 -3.309 1.00 63.10 H new ATOM 0 HA GLU A 3 1.775 -0.928 -1.069 1.00 63.23 H new ATOM 0 HB2 GLU A 3 0.645 1.889 -1.213 1.00 62.33 H new ATOM 0 HB3 GLU A 3 1.329 1.093 0.190 1.00 62.33 H new ATOM 0 HG2 GLU A 3 3.302 1.043 -1.890 1.00 41.42 H new ATOM 0 HG3 GLU A 3 2.655 2.669 -1.805 1.00 41.42 H new ATOM 38 N PHE A 4 -1.241 0.117 -1.946 1.00 35.31 N ATOM 39 CA PHE A 4 -2.665 -0.162 -1.798 1.00 72.24 C ATOM 40 C PHE A 4 -2.968 -1.625 -2.107 1.00 63.54 C ATOM 41 O PHE A 4 -3.872 -2.221 -1.522 1.00 13.55 O ATOM 42 CB PHE A 4 -3.482 0.745 -2.720 1.00 54.05 C ATOM 43 CG PHE A 4 -3.610 2.154 -2.216 1.00 43.11 C ATOM 44 CD1 PHE A 4 -3.268 3.227 -3.024 1.00 31.31 C ATOM 45 CD2 PHE A 4 -4.071 2.406 -0.934 1.00 25.12 C ATOM 46 CE1 PHE A 4 -3.384 4.525 -2.563 1.00 34.40 C ATOM 47 CE2 PHE A 4 -4.189 3.702 -0.468 1.00 33.53 C ATOM 48 CZ PHE A 4 -3.845 4.762 -1.283 1.00 3.13 C ATOM 0 H PHE A 4 -1.025 0.877 -2.591 1.00 35.31 H new ATOM 0 HA PHE A 4 -2.943 0.037 -0.763 1.00 72.24 H new ATOM 0 HB2 PHE A 4 -3.017 0.761 -3.706 1.00 54.05 H new ATOM 0 HB3 PHE A 4 -4.478 0.320 -2.845 1.00 54.05 H new ATOM 0 HD1 PHE A 4 -2.907 3.047 -4.026 1.00 31.31 H new ATOM 0 HD2 PHE A 4 -4.341 1.581 -0.292 1.00 25.12 H new ATOM 0 HE1 PHE A 4 -3.115 5.352 -3.203 1.00 34.40 H new ATOM 0 HE2 PHE A 4 -4.550 3.885 0.533 1.00 33.53 H new ATOM 0 HZ PHE A 4 -3.936 5.775 -0.920 1.00 3.13 H new ATOM 58 N ARG A 5 -2.204 -2.199 -3.032 1.00 54.20 N ATOM 59 CA ARG A 5 -2.391 -3.591 -3.421 1.00 32.41 C ATOM 60 C ARG A 5 -1.448 -4.504 -2.643 1.00 20.31 C ATOM 61 O ARG A 5 -1.133 -5.610 -3.084 1.00 31.20 O ATOM 62 CB ARG A 5 -2.157 -3.759 -4.923 1.00 61.43 C ATOM 63 CG ARG A 5 -3.403 -3.529 -5.763 1.00 65.34 C ATOM 64 CD ARG A 5 -3.946 -2.121 -5.580 1.00 44.32 C ATOM 65 NE ARG A 5 -5.091 -2.089 -4.674 1.00 63.14 N ATOM 66 CZ ARG A 5 -5.938 -1.069 -4.596 1.00 42.10 C ATOM 67 NH1 ARG A 5 -5.769 -0.003 -5.366 1.00 14.53 N ATOM 68 NH2 ARG A 5 -6.956 -1.114 -3.747 1.00 34.52 N ATOM 0 H ARG A 5 -1.450 -1.721 -3.525 1.00 54.20 H new ATOM 0 HA ARG A 5 -3.418 -3.873 -3.187 1.00 32.41 H new ATOM 0 HB2 ARG A 5 -1.381 -3.063 -5.241 1.00 61.43 H new ATOM 0 HB3 ARG A 5 -1.781 -4.764 -5.113 1.00 61.43 H new ATOM 0 HG2 ARG A 5 -3.170 -3.696 -6.815 1.00 65.34 H new ATOM 0 HG3 ARG A 5 -4.168 -4.254 -5.487 1.00 65.34 H new ATOM 0 HD2 ARG A 5 -3.158 -1.476 -5.191 1.00 44.32 H new ATOM 0 HD3 ARG A 5 -4.239 -1.717 -6.549 1.00 44.32 H new ATOM 0 HE ARG A 5 -5.249 -2.894 -4.068 1.00 63.14 H new ATOM 0 HH11 ARG A 5 -4.987 0.035 -6.020 1.00 14.53 H new ATOM 0 HH12 ARG A 5 -6.421 0.779 -5.304 1.00 14.53 H new ATOM 0 HH21 ARG A 5 -7.089 -1.933 -3.153 1.00 34.52 H new ATOM 0 HH22 ARG A 5 -7.606 -0.330 -3.688 1.00 34.52 H new ATOM 82 N HIS A 6 -1.000 -4.034 -1.483 1.00 43.44 N ATOM 83 CA HIS A 6 -0.092 -4.808 -0.644 1.00 13.54 C ATOM 84 C HIS A 6 -0.828 -5.387 0.561 1.00 42.10 C ATOM 85 O HIS A 6 -0.235 -5.601 1.618 1.00 21.05 O ATOM 86 CB HIS A 6 1.071 -3.934 -0.174 1.00 23.04 C ATOM 87 CG HIS A 6 2.372 -4.670 -0.078 1.00 43.13 C ATOM 88 ND1 HIS A 6 3.595 -4.066 -0.281 1.00 2.24 N ATOM 89 CD2 HIS A 6 2.637 -5.968 0.202 1.00 40.55 C ATOM 90 CE1 HIS A 6 4.556 -4.960 -0.131 1.00 72.42 C ATOM 91 NE2 HIS A 6 4.001 -6.122 0.162 1.00 31.53 N ATOM 0 H HIS A 6 -1.251 -3.121 -1.103 1.00 43.44 H new ATOM 0 HA HIS A 6 0.300 -5.633 -1.239 1.00 13.54 H new ATOM 0 HB2 HIS A 6 1.187 -3.096 -0.862 1.00 23.04 H new ATOM 0 HB3 HIS A 6 0.828 -3.514 0.802 1.00 23.04 H new ATOM 0 HD2 HIS A 6 1.911 -6.738 0.417 1.00 40.55 H new ATOM 0 HE1 HIS A 6 5.615 -4.773 -0.231 1.00 72.42 H new ATOM 0 HE2 HIS A 6 4.504 -6.993 0.331 1.00 31.53 H new ATOM 99 N ASP A 7 -2.122 -5.637 0.394 1.00 64.55 N ATOM 100 CA ASP A 7 -2.938 -6.192 1.467 1.00 72.31 C ATOM 101 C ASP A 7 -3.072 -7.705 1.322 1.00 43.03 C ATOM 102 O ASP A 7 -3.660 -8.197 0.358 1.00 4.44 O ATOM 103 CB ASP A 7 -4.323 -5.544 1.470 1.00 12.42 C ATOM 104 CG ASP A 7 -4.446 -4.446 2.509 1.00 42.24 C ATOM 105 OD1 ASP A 7 -4.531 -3.263 2.115 1.00 35.42 O ATOM 106 OD2 ASP A 7 -4.457 -4.769 3.715 1.00 51.04 O ATOM 0 H ASP A 7 -2.628 -5.464 -0.474 1.00 64.55 H new ATOM 0 HA ASP A 7 -2.442 -5.978 2.414 1.00 72.31 H new ATOM 0 HB2 ASP A 7 -4.530 -5.131 0.483 1.00 12.42 H new ATOM 0 HB3 ASP A 7 -5.078 -6.307 1.661 1.00 12.42 H new ATOM 111 N SER A 8 -2.521 -8.438 2.284 1.00 10.44 N ATOM 112 CA SER A 8 -2.574 -9.895 2.261 1.00 12.33 C ATOM 113 C SER A 8 -3.993 -10.391 2.523 1.00 10.35 C ATOM 114 O SER A 8 -4.341 -11.520 2.181 1.00 30.05 O ATOM 115 CB SER A 8 -1.617 -10.478 3.303 1.00 14.40 C ATOM 116 OG SER A 8 -2.323 -10.938 4.442 1.00 1.05 O ATOM 0 H SER A 8 -2.033 -8.047 3.089 1.00 10.44 H new ATOM 0 HA SER A 8 -2.268 -10.230 1.270 1.00 12.33 H new ATOM 0 HB2 SER A 8 -1.053 -11.301 2.864 1.00 14.40 H new ATOM 0 HB3 SER A 8 -0.893 -9.720 3.601 1.00 14.40 H new ATOM 0 HG SER A 8 -1.690 -11.307 5.092 1.00 1.05 H new ATOM 122 N GLY A 9 -4.809 -9.536 3.134 1.00 62.21 N ATOM 123 CA GLY A 9 -6.180 -9.905 3.432 1.00 13.44 C ATOM 124 C GLY A 9 -7.186 -9.007 2.739 1.00 2.21 C ATOM 125 O GLY A 9 -8.263 -9.456 2.346 1.00 23.34 O ATOM 0 H GLY A 9 -4.545 -8.596 3.427 1.00 62.21 H new ATOM 0 HA2 GLY A 9 -6.349 -10.938 3.128 1.00 13.44 H new ATOM 0 HA3 GLY A 9 -6.339 -9.860 4.509 1.00 13.44 H new ATOM 129 N TYR A 10 -6.836 -7.734 2.589 1.00 24.33 N ATOM 130 CA TYR A 10 -7.717 -6.770 1.942 1.00 13.14 C ATOM 131 C TYR A 10 -7.615 -6.872 0.424 1.00 52.34 C ATOM 132 O TYR A 10 -8.528 -6.471 -0.298 1.00 64.44 O ATOM 133 CB TYR A 10 -7.373 -5.350 2.394 1.00 41.52 C ATOM 134 CG TYR A 10 -8.576 -4.545 2.833 1.00 63.41 C ATOM 135 CD1 TYR A 10 -9.501 -4.081 1.906 1.00 33.33 C ATOM 136 CD2 TYR A 10 -8.786 -4.249 4.174 1.00 50.32 C ATOM 137 CE1 TYR A 10 -10.601 -3.346 2.303 1.00 55.44 C ATOM 138 CE2 TYR A 10 -9.884 -3.515 4.579 1.00 20.03 C ATOM 139 CZ TYR A 10 -10.789 -3.066 3.640 1.00 4.51 C ATOM 140 OH TYR A 10 -11.883 -2.333 4.040 1.00 62.11 O ATOM 0 H TYR A 10 -5.948 -7.346 2.907 1.00 24.33 H new ATOM 0 HA TYR A 10 -8.742 -6.999 2.235 1.00 13.14 H new ATOM 0 HB2 TYR A 10 -6.661 -5.403 3.218 1.00 41.52 H new ATOM 0 HB3 TYR A 10 -6.876 -4.828 1.576 1.00 41.52 H new ATOM 0 HD1 TYR A 10 -9.358 -4.299 0.858 1.00 33.33 H new ATOM 0 HD2 TYR A 10 -8.079 -4.598 4.912 1.00 50.32 H new ATOM 0 HE1 TYR A 10 -11.311 -2.992 1.570 1.00 55.44 H new ATOM 0 HE2 TYR A 10 -10.033 -3.294 5.626 1.00 20.03 H new ATOM 0 HH TYR A 10 -11.867 -2.226 5.014 1.00 62.11 H new ATOM 150 N GLU A 11 -6.498 -7.411 -0.053 1.00 65.20 N ATOM 151 CA GLU A 11 -6.275 -7.566 -1.486 1.00 14.12 C ATOM 152 C GLU A 11 -6.217 -9.041 -1.871 1.00 63.32 C ATOM 153 O GLU A 11 -5.179 -9.540 -2.306 1.00 24.23 O ATOM 154 CB GLU A 11 -4.979 -6.867 -1.902 1.00 15.10 C ATOM 155 CG GLU A 11 -4.989 -6.372 -3.338 1.00 52.44 C ATOM 156 CD GLU A 11 -3.933 -7.044 -4.194 1.00 52.33 C ATOM 157 OE1 GLU A 11 -3.614 -8.221 -3.926 1.00 0.00 O ATOM 158 OE2 GLU A 11 -3.426 -6.393 -5.132 1.00 30.04 O ATOM 0 H GLU A 11 -5.733 -7.748 0.532 1.00 65.20 H new ATOM 0 HA GLU A 11 -7.112 -7.104 -2.010 1.00 14.12 H new ATOM 0 HB2 GLU A 11 -4.802 -6.022 -1.236 1.00 15.10 H new ATOM 0 HB3 GLU A 11 -4.145 -7.557 -1.770 1.00 15.10 H new ATOM 0 HG2 GLU A 11 -5.972 -6.551 -3.773 1.00 52.44 H new ATOM 0 HG3 GLU A 11 -4.828 -5.294 -3.348 1.00 52.44 H new ATOM 165 N VAL A 12 -7.339 -9.735 -1.708 1.00 51.40 N ATOM 166 CA VAL A 12 -7.417 -11.152 -2.039 1.00 22.42 C ATOM 167 C VAL A 12 -8.786 -11.510 -2.605 1.00 73.41 C ATOM 168 O VAL A 12 -9.503 -10.650 -3.117 1.00 1.51 O ATOM 169 CB VAL A 12 -7.137 -12.032 -0.806 1.00 33.50 C ATOM 170 CG1 VAL A 12 -6.224 -13.192 -1.174 1.00 34.34 C ATOM 171 CG2 VAL A 12 -6.532 -11.201 0.315 1.00 20.42 C ATOM 0 H VAL A 12 -8.207 -9.338 -1.348 1.00 51.40 H new ATOM 0 HA VAL A 12 -6.654 -11.343 -2.794 1.00 22.42 H new ATOM 0 HB VAL A 12 -8.082 -12.443 -0.452 1.00 33.50 H new ATOM 0 HG11 VAL A 12 -6.037 -13.803 -0.291 1.00 34.34 H new ATOM 0 HG12 VAL A 12 -6.701 -13.801 -1.942 1.00 34.34 H new ATOM 0 HG13 VAL A 12 -5.279 -12.805 -1.554 1.00 34.34 H new ATOM 0 HG21 VAL A 12 -6.341 -11.839 1.178 1.00 20.42 H new ATOM 0 HG22 VAL A 12 -5.595 -10.759 -0.024 1.00 20.42 H new ATOM 0 HG23 VAL A 12 -7.226 -10.409 0.596 1.00 20.42 H new ATOM 181 N HIS A 13 -9.145 -12.787 -2.510 1.00 2.12 N ATOM 182 CA HIS A 13 -10.430 -13.260 -3.012 1.00 11.51 C ATOM 183 C HIS A 13 -11.561 -12.339 -2.562 1.00 22.20 C ATOM 184 O HIS A 13 -12.597 -12.244 -3.221 1.00 2.21 O ATOM 185 CB HIS A 13 -10.696 -14.686 -2.531 1.00 30.22 C ATOM 186 CG HIS A 13 -12.090 -14.898 -2.024 1.00 44.44 C ATOM 187 ND1 HIS A 13 -13.109 -15.391 -2.811 1.00 13.14 N ATOM 188 CD2 HIS A 13 -12.630 -14.681 -0.802 1.00 62.13 C ATOM 189 CE1 HIS A 13 -14.217 -15.467 -2.095 1.00 21.14 C ATOM 190 NE2 HIS A 13 -13.953 -15.043 -0.872 1.00 43.41 N ATOM 0 H HIS A 13 -8.564 -13.512 -2.090 1.00 2.12 H new ATOM 0 HA HIS A 13 -10.391 -13.254 -4.101 1.00 11.51 H new ATOM 0 HB2 HIS A 13 -10.508 -15.378 -3.352 1.00 30.22 H new ATOM 0 HB3 HIS A 13 -9.989 -14.931 -1.738 1.00 30.22 H new ATOM 0 HD2 HIS A 13 -12.116 -14.295 0.066 1.00 62.13 H new ATOM 0 HE1 HIS A 13 -15.176 -15.816 -2.449 1.00 21.14 H new ATOM 0 HE2 HIS A 13 -14.623 -14.993 -0.104 1.00 43.41 H new ATOM 198 N HIS A 14 -11.355 -11.664 -1.435 1.00 72.15 N ATOM 199 CA HIS A 14 -12.358 -10.751 -0.897 1.00 64.44 C ATOM 200 C HIS A 14 -12.955 -9.887 -2.004 1.00 32.33 C ATOM 201 O HIS A 14 -14.135 -9.540 -1.963 1.00 72.31 O ATOM 202 CB HIS A 14 -11.741 -9.863 0.183 1.00 11.42 C ATOM 203 CG HIS A 14 -12.671 -9.570 1.320 1.00 2.42 C ATOM 204 ND1 HIS A 14 -13.979 -9.173 1.140 1.00 72.54 N ATOM 205 CD2 HIS A 14 -12.475 -9.619 2.659 1.00 55.33 C ATOM 206 CE1 HIS A 14 -14.548 -8.990 2.318 1.00 41.23 C ATOM 207 NE2 HIS A 14 -13.657 -9.254 3.256 1.00 2.23 N ATOM 0 H HIS A 14 -10.504 -11.732 -0.877 1.00 72.15 H new ATOM 0 HA HIS A 14 -13.157 -11.346 -0.455 1.00 64.44 H new ATOM 0 HB2 HIS A 14 -10.845 -10.347 0.572 1.00 11.42 H new ATOM 0 HB3 HIS A 14 -11.424 -8.923 -0.268 1.00 11.42 H new ATOM 0 HD1 HIS A 14 -14.436 -9.041 0.238 1.00 72.54 H new ATOM 0 HD2 HIS A 14 -11.560 -9.894 3.163 1.00 55.33 H new ATOM 0 HE1 HIS A 14 -15.568 -8.678 2.485 1.00 41.23 H new ATOM 215 N GLN A 15 -12.132 -9.544 -2.989 1.00 53.42 N ATOM 216 CA GLN A 15 -12.580 -8.719 -4.105 1.00 52.21 C ATOM 217 C GLN A 15 -12.587 -9.518 -5.404 1.00 40.32 C ATOM 218 O GLN A 15 -11.561 -9.646 -6.072 1.00 42.34 O ATOM 219 CB GLN A 15 -11.680 -7.491 -4.252 1.00 52.34 C ATOM 220 CG GLN A 15 -11.417 -6.768 -2.941 1.00 73.20 C ATOM 221 CD GLN A 15 -10.139 -5.954 -2.969 1.00 64.32 C ATOM 222 OE1 GLN A 15 -10.138 -4.767 -2.644 1.00 43.30 O ATOM 223 NE2 GLN A 15 -9.040 -6.590 -3.359 1.00 71.41 N ATOM 0 H GLN A 15 -11.152 -9.824 -3.037 1.00 53.42 H new ATOM 0 HA GLN A 15 -13.598 -8.391 -3.896 1.00 52.21 H new ATOM 0 HB2 GLN A 15 -10.728 -7.798 -4.685 1.00 52.34 H new ATOM 0 HB3 GLN A 15 -12.140 -6.796 -4.955 1.00 52.34 H new ATOM 0 HG2 GLN A 15 -12.257 -6.110 -2.719 1.00 73.20 H new ATOM 0 HG3 GLN A 15 -11.361 -7.498 -2.133 1.00 73.20 H new ATOM 0 HE21 GLN A 15 -9.086 -7.575 -3.620 1.00 71.41 H new ATOM 0 HE22 GLN A 15 -8.150 -6.093 -3.398 1.00 71.41 H new ATOM 232 N LYS A 16 -13.750 -10.054 -5.757 1.00 32.21 N ATOM 233 CA LYS A 16 -13.892 -10.840 -6.977 1.00 33.44 C ATOM 234 C LYS A 16 -15.066 -10.340 -7.813 1.00 24.01 C ATOM 235 O LYS A 16 -15.340 -10.865 -8.893 1.00 30.11 O ATOM 236 CB LYS A 16 -14.090 -12.319 -6.635 1.00 2.04 C ATOM 237 CG LYS A 16 -14.060 -13.233 -7.847 1.00 51.03 C ATOM 238 CD LYS A 16 -13.716 -14.661 -7.461 1.00 23.54 C ATOM 239 CE LYS A 16 -14.224 -15.656 -8.493 1.00 20.32 C ATOM 240 NZ LYS A 16 -14.230 -17.049 -7.965 1.00 15.21 N ATOM 0 H LYS A 16 -14.609 -9.958 -5.215 1.00 32.21 H new ATOM 0 HA LYS A 16 -12.978 -10.727 -7.561 1.00 33.44 H new ATOM 0 HB2 LYS A 16 -13.312 -12.629 -5.937 1.00 2.04 H new ATOM 0 HB3 LYS A 16 -15.044 -12.440 -6.123 1.00 2.04 H new ATOM 0 HG2 LYS A 16 -15.031 -13.213 -8.343 1.00 51.03 H new ATOM 0 HG3 LYS A 16 -13.328 -12.863 -8.565 1.00 51.03 H new ATOM 0 HD2 LYS A 16 -12.635 -14.761 -7.359 1.00 23.54 H new ATOM 0 HD3 LYS A 16 -14.151 -14.891 -6.488 1.00 23.54 H new ATOM 0 HE2 LYS A 16 -15.233 -15.379 -8.798 1.00 20.32 H new ATOM 0 HE3 LYS A 16 -13.597 -15.608 -9.383 1.00 20.32 H new ATOM 0 HZ1 LYS A 16 -14.583 -17.697 -8.698 1.00 15.21 H new ATOM 0 HZ2 LYS A 16 -13.263 -17.323 -7.697 1.00 15.21 H new ATOM 0 HZ3 LYS A 16 -14.848 -17.101 -7.130 1.00 15.21 H new ATOM 254 N LEU A 17 -15.754 -9.322 -7.309 1.00 0.04 N ATOM 255 CA LEU A 17 -16.898 -8.749 -8.010 1.00 65.24 C ATOM 256 C LEU A 17 -16.657 -7.278 -8.334 1.00 63.20 C ATOM 257 O LEU A 17 -17.209 -6.745 -9.297 1.00 2.04 O ATOM 258 CB LEU A 17 -18.165 -8.897 -7.167 1.00 1.34 C ATOM 259 CG LEU A 17 -18.301 -10.202 -6.382 1.00 62.21 C ATOM 260 CD1 LEU A 17 -19.471 -10.124 -5.414 1.00 50.11 C ATOM 261 CD2 LEU A 17 -18.469 -11.380 -7.331 1.00 52.33 C ATOM 0 H LEU A 17 -15.540 -8.876 -6.417 1.00 0.04 H new ATOM 0 HA LEU A 17 -17.028 -9.292 -8.946 1.00 65.24 H new ATOM 0 HB2 LEU A 17 -18.207 -8.067 -6.462 1.00 1.34 H new ATOM 0 HB3 LEU A 17 -19.028 -8.801 -7.825 1.00 1.34 H new ATOM 0 HG LEU A 17 -17.389 -10.353 -5.805 1.00 62.21 H new ATOM 0 HD11 LEU A 17 -19.552 -11.062 -4.865 1.00 50.11 H new ATOM 0 HD12 LEU A 17 -19.309 -9.305 -4.713 1.00 50.11 H new ATOM 0 HD13 LEU A 17 -20.392 -9.949 -5.970 1.00 50.11 H new ATOM 0 HD21 LEU A 17 -18.564 -12.300 -6.755 1.00 52.33 H new ATOM 0 HD22 LEU A 17 -19.365 -11.236 -7.935 1.00 52.33 H new ATOM 0 HD23 LEU A 17 -17.598 -11.449 -7.983 1.00 52.33 H new ATOM 273 N VAL A 18 -15.827 -6.628 -7.525 1.00 0.54 N ATOM 274 CA VAL A 18 -15.510 -5.219 -7.726 1.00 41.25 C ATOM 275 C VAL A 18 -14.392 -5.048 -8.749 1.00 73.12 C ATOM 276 O VAL A 18 -13.945 -3.932 -9.015 1.00 62.55 O ATOM 277 CB VAL A 18 -15.091 -4.543 -6.407 1.00 73.12 C ATOM 278 CG1 VAL A 18 -13.704 -5.004 -5.988 1.00 21.34 C ATOM 279 CG2 VAL A 18 -15.140 -3.029 -6.546 1.00 5.11 C ATOM 0 H VAL A 18 -15.362 -7.055 -6.724 1.00 0.54 H new ATOM 0 HA VAL A 18 -16.416 -4.741 -8.098 1.00 41.25 H new ATOM 0 HB VAL A 18 -15.795 -4.836 -5.628 1.00 73.12 H new ATOM 0 HG11 VAL A 18 -13.425 -4.516 -5.054 1.00 21.34 H new ATOM 0 HG12 VAL A 18 -13.707 -6.085 -5.846 1.00 21.34 H new ATOM 0 HG13 VAL A 18 -12.984 -4.742 -6.763 1.00 21.34 H new ATOM 0 HG21 VAL A 18 -14.841 -2.567 -5.605 1.00 5.11 H new ATOM 0 HG22 VAL A 18 -14.459 -2.714 -7.337 1.00 5.11 H new ATOM 0 HG23 VAL A 18 -16.155 -2.719 -6.796 1.00 5.11 H new ATOM 289 N PHE A 19 -13.945 -6.162 -9.320 1.00 53.33 N ATOM 290 CA PHE A 19 -12.879 -6.136 -10.314 1.00 43.04 C ATOM 291 C PHE A 19 -13.450 -5.992 -11.722 1.00 34.12 C ATOM 292 O PHE A 19 -12.771 -6.266 -12.711 1.00 45.22 O ATOM 293 CB PHE A 19 -12.036 -7.410 -10.222 1.00 4.51 C ATOM 294 CG PHE A 19 -10.652 -7.255 -10.786 1.00 52.10 C ATOM 295 CD1 PHE A 19 -9.794 -6.284 -10.295 1.00 71.03 C ATOM 296 CD2 PHE A 19 -10.210 -8.080 -11.807 1.00 71.25 C ATOM 297 CE1 PHE A 19 -8.520 -6.139 -10.812 1.00 32.31 C ATOM 298 CE2 PHE A 19 -8.937 -7.940 -12.328 1.00 33.44 C ATOM 299 CZ PHE A 19 -8.092 -6.968 -11.830 1.00 62.02 C ATOM 0 H PHE A 19 -14.305 -7.093 -9.111 1.00 53.33 H new ATOM 0 HA PHE A 19 -12.246 -5.273 -10.108 1.00 43.04 H new ATOM 0 HB2 PHE A 19 -11.962 -7.713 -9.177 1.00 4.51 H new ATOM 0 HB3 PHE A 19 -12.548 -8.214 -10.751 1.00 4.51 H new ATOM 0 HD1 PHE A 19 -10.124 -5.633 -9.499 1.00 71.03 H new ATOM 0 HD2 PHE A 19 -10.867 -8.841 -12.201 1.00 71.25 H new ATOM 0 HE1 PHE A 19 -7.861 -5.379 -10.420 1.00 32.31 H new ATOM 0 HE2 PHE A 19 -8.604 -8.590 -13.124 1.00 33.44 H new ATOM 0 HZ PHE A 19 -7.098 -6.856 -12.236 1.00 62.02 H new ATOM 309 N PHE A 20 -14.705 -5.561 -11.803 1.00 62.32 N ATOM 310 CA PHE A 20 -15.370 -5.382 -13.089 1.00 22.24 C ATOM 311 C PHE A 20 -16.446 -4.305 -12.999 1.00 14.35 C ATOM 312 O PHE A 20 -17.348 -4.241 -13.834 1.00 23.40 O ATOM 313 CB PHE A 20 -15.990 -6.701 -13.554 1.00 32.20 C ATOM 314 CG PHE A 20 -15.310 -7.293 -14.755 1.00 44.11 C ATOM 315 CD1 PHE A 20 -15.519 -6.762 -16.018 1.00 22.32 C ATOM 316 CD2 PHE A 20 -14.461 -8.380 -14.622 1.00 31.15 C ATOM 317 CE1 PHE A 20 -14.894 -7.304 -17.125 1.00 62.12 C ATOM 318 CE2 PHE A 20 -13.833 -8.926 -15.725 1.00 50.21 C ATOM 319 CZ PHE A 20 -14.051 -8.388 -16.979 1.00 24.04 C ATOM 0 H PHE A 20 -15.281 -5.329 -10.994 1.00 62.32 H new ATOM 0 HA PHE A 20 -14.622 -5.064 -13.816 1.00 22.24 H new ATOM 0 HB2 PHE A 20 -15.953 -7.419 -12.735 1.00 32.20 H new ATOM 0 HB3 PHE A 20 -17.042 -6.537 -13.787 1.00 32.20 H new ATOM 0 HD1 PHE A 20 -16.178 -5.915 -16.138 1.00 22.32 H new ATOM 0 HD2 PHE A 20 -14.288 -8.806 -13.645 1.00 31.15 H new ATOM 0 HE1 PHE A 20 -15.065 -6.880 -18.104 1.00 62.12 H new ATOM 0 HE2 PHE A 20 -13.172 -9.772 -15.607 1.00 50.21 H new ATOM 0 HZ PHE A 20 -13.563 -8.814 -17.843 1.00 24.04 H new ATOM 329 N ALA A 21 -16.345 -3.459 -11.978 1.00 71.40 N ATOM 330 CA ALA A 21 -17.308 -2.384 -11.779 1.00 13.44 C ATOM 331 C ALA A 21 -16.623 -1.022 -11.805 1.00 12.51 C ATOM 332 O ALA A 21 -17.220 -0.025 -12.210 1.00 12.30 O ATOM 333 CB ALA A 21 -18.052 -2.577 -10.465 1.00 64.52 C ATOM 0 H ALA A 21 -15.606 -3.498 -11.276 1.00 71.40 H new ATOM 0 HA ALA A 21 -18.026 -2.417 -12.599 1.00 13.44 H new ATOM 0 HB1 ALA A 21 -18.768 -1.766 -10.330 1.00 64.52 H new ATOM 0 HB2 ALA A 21 -18.581 -3.530 -10.483 1.00 64.52 H new ATOM 0 HB3 ALA A 21 -17.340 -2.573 -9.640 1.00 64.52 H new ATOM 339 N GLU A 22 -15.368 -0.987 -11.370 1.00 25.22 N ATOM 340 CA GLU A 22 -14.603 0.254 -11.343 1.00 1.13 C ATOM 341 C GLU A 22 -14.044 0.579 -12.725 1.00 11.30 C ATOM 342 O GLU A 22 -12.833 0.713 -12.901 1.00 10.41 O ATOM 343 CB GLU A 22 -13.461 0.154 -10.330 1.00 23.54 C ATOM 344 CG GLU A 22 -13.113 1.478 -9.670 1.00 75.32 C ATOM 345 CD GLU A 22 -12.844 2.578 -10.678 1.00 12.31 C ATOM 346 OE1 GLU A 22 -11.694 2.676 -11.155 1.00 52.41 O ATOM 347 OE2 GLU A 22 -13.782 3.341 -10.989 1.00 54.21 O ATOM 0 H GLU A 22 -14.859 -1.804 -11.031 1.00 25.22 H new ATOM 0 HA GLU A 22 -15.275 1.058 -11.043 1.00 1.13 H new ATOM 0 HB2 GLU A 22 -13.733 -0.566 -9.558 1.00 23.54 H new ATOM 0 HB3 GLU A 22 -12.575 -0.236 -10.831 1.00 23.54 H new ATOM 0 HG2 GLU A 22 -13.932 1.781 -9.017 1.00 75.32 H new ATOM 0 HG3 GLU A 22 -12.234 1.345 -9.039 1.00 75.32 H new ATOM 354 N ASP A 23 -14.935 0.704 -13.702 1.00 72.13 N ATOM 355 CA ASP A 23 -14.532 1.014 -15.069 1.00 75.43 C ATOM 356 C ASP A 23 -15.752 1.184 -15.970 1.00 10.03 C ATOM 357 O ASP A 23 -15.793 2.078 -16.815 1.00 1.43 O ATOM 358 CB ASP A 23 -13.627 -0.090 -15.619 1.00 51.43 C ATOM 359 CG ASP A 23 -13.306 0.104 -17.088 1.00 63.12 C ATOM 360 OD1 ASP A 23 -12.183 0.556 -17.396 1.00 1.53 O ATOM 361 OD2 ASP A 23 -14.177 -0.198 -17.930 1.00 63.24 O ATOM 0 H ASP A 23 -15.941 0.596 -13.573 1.00 72.13 H new ATOM 0 HA ASP A 23 -13.979 1.953 -15.055 1.00 75.43 H new ATOM 0 HB2 ASP A 23 -12.699 -0.114 -15.047 1.00 51.43 H new ATOM 0 HB3 ASP A 23 -14.112 -1.056 -15.480 1.00 51.43 H new ATOM 366 N VAL A 24 -16.744 0.319 -15.784 1.00 12.14 N ATOM 367 CA VAL A 24 -17.965 0.374 -16.579 1.00 31.42 C ATOM 368 C VAL A 24 -18.877 1.502 -16.109 1.00 62.33 C ATOM 369 O VAL A 24 -19.115 2.465 -16.837 1.00 35.42 O ATOM 370 CB VAL A 24 -18.738 -0.957 -16.513 1.00 23.22 C ATOM 371 CG1 VAL A 24 -19.984 -0.895 -17.383 1.00 21.03 C ATOM 372 CG2 VAL A 24 -17.843 -2.114 -16.931 1.00 45.24 C ATOM 0 H VAL A 24 -16.726 -0.428 -15.090 1.00 12.14 H new ATOM 0 HA VAL A 24 -17.663 0.560 -17.610 1.00 31.42 H new ATOM 0 HB VAL A 24 -19.052 -1.124 -15.483 1.00 23.22 H new ATOM 0 HG11 VAL A 24 -20.517 -1.844 -17.324 1.00 21.03 H new ATOM 0 HG12 VAL A 24 -20.633 -0.092 -17.033 1.00 21.03 H new ATOM 0 HG13 VAL A 24 -19.697 -0.704 -18.417 1.00 21.03 H new ATOM 0 HG21 VAL A 24 -18.405 -3.046 -16.878 1.00 45.24 H new ATOM 0 HG22 VAL A 24 -17.497 -1.956 -17.953 1.00 45.24 H new ATOM 0 HG23 VAL A 24 -16.984 -2.170 -16.262 1.00 45.24 H new ATOM 382 N GLY A 25 -19.384 1.376 -14.887 1.00 20.44 N ATOM 383 CA GLY A 25 -20.264 2.392 -14.340 1.00 41.01 C ATOM 384 C GLY A 25 -19.636 3.772 -14.355 1.00 61.51 C ATOM 385 O GLY A 25 -20.340 4.781 -14.364 1.00 2.32 O ATOM 0 H GLY A 25 -19.201 0.588 -14.266 1.00 20.44 H new ATOM 0 HA2 GLY A 25 -21.191 2.412 -14.913 1.00 41.01 H new ATOM 0 HA3 GLY A 25 -20.527 2.127 -13.316 1.00 41.01 H new ATOM 389 N SER A 26 -18.307 3.815 -14.356 1.00 54.35 N ATOM 390 CA SER A 26 -17.584 5.082 -14.365 1.00 34.43 C ATOM 391 C SER A 26 -16.780 5.239 -15.651 1.00 42.44 C ATOM 392 O SER A 26 -15.564 5.055 -15.662 1.00 45.21 O ATOM 393 CB SER A 26 -16.654 5.170 -13.154 1.00 24.43 C ATOM 394 OG SER A 26 -16.040 3.920 -12.890 1.00 73.30 O ATOM 0 H SER A 26 -17.710 2.988 -14.351 1.00 54.35 H new ATOM 0 HA SER A 26 -18.314 5.890 -14.313 1.00 34.43 H new ATOM 0 HB2 SER A 26 -15.888 5.924 -13.334 1.00 24.43 H new ATOM 0 HB3 SER A 26 -17.220 5.493 -12.280 1.00 24.43 H new ATOM 0 HG SER A 26 -15.330 4.038 -12.225 1.00 73.30 H new ATOM 400 N ASN A 27 -17.469 5.582 -16.735 1.00 33.22 N ATOM 401 CA ASN A 27 -16.820 5.764 -18.028 1.00 11.10 C ATOM 402 C ASN A 27 -16.525 7.239 -18.286 1.00 34.34 C ATOM 403 O ASN A 27 -16.616 7.713 -19.418 1.00 63.02 O ATOM 404 CB ASN A 27 -17.701 5.205 -19.147 1.00 42.44 C ATOM 405 CG ASN A 27 -16.920 4.346 -20.123 1.00 30.33 C ATOM 406 OD1 ASN A 27 -16.129 4.852 -20.918 1.00 42.32 O ATOM 407 ND2 ASN A 27 -17.140 3.037 -20.065 1.00 51.44 N ATOM 0 H ASN A 27 -18.477 5.739 -16.743 1.00 33.22 H new ATOM 0 HA ASN A 27 -15.875 5.220 -18.012 1.00 11.10 H new ATOM 0 HB2 ASN A 27 -18.506 4.614 -18.711 1.00 42.44 H new ATOM 0 HB3 ASN A 27 -18.167 6.030 -19.686 1.00 42.44 H new ATOM 0 HD21 ASN A 27 -16.644 2.408 -20.696 1.00 51.44 H new ATOM 0 HD22 ASN A 27 -17.805 2.661 -19.389 1.00 51.44 H new ATOM 414 N LYS A 28 -16.172 7.959 -17.227 1.00 2.52 N ATOM 415 CA LYS A 28 -15.861 9.380 -17.337 1.00 34.14 C ATOM 416 C LYS A 28 -14.534 9.701 -16.657 1.00 61.22 C ATOM 417 O LYS A 28 -13.696 8.821 -16.465 1.00 5.33 O ATOM 418 CB LYS A 28 -16.981 10.217 -16.714 1.00 2.23 C ATOM 419 CG LYS A 28 -17.064 10.094 -15.202 1.00 63.51 C ATOM 420 CD LYS A 28 -17.984 8.959 -14.785 1.00 74.12 C ATOM 421 CE LYS A 28 -17.665 8.469 -13.381 1.00 43.02 C ATOM 422 NZ LYS A 28 -18.844 7.828 -12.735 1.00 42.53 N ATOM 0 H LYS A 28 -16.094 7.582 -16.282 1.00 2.52 H new ATOM 0 HA LYS A 28 -15.776 9.627 -18.395 1.00 34.14 H new ATOM 0 HB2 LYS A 28 -16.830 11.264 -16.977 1.00 2.23 H new ATOM 0 HB3 LYS A 28 -17.934 9.914 -17.148 1.00 2.23 H new ATOM 0 HG2 LYS A 28 -16.067 9.924 -14.795 1.00 63.51 H new ATOM 0 HG3 LYS A 28 -17.426 11.031 -14.779 1.00 63.51 H new ATOM 0 HD2 LYS A 28 -19.020 9.295 -14.827 1.00 74.12 H new ATOM 0 HD3 LYS A 28 -17.887 8.133 -15.490 1.00 74.12 H new ATOM 0 HE2 LYS A 28 -16.842 7.756 -13.424 1.00 43.02 H new ATOM 0 HE3 LYS A 28 -17.328 9.308 -12.772 1.00 43.02 H new ATOM 0 HZ1 LYS A 28 -18.521 7.097 -12.070 1.00 42.53 H new ATOM 0 HZ2 LYS A 28 -19.391 8.547 -12.220 1.00 42.53 H new ATOM 0 HZ3 LYS A 28 -19.445 7.392 -13.464 1.00 42.53 H new ATOM 436 N GLY A 29 -14.350 10.967 -16.295 1.00 35.24 N ATOM 437 CA GLY A 29 -13.123 11.380 -15.639 1.00 54.43 C ATOM 438 C GLY A 29 -11.886 10.945 -16.398 1.00 63.22 C ATOM 439 O GLY A 29 -10.855 10.644 -15.797 1.00 42.21 O ATOM 0 H GLY A 29 -15.029 11.714 -16.444 1.00 35.24 H new ATOM 0 HA2 GLY A 29 -13.118 12.465 -15.534 1.00 54.43 H new ATOM 0 HA3 GLY A 29 -13.094 10.962 -14.633 1.00 54.43 H new ATOM 443 N ALA A 30 -11.988 10.909 -17.723 1.00 24.12 N ATOM 444 CA ALA A 30 -10.868 10.507 -18.565 1.00 24.05 C ATOM 445 C ALA A 30 -11.204 10.674 -20.042 1.00 71.45 C ATOM 446 O ALA A 30 -10.335 10.994 -20.854 1.00 71.31 O ATOM 447 CB ALA A 30 -10.476 9.067 -18.270 1.00 21.44 C ATOM 0 H ALA A 30 -12.835 11.153 -18.236 1.00 24.12 H new ATOM 0 HA ALA A 30 -10.023 11.156 -18.336 1.00 24.05 H new ATOM 0 HB1 ALA A 30 -9.638 8.780 -18.906 1.00 21.44 H new ATOM 0 HB2 ALA A 30 -10.185 8.976 -17.224 1.00 21.44 H new ATOM 0 HB3 ALA A 30 -11.324 8.411 -18.469 1.00 21.44 H new ATOM 453 N ILE A 31 -12.469 10.454 -20.385 1.00 0.11 N ATOM 454 CA ILE A 31 -12.919 10.581 -21.765 1.00 72.44 C ATOM 455 C ILE A 31 -13.980 11.668 -21.900 1.00 72.52 C ATOM 456 O ILE A 31 -14.937 11.524 -22.662 1.00 31.32 O ATOM 457 CB ILE A 31 -13.491 9.252 -22.295 1.00 41.31 C ATOM 458 CG1 ILE A 31 -13.129 8.104 -21.351 1.00 70.43 C ATOM 459 CG2 ILE A 31 -12.973 8.975 -23.699 1.00 32.04 C ATOM 460 CD1 ILE A 31 -13.364 6.734 -21.948 1.00 74.14 C ATOM 0 H ILE A 31 -13.200 10.187 -19.726 1.00 0.11 H new ATOM 0 HA ILE A 31 -12.046 10.854 -22.358 1.00 72.44 H new ATOM 0 HB ILE A 31 -14.577 9.332 -22.339 1.00 41.31 H new ATOM 0 HG12 ILE A 31 -12.080 8.193 -21.069 1.00 70.43 H new ATOM 0 HG13 ILE A 31 -13.714 8.198 -20.436 1.00 70.43 H new ATOM 0 HG21 ILE A 31 -13.386 8.033 -24.060 1.00 32.04 H new ATOM 0 HG22 ILE A 31 -13.277 9.783 -24.365 1.00 32.04 H new ATOM 0 HG23 ILE A 31 -11.885 8.911 -23.679 1.00 32.04 H new ATOM 0 HD11 ILE A 31 -13.086 5.969 -21.223 1.00 74.14 H new ATOM 0 HD12 ILE A 31 -14.418 6.625 -22.205 1.00 74.14 H new ATOM 0 HD13 ILE A 31 -12.758 6.620 -22.847 1.00 74.14 H new ATOM 472 N ILE A 32 -13.803 12.755 -21.158 1.00 20.15 N ATOM 473 CA ILE A 32 -14.744 13.868 -21.197 1.00 24.34 C ATOM 474 C ILE A 32 -14.578 14.683 -22.474 1.00 44.32 C ATOM 475 O ILE A 32 -15.497 15.380 -22.902 1.00 44.40 O ATOM 476 CB ILE A 32 -14.567 14.797 -19.981 1.00 72.11 C ATOM 477 CG1 ILE A 32 -15.499 16.005 -20.095 1.00 74.24 C ATOM 478 CG2 ILE A 32 -13.119 15.248 -19.865 1.00 62.11 C ATOM 479 CD1 ILE A 32 -16.960 15.631 -20.214 1.00 54.33 C ATOM 0 H ILE A 32 -13.017 12.889 -20.522 1.00 20.15 H new ATOM 0 HA ILE A 32 -15.745 13.437 -21.172 1.00 24.34 H new ATOM 0 HB ILE A 32 -14.828 14.244 -19.079 1.00 72.11 H new ATOM 0 HG12 ILE A 32 -15.365 16.641 -19.220 1.00 74.24 H new ATOM 0 HG13 ILE A 32 -15.211 16.595 -20.965 1.00 74.24 H new ATOM 0 HG21 ILE A 32 -13.010 15.904 -19.001 1.00 62.11 H new ATOM 0 HG22 ILE A 32 -12.475 14.377 -19.743 1.00 62.11 H new ATOM 0 HG23 ILE A 32 -12.832 15.787 -20.768 1.00 62.11 H new ATOM 0 HD11 ILE A 32 -17.562 16.536 -20.291 1.00 54.33 H new ATOM 0 HD12 ILE A 32 -17.108 15.020 -21.105 1.00 54.33 H new ATOM 0 HD13 ILE A 32 -17.264 15.067 -19.332 1.00 54.33 H new ATOM 491 N GLY A 33 -13.398 14.589 -23.081 1.00 11.51 N ATOM 492 CA GLY A 33 -13.133 15.322 -24.305 1.00 52.41 C ATOM 493 C GLY A 33 -13.148 14.430 -25.530 1.00 73.21 C ATOM 494 O GLY A 33 -13.159 14.916 -26.662 1.00 21.01 O ATOM 0 H GLY A 33 -12.622 14.018 -22.747 1.00 11.51 H new ATOM 0 HA2 GLY A 33 -13.879 16.108 -24.423 1.00 52.41 H new ATOM 0 HA3 GLY A 33 -12.163 15.812 -24.228 1.00 52.41 H new ATOM 498 N LEU A 34 -13.148 13.120 -25.306 1.00 3.40 N ATOM 499 CA LEU A 34 -13.160 12.157 -26.401 1.00 62.31 C ATOM 500 C LEU A 34 -14.505 11.441 -26.482 1.00 45.31 C ATOM 501 O LEU A 34 -14.893 10.947 -27.540 1.00 23.20 O ATOM 502 CB LEU A 34 -12.036 11.135 -26.220 1.00 42.10 C ATOM 503 CG LEU A 34 -10.871 11.238 -27.205 1.00 25.43 C ATOM 504 CD1 LEU A 34 -9.787 10.229 -26.856 1.00 42.12 C ATOM 505 CD2 LEU A 34 -11.358 11.028 -28.631 1.00 44.21 C ATOM 0 H LEU A 34 -13.140 12.701 -24.376 1.00 3.40 H new ATOM 0 HA LEU A 34 -13.002 12.701 -27.332 1.00 62.31 H new ATOM 0 HB2 LEU A 34 -11.641 11.234 -25.209 1.00 42.10 H new ATOM 0 HB3 LEU A 34 -12.464 10.136 -26.298 1.00 42.10 H new ATOM 0 HG LEU A 34 -10.445 12.239 -27.132 1.00 25.43 H new ATOM 0 HD11 LEU A 34 -8.966 10.317 -27.567 1.00 42.12 H new ATOM 0 HD12 LEU A 34 -9.418 10.425 -25.849 1.00 42.12 H new ATOM 0 HD13 LEU A 34 -10.200 9.221 -26.901 1.00 42.12 H new ATOM 0 HD21 LEU A 34 -10.515 11.105 -29.318 1.00 44.21 H new ATOM 0 HD22 LEU A 34 -11.810 10.040 -28.719 1.00 44.21 H new ATOM 0 HD23 LEU A 34 -12.098 11.789 -28.878 1.00 44.21 H new ATOM 517 N MET A 35 -15.212 11.392 -25.358 1.00 4.52 N ATOM 518 CA MET A 35 -16.515 10.741 -25.303 1.00 21.40 C ATOM 519 C MET A 35 -17.605 11.736 -24.917 1.00 24.35 C ATOM 520 O MET A 35 -18.686 11.347 -24.474 1.00 63.21 O ATOM 521 CB MET A 35 -16.488 9.582 -24.304 1.00 10.42 C ATOM 522 CG MET A 35 -17.250 8.355 -24.776 1.00 63.41 C ATOM 523 SD MET A 35 -16.716 6.845 -23.947 1.00 34.12 S ATOM 524 CE MET A 35 -17.081 7.249 -22.240 1.00 41.24 C ATOM 0 H MET A 35 -14.904 11.795 -24.473 1.00 4.52 H new ATOM 0 HA MET A 35 -16.740 10.351 -26.295 1.00 21.40 H new ATOM 0 HB2 MET A 35 -15.452 9.304 -24.111 1.00 10.42 H new ATOM 0 HB3 MET A 35 -16.910 9.919 -23.357 1.00 10.42 H new ATOM 0 HG2 MET A 35 -18.315 8.504 -24.601 1.00 63.41 H new ATOM 0 HG3 MET A 35 -17.117 8.241 -25.852 1.00 63.41 H new ATOM 0 HE1 MET A 35 -16.151 7.316 -21.675 1.00 41.24 H new ATOM 0 HE2 MET A 35 -17.602 8.205 -22.196 1.00 41.24 H new ATOM 0 HE3 MET A 35 -17.712 6.472 -21.809 1.00 41.24 H new ATOM 534 N VAL A 36 -17.313 13.021 -25.086 1.00 50.41 N ATOM 535 CA VAL A 36 -18.268 14.072 -24.756 1.00 14.13 C ATOM 536 C VAL A 36 -17.913 15.378 -25.457 1.00 1.43 C ATOM 537 O VAL A 36 -18.790 16.101 -25.928 1.00 60.22 O ATOM 538 CB VAL A 36 -18.330 14.318 -23.236 1.00 64.44 C ATOM 539 CG1 VAL A 36 -18.633 15.779 -22.943 1.00 71.13 C ATOM 540 CG2 VAL A 36 -19.366 13.410 -22.592 1.00 21.53 C ATOM 0 H VAL A 36 -16.422 13.360 -25.450 1.00 50.41 H new ATOM 0 HA VAL A 36 -19.244 13.732 -25.102 1.00 14.13 H new ATOM 0 HB VAL A 36 -17.356 14.082 -22.807 1.00 64.44 H new ATOM 0 HG11 VAL A 36 -18.673 15.933 -21.865 1.00 71.13 H new ATOM 0 HG12 VAL A 36 -17.850 16.406 -23.371 1.00 71.13 H new ATOM 0 HG13 VAL A 36 -19.593 16.047 -23.383 1.00 71.13 H new ATOM 0 HG21 VAL A 36 -19.397 13.597 -21.519 1.00 21.53 H new ATOM 0 HG22 VAL A 36 -20.346 13.613 -23.024 1.00 21.53 H new ATOM 0 HG23 VAL A 36 -19.099 12.369 -22.771 1.00 21.53 H new ATOM 550 N GLY A 37 -16.618 15.676 -25.522 1.00 35.41 N ATOM 551 CA GLY A 37 -16.169 16.895 -26.168 1.00 10.15 C ATOM 552 C GLY A 37 -16.690 17.026 -27.585 1.00 43.50 C ATOM 553 O GLY A 37 -17.387 17.986 -27.911 1.00 75.21 O ATOM 0 H GLY A 37 -15.873 15.095 -25.139 1.00 35.41 H new ATOM 0 HA2 GLY A 37 -16.496 17.754 -25.583 1.00 10.15 H new ATOM 0 HA3 GLY A 37 -15.079 16.915 -26.182 1.00 10.15 H new ATOM 557 N GLY A 38 -16.348 16.060 -28.431 1.00 72.55 N ATOM 558 CA GLY A 38 -16.793 16.091 -29.812 1.00 51.35 C ATOM 559 C GLY A 38 -18.096 15.345 -30.019 1.00 61.52 C ATOM 560 O GLY A 38 -18.428 14.959 -31.140 1.00 63.32 O ATOM 0 H GLY A 38 -15.771 15.256 -28.185 1.00 72.55 H new ATOM 0 HA2 GLY A 38 -16.917 17.127 -30.127 1.00 51.35 H new ATOM 0 HA3 GLY A 38 -16.023 15.654 -30.448 1.00 51.35 H new ATOM 564 N VAL A 39 -18.837 15.138 -28.935 1.00 4.32 N ATOM 565 CA VAL A 39 -20.110 14.432 -29.002 1.00 13.00 C ATOM 566 C VAL A 39 -21.262 15.335 -28.576 1.00 35.11 C ATOM 567 O VAL A 39 -22.190 15.582 -29.347 1.00 43.10 O ATOM 568 CB VAL A 39 -20.102 13.174 -28.113 1.00 13.31 C ATOM 569 CG1 VAL A 39 -21.447 12.465 -28.178 1.00 44.52 C ATOM 570 CG2 VAL A 39 -18.976 12.238 -28.525 1.00 12.31 C ATOM 0 H VAL A 39 -18.577 15.450 -27.999 1.00 4.32 H new ATOM 0 HA VAL A 39 -20.252 14.133 -30.040 1.00 13.00 H new ATOM 0 HB VAL A 39 -19.930 13.480 -27.081 1.00 13.31 H new ATOM 0 HG11 VAL A 39 -21.422 11.579 -27.544 1.00 44.52 H new ATOM 0 HG12 VAL A 39 -22.230 13.138 -27.830 1.00 44.52 H new ATOM 0 HG13 VAL A 39 -21.653 12.169 -29.207 1.00 44.52 H new ATOM 0 HG21 VAL A 39 -18.985 11.355 -27.887 1.00 12.31 H new ATOM 0 HG22 VAL A 39 -19.115 11.937 -29.563 1.00 12.31 H new ATOM 0 HG23 VAL A 39 -18.020 12.751 -28.421 1.00 12.31 H new ATOM 580 N VAL A 40 -21.197 15.826 -27.342 1.00 74.23 N ATOM 581 CA VAL A 40 -22.234 16.703 -26.813 1.00 55.40 C ATOM 582 C VAL A 40 -21.640 18.011 -26.303 1.00 1.24 C ATOM 583 O VAL A 40 -20.530 18.034 -25.769 1.00 35.42 O ATOM 584 CB VAL A 40 -23.014 16.026 -25.670 1.00 64.11 C ATOM 585 CG1 VAL A 40 -22.082 15.684 -24.517 1.00 43.35 C ATOM 586 CG2 VAL A 40 -24.152 16.919 -25.200 1.00 20.55 C ATOM 0 H VAL A 40 -20.437 15.631 -26.690 1.00 74.23 H new ATOM 0 HA VAL A 40 -22.919 16.914 -27.634 1.00 55.40 H new ATOM 0 HB VAL A 40 -23.443 15.097 -26.046 1.00 64.11 H new ATOM 0 HG11 VAL A 40 -22.651 15.207 -23.719 1.00 43.35 H new ATOM 0 HG12 VAL A 40 -21.305 15.004 -24.866 1.00 43.35 H new ATOM 0 HG13 VAL A 40 -21.621 16.597 -24.139 1.00 43.35 H new ATOM 0 HG21 VAL A 40 -24.692 16.425 -24.392 1.00 20.55 H new ATOM 0 HG22 VAL A 40 -23.747 17.865 -24.840 1.00 20.55 H new ATOM 0 HG23 VAL A 40 -24.833 17.108 -26.030 1.00 20.55 H new ATOM 596 N ILE A 41 -22.385 19.098 -26.470 1.00 11.41 N ATOM 597 CA ILE A 41 -21.932 20.410 -26.024 1.00 51.34 C ATOM 598 C ILE A 41 -23.032 21.142 -25.263 1.00 50.42 C ATOM 599 O ILE A 41 -24.078 21.467 -25.824 1.00 12.53 O ATOM 600 CB ILE A 41 -21.477 21.281 -27.210 1.00 40.33 C ATOM 601 CG1 ILE A 41 -20.373 20.573 -27.998 1.00 21.44 C ATOM 602 CG2 ILE A 41 -20.996 22.638 -26.717 1.00 72.12 C ATOM 603 CD1 ILE A 41 -20.896 19.660 -29.084 1.00 73.14 C ATOM 0 H ILE A 41 -23.305 19.096 -26.911 1.00 11.41 H new ATOM 0 HA ILE A 41 -21.084 20.242 -25.360 1.00 51.34 H new ATOM 0 HB ILE A 41 -22.328 21.437 -27.873 1.00 40.33 H new ATOM 0 HG12 ILE A 41 -19.721 21.322 -28.447 1.00 21.44 H new ATOM 0 HG13 ILE A 41 -19.762 19.991 -27.308 1.00 21.44 H new ATOM 0 HG21 ILE A 41 -20.678 23.242 -27.567 1.00 72.12 H new ATOM 0 HG22 ILE A 41 -21.808 23.145 -26.196 1.00 72.12 H new ATOM 0 HG23 ILE A 41 -20.157 22.501 -26.035 1.00 72.12 H new ATOM 0 HD11 ILE A 41 -20.058 19.192 -29.601 1.00 73.14 H new ATOM 0 HD12 ILE A 41 -21.525 18.888 -28.639 1.00 73.14 H new ATOM 0 HD13 ILE A 41 -21.483 20.240 -29.796 1.00 73.14 H new ATOM 615 N ALA A 42 -22.787 21.400 -23.983 1.00 1.43 N ATOM 616 CA ALA A 42 -23.755 22.098 -23.145 1.00 64.11 C ATOM 617 C ALA A 42 -23.489 23.599 -23.133 1.00 52.55 C ATOM 618 O ALA A 42 -23.302 24.215 -24.184 1.00 72.51 O ATOM 619 CB ALA A 42 -23.723 21.543 -21.729 1.00 10.45 C ATOM 0 H ALA A 42 -21.926 21.136 -23.503 1.00 1.43 H new ATOM 0 HA ALA A 42 -24.747 21.935 -23.565 1.00 64.11 H new ATOM 0 HB1 ALA A 42 -24.450 22.073 -21.114 1.00 10.45 H new ATOM 0 HB2 ALA A 42 -23.969 20.481 -21.749 1.00 10.45 H new ATOM 0 HB3 ALA A 42 -22.726 21.676 -21.308 1.00 10.45 H new TER 625 ALA A 42