USER MOD reduce.3.24.130724 H: found=0, std=0, add=309, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 311 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 SER OG : rot -58:sc= 0.0107 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 43:sc= 0.0778 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 37:sc= 0.589 USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= 0.492 (180deg=-0.659) USER MOD Single : A 40 HIS : no HD1:sc= -0.0907 X(o=-0.091,f=-0.032) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.025 X(o=0.025,f=0) USER MOD Single : A 48 THR OG1 : rot 48:sc= 0.371 USER MOD Single : A 51 ASN : amide:sc= -0.06 X(o=-0.06,f=-0.0086) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 6 58.085 -16.941 16.137 1.00-10.00 N ATOM 64 CA SER A 6 57.656 -18.218 16.712 1.00-10.00 C ATOM 65 C SER A 6 58.388 -18.501 18.027 1.00-10.00 C ATOM 66 O SER A 6 59.020 -19.547 18.189 1.00-10.00 O ATOM 67 CB SER A 6 57.885 -19.361 15.714 1.00-10.00 C ATOM 68 OG SER A 6 57.168 -20.524 16.095 1.00-10.00 O ATOM 0 HA SER A 6 56.589 -18.151 16.926 1.00-10.00 H new ATOM 0 HB2 SER A 6 57.571 -19.047 14.718 1.00-10.00 H new ATOM 0 HB3 SER A 6 58.949 -19.589 15.656 1.00-10.00 H new ATOM 0 HG SER A 6 57.443 -20.798 16.995 1.00-10.00 H new ATOM 74 N LYS A 7 58.295 -17.557 18.964 1.00-10.00 N ATOM 75 CA LYS A 7 58.944 -17.696 20.267 1.00-10.00 C ATOM 76 C LYS A 7 58.281 -16.794 21.310 1.00-10.00 C ATOM 77 O LYS A 7 58.007 -15.621 21.045 1.00-10.00 O ATOM 78 CB LYS A 7 60.440 -17.368 20.160 1.00-10.00 C ATOM 79 CG LYS A 7 60.738 -16.046 19.465 1.00-10.00 C ATOM 80 CD LYS A 7 61.091 -14.955 20.465 1.00-10.00 C ATOM 81 CE LYS A 7 61.830 -13.801 19.802 1.00-10.00 C ATOM 82 NZ LYS A 7 60.957 -13.041 18.863 1.00-10.00 N ATOM 0 H LYS A 7 57.776 -16.687 18.844 1.00-10.00 H new ATOM 0 HA LYS A 7 58.832 -18.731 20.589 1.00-10.00 H new ATOM 0 HB2 LYS A 7 60.868 -17.344 21.162 1.00-10.00 H new ATOM 0 HB3 LYS A 7 60.939 -18.172 19.619 1.00-10.00 H new ATOM 0 HG2 LYS A 7 61.563 -16.180 18.765 1.00-10.00 H new ATOM 0 HG3 LYS A 7 59.871 -15.738 18.880 1.00-10.00 H new ATOM 0 HD2 LYS A 7 60.180 -14.582 20.934 1.00-10.00 H new ATOM 0 HD3 LYS A 7 61.709 -15.375 21.259 1.00-10.00 H new ATOM 0 HE2 LYS A 7 62.210 -13.126 20.569 1.00-10.00 H new ATOM 0 HE3 LYS A 7 62.694 -14.187 19.261 1.00-10.00 H new ATOM 0 HZ1 LYS A 7 61.501 -12.265 18.434 1.00-10.00 H new ATOM 0 HZ2 LYS A 7 60.614 -13.678 18.115 1.00-10.00 H new ATOM 0 HZ3 LYS A 7 60.146 -12.649 19.383 1.00-10.00 H new ATOM 96 N SER A 8 58.024 -17.352 22.494 1.00-10.00 N ATOM 97 CA SER A 8 57.391 -16.602 23.579 1.00-10.00 C ATOM 98 C SER A 8 57.904 -17.062 24.944 1.00-10.00 C ATOM 99 O SER A 8 58.290 -18.220 25.115 1.00-10.00 O ATOM 100 CB SER A 8 55.869 -16.759 23.515 1.00-10.00 C ATOM 101 OG SER A 8 55.229 -15.939 24.480 1.00-10.00 O ATOM 0 H SER A 8 58.245 -18.321 22.726 1.00-10.00 H new ATOM 0 HA SER A 8 57.650 -15.551 23.454 1.00-10.00 H new ATOM 0 HB2 SER A 8 55.515 -16.496 22.518 1.00-10.00 H new ATOM 0 HB3 SER A 8 55.601 -17.802 23.684 1.00-10.00 H new ATOM 0 HG SER A 8 54.258 -16.057 24.417 1.00-10.00 H new ATOM 107 N SER A 9 57.899 -16.147 25.912 1.00-10.00 N ATOM 108 CA SER A 9 58.358 -16.453 27.268 1.00-10.00 C ATOM 109 C SER A 9 57.201 -16.944 28.137 1.00-10.00 C ATOM 110 O SER A 9 56.218 -16.227 28.339 1.00-10.00 O ATOM 111 CB SER A 9 59.009 -15.220 27.907 1.00-10.00 C ATOM 112 OG SER A 9 58.212 -14.060 27.719 1.00-10.00 O ATOM 0 H SER A 9 57.582 -15.186 25.783 1.00-10.00 H new ATOM 0 HA SER A 9 59.101 -17.248 27.200 1.00-10.00 H new ATOM 0 HB2 SER A 9 59.155 -15.395 28.973 1.00-10.00 H new ATOM 0 HB3 SER A 9 59.996 -15.060 27.472 1.00-10.00 H new ATOM 0 HG SER A 9 57.270 -14.282 27.871 1.00-10.00 H new ATOM 118 N VAL A 10 57.324 -18.170 28.646 1.00-10.00 N ATOM 119 CA VAL A 10 56.289 -18.761 29.493 1.00-10.00 C ATOM 120 C VAL A 10 56.623 -18.604 30.978 1.00-10.00 C ATOM 121 O VAL A 10 57.795 -18.553 31.357 1.00-10.00 O ATOM 122 CB VAL A 10 56.081 -20.259 29.164 1.00-10.00 C ATOM 123 CG1 VAL A 10 57.262 -21.095 29.639 1.00-10.00 C ATOM 124 CG2 VAL A 10 54.781 -20.767 29.772 1.00-10.00 C ATOM 0 H VAL A 10 58.131 -18.773 28.486 1.00-10.00 H new ATOM 0 HA VAL A 10 55.364 -18.223 29.284 1.00-10.00 H new ATOM 0 HB VAL A 10 56.015 -20.359 28.081 1.00-10.00 H new ATOM 0 HG11 VAL A 10 57.088 -22.143 29.394 1.00-10.00 H new ATOM 0 HG12 VAL A 10 58.172 -20.753 29.145 1.00-10.00 H new ATOM 0 HG13 VAL A 10 57.373 -20.988 30.718 1.00-10.00 H new ATOM 0 HG21 VAL A 10 54.654 -21.822 29.529 1.00-10.00 H new ATOM 0 HG22 VAL A 10 54.814 -20.645 30.855 1.00-10.00 H new ATOM 0 HG23 VAL A 10 53.944 -20.198 29.368 1.00-10.00 H new ATOM 134 N VAL A 11 55.577 -18.527 31.809 1.00-10.00 N ATOM 135 CA VAL A 11 55.728 -18.375 33.260 1.00-10.00 C ATOM 136 C VAL A 11 56.200 -16.966 33.638 1.00-10.00 C ATOM 137 O VAL A 11 56.782 -16.251 32.819 1.00-10.00 O ATOM 138 CB VAL A 11 56.687 -19.444 33.855 1.00-10.00 C ATOM 139 CG1 VAL A 11 58.026 -18.843 34.274 1.00-10.00 C ATOM 140 CG2 VAL A 11 56.029 -20.148 35.032 1.00-10.00 C ATOM 0 H VAL A 11 54.607 -18.568 31.496 1.00-10.00 H new ATOM 0 HA VAL A 11 54.740 -18.529 33.693 1.00-10.00 H new ATOM 0 HB VAL A 11 56.890 -20.173 33.071 1.00-10.00 H new ATOM 0 HG11 VAL A 11 58.664 -19.626 34.684 1.00-10.00 H new ATOM 0 HG12 VAL A 11 58.512 -18.396 33.406 1.00-10.00 H new ATOM 0 HG13 VAL A 11 57.860 -18.077 35.031 1.00-10.00 H new ATOM 0 HG21 VAL A 11 56.712 -20.894 35.438 1.00-10.00 H new ATOM 0 HG22 VAL A 11 55.788 -19.418 35.804 1.00-10.00 H new ATOM 0 HG23 VAL A 11 55.114 -20.638 34.698 1.00-10.00 H new ATOM 150 N GLY A 12 55.940 -16.579 34.887 1.00-10.00 N ATOM 151 CA GLY A 12 56.339 -15.263 35.364 1.00-10.00 C ATOM 152 C GLY A 12 56.870 -15.291 36.787 1.00-10.00 C ATOM 153 O GLY A 12 56.833 -16.329 37.450 1.00-10.00 O ATOM 0 H GLY A 12 55.459 -17.155 35.578 1.00-10.00 H new ATOM 0 HA2 GLY A 12 57.105 -14.858 34.703 1.00-10.00 H new ATOM 0 HA3 GLY A 12 55.485 -14.588 35.313 1.00-10.00 H new ATOM 157 N TRP A 13 57.367 -14.147 37.255 1.00-10.00 N ATOM 158 CA TRP A 13 57.912 -14.039 38.609 1.00-10.00 C ATOM 159 C TRP A 13 57.846 -12.596 39.119 1.00-10.00 C ATOM 160 O TRP A 13 57.866 -11.649 38.330 1.00-10.00 O ATOM 161 CB TRP A 13 59.361 -14.543 38.643 1.00-10.00 C ATOM 162 CG TRP A 13 60.240 -13.919 37.599 1.00-10.00 C ATOM 163 CD1 TRP A 13 60.971 -12.772 37.722 1.00-10.00 C ATOM 164 CD2 TRP A 13 60.478 -14.407 36.273 1.00-10.00 C ATOM 165 NE1 TRP A 13 61.650 -12.519 36.555 1.00-10.00 N ATOM 166 CE2 TRP A 13 61.364 -13.508 35.651 1.00-10.00 C ATOM 167 CE3 TRP A 13 60.029 -15.519 35.552 1.00-10.00 C ATOM 168 CZ2 TRP A 13 61.808 -13.686 34.343 1.00-10.00 C ATOM 169 CZ3 TRP A 13 60.470 -15.694 34.254 1.00-10.00 C ATOM 170 CH2 TRP A 13 61.352 -14.782 33.662 1.00-10.00 C ATOM 0 H TRP A 13 57.404 -13.281 36.717 1.00-10.00 H new ATOM 0 HA TRP A 13 57.303 -14.661 39.265 1.00-10.00 H new ATOM 0 HB2 TRP A 13 59.783 -14.343 39.628 1.00-10.00 H new ATOM 0 HB3 TRP A 13 59.364 -15.625 38.509 1.00-10.00 H new ATOM 0 HD1 TRP A 13 61.010 -12.154 38.607 1.00-10.00 H new ATOM 0 HE1 TRP A 13 62.267 -11.724 36.389 1.00-10.00 H new ATOM 0 HE3 TRP A 13 59.350 -16.228 36.002 1.00-10.00 H new ATOM 0 HZ2 TRP A 13 62.488 -12.984 33.883 1.00-10.00 H new ATOM 0 HZ3 TRP A 13 60.129 -16.548 33.687 1.00-10.00 H new ATOM 0 HH2 TRP A 13 61.680 -14.947 32.646 1.00-10.00 H new ATOM 181 N PRO A 14 57.768 -12.411 40.453 1.00-10.00 N ATOM 182 CA PRO A 14 57.700 -11.078 41.067 1.00-10.00 C ATOM 183 C PRO A 14 59.034 -10.331 41.002 1.00-10.00 C ATOM 184 O PRO A 14 60.075 -10.921 40.704 1.00-10.00 O ATOM 185 CB PRO A 14 57.323 -11.380 42.518 1.00-10.00 C ATOM 186 CG PRO A 14 57.862 -12.746 42.769 1.00-10.00 C ATOM 187 CD PRO A 14 57.740 -13.487 41.465 1.00-10.00 C ATOM 0 HA PRO A 14 56.992 -10.428 40.552 1.00-10.00 H new ATOM 0 HB2 PRO A 14 57.758 -10.650 43.201 1.00-10.00 H new ATOM 0 HB3 PRO A 14 56.243 -11.347 42.662 1.00-10.00 H new ATOM 0 HG2 PRO A 14 58.901 -12.701 43.097 1.00-10.00 H new ATOM 0 HG3 PRO A 14 57.301 -13.248 43.557 1.00-10.00 H new ATOM 0 HD2 PRO A 14 58.560 -14.191 41.325 1.00-10.00 H new ATOM 0 HD3 PRO A 14 56.815 -14.061 41.415 1.00-10.00 H new ATOM 195 N ALA A 15 58.993 -9.028 41.286 1.00-10.00 N ATOM 196 CA ALA A 15 60.193 -8.196 41.262 1.00-10.00 C ATOM 197 C ALA A 15 60.667 -7.861 42.679 1.00-10.00 C ATOM 198 O ALA A 15 60.897 -6.695 43.008 1.00-10.00 O ATOM 199 CB ALA A 15 59.932 -6.924 40.463 1.00-10.00 C ATOM 0 H ALA A 15 58.140 -8.528 41.535 1.00-10.00 H new ATOM 0 HA ALA A 15 60.989 -8.759 40.775 1.00-10.00 H new ATOM 0 HB1 ALA A 15 60.833 -6.310 40.451 1.00-10.00 H new ATOM 0 HB2 ALA A 15 59.658 -7.186 39.441 1.00-10.00 H new ATOM 0 HB3 ALA A 15 59.118 -6.365 40.925 1.00-10.00 H new ATOM 205 N VAL A 16 60.815 -8.898 43.511 1.00-10.00 N ATOM 206 CA VAL A 16 61.267 -8.743 44.899 1.00-10.00 C ATOM 207 C VAL A 16 60.198 -8.086 45.778 1.00-10.00 C ATOM 208 O VAL A 16 59.663 -8.725 46.685 1.00-10.00 O ATOM 209 CB VAL A 16 62.582 -7.933 44.994 1.00-10.00 C ATOM 210 CG1 VAL A 16 63.081 -7.884 46.431 1.00-10.00 C ATOM 211 CG2 VAL A 16 63.645 -8.525 44.079 1.00-10.00 C ATOM 0 H VAL A 16 60.626 -9.864 43.243 1.00-10.00 H new ATOM 0 HA VAL A 16 61.453 -9.751 45.269 1.00-10.00 H new ATOM 0 HB VAL A 16 62.378 -6.913 44.668 1.00-10.00 H new ATOM 0 HG11 VAL A 16 64.006 -7.310 46.475 1.00-10.00 H new ATOM 0 HG12 VAL A 16 62.329 -7.409 47.061 1.00-10.00 H new ATOM 0 HG13 VAL A 16 63.265 -8.898 46.787 1.00-10.00 H new ATOM 0 HG21 VAL A 16 64.562 -7.941 44.161 1.00-10.00 H new ATOM 0 HG22 VAL A 16 63.844 -9.556 44.372 1.00-10.00 H new ATOM 0 HG23 VAL A 16 63.291 -8.503 43.048 1.00-10.00 H new ATOM 221 N ARG A 17 59.898 -6.810 45.508 1.00-10.00 N ATOM 222 CA ARG A 17 58.895 -6.050 46.268 1.00-10.00 C ATOM 223 C ARG A 17 59.458 -5.522 47.594 1.00-10.00 C ATOM 224 O ARG A 17 59.238 -4.360 47.941 1.00-10.00 O ATOM 225 CB ARG A 17 57.641 -6.896 46.528 1.00-10.00 C ATOM 226 CG ARG A 17 56.353 -6.086 46.532 1.00-10.00 C ATOM 227 CD ARG A 17 55.629 -6.178 47.869 1.00-10.00 C ATOM 228 NE ARG A 17 56.408 -5.588 48.962 1.00-10.00 N ATOM 229 CZ ARG A 17 57.045 -6.289 49.904 1.00-10.00 C ATOM 230 NH1 ARG A 17 57.021 -7.617 49.898 1.00-10.00 N ATOM 231 NH2 ARG A 17 57.715 -5.656 50.855 1.00-10.00 N ATOM 0 H ARG A 17 60.341 -6.276 44.760 1.00-10.00 H new ATOM 0 HA ARG A 17 58.620 -5.192 45.655 1.00-10.00 H new ATOM 0 HB2 ARG A 17 57.571 -7.671 45.765 1.00-10.00 H new ATOM 0 HB3 ARG A 17 57.746 -7.402 47.488 1.00-10.00 H new ATOM 0 HG2 ARG A 17 56.580 -5.043 46.313 1.00-10.00 H new ATOM 0 HG3 ARG A 17 55.697 -6.443 45.738 1.00-10.00 H new ATOM 0 HD2 ARG A 17 54.667 -5.670 47.795 1.00-10.00 H new ATOM 0 HD3 ARG A 17 55.421 -7.223 48.096 1.00-10.00 H new ATOM 0 HE ARG A 17 56.468 -4.571 49.006 1.00-10.00 H new ATOM 0 HH11 ARG A 17 56.512 -8.115 49.168 1.00-10.00 H new ATOM 0 HH12 ARG A 17 57.512 -8.139 50.624 1.00-10.00 H new ATOM 0 HH21 ARG A 17 57.743 -4.636 50.867 1.00-10.00 H new ATOM 0 HH22 ARG A 17 58.203 -6.188 51.576 1.00-10.00 H new ATOM 245 N GLU A 18 60.173 -6.379 48.332 1.00-10.00 N ATOM 246 CA GLU A 18 60.763 -6.003 49.623 1.00-10.00 C ATOM 247 C GLU A 18 61.396 -4.610 49.576 1.00-10.00 C ATOM 248 O GLU A 18 61.063 -3.744 50.388 1.00-10.00 O ATOM 249 CB GLU A 18 61.811 -7.039 50.048 1.00-10.00 C ATOM 250 CG GLU A 18 61.406 -7.858 51.267 1.00-10.00 C ATOM 251 CD GLU A 18 59.957 -8.305 51.224 1.00-10.00 C ATOM 252 OE1 GLU A 18 59.621 -9.157 50.376 1.00-10.00 O ATOM 253 OE2 GLU A 18 59.155 -7.796 52.035 1.00-10.00 O ATOM 0 H GLU A 18 60.358 -7.343 48.055 1.00-10.00 H new ATOM 0 HA GLU A 18 59.957 -5.978 50.357 1.00-10.00 H new ATOM 0 HB2 GLU A 18 61.999 -7.715 49.214 1.00-10.00 H new ATOM 0 HB3 GLU A 18 62.749 -6.527 50.261 1.00-10.00 H new ATOM 0 HG2 GLU A 18 62.049 -8.735 51.339 1.00-10.00 H new ATOM 0 HG3 GLU A 18 61.572 -7.266 52.167 1.00-10.00 H new ATOM 260 N ARG A 19 62.302 -4.398 48.621 1.00-10.00 N ATOM 261 CA ARG A 19 62.971 -3.107 48.474 1.00-10.00 C ATOM 262 C ARG A 19 62.101 -2.128 47.680 1.00-10.00 C ATOM 263 O ARG A 19 62.425 -1.765 46.547 1.00-10.00 O ATOM 264 CB ARG A 19 64.336 -3.286 47.797 1.00-10.00 C ATOM 265 CG ARG A 19 65.268 -2.094 47.970 1.00-10.00 C ATOM 266 CD ARG A 19 65.545 -1.805 49.439 1.00-10.00 C ATOM 267 NE ARG A 19 65.139 -0.448 49.817 1.00-10.00 N ATOM 268 CZ ARG A 19 65.968 0.597 49.890 1.00-10.00 C ATOM 269 NH1 ARG A 19 67.257 0.464 49.601 1.00-10.00 N ATOM 270 NH2 ARG A 19 65.502 1.783 50.250 1.00-10.00 N ATOM 0 H ARG A 19 62.588 -5.102 47.940 1.00-10.00 H new ATOM 0 HA ARG A 19 63.128 -2.689 49.468 1.00-10.00 H new ATOM 0 HB2 ARG A 19 64.819 -4.175 48.203 1.00-10.00 H new ATOM 0 HB3 ARG A 19 64.183 -3.464 46.733 1.00-10.00 H new ATOM 0 HG2 ARG A 19 66.208 -2.289 47.454 1.00-10.00 H new ATOM 0 HG3 ARG A 19 64.825 -1.214 47.503 1.00-10.00 H new ATOM 0 HD2 ARG A 19 65.013 -2.528 50.057 1.00-10.00 H new ATOM 0 HD3 ARG A 19 66.608 -1.935 49.640 1.00-10.00 H new ATOM 0 HE ARG A 19 64.156 -0.291 50.040 1.00-10.00 H new ATOM 0 HH11 ARG A 19 67.625 -0.444 49.319 1.00-10.00 H new ATOM 0 HH12 ARG A 19 67.879 1.270 49.661 1.00-10.00 H new ATOM 0 HH21 ARG A 19 64.513 1.897 50.471 1.00-10.00 H new ATOM 0 HH22 ARG A 19 66.132 2.583 50.307 1.00-10.00 H new ATOM 284 N MET A 20 60.992 -1.707 48.289 1.00-10.00 N ATOM 285 CA MET A 20 60.064 -0.771 47.649 1.00-10.00 C ATOM 286 C MET A 20 60.186 0.637 48.241 1.00-10.00 C ATOM 287 O MET A 20 60.090 1.629 47.516 1.00-10.00 O ATOM 288 CB MET A 20 58.619 -1.276 47.771 1.00-10.00 C ATOM 289 CG MET A 20 58.162 -1.535 49.201 1.00-10.00 C ATOM 290 SD MET A 20 57.162 -0.190 49.865 1.00-10.00 S ATOM 291 CE MET A 20 55.515 -0.757 49.450 1.00-10.00 C ATOM 0 H MET A 20 60.713 -1.999 49.226 1.00-10.00 H new ATOM 0 HA MET A 20 60.331 -0.714 46.594 1.00-10.00 H new ATOM 0 HB2 MET A 20 57.952 -0.544 47.316 1.00-10.00 H new ATOM 0 HB3 MET A 20 58.519 -2.198 47.198 1.00-10.00 H new ATOM 0 HG2 MET A 20 57.586 -2.460 49.232 1.00-10.00 H new ATOM 0 HG3 MET A 20 59.035 -1.681 49.837 1.00-10.00 H new ATOM 0 HE1 MET A 20 54.781 -0.029 49.797 1.00-10.00 H new ATOM 0 HE2 MET A 20 55.431 -0.870 48.369 1.00-10.00 H new ATOM 0 HE3 MET A 20 55.329 -1.717 49.931 1.00-10.00 H new ATOM 301 N ARG A 21 60.401 0.720 49.557 1.00-10.00 N ATOM 302 CA ARG A 21 60.537 2.010 50.232 1.00-10.00 C ATOM 303 C ARG A 21 61.903 2.631 49.945 1.00-10.00 C ATOM 304 O ARG A 21 62.934 2.106 50.368 1.00-10.00 O ATOM 305 CB ARG A 21 60.339 1.849 51.745 1.00-10.00 C ATOM 306 CG ARG A 21 59.224 2.715 52.312 1.00-10.00 C ATOM 307 CD ARG A 21 59.537 4.198 52.167 1.00-10.00 C ATOM 308 NE ARG A 21 60.428 4.679 53.225 1.00-10.00 N ATOM 309 CZ ARG A 21 60.017 5.257 54.356 1.00-10.00 C ATOM 310 NH1 ARG A 21 58.723 5.407 54.611 1.00-10.00 N ATOM 311 NH2 ARG A 21 60.911 5.680 55.239 1.00-10.00 N ATOM 0 H ARG A 21 60.484 -0.089 50.173 1.00-10.00 H new ATOM 0 HA ARG A 21 59.766 2.676 49.846 1.00-10.00 H new ATOM 0 HB2 ARG A 21 60.122 0.804 51.965 1.00-10.00 H new ATOM 0 HB3 ARG A 21 61.272 2.095 52.253 1.00-10.00 H new ATOM 0 HG2 ARG A 21 58.290 2.488 51.799 1.00-10.00 H new ATOM 0 HG3 ARG A 21 59.076 2.475 53.365 1.00-10.00 H new ATOM 0 HD2 ARG A 21 59.998 4.377 51.196 1.00-10.00 H new ATOM 0 HD3 ARG A 21 58.608 4.768 52.189 1.00-10.00 H new ATOM 0 HE ARG A 21 61.432 4.564 53.088 1.00-10.00 H new ATOM 0 HH11 ARG A 21 58.029 5.079 53.939 1.00-10.00 H new ATOM 0 HH12 ARG A 21 58.422 5.850 55.479 1.00-10.00 H new ATOM 0 HH21 ARG A 21 61.907 5.563 55.052 1.00-10.00 H new ATOM 0 HH22 ARG A 21 60.603 6.122 56.105 1.00-10.00 H new ATOM 325 N ARG A 22 61.900 3.749 49.220 1.00-10.00 N ATOM 326 CA ARG A 22 63.138 4.446 48.866 1.00-10.00 C ATOM 327 C ARG A 22 63.725 5.191 50.066 1.00-10.00 C ATOM 328 O ARG A 22 64.921 5.087 50.342 1.00-10.00 O ATOM 329 CB ARG A 22 62.884 5.425 47.715 1.00-10.00 C ATOM 330 CG ARG A 22 64.076 5.602 46.787 1.00-10.00 C ATOM 331 CD ARG A 22 63.677 5.447 45.327 1.00-10.00 C ATOM 332 NE ARG A 22 64.120 6.579 44.511 1.00-10.00 N ATOM 333 CZ ARG A 22 63.496 7.757 44.455 1.00-10.00 C ATOM 334 NH1 ARG A 22 62.401 7.979 45.172 1.00-10.00 N ATOM 335 NH2 ARG A 22 63.974 8.718 43.677 1.00-10.00 N ATOM 0 H ARG A 22 61.053 4.193 48.865 1.00-10.00 H new ATOM 0 HA ARG A 22 63.862 3.696 48.548 1.00-10.00 H new ATOM 0 HB2 ARG A 22 62.031 5.075 47.133 1.00-10.00 H new ATOM 0 HB3 ARG A 22 62.610 6.395 48.129 1.00-10.00 H new ATOM 0 HG2 ARG A 22 64.515 6.587 46.942 1.00-10.00 H new ATOM 0 HG3 ARG A 22 64.843 4.868 47.035 1.00-10.00 H new ATOM 0 HD2 ARG A 22 64.105 4.526 44.931 1.00-10.00 H new ATOM 0 HD3 ARG A 22 62.593 5.352 45.256 1.00-10.00 H new ATOM 0 HE ARG A 22 64.962 6.459 43.948 1.00-10.00 H new ATOM 0 HH11 ARG A 22 62.028 7.245 45.774 1.00-10.00 H new ATOM 0 HH12 ARG A 22 61.933 8.884 45.121 1.00-10.00 H new ATOM 0 HH21 ARG A 22 64.816 8.555 43.124 1.00-10.00 H new ATOM 0 HH22 ARG A 22 63.500 9.620 43.631 1.00-10.00 H new ATOM 349 N ALA A 23 62.878 5.946 50.771 1.00-10.00 N ATOM 350 CA ALA A 23 63.315 6.713 51.937 1.00-10.00 C ATOM 351 C ALA A 23 63.834 5.799 53.048 1.00-10.00 C ATOM 352 O ALA A 23 63.110 4.928 53.536 1.00-10.00 O ATOM 353 CB ALA A 23 62.178 7.584 52.453 1.00-10.00 C ATOM 0 H ALA A 23 61.886 6.041 50.553 1.00-10.00 H new ATOM 0 HA ALA A 23 64.139 7.354 51.624 1.00-10.00 H new ATOM 0 HB1 ALA A 23 62.518 8.149 53.321 1.00-10.00 H new ATOM 0 HB2 ALA A 23 61.865 8.275 51.670 1.00-10.00 H new ATOM 0 HB3 ALA A 23 61.336 6.953 52.738 1.00-10.00 H new ATOM 398 N ALA A 27 72.034 8.323 57.943 1.00-10.00 N ATOM 399 CA ALA A 27 72.795 9.560 57.779 1.00-10.00 C ATOM 400 C ALA A 27 74.294 9.278 57.667 1.00-10.00 C ATOM 401 O ALA A 27 74.943 8.928 58.655 1.00-10.00 O ATOM 402 CB ALA A 27 72.515 10.506 58.939 1.00-10.00 C ATOM 0 HA ALA A 27 72.476 10.035 56.851 1.00-10.00 H new ATOM 0 HB1 ALA A 27 73.087 11.424 58.806 1.00-10.00 H new ATOM 0 HB2 ALA A 27 71.451 10.742 58.967 1.00-10.00 H new ATOM 0 HB3 ALA A 27 72.806 10.030 59.875 1.00-10.00 H new ATOM 408 N ASP A 28 74.832 9.436 56.454 1.00-10.00 N ATOM 409 CA ASP A 28 76.256 9.205 56.192 1.00-10.00 C ATOM 410 C ASP A 28 76.635 7.734 56.407 1.00-10.00 C ATOM 411 O ASP A 28 75.783 6.899 56.718 1.00-10.00 O ATOM 412 CB ASP A 28 77.117 10.112 57.082 1.00-10.00 C ATOM 413 CG ASP A 28 78.267 10.746 56.325 1.00-10.00 C ATOM 414 OD1 ASP A 28 79.196 10.010 55.929 1.00-10.00 O ATOM 415 OD2 ASP A 28 78.240 11.978 56.127 1.00-10.00 O ATOM 0 H ASP A 28 74.299 9.725 55.633 1.00-10.00 H new ATOM 0 HA ASP A 28 76.446 9.450 55.147 1.00-10.00 H new ATOM 0 HB2 ASP A 28 76.492 10.896 57.509 1.00-10.00 H new ATOM 0 HB3 ASP A 28 77.512 9.530 57.915 1.00-10.00 H new ATOM 420 N GLY A 29 77.922 7.424 56.234 1.00-10.00 N ATOM 421 CA GLY A 29 78.392 6.059 56.409 1.00-10.00 C ATOM 422 C GLY A 29 79.795 5.849 55.868 1.00-10.00 C ATOM 423 O GLY A 29 80.744 5.695 56.638 1.00-10.00 O ATOM 0 H GLY A 29 78.646 8.095 55.976 1.00-10.00 H new ATOM 0 HA2 GLY A 29 78.374 5.806 57.469 1.00-10.00 H new ATOM 0 HA3 GLY A 29 77.707 5.376 55.907 1.00-10.00 H new ATOM 427 N VAL A 30 79.922 5.842 54.542 1.00-10.00 N ATOM 428 CA VAL A 30 81.218 5.647 53.890 1.00-10.00 C ATOM 429 C VAL A 30 81.319 6.463 52.601 1.00-10.00 C ATOM 430 O VAL A 30 80.308 6.917 52.060 1.00-10.00 O ATOM 431 CB VAL A 30 81.473 4.158 53.563 1.00-10.00 C ATOM 432 CG1 VAL A 30 81.766 3.372 54.831 1.00-10.00 C ATOM 433 CG2 VAL A 30 80.288 3.555 52.818 1.00-10.00 C ATOM 0 H VAL A 30 79.143 5.969 53.896 1.00-10.00 H new ATOM 0 HA VAL A 30 81.975 5.990 54.595 1.00-10.00 H new ATOM 0 HB VAL A 30 82.347 4.099 52.914 1.00-10.00 H new ATOM 0 HG11 VAL A 30 81.942 2.326 54.578 1.00-10.00 H new ATOM 0 HG12 VAL A 30 82.651 3.782 55.317 1.00-10.00 H new ATOM 0 HG13 VAL A 30 80.915 3.443 55.508 1.00-10.00 H new ATOM 0 HG21 VAL A 30 80.491 2.507 52.599 1.00-10.00 H new ATOM 0 HG22 VAL A 30 79.393 3.630 53.436 1.00-10.00 H new ATOM 0 HG23 VAL A 30 80.131 4.097 51.885 1.00-10.00 H new ATOM 443 N GLY A 31 82.547 6.637 52.111 1.00-10.00 N ATOM 444 CA GLY A 31 82.767 7.390 50.887 1.00-10.00 C ATOM 445 C GLY A 31 82.190 6.692 49.670 1.00-10.00 C ATOM 446 O GLY A 31 82.720 5.672 49.224 1.00-10.00 O ATOM 0 H GLY A 31 83.395 6.268 52.542 1.00-10.00 H new ATOM 0 HA2 GLY A 31 82.316 8.378 50.985 1.00-10.00 H new ATOM 0 HA3 GLY A 31 83.837 7.541 50.743 1.00-10.00 H new ATOM 450 N ALA A 32 81.097 7.237 49.137 1.00-10.00 N ATOM 451 CA ALA A 32 80.439 6.658 47.968 1.00-10.00 C ATOM 452 C ALA A 32 81.219 6.953 46.684 1.00-10.00 C ATOM 453 O ALA A 32 80.822 7.802 45.883 1.00-10.00 O ATOM 454 CB ALA A 32 79.008 7.171 47.862 1.00-10.00 C ATOM 0 H ALA A 32 80.649 8.079 49.497 1.00-10.00 H new ATOM 0 HA ALA A 32 80.415 5.576 48.094 1.00-10.00 H new ATOM 0 HB1 ALA A 32 78.528 6.732 46.987 1.00-10.00 H new ATOM 0 HB2 ALA A 32 78.454 6.891 48.758 1.00-10.00 H new ATOM 0 HB3 ALA A 32 79.017 8.257 47.765 1.00-10.00 H new ATOM 460 N ALA A 33 82.331 6.240 46.496 1.00-10.00 N ATOM 461 CA ALA A 33 83.168 6.416 45.311 1.00-10.00 C ATOM 462 C ALA A 33 82.664 5.555 44.154 1.00-10.00 C ATOM 463 O ALA A 33 82.201 6.077 43.140 1.00-10.00 O ATOM 464 CB ALA A 33 84.621 6.086 45.633 1.00-10.00 C ATOM 0 H ALA A 33 82.672 5.535 47.150 1.00-10.00 H new ATOM 0 HA ALA A 33 83.109 7.460 45.004 1.00-10.00 H new ATOM 0 HB1 ALA A 33 85.231 6.222 44.740 1.00-10.00 H new ATOM 0 HB2 ALA A 33 84.978 6.748 46.421 1.00-10.00 H new ATOM 0 HB3 ALA A 33 84.693 5.051 45.968 1.00-10.00 H new ATOM 470 N SER A 34 82.754 4.235 44.315 1.00-10.00 N ATOM 471 CA SER A 34 82.304 3.294 43.289 1.00-10.00 C ATOM 472 C SER A 34 80.775 3.176 43.285 1.00-10.00 C ATOM 473 O SER A 34 80.206 2.412 44.067 1.00-10.00 O ATOM 474 CB SER A 34 82.948 1.923 43.521 1.00-10.00 C ATOM 475 OG SER A 34 82.655 1.423 44.817 1.00-10.00 O ATOM 0 H SER A 34 83.136 3.791 45.150 1.00-10.00 H new ATOM 0 HA SER A 34 82.613 3.671 42.314 1.00-10.00 H new ATOM 0 HB2 SER A 34 82.590 1.220 42.769 1.00-10.00 H new ATOM 0 HB3 SER A 34 84.028 2.001 43.396 1.00-10.00 H new ATOM 0 HG SER A 34 81.739 1.669 45.063 1.00-10.00 H new ATOM 481 N ARG A 35 80.107 3.955 42.424 1.00-10.00 N ATOM 482 CA ARG A 35 78.642 3.937 42.366 1.00-10.00 C ATOM 483 C ARG A 35 78.079 2.785 41.515 1.00-10.00 C ATOM 484 O ARG A 35 77.668 1.757 42.058 1.00-10.00 O ATOM 485 CB ARG A 35 78.117 5.278 41.836 1.00-10.00 C ATOM 486 CG ARG A 35 78.454 6.466 42.726 1.00-10.00 C ATOM 487 CD ARG A 35 79.159 7.563 41.943 1.00-10.00 C ATOM 488 NE ARG A 35 80.521 7.174 41.571 1.00-10.00 N ATOM 489 CZ ARG A 35 80.988 7.123 40.321 1.00-10.00 C ATOM 490 NH1 ARG A 35 80.219 7.453 39.290 1.00-10.00 N ATOM 491 NH2 ARG A 35 82.237 6.736 40.105 1.00-10.00 N ATOM 0 H ARG A 35 80.551 4.597 41.767 1.00-10.00 H new ATOM 0 HA ARG A 35 78.296 3.774 43.387 1.00-10.00 H new ATOM 0 HB2 ARG A 35 78.530 5.452 40.842 1.00-10.00 H new ATOM 0 HB3 ARG A 35 77.035 5.215 41.725 1.00-10.00 H new ATOM 0 HG2 ARG A 35 77.540 6.862 43.168 1.00-10.00 H new ATOM 0 HG3 ARG A 35 79.090 6.138 43.548 1.00-10.00 H new ATOM 0 HD2 ARG A 35 78.588 7.793 41.044 1.00-10.00 H new ATOM 0 HD3 ARG A 35 79.191 8.474 42.541 1.00-10.00 H new ATOM 0 HE ARG A 35 81.162 6.923 42.324 1.00-10.00 H new ATOM 0 HH11 ARG A 35 79.256 7.751 39.447 1.00-10.00 H new ATOM 0 HH12 ARG A 35 80.591 7.409 38.341 1.00-10.00 H new ATOM 0 HH21 ARG A 35 82.835 6.480 40.891 1.00-10.00 H new ATOM 0 HH22 ARG A 35 82.601 6.695 39.153 1.00-10.00 H new ATOM 505 N ASP A 36 78.030 2.967 40.188 1.00-10.00 N ATOM 506 CA ASP A 36 77.477 1.942 39.293 1.00-10.00 C ATOM 507 C ASP A 36 78.545 1.019 38.696 1.00-10.00 C ATOM 508 O ASP A 36 78.637 -0.155 39.067 1.00-10.00 O ATOM 509 CB ASP A 36 76.667 2.606 38.173 1.00-10.00 C ATOM 510 CG ASP A 36 75.596 3.538 38.705 1.00-10.00 C ATOM 511 OD1 ASP A 36 74.470 3.062 38.961 1.00-10.00 O ATOM 512 OD2 ASP A 36 75.885 4.742 38.868 1.00-10.00 O ATOM 0 H ASP A 36 78.363 3.807 39.714 1.00-10.00 H new ATOM 0 HA ASP A 36 76.828 1.312 39.901 1.00-10.00 H new ATOM 0 HB2 ASP A 36 77.341 3.165 37.524 1.00-10.00 H new ATOM 0 HB3 ASP A 36 76.201 1.835 37.560 1.00-10.00 H new ATOM 517 N LEU A 37 79.333 1.554 37.757 1.00-10.00 N ATOM 518 CA LEU A 37 80.380 0.780 37.083 1.00-10.00 C ATOM 519 C LEU A 37 81.540 0.478 38.022 1.00-10.00 C ATOM 520 O LEU A 37 81.896 -0.681 38.225 1.00-10.00 O ATOM 521 CB LEU A 37 80.887 1.531 35.847 1.00-10.00 C ATOM 522 CG LEU A 37 81.477 0.645 34.747 1.00-10.00 C ATOM 523 CD1 LEU A 37 80.691 0.804 33.455 1.00-10.00 C ATOM 524 CD2 LEU A 37 82.944 0.978 34.522 1.00-10.00 C ATOM 0 H LEU A 37 79.265 2.523 37.446 1.00-10.00 H new ATOM 0 HA LEU A 37 79.942 -0.168 36.771 1.00-10.00 H new ATOM 0 HB2 LEU A 37 80.062 2.106 35.426 1.00-10.00 H new ATOM 0 HB3 LEU A 37 81.646 2.247 36.162 1.00-10.00 H new ATOM 0 HG LEU A 37 81.405 -0.394 35.068 1.00-10.00 H new ATOM 0 HD11 LEU A 37 81.125 0.167 32.684 1.00-10.00 H new ATOM 0 HD12 LEU A 37 79.653 0.516 33.623 1.00-10.00 H new ATOM 0 HD13 LEU A 37 80.731 1.844 33.131 1.00-10.00 H new ATOM 0 HD21 LEU A 37 83.346 0.338 33.737 1.00-10.00 H new ATOM 0 HD22 LEU A 37 83.038 2.022 34.223 1.00-10.00 H new ATOM 0 HD23 LEU A 37 83.500 0.813 35.445 1.00-10.00 H new ATOM 536 N GLU A 38 82.120 1.533 38.591 1.00-10.00 N ATOM 537 CA GLU A 38 83.242 1.402 39.519 1.00-10.00 C ATOM 538 C GLU A 38 82.949 0.349 40.593 1.00-10.00 C ATOM 539 O GLU A 38 83.837 -0.410 40.987 1.00-10.00 O ATOM 540 CB GLU A 38 83.531 2.759 40.166 1.00-10.00 C ATOM 541 CG GLU A 38 84.872 2.839 40.882 1.00-10.00 C ATOM 542 CD GLU A 38 85.011 4.091 41.734 1.00-10.00 C ATOM 543 OE1 GLU A 38 84.549 5.169 41.296 1.00-10.00 O ATOM 544 OE2 GLU A 38 85.579 3.993 42.841 1.00-10.00 O ATOM 0 H GLU A 38 81.828 2.496 38.424 1.00-10.00 H new ATOM 0 HA GLU A 38 84.119 1.073 38.962 1.00-10.00 H new ATOM 0 HB2 GLU A 38 83.497 3.530 39.396 1.00-10.00 H new ATOM 0 HB3 GLU A 38 82.738 2.985 40.879 1.00-10.00 H new ATOM 0 HG2 GLU A 38 84.994 1.959 41.514 1.00-10.00 H new ATOM 0 HG3 GLU A 38 85.674 2.816 40.145 1.00-10.00 H new ATOM 551 N LYS A 39 81.696 0.312 41.058 1.00-10.00 N ATOM 552 CA LYS A 39 81.272 -0.644 42.083 1.00-10.00 C ATOM 553 C LYS A 39 81.512 -2.087 41.634 1.00-10.00 C ATOM 554 O LYS A 39 82.198 -2.847 42.315 1.00-10.00 O ATOM 555 CB LYS A 39 79.790 -0.429 42.416 1.00-10.00 C ATOM 556 CG LYS A 39 79.195 -1.492 43.328 1.00-10.00 C ATOM 557 CD LYS A 39 78.182 -2.358 42.591 1.00-10.00 C ATOM 558 CE LYS A 39 76.819 -1.687 42.511 1.00-10.00 C ATOM 559 NZ LYS A 39 76.754 -0.675 41.416 1.00-10.00 N ATOM 0 H LYS A 39 80.956 0.937 40.738 1.00-10.00 H new ATOM 0 HA LYS A 39 81.871 -0.471 42.977 1.00-10.00 H new ATOM 0 HB2 LYS A 39 79.673 0.546 42.889 1.00-10.00 H new ATOM 0 HB3 LYS A 39 79.220 -0.403 41.487 1.00-10.00 H new ATOM 0 HG2 LYS A 39 79.993 -2.121 43.724 1.00-10.00 H new ATOM 0 HG3 LYS A 39 78.714 -1.013 44.181 1.00-10.00 H new ATOM 0 HD2 LYS A 39 78.545 -2.565 41.584 1.00-10.00 H new ATOM 0 HD3 LYS A 39 78.086 -3.318 43.099 1.00-10.00 H new ATOM 0 HE2 LYS A 39 76.052 -2.444 42.350 1.00-10.00 H new ATOM 0 HE3 LYS A 39 76.596 -1.205 43.463 1.00-10.00 H new ATOM 0 HZ1 LYS A 39 75.784 -0.628 41.044 1.00-10.00 H new ATOM 0 HZ2 LYS A 39 77.027 0.257 41.788 1.00-10.00 H new ATOM 0 HZ3 LYS A 39 77.405 -0.948 40.652 1.00-10.00 H new ATOM 573 N HIS A 40 80.940 -2.458 40.487 1.00-10.00 N ATOM 574 CA HIS A 40 81.091 -3.812 39.951 1.00-10.00 C ATOM 575 C HIS A 40 82.481 -4.029 39.348 1.00-10.00 C ATOM 576 O HIS A 40 83.062 -5.107 39.489 1.00-10.00 O ATOM 577 CB HIS A 40 80.014 -4.094 38.900 1.00-10.00 C ATOM 578 CG HIS A 40 78.684 -4.455 39.489 1.00-10.00 C ATOM 579 ND1 HIS A 40 77.494 -3.916 39.049 1.00-10.00 N ATOM 580 CD2 HIS A 40 78.360 -5.313 40.486 1.00-10.00 C ATOM 581 CE1 HIS A 40 76.496 -4.425 39.750 1.00-10.00 C ATOM 582 NE2 HIS A 40 76.994 -5.277 40.629 1.00-10.00 N ATOM 0 H HIS A 40 80.368 -1.840 39.911 1.00-10.00 H new ATOM 0 HA HIS A 40 80.973 -4.508 40.781 1.00-10.00 H new ATOM 0 HB2 HIS A 40 79.896 -3.214 38.267 1.00-10.00 H new ATOM 0 HB3 HIS A 40 80.350 -4.907 38.256 1.00-10.00 H new ATOM 0 HD2 HIS A 40 79.048 -5.914 41.062 1.00-10.00 H new ATOM 0 HE1 HIS A 40 75.450 -4.185 39.626 1.00-10.00 H new ATOM 0 HE2 HIS A 40 76.453 -5.819 41.303 1.00-10.00 H new ATOM 591 N GLY A 41 83.003 -3.004 38.671 1.00-10.00 N ATOM 592 CA GLY A 41 84.316 -3.100 38.050 1.00-10.00 C ATOM 593 C GLY A 41 85.423 -3.392 39.048 1.00-10.00 C ATOM 594 O GLY A 41 86.266 -4.257 38.805 1.00-10.00 O ATOM 0 H GLY A 41 82.537 -2.106 38.542 1.00-10.00 H new ATOM 0 HA2 GLY A 41 84.298 -3.886 37.295 1.00-10.00 H new ATOM 0 HA3 GLY A 41 84.537 -2.166 37.533 1.00-10.00 H new ATOM 598 N ALA A 42 85.423 -2.672 40.171 1.00-10.00 N ATOM 599 CA ALA A 42 86.439 -2.861 41.207 1.00-10.00 C ATOM 600 C ALA A 42 86.096 -4.036 42.133 1.00-10.00 C ATOM 601 O ALA A 42 86.106 -3.897 43.359 1.00-10.00 O ATOM 602 CB ALA A 42 86.612 -1.575 42.007 1.00-10.00 C ATOM 0 H ALA A 42 84.732 -1.954 40.386 1.00-10.00 H new ATOM 0 HA ALA A 42 87.381 -3.104 40.715 1.00-10.00 H new ATOM 0 HB1 ALA A 42 87.370 -1.724 42.776 1.00-10.00 H new ATOM 0 HB2 ALA A 42 86.925 -0.771 41.340 1.00-10.00 H new ATOM 0 HB3 ALA A 42 85.665 -1.309 42.477 1.00-10.00 H new ATOM 608 N ILE A 43 85.803 -5.197 41.540 1.00-10.00 N ATOM 609 CA ILE A 43 85.469 -6.397 42.308 1.00-10.00 C ATOM 610 C ILE A 43 86.371 -7.565 41.908 1.00-10.00 C ATOM 611 O ILE A 43 86.201 -8.156 40.840 1.00-10.00 O ATOM 612 CB ILE A 43 83.989 -6.804 42.117 1.00-10.00 C ATOM 613 CG1 ILE A 43 83.058 -5.681 42.586 1.00-10.00 C ATOM 614 CG2 ILE A 43 83.685 -8.097 42.863 1.00-10.00 C ATOM 615 CD1 ILE A 43 83.178 -5.361 44.063 1.00-10.00 C ATOM 0 H ILE A 43 85.791 -5.330 40.529 1.00-10.00 H new ATOM 0 HA ILE A 43 85.629 -6.158 43.359 1.00-10.00 H new ATOM 0 HB ILE A 43 83.816 -6.974 41.054 1.00-10.00 H new ATOM 0 HG12 ILE A 43 83.272 -4.780 42.010 1.00-10.00 H new ATOM 0 HG13 ILE A 43 82.028 -5.961 42.367 1.00-10.00 H new ATOM 0 HG21 ILE A 43 82.639 -8.365 42.715 1.00-10.00 H new ATOM 0 HG22 ILE A 43 84.321 -8.895 42.482 1.00-10.00 H new ATOM 0 HG23 ILE A 43 83.877 -7.957 43.927 1.00-10.00 H new ATOM 0 HD11 ILE A 43 82.488 -4.557 44.318 1.00-10.00 H new ATOM 0 HD12 ILE A 43 82.934 -6.248 44.648 1.00-10.00 H new ATOM 0 HD13 ILE A 43 84.198 -5.048 44.286 1.00-10.00 H new ATOM 627 N THR A 44 87.332 -7.891 42.771 1.00-10.00 N ATOM 628 CA THR A 44 88.262 -8.988 42.505 1.00-10.00 C ATOM 629 C THR A 44 87.892 -10.231 43.316 1.00-10.00 C ATOM 630 O THR A 44 88.456 -10.480 44.383 1.00-10.00 O ATOM 631 CB THR A 44 89.719 -8.582 42.820 1.00-10.00 C ATOM 632 OG1 THR A 44 89.979 -7.258 42.337 1.00-10.00 O ATOM 633 CG2 THR A 44 90.703 -9.556 42.187 1.00-10.00 C ATOM 0 H THR A 44 87.487 -7.413 43.658 1.00-10.00 H new ATOM 0 HA THR A 44 88.186 -9.220 41.443 1.00-10.00 H new ATOM 0 HB THR A 44 89.849 -8.606 43.902 1.00-10.00 H new ATOM 0 HG1 THR A 44 90.904 -7.010 42.543 1.00-10.00 H new ATOM 0 HG21 THR A 44 91.722 -9.249 42.423 1.00-10.00 H new ATOM 0 HG22 THR A 44 90.526 -10.558 42.578 1.00-10.00 H new ATOM 0 HG23 THR A 44 90.567 -9.560 41.106 1.00-10.00 H new ATOM 641 N SER A 45 86.938 -11.007 42.800 1.00-10.00 N ATOM 642 CA SER A 45 86.487 -12.226 43.471 1.00-10.00 C ATOM 643 C SER A 45 86.455 -13.407 42.501 1.00-10.00 C ATOM 644 O SER A 45 85.563 -13.503 41.656 1.00-10.00 O ATOM 645 CB SER A 45 85.100 -12.012 44.084 1.00-10.00 C ATOM 646 OG SER A 45 84.802 -13.020 45.036 1.00-10.00 O ATOM 0 H SER A 45 86.463 -10.812 41.919 1.00-10.00 H new ATOM 0 HA SER A 45 87.196 -12.456 44.266 1.00-10.00 H new ATOM 0 HB2 SER A 45 85.057 -11.033 44.561 1.00-10.00 H new ATOM 0 HB3 SER A 45 84.346 -12.017 43.297 1.00-10.00 H new ATOM 0 HG SER A 45 83.912 -12.860 45.414 1.00-10.00 H new ATOM 652 N SER A 46 87.434 -14.304 42.630 1.00-10.00 N ATOM 653 CA SER A 46 87.520 -15.482 41.766 1.00-10.00 C ATOM 654 C SER A 46 87.761 -16.753 42.583 1.00-10.00 C ATOM 655 O SER A 46 88.408 -16.715 43.631 1.00-10.00 O ATOM 656 CB SER A 46 88.639 -15.303 40.736 1.00-10.00 C ATOM 657 OG SER A 46 88.171 -14.614 39.588 1.00-10.00 O ATOM 0 H SER A 46 88.178 -14.237 43.324 1.00-10.00 H new ATOM 0 HA SER A 46 86.567 -15.587 41.247 1.00-10.00 H new ATOM 0 HB2 SER A 46 89.465 -14.750 41.184 1.00-10.00 H new ATOM 0 HB3 SER A 46 89.029 -16.278 40.445 1.00-10.00 H new ATOM 0 HG SER A 46 88.905 -14.511 38.947 1.00-10.00 H new ATOM 663 N ASN A 47 87.238 -17.879 42.092 1.00-10.00 N ATOM 664 CA ASN A 47 87.395 -19.166 42.771 1.00-10.00 C ATOM 665 C ASN A 47 88.449 -20.028 42.074 1.00-10.00 C ATOM 666 O ASN A 47 88.440 -20.164 40.849 1.00-10.00 O ATOM 667 CB ASN A 47 86.056 -19.909 42.818 1.00-10.00 C ATOM 668 CG ASN A 47 85.865 -20.681 44.110 1.00-10.00 C ATOM 669 OD1 ASN A 47 85.287 -20.171 45.069 1.00-10.00 O ATOM 670 ND2 ASN A 47 86.349 -21.916 44.145 1.00-10.00 N ATOM 0 H ASN A 47 86.702 -17.925 41.226 1.00-10.00 H new ATOM 0 HA ASN A 47 87.730 -18.972 43.790 1.00-10.00 H new ATOM 0 HB2 ASN A 47 85.242 -19.193 42.703 1.00-10.00 H new ATOM 0 HB3 ASN A 47 85.996 -20.597 41.975 1.00-10.00 H new ATOM 0 HD21 ASN A 47 86.248 -22.480 44.989 1.00-10.00 H new ATOM 0 HD22 ASN A 47 86.822 -22.302 43.328 1.00-10.00 H new ATOM 677 N THR A 48 89.356 -20.607 42.861 1.00-10.00 N ATOM 678 CA THR A 48 90.420 -21.453 42.320 1.00-10.00 C ATOM 679 C THR A 48 90.177 -22.928 42.637 1.00-10.00 C ATOM 680 O THR A 48 90.488 -23.396 43.735 1.00-10.00 O ATOM 681 CB THR A 48 91.804 -21.041 42.867 1.00-10.00 C ATOM 682 OG1 THR A 48 91.766 -20.954 44.297 1.00-10.00 O ATOM 683 CG2 THR A 48 92.238 -19.703 42.288 1.00-10.00 C ATOM 0 H THR A 48 89.375 -20.506 43.876 1.00-10.00 H new ATOM 0 HA THR A 48 90.408 -21.314 41.239 1.00-10.00 H new ATOM 0 HB THR A 48 92.525 -21.803 42.570 1.00-10.00 H new ATOM 0 HG1 THR A 48 91.332 -21.753 44.662 1.00-10.00 H new ATOM 0 HG21 THR A 48 93.216 -19.433 42.688 1.00-10.00 H new ATOM 0 HG22 THR A 48 92.298 -19.779 41.202 1.00-10.00 H new ATOM 0 HG23 THR A 48 91.512 -18.937 42.559 1.00-10.00 H new ATOM 691 N ALA A 49 89.623 -23.656 41.663 1.00-10.00 N ATOM 692 CA ALA A 49 89.335 -25.084 41.822 1.00-10.00 C ATOM 693 C ALA A 49 88.318 -25.336 42.941 1.00-10.00 C ATOM 694 O ALA A 49 87.765 -24.394 43.515 1.00-10.00 O ATOM 695 CB ALA A 49 90.624 -25.855 42.084 1.00-10.00 C ATOM 0 H ALA A 49 89.364 -23.277 40.752 1.00-10.00 H new ATOM 0 HA ALA A 49 88.891 -25.441 40.892 1.00-10.00 H new ATOM 0 HB1 ALA A 49 90.397 -26.915 42.200 1.00-10.00 H new ATOM 0 HB2 ALA A 49 91.306 -25.720 41.244 1.00-10.00 H new ATOM 0 HB3 ALA A 49 91.092 -25.482 42.995 1.00-10.00 H new ATOM 701 N ALA A 50 88.074 -26.616 43.242 1.00-10.00 N ATOM 702 CA ALA A 50 87.124 -27.005 44.289 1.00-10.00 C ATOM 703 C ALA A 50 85.696 -26.570 43.942 1.00-10.00 C ATOM 704 O ALA A 50 85.433 -26.091 42.836 1.00-10.00 O ATOM 705 CB ALA A 50 87.554 -26.425 45.633 1.00-10.00 C ATOM 0 H ALA A 50 88.523 -27.403 42.773 1.00-10.00 H new ATOM 0 HA ALA A 50 87.126 -28.093 44.359 1.00-10.00 H new ATOM 0 HB1 ALA A 50 86.840 -26.721 46.402 1.00-10.00 H new ATOM 0 HB2 ALA A 50 88.544 -26.802 45.892 1.00-10.00 H new ATOM 0 HB3 ALA A 50 87.586 -25.337 45.567 1.00-10.00 H new ATOM 711 N ASN A 51 84.777 -26.743 44.893 1.00-10.00 N ATOM 712 CA ASN A 51 83.378 -26.370 44.690 1.00-10.00 C ATOM 713 C ASN A 51 82.787 -25.753 45.958 1.00-10.00 C ATOM 714 O ASN A 51 82.920 -26.311 47.049 1.00-10.00 O ATOM 715 CB ASN A 51 82.552 -27.590 44.258 1.00-10.00 C ATOM 716 CG ASN A 51 82.672 -28.757 45.222 1.00-10.00 C ATOM 717 OD1 ASN A 51 81.838 -28.931 46.109 1.00-10.00 O ATOM 718 ND2 ASN A 51 83.710 -29.568 45.051 1.00-10.00 N ATOM 0 H ASN A 51 84.977 -27.139 45.811 1.00-10.00 H new ATOM 0 HA ASN A 51 83.341 -25.624 43.897 1.00-10.00 H new ATOM 0 HB2 ASN A 51 81.504 -27.301 44.174 1.00-10.00 H new ATOM 0 HB3 ASN A 51 82.876 -27.909 43.267 1.00-10.00 H new ATOM 0 HD21 ASN A 51 83.837 -30.370 45.668 1.00-10.00 H new ATOM 0 HD22 ASN A 51 84.380 -29.389 44.303 1.00-10.00 H new