USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 503 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 45 GLN : amide:sc= -4.34! C(o=-10!,f=-14!) USER MOD Set 1.2: A 67 GLN : amide:sc= -5.75! C(o=-10!,f=-21!) USER MOD Single : A 1 GLY N :NH3+ 131:sc= 0.056 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.384 K(o=-0.38,f=-3.3!) USER MOD Single : A 15 ASN : amide:sc=-0.00149 K(o=-0.0015,f=-2.3) USER MOD Single : A 21 GLN : amide:sc= -1.31 K(o=-1.3,f=-2) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.235 K(o=-0.23,f=-1.1) USER MOD Single : A 29 SER OG : rot 46:sc= 1.13 USER MOD Single : A 32 GLN : amide:sc= -6.77! C(o=-6.8!,f=-14!) USER MOD Single : A 34 GLN : amide:sc= -0.231 K(o=-0.23,f=-2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00168 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -17:sc= 0.661 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.746 13.686 61.958 1.00 0.00 N ATOM 2 CA GLY A 1 31.627 14.516 60.771 1.00 0.00 C ATOM 3 C GLY A 1 32.983 14.686 60.082 1.00 0.00 C ATOM 4 O GLY A 1 34.025 14.641 60.735 1.00 0.00 O ATOM 0 H1 GLY A 1 31.276 14.155 62.758 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.296 12.765 61.784 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.751 13.544 62.183 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.917 14.065 60.078 1.00 0.00 H new ATOM 0 HA3 GLY A 1 31.229 15.493 61.045 1.00 0.00 H new ATOM 8 N SER A 2 32.925 14.876 58.772 1.00 0.00 N ATOM 9 CA SER A 2 34.136 15.053 57.988 1.00 0.00 C ATOM 10 C SER A 2 34.047 16.344 57.172 1.00 0.00 C ATOM 11 O SER A 2 33.002 16.650 56.600 1.00 0.00 O ATOM 12 CB SER A 2 34.373 13.856 57.065 1.00 0.00 C ATOM 13 OG SER A 2 34.521 12.641 57.793 1.00 0.00 O ATOM 0 H SER A 2 32.059 14.911 58.234 1.00 0.00 H new ATOM 0 HA SER A 2 34.981 15.122 58.673 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.538 13.763 56.371 1.00 0.00 H new ATOM 0 HB3 SER A 2 35.267 14.031 56.467 1.00 0.00 H new ATOM 0 HG SER A 2 34.669 11.901 57.168 1.00 0.00 H new ATOM 19 N SER A 3 35.157 17.066 57.143 1.00 0.00 N ATOM 20 CA SER A 3 35.218 18.317 56.406 1.00 0.00 C ATOM 21 C SER A 3 36.151 18.170 55.202 1.00 0.00 C ATOM 22 O SER A 3 36.850 19.113 54.835 1.00 0.00 O ATOM 23 CB SER A 3 35.687 19.463 57.304 1.00 0.00 C ATOM 24 OG SER A 3 34.612 20.035 58.045 1.00 0.00 O ATOM 0 H SER A 3 36.022 16.809 57.618 1.00 0.00 H new ATOM 0 HA SER A 3 34.215 18.555 56.053 1.00 0.00 H new ATOM 0 HB2 SER A 3 36.447 19.096 57.993 1.00 0.00 H new ATOM 0 HB3 SER A 3 36.157 20.234 56.693 1.00 0.00 H new ATOM 0 HG SER A 3 34.953 20.762 58.607 1.00 0.00 H new ATOM 30 N GLY A 4 36.131 16.980 54.620 1.00 0.00 N ATOM 31 CA GLY A 4 36.967 16.698 53.465 1.00 0.00 C ATOM 32 C GLY A 4 36.144 16.717 52.176 1.00 0.00 C ATOM 33 O GLY A 4 35.087 16.091 52.100 1.00 0.00 O ATOM 0 H GLY A 4 35.549 16.200 54.926 1.00 0.00 H new ATOM 0 HA2 GLY A 4 37.767 17.436 53.401 1.00 0.00 H new ATOM 0 HA3 GLY A 4 37.441 15.724 53.584 1.00 0.00 H new ATOM 37 N SER A 5 36.658 17.442 51.194 1.00 0.00 N ATOM 38 CA SER A 5 35.984 17.551 49.911 1.00 0.00 C ATOM 39 C SER A 5 36.682 16.666 48.876 1.00 0.00 C ATOM 40 O SER A 5 37.803 16.956 48.461 1.00 0.00 O ATOM 41 CB SER A 5 35.947 19.003 49.430 1.00 0.00 C ATOM 42 OG SER A 5 34.890 19.740 50.037 1.00 0.00 O ATOM 0 H SER A 5 37.534 17.960 51.261 1.00 0.00 H new ATOM 0 HA SER A 5 34.956 17.212 50.035 1.00 0.00 H new ATOM 0 HB2 SER A 5 36.899 19.484 49.654 1.00 0.00 H new ATOM 0 HB3 SER A 5 35.827 19.023 48.347 1.00 0.00 H new ATOM 0 HG SER A 5 34.902 20.662 49.705 1.00 0.00 H new ATOM 48 N SER A 6 35.991 15.604 48.489 1.00 0.00 N ATOM 49 CA SER A 6 36.530 14.676 47.511 1.00 0.00 C ATOM 50 C SER A 6 35.424 14.216 46.559 1.00 0.00 C ATOM 51 O SER A 6 34.253 14.179 46.935 1.00 0.00 O ATOM 52 CB SER A 6 37.177 13.469 48.195 1.00 0.00 C ATOM 53 OG SER A 6 38.512 13.253 47.746 1.00 0.00 O ATOM 0 H SER A 6 35.062 15.366 48.836 1.00 0.00 H new ATOM 0 HA SER A 6 37.301 15.193 46.939 1.00 0.00 H new ATOM 0 HB2 SER A 6 37.178 13.621 49.274 1.00 0.00 H new ATOM 0 HB3 SER A 6 36.580 12.578 47.999 1.00 0.00 H new ATOM 0 HG SER A 6 38.890 12.475 48.207 1.00 0.00 H new ATOM 59 N GLY A 7 35.833 13.879 45.345 1.00 0.00 N ATOM 60 CA GLY A 7 34.891 13.424 44.337 1.00 0.00 C ATOM 61 C GLY A 7 35.091 11.938 44.031 1.00 0.00 C ATOM 62 O GLY A 7 36.153 11.535 43.558 1.00 0.00 O ATOM 0 H GLY A 7 36.805 13.912 45.037 1.00 0.00 H new ATOM 0 HA2 GLY A 7 33.872 13.594 44.684 1.00 0.00 H new ATOM 0 HA3 GLY A 7 35.019 14.007 43.425 1.00 0.00 H new ATOM 66 N SER A 8 34.053 11.164 44.313 1.00 0.00 N ATOM 67 CA SER A 8 34.102 9.731 44.073 1.00 0.00 C ATOM 68 C SER A 8 34.205 9.455 42.572 1.00 0.00 C ATOM 69 O SER A 8 33.997 10.352 41.756 1.00 0.00 O ATOM 70 CB SER A 8 32.872 9.034 44.658 1.00 0.00 C ATOM 71 OG SER A 8 32.869 9.064 46.083 1.00 0.00 O ATOM 0 H SER A 8 33.174 11.501 44.705 1.00 0.00 H new ATOM 0 HA SER A 8 34.985 9.330 44.570 1.00 0.00 H new ATOM 0 HB2 SER A 8 31.969 9.517 44.283 1.00 0.00 H new ATOM 0 HB3 SER A 8 32.845 7.999 44.317 1.00 0.00 H new ATOM 0 HG SER A 8 32.067 8.611 46.418 1.00 0.00 H new ATOM 77 N ARG A 9 34.525 8.210 42.253 1.00 0.00 N ATOM 78 CA ARG A 9 34.658 7.804 40.864 1.00 0.00 C ATOM 79 C ARG A 9 34.043 6.419 40.654 1.00 0.00 C ATOM 80 O ARG A 9 34.647 5.407 41.005 1.00 0.00 O ATOM 81 CB ARG A 9 36.128 7.771 40.438 1.00 0.00 C ATOM 82 CG ARG A 9 36.300 8.317 39.019 1.00 0.00 C ATOM 83 CD ARG A 9 36.055 7.223 37.978 1.00 0.00 C ATOM 84 NE ARG A 9 37.234 7.095 37.092 1.00 0.00 N ATOM 85 CZ ARG A 9 38.329 6.386 37.397 1.00 0.00 C ATOM 86 NH1 ARG A 9 38.403 5.738 38.568 1.00 0.00 N ATOM 87 NH2 ARG A 9 39.351 6.326 36.533 1.00 0.00 N ATOM 0 H ARG A 9 34.696 7.469 42.932 1.00 0.00 H new ATOM 0 HA ARG A 9 34.130 8.536 40.253 1.00 0.00 H new ATOM 0 HB2 ARG A 9 36.725 8.361 41.133 1.00 0.00 H new ATOM 0 HB3 ARG A 9 36.501 6.748 40.486 1.00 0.00 H new ATOM 0 HG2 ARG A 9 35.606 9.141 38.856 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.306 8.719 38.900 1.00 0.00 H new ATOM 0 HD2 ARG A 9 35.859 6.273 38.476 1.00 0.00 H new ATOM 0 HD3 ARG A 9 35.170 7.462 37.388 1.00 0.00 H new ATOM 0 HE ARG A 9 37.211 7.577 36.193 1.00 0.00 H new ATOM 0 HH11 ARG A 9 37.626 5.785 39.227 1.00 0.00 H new ATOM 0 HH12 ARG A 9 39.237 5.198 38.800 1.00 0.00 H new ATOM 0 HH21 ARG A 9 39.296 6.820 35.642 1.00 0.00 H new ATOM 0 HH22 ARG A 9 40.185 5.786 36.766 1.00 0.00 H new ATOM 101 N GLN A 10 32.847 6.419 40.083 1.00 0.00 N ATOM 102 CA GLN A 10 32.142 5.175 39.823 1.00 0.00 C ATOM 103 C GLN A 10 31.086 5.381 38.735 1.00 0.00 C ATOM 104 O GLN A 10 30.225 6.251 38.857 1.00 0.00 O ATOM 105 CB GLN A 10 31.511 4.624 41.103 1.00 0.00 C ATOM 106 CG GLN A 10 30.519 5.625 41.699 1.00 0.00 C ATOM 107 CD GLN A 10 30.851 5.920 43.163 1.00 0.00 C ATOM 108 OE1 GLN A 10 31.799 5.399 43.729 1.00 0.00 O ATOM 109 NE2 GLN A 10 30.021 6.782 43.743 1.00 0.00 N ATOM 0 H GLN A 10 32.349 7.260 39.793 1.00 0.00 H new ATOM 0 HA GLN A 10 32.863 4.439 39.467 1.00 0.00 H new ATOM 0 HB2 GLN A 10 31.001 3.686 40.886 1.00 0.00 H new ATOM 0 HB3 GLN A 10 32.291 4.402 41.831 1.00 0.00 H new ATOM 0 HG2 GLN A 10 30.541 6.551 41.124 1.00 0.00 H new ATOM 0 HG3 GLN A 10 29.507 5.227 41.625 1.00 0.00 H new ATOM 0 HE21 GLN A 10 29.247 7.181 43.212 1.00 0.00 H new ATOM 0 HE22 GLN A 10 30.158 7.044 44.719 1.00 0.00 H new ATOM 118 N ALA A 11 31.188 4.566 37.695 1.00 0.00 N ATOM 119 CA ALA A 11 30.252 4.648 36.586 1.00 0.00 C ATOM 120 C ALA A 11 29.686 3.256 36.298 1.00 0.00 C ATOM 121 O ALA A 11 30.230 2.519 35.477 1.00 0.00 O ATOM 122 CB ALA A 11 30.954 5.256 35.370 1.00 0.00 C ATOM 0 H ALA A 11 31.904 3.846 37.597 1.00 0.00 H new ATOM 0 HA ALA A 11 29.414 5.298 36.838 1.00 0.00 H new ATOM 0 HB1 ALA A 11 30.252 5.318 34.538 1.00 0.00 H new ATOM 0 HB2 ALA A 11 31.311 6.255 35.618 1.00 0.00 H new ATOM 0 HB3 ALA A 11 31.799 4.629 35.086 1.00 0.00 H new ATOM 128 N PRO A 12 28.573 2.930 37.008 1.00 0.00 N ATOM 129 CA PRO A 12 27.928 1.640 36.836 1.00 0.00 C ATOM 130 C PRO A 12 27.147 1.587 35.521 1.00 0.00 C ATOM 131 O PRO A 12 25.946 1.850 35.498 1.00 0.00 O ATOM 132 CB PRO A 12 27.041 1.477 38.060 1.00 0.00 C ATOM 133 CG PRO A 12 26.866 2.873 38.636 1.00 0.00 C ATOM 134 CD PRO A 12 27.902 3.778 37.988 1.00 0.00 C ATOM 0 HA PRO A 12 28.642 0.820 36.765 1.00 0.00 H new ATOM 0 HB2 PRO A 12 26.079 1.042 37.790 1.00 0.00 H new ATOM 0 HB3 PRO A 12 27.500 0.808 38.789 1.00 0.00 H new ATOM 0 HG2 PRO A 12 25.860 3.243 38.440 1.00 0.00 H new ATOM 0 HG3 PRO A 12 26.995 2.858 39.718 1.00 0.00 H new ATOM 0 HD2 PRO A 12 27.433 4.639 37.512 1.00 0.00 H new ATOM 0 HD3 PRO A 12 28.606 4.165 38.725 1.00 0.00 H new ATOM 142 N ILE A 13 27.862 1.247 34.459 1.00 0.00 N ATOM 143 CA ILE A 13 27.251 1.157 33.144 1.00 0.00 C ATOM 144 C ILE A 13 27.495 -0.239 32.567 1.00 0.00 C ATOM 145 O ILE A 13 28.632 -0.707 32.523 1.00 0.00 O ATOM 146 CB ILE A 13 27.748 2.289 32.243 1.00 0.00 C ATOM 147 CG1 ILE A 13 29.231 2.114 31.909 1.00 0.00 C ATOM 148 CG2 ILE A 13 27.459 3.655 32.870 1.00 0.00 C ATOM 149 CD1 ILE A 13 29.413 1.590 30.483 1.00 0.00 C ATOM 0 H ILE A 13 28.858 1.031 34.482 1.00 0.00 H new ATOM 0 HA ILE A 13 26.171 1.289 33.217 1.00 0.00 H new ATOM 0 HB ILE A 13 27.199 2.243 31.302 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.747 3.068 32.019 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.688 1.421 32.616 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.822 4.443 32.210 1.00 0.00 H new ATOM 0 HG22 ILE A 13 26.385 3.769 33.014 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.964 3.727 33.833 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.476 1.474 30.271 1.00 0.00 H new ATOM 0 HD12 ILE A 13 28.916 0.625 30.384 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.977 2.297 29.777 1.00 0.00 H new ATOM 161 N ALA A 14 26.409 -0.867 32.140 1.00 0.00 N ATOM 162 CA ALA A 14 26.491 -2.200 31.568 1.00 0.00 C ATOM 163 C ALA A 14 25.196 -2.506 30.812 1.00 0.00 C ATOM 164 O ALA A 14 24.173 -2.809 31.424 1.00 0.00 O ATOM 165 CB ALA A 14 26.772 -3.215 32.677 1.00 0.00 C ATOM 0 H ALA A 14 25.467 -0.477 32.179 1.00 0.00 H new ATOM 0 HA ALA A 14 27.312 -2.262 30.854 1.00 0.00 H new ATOM 0 HB1 ALA A 14 26.833 -4.215 32.248 1.00 0.00 H new ATOM 0 HB2 ALA A 14 27.716 -2.970 33.164 1.00 0.00 H new ATOM 0 HB3 ALA A 14 25.967 -3.184 33.411 1.00 0.00 H new ATOM 171 N ASN A 15 25.284 -2.417 29.493 1.00 0.00 N ATOM 172 CA ASN A 15 24.132 -2.681 28.647 1.00 0.00 C ATOM 173 C ASN A 15 24.332 -4.014 27.922 1.00 0.00 C ATOM 174 O ASN A 15 25.072 -4.086 26.942 1.00 0.00 O ATOM 175 CB ASN A 15 23.963 -1.588 27.590 1.00 0.00 C ATOM 176 CG ASN A 15 23.399 -0.308 28.210 1.00 0.00 C ATOM 177 OD1 ASN A 15 23.543 -0.045 29.393 1.00 0.00 O ATOM 178 ND2 ASN A 15 22.750 0.470 27.349 1.00 0.00 N ATOM 0 H ASN A 15 26.135 -2.166 28.989 1.00 0.00 H new ATOM 0 HA ASN A 15 23.246 -2.708 29.282 1.00 0.00 H new ATOM 0 HB2 ASN A 15 24.925 -1.377 27.123 1.00 0.00 H new ATOM 0 HB3 ASN A 15 23.297 -1.939 26.802 1.00 0.00 H new ATOM 0 HD21 ASN A 15 22.336 1.347 27.666 1.00 0.00 H new ATOM 0 HD22 ASN A 15 22.666 0.190 26.372 1.00 0.00 H new ATOM 185 N ALA A 16 23.659 -5.035 28.431 1.00 0.00 N ATOM 186 CA ALA A 16 23.754 -6.361 27.844 1.00 0.00 C ATOM 187 C ALA A 16 22.787 -6.461 26.662 1.00 0.00 C ATOM 188 O ALA A 16 21.592 -6.207 26.810 1.00 0.00 O ATOM 189 CB ALA A 16 23.475 -7.415 28.917 1.00 0.00 C ATOM 0 H ALA A 16 23.046 -4.971 29.243 1.00 0.00 H new ATOM 0 HA ALA A 16 24.759 -6.542 27.463 1.00 0.00 H new ATOM 0 HB1 ALA A 16 23.546 -8.410 28.477 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.207 -7.320 29.719 1.00 0.00 H new ATOM 0 HB3 ALA A 16 22.473 -7.267 29.320 1.00 0.00 H new ATOM 195 N ALA A 17 23.340 -6.831 25.516 1.00 0.00 N ATOM 196 CA ALA A 17 22.541 -6.967 24.310 1.00 0.00 C ATOM 197 C ALA A 17 22.466 -8.444 23.918 1.00 0.00 C ATOM 198 O ALA A 17 23.487 -9.067 23.632 1.00 0.00 O ATOM 199 CB ALA A 17 23.139 -6.099 23.201 1.00 0.00 C ATOM 0 H ALA A 17 24.331 -7.041 25.397 1.00 0.00 H new ATOM 0 HA ALA A 17 21.522 -6.619 24.483 1.00 0.00 H new ATOM 0 HB1 ALA A 17 22.540 -6.201 22.296 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.143 -5.056 23.518 1.00 0.00 H new ATOM 0 HB3 ALA A 17 24.160 -6.421 22.998 1.00 0.00 H new ATOM 205 N VAL A 18 21.246 -8.962 23.918 1.00 0.00 N ATOM 206 CA VAL A 18 21.024 -10.354 23.566 1.00 0.00 C ATOM 207 C VAL A 18 20.655 -10.448 22.084 1.00 0.00 C ATOM 208 O VAL A 18 19.612 -9.946 21.667 1.00 0.00 O ATOM 209 CB VAL A 18 19.964 -10.963 24.485 1.00 0.00 C ATOM 210 CG1 VAL A 18 18.718 -10.078 24.548 1.00 0.00 C ATOM 211 CG2 VAL A 18 19.606 -12.384 24.043 1.00 0.00 C ATOM 0 H VAL A 18 20.401 -8.442 24.156 1.00 0.00 H new ATOM 0 HA VAL A 18 21.935 -10.935 23.712 1.00 0.00 H new ATOM 0 HB VAL A 18 20.385 -11.020 25.489 1.00 0.00 H new ATOM 0 HG11 VAL A 18 17.981 -10.534 25.208 1.00 0.00 H new ATOM 0 HG12 VAL A 18 18.989 -9.095 24.932 1.00 0.00 H new ATOM 0 HG13 VAL A 18 18.295 -9.973 23.549 1.00 0.00 H new ATOM 0 HG21 VAL A 18 18.850 -12.794 24.713 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.215 -12.361 23.026 1.00 0.00 H new ATOM 0 HG23 VAL A 18 20.497 -13.010 24.075 1.00 0.00 H new ATOM 221 N LEU A 19 21.531 -11.094 21.329 1.00 0.00 N ATOM 222 CA LEU A 19 21.311 -11.261 19.902 1.00 0.00 C ATOM 223 C LEU A 19 21.141 -12.748 19.587 1.00 0.00 C ATOM 224 O LEU A 19 22.126 -13.471 19.441 1.00 0.00 O ATOM 225 CB LEU A 19 22.429 -10.586 19.105 1.00 0.00 C ATOM 226 CG LEU A 19 23.851 -11.060 19.413 1.00 0.00 C ATOM 227 CD1 LEU A 19 24.311 -12.111 18.400 1.00 0.00 C ATOM 228 CD2 LEU A 19 24.819 -9.877 19.489 1.00 0.00 C ATOM 0 H LEU A 19 22.395 -11.508 21.678 1.00 0.00 H new ATOM 0 HA LEU A 19 20.390 -10.764 19.597 1.00 0.00 H new ATOM 0 HB2 LEU A 19 22.237 -10.742 18.043 1.00 0.00 H new ATOM 0 HB3 LEU A 19 22.378 -9.512 19.284 1.00 0.00 H new ATOM 0 HG LEU A 19 23.846 -11.537 20.393 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.325 -12.431 18.642 1.00 0.00 H new ATOM 0 HD12 LEU A 19 23.641 -12.970 18.437 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.295 -11.682 17.398 1.00 0.00 H new ATOM 0 HD21 LEU A 19 25.822 -10.241 19.709 1.00 0.00 H new ATOM 0 HD22 LEU A 19 24.825 -9.350 18.535 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.500 -9.196 20.277 1.00 0.00 H new ATOM 240 N PRO A 20 19.853 -13.172 19.488 1.00 0.00 N ATOM 241 CA PRO A 20 19.542 -14.560 19.192 1.00 0.00 C ATOM 242 C PRO A 20 19.796 -14.876 17.717 1.00 0.00 C ATOM 243 O PRO A 20 18.857 -14.965 16.927 1.00 0.00 O ATOM 244 CB PRO A 20 18.086 -14.731 19.595 1.00 0.00 C ATOM 245 CG PRO A 20 17.505 -13.328 19.663 1.00 0.00 C ATOM 246 CD PRO A 20 18.662 -12.343 19.654 1.00 0.00 C ATOM 0 HA PRO A 20 20.177 -15.259 19.736 1.00 0.00 H new ATOM 0 HB2 PRO A 20 17.549 -15.341 18.869 1.00 0.00 H new ATOM 0 HB3 PRO A 20 18.004 -15.235 20.558 1.00 0.00 H new ATOM 0 HG2 PRO A 20 16.843 -13.147 18.816 1.00 0.00 H new ATOM 0 HG3 PRO A 20 16.907 -13.206 20.566 1.00 0.00 H new ATOM 0 HD2 PRO A 20 18.564 -11.624 18.841 1.00 0.00 H new ATOM 0 HD3 PRO A 20 18.703 -11.772 20.581 1.00 0.00 H new ATOM 254 N GLN A 21 21.069 -15.038 17.390 1.00 0.00 N ATOM 255 CA GLN A 21 21.458 -15.343 16.024 1.00 0.00 C ATOM 256 C GLN A 21 20.737 -16.601 15.535 1.00 0.00 C ATOM 257 O GLN A 21 20.553 -17.551 16.295 1.00 0.00 O ATOM 258 CB GLN A 21 22.976 -15.501 15.908 1.00 0.00 C ATOM 259 CG GLN A 21 23.433 -16.843 16.483 1.00 0.00 C ATOM 260 CD GLN A 21 23.191 -16.903 17.993 1.00 0.00 C ATOM 261 OE1 GLN A 21 23.593 -16.033 18.747 1.00 0.00 O ATOM 262 NE2 GLN A 21 22.515 -17.977 18.390 1.00 0.00 N ATOM 0 H GLN A 21 21.845 -14.964 18.048 1.00 0.00 H new ATOM 0 HA GLN A 21 21.163 -14.508 15.388 1.00 0.00 H new ATOM 0 HB2 GLN A 21 23.274 -15.429 14.862 1.00 0.00 H new ATOM 0 HB3 GLN A 21 23.471 -14.687 16.437 1.00 0.00 H new ATOM 0 HG2 GLN A 21 22.896 -17.655 15.992 1.00 0.00 H new ATOM 0 HG3 GLN A 21 24.493 -16.990 16.275 1.00 0.00 H new ATOM 0 HE21 GLN A 21 22.207 -18.668 17.705 1.00 0.00 H new ATOM 0 HE22 GLN A 21 22.304 -18.110 19.379 1.00 0.00 H new ATOM 271 N SER A 22 20.349 -16.567 14.268 1.00 0.00 N ATOM 272 CA SER A 22 19.652 -17.693 13.669 1.00 0.00 C ATOM 273 C SER A 22 18.490 -18.126 14.565 1.00 0.00 C ATOM 274 O SER A 22 18.576 -19.143 15.251 1.00 0.00 O ATOM 275 CB SER A 22 20.604 -18.866 13.431 1.00 0.00 C ATOM 276 OG SER A 22 21.324 -18.730 12.209 1.00 0.00 O ATOM 0 H SER A 22 20.504 -15.778 13.640 1.00 0.00 H new ATOM 0 HA SER A 22 19.259 -17.377 12.703 1.00 0.00 H new ATOM 0 HB2 SER A 22 21.308 -18.936 14.260 1.00 0.00 H new ATOM 0 HB3 SER A 22 20.036 -19.796 13.416 1.00 0.00 H new ATOM 0 HG SER A 22 21.922 -19.498 12.095 1.00 0.00 H new ATOM 282 N GLN A 23 17.429 -17.332 14.529 1.00 0.00 N ATOM 283 CA GLN A 23 16.251 -17.621 15.328 1.00 0.00 C ATOM 284 C GLN A 23 15.084 -16.731 14.895 1.00 0.00 C ATOM 285 O GLN A 23 14.810 -15.710 15.523 1.00 0.00 O ATOM 286 CB GLN A 23 16.546 -17.450 16.820 1.00 0.00 C ATOM 287 CG GLN A 23 15.986 -18.622 17.628 1.00 0.00 C ATOM 288 CD GLN A 23 14.950 -18.142 18.647 1.00 0.00 C ATOM 289 OE1 GLN A 23 14.275 -17.143 18.460 1.00 0.00 O ATOM 290 NE2 GLN A 23 14.863 -18.907 19.731 1.00 0.00 N ATOM 0 H GLN A 23 17.361 -16.489 13.959 1.00 0.00 H new ATOM 0 HA GLN A 23 15.970 -18.661 15.163 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.622 -17.378 16.975 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.109 -16.517 17.176 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.530 -19.347 16.954 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.799 -19.134 18.144 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.458 -19.730 19.824 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.201 -18.671 20.470 1.00 0.00 H new ATOM 299 N GLY A 24 14.428 -17.152 13.823 1.00 0.00 N ATOM 300 CA GLY A 24 13.297 -16.406 13.298 1.00 0.00 C ATOM 301 C GLY A 24 13.687 -14.958 12.995 1.00 0.00 C ATOM 302 O GLY A 24 14.739 -14.492 13.429 1.00 0.00 O ATOM 0 H GLY A 24 14.658 -18.000 13.304 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.931 -16.885 12.390 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.480 -16.423 14.019 1.00 0.00 H new ATOM 306 N ARG A 25 12.819 -14.287 12.253 1.00 0.00 N ATOM 307 CA ARG A 25 13.060 -12.902 11.887 1.00 0.00 C ATOM 308 C ARG A 25 11.743 -12.212 11.525 1.00 0.00 C ATOM 309 O ARG A 25 10.735 -12.876 11.288 1.00 0.00 O ATOM 310 CB ARG A 25 14.022 -12.804 10.701 1.00 0.00 C ATOM 311 CG ARG A 25 13.397 -13.399 9.438 1.00 0.00 C ATOM 312 CD ARG A 25 13.314 -12.354 8.323 1.00 0.00 C ATOM 313 NE ARG A 25 12.929 -13.002 7.050 1.00 0.00 N ATOM 314 CZ ARG A 25 12.703 -12.338 5.907 1.00 0.00 C ATOM 315 NH1 ARG A 25 12.822 -11.004 5.873 1.00 0.00 N ATOM 316 NH2 ARG A 25 12.359 -13.009 4.800 1.00 0.00 N ATOM 0 H ARG A 25 11.947 -14.677 11.895 1.00 0.00 H new ATOM 0 HA ARG A 25 13.510 -12.406 12.747 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.283 -11.760 10.525 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.948 -13.329 10.935 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.989 -14.250 9.101 1.00 0.00 H new ATOM 0 HG3 ARG A 25 12.399 -13.775 9.664 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.585 -11.587 8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 25 14.276 -11.854 8.210 1.00 0.00 H new ATOM 0 HE ARG A 25 12.829 -14.017 7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.084 -10.494 6.716 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.650 -10.499 5.004 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.269 -14.025 4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.187 -12.504 3.930 1.00 0.00 H new ATOM 330 N VAL A 26 11.795 -10.888 11.493 1.00 0.00 N ATOM 331 CA VAL A 26 10.619 -10.101 11.164 1.00 0.00 C ATOM 332 C VAL A 26 10.747 -9.575 9.733 1.00 0.00 C ATOM 333 O VAL A 26 11.855 -9.366 9.241 1.00 0.00 O ATOM 334 CB VAL A 26 10.429 -8.987 12.195 1.00 0.00 C ATOM 335 CG1 VAL A 26 9.084 -8.284 12.001 1.00 0.00 C ATOM 336 CG2 VAL A 26 10.564 -9.530 13.619 1.00 0.00 C ATOM 0 H VAL A 26 12.633 -10.341 11.690 1.00 0.00 H new ATOM 0 HA VAL A 26 9.722 -10.719 11.205 1.00 0.00 H new ATOM 0 HB VAL A 26 11.217 -8.250 12.041 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.974 -7.497 12.747 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.042 -7.847 11.003 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.276 -9.007 12.115 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.425 -8.718 14.333 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.808 -10.297 13.789 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.556 -9.963 13.751 1.00 0.00 H new ATOM 346 N ALA A 27 9.597 -9.377 9.104 1.00 0.00 N ATOM 347 CA ALA A 27 9.567 -8.880 7.739 1.00 0.00 C ATOM 348 C ALA A 27 9.361 -7.364 7.758 1.00 0.00 C ATOM 349 O ALA A 27 10.239 -6.610 7.340 1.00 0.00 O ATOM 350 CB ALA A 27 8.473 -9.607 6.955 1.00 0.00 C ATOM 0 H ALA A 27 8.680 -9.552 9.515 1.00 0.00 H new ATOM 0 HA ALA A 27 10.514 -9.078 7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.450 -9.234 5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.681 -10.677 6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.507 -9.429 7.427 1.00 0.00 H new ATOM 356 N ALA A 28 8.197 -6.963 8.247 1.00 0.00 N ATOM 357 CA ALA A 28 7.865 -5.550 8.325 1.00 0.00 C ATOM 358 C ALA A 28 9.106 -4.762 8.750 1.00 0.00 C ATOM 359 O ALA A 28 9.542 -4.854 9.896 1.00 0.00 O ATOM 360 CB ALA A 28 6.692 -5.354 9.288 1.00 0.00 C ATOM 0 H ALA A 28 7.472 -7.591 8.593 1.00 0.00 H new ATOM 0 HA ALA A 28 7.553 -5.174 7.350 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.443 -4.295 9.347 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.827 -5.911 8.926 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.969 -5.717 10.278 1.00 0.00 H new ATOM 366 N SER A 29 9.640 -4.005 7.803 1.00 0.00 N ATOM 367 CA SER A 29 10.821 -3.201 8.064 1.00 0.00 C ATOM 368 C SER A 29 10.460 -1.715 8.039 1.00 0.00 C ATOM 369 O SER A 29 9.634 -1.287 7.233 1.00 0.00 O ATOM 370 CB SER A 29 11.925 -3.496 7.046 1.00 0.00 C ATOM 371 OG SER A 29 12.389 -4.841 7.136 1.00 0.00 O ATOM 0 H SER A 29 9.276 -3.932 6.853 1.00 0.00 H new ATOM 0 HA SER A 29 11.198 -3.460 9.054 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.550 -3.308 6.040 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.759 -2.813 7.208 1.00 0.00 H new ATOM 0 HG SER A 29 11.622 -5.449 7.192 1.00 0.00 H new ATOM 377 N GLU A 30 11.095 -0.969 8.930 1.00 0.00 N ATOM 378 CA GLU A 30 10.850 0.461 9.020 1.00 0.00 C ATOM 379 C GLU A 30 10.663 1.056 7.623 1.00 0.00 C ATOM 380 O GLU A 30 9.730 1.823 7.391 1.00 0.00 O ATOM 381 CB GLU A 30 11.984 1.165 9.769 1.00 0.00 C ATOM 382 CG GLU A 30 11.515 2.505 10.338 1.00 0.00 C ATOM 383 CD GLU A 30 12.541 3.607 10.065 1.00 0.00 C ATOM 384 OE1 GLU A 30 13.744 3.319 10.248 1.00 0.00 O ATOM 385 OE2 GLU A 30 12.100 4.711 9.680 1.00 0.00 O ATOM 0 H GLU A 30 11.779 -1.327 9.596 1.00 0.00 H new ATOM 0 HA GLU A 30 9.932 0.618 9.586 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.342 0.527 10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.825 1.326 9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.557 2.777 9.894 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.354 2.411 11.412 1.00 0.00 H new ATOM 392 N GLU A 31 11.566 0.680 6.729 1.00 0.00 N ATOM 393 CA GLU A 31 11.512 1.168 5.361 1.00 0.00 C ATOM 394 C GLU A 31 10.082 1.079 4.822 1.00 0.00 C ATOM 395 O GLU A 31 9.545 2.063 4.315 1.00 0.00 O ATOM 396 CB GLU A 31 12.484 0.397 4.465 1.00 0.00 C ATOM 397 CG GLU A 31 13.731 1.230 4.165 1.00 0.00 C ATOM 398 CD GLU A 31 14.735 1.150 5.316 1.00 0.00 C ATOM 399 OE1 GLU A 31 15.080 0.009 5.690 1.00 0.00 O ATOM 400 OE2 GLU A 31 15.135 2.233 5.796 1.00 0.00 O ATOM 0 H GLU A 31 12.339 0.044 6.925 1.00 0.00 H new ATOM 0 HA GLU A 31 11.817 2.214 5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.773 -0.534 4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.989 0.128 3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.197 0.875 3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.447 2.269 3.997 1.00 0.00 H new ATOM 407 N GLN A 32 9.508 -0.108 4.950 1.00 0.00 N ATOM 408 CA GLN A 32 8.152 -0.337 4.482 1.00 0.00 C ATOM 409 C GLN A 32 7.150 0.398 5.376 1.00 0.00 C ATOM 410 O GLN A 32 6.358 1.206 4.893 1.00 0.00 O ATOM 411 CB GLN A 32 7.838 -1.833 4.423 1.00 0.00 C ATOM 412 CG GLN A 32 8.920 -2.590 3.650 1.00 0.00 C ATOM 413 CD GLN A 32 9.071 -4.019 4.175 1.00 0.00 C ATOM 414 OE1 GLN A 32 9.336 -4.254 5.342 1.00 0.00 O ATOM 415 NE2 GLN A 32 8.887 -4.957 3.251 1.00 0.00 N ATOM 0 H GLN A 32 9.957 -0.921 5.371 1.00 0.00 H new ATOM 0 HA GLN A 32 8.066 0.060 3.470 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.762 -2.232 5.434 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.870 -1.987 3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.666 -2.613 2.590 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.871 -2.064 3.739 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.667 -4.691 2.291 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.965 -5.943 3.502 1.00 0.00 H new ATOM 424 N ILE A 33 7.219 0.092 6.663 1.00 0.00 N ATOM 425 CA ILE A 33 6.329 0.714 7.629 1.00 0.00 C ATOM 426 C ILE A 33 6.197 2.204 7.309 1.00 0.00 C ATOM 427 O ILE A 33 5.091 2.743 7.286 1.00 0.00 O ATOM 428 CB ILE A 33 6.804 0.431 9.055 1.00 0.00 C ATOM 429 CG1 ILE A 33 6.583 -1.037 9.426 1.00 0.00 C ATOM 430 CG2 ILE A 33 6.138 1.380 10.053 1.00 0.00 C ATOM 431 CD1 ILE A 33 7.914 -1.739 9.704 1.00 0.00 C ATOM 0 H ILE A 33 7.877 -0.578 7.060 1.00 0.00 H new ATOM 0 HA ILE A 33 5.330 0.283 7.559 1.00 0.00 H new ATOM 0 HB ILE A 33 7.877 0.617 9.100 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.943 -1.101 10.306 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.062 -1.546 8.615 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.493 1.157 11.059 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.389 2.410 9.799 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.057 1.250 10.013 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.728 -2.781 9.965 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.542 -1.694 8.814 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.421 -1.242 10.531 1.00 0.00 H new ATOM 443 N GLN A 34 7.341 2.829 7.070 1.00 0.00 N ATOM 444 CA GLN A 34 7.367 4.247 6.752 1.00 0.00 C ATOM 445 C GLN A 34 6.784 4.489 5.359 1.00 0.00 C ATOM 446 O GLN A 34 5.860 5.286 5.199 1.00 0.00 O ATOM 447 CB GLN A 34 8.787 4.806 6.858 1.00 0.00 C ATOM 448 CG GLN A 34 9.290 4.757 8.302 1.00 0.00 C ATOM 449 CD GLN A 34 8.602 5.823 9.158 1.00 0.00 C ATOM 450 OE1 GLN A 34 7.808 6.618 8.685 1.00 0.00 O ATOM 451 NE2 GLN A 34 8.951 5.793 10.441 1.00 0.00 N ATOM 0 H GLN A 34 8.256 2.380 7.090 1.00 0.00 H new ATOM 0 HA GLN A 34 6.749 4.775 7.479 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.456 4.232 6.217 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.804 5.835 6.498 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.102 3.770 8.723 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.369 4.911 8.321 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.623 5.100 10.771 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.547 6.463 11.095 1.00 0.00 H new ATOM 460 N LYS A 35 7.348 3.788 4.386 1.00 0.00 N ATOM 461 CA LYS A 35 6.896 3.918 3.012 1.00 0.00 C ATOM 462 C LYS A 35 5.367 3.871 2.976 1.00 0.00 C ATOM 463 O LYS A 35 4.747 4.415 2.063 1.00 0.00 O ATOM 464 CB LYS A 35 7.564 2.864 2.126 1.00 0.00 C ATOM 465 CG LYS A 35 8.648 3.493 1.249 1.00 0.00 C ATOM 466 CD LYS A 35 9.662 2.443 0.791 1.00 0.00 C ATOM 467 CE LYS A 35 9.425 2.051 -0.669 1.00 0.00 C ATOM 468 NZ LYS A 35 10.705 1.708 -1.328 1.00 0.00 N ATOM 0 H LYS A 35 8.114 3.128 4.523 1.00 0.00 H new ATOM 0 HA LYS A 35 7.196 4.883 2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.002 2.085 2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.814 2.385 1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.189 3.964 0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.159 4.279 1.805 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.673 2.834 0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.587 1.560 1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.745 1.201 -0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.945 2.874 -1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.526 1.444 -2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.342 2.530 -1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.148 0.909 -0.832 1.00 0.00 H new ATOM 482 N LEU A 36 4.803 3.215 3.979 1.00 0.00 N ATOM 483 CA LEU A 36 3.359 3.090 4.074 1.00 0.00 C ATOM 484 C LEU A 36 2.818 4.172 5.011 1.00 0.00 C ATOM 485 O LEU A 36 1.909 4.916 4.646 1.00 0.00 O ATOM 486 CB LEU A 36 2.970 1.668 4.487 1.00 0.00 C ATOM 487 CG LEU A 36 3.238 0.573 3.453 1.00 0.00 C ATOM 488 CD1 LEU A 36 2.706 -0.778 3.935 1.00 0.00 C ATOM 489 CD2 LEU A 36 2.670 0.958 2.085 1.00 0.00 C ATOM 0 H LEU A 36 5.320 2.764 4.734 1.00 0.00 H new ATOM 0 HA LEU A 36 2.898 3.252 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.508 1.416 5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.907 1.659 4.729 1.00 0.00 H new ATOM 0 HG LEU A 36 4.317 0.471 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.909 -1.539 3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.198 -1.051 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.631 -0.708 4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.875 0.162 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.593 1.105 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.137 1.882 1.744 1.00 0.00 H new ATOM 501 N VAL A 37 3.399 4.224 6.201 1.00 0.00 N ATOM 502 CA VAL A 37 2.986 5.202 7.192 1.00 0.00 C ATOM 503 C VAL A 37 3.014 6.598 6.568 1.00 0.00 C ATOM 504 O VAL A 37 2.276 7.487 6.991 1.00 0.00 O ATOM 505 CB VAL A 37 3.866 5.087 8.439 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.646 6.275 9.377 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.620 3.762 9.163 1.00 0.00 C ATOM 0 H VAL A 37 4.152 3.605 6.501 1.00 0.00 H new ATOM 0 HA VAL A 37 1.962 5.010 7.514 1.00 0.00 H new ATOM 0 HB VAL A 37 4.907 5.104 8.117 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.283 6.168 10.255 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.896 7.200 8.857 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.602 6.304 9.688 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.258 3.706 10.045 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.575 3.702 9.466 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.852 2.933 8.494 1.00 0.00 H new ATOM 517 N ALA A 38 3.874 6.749 5.571 1.00 0.00 N ATOM 518 CA ALA A 38 4.008 8.022 4.884 1.00 0.00 C ATOM 519 C ALA A 38 2.832 8.203 3.922 1.00 0.00 C ATOM 520 O ALA A 38 2.398 9.327 3.671 1.00 0.00 O ATOM 521 CB ALA A 38 5.360 8.077 4.169 1.00 0.00 C ATOM 0 H ALA A 38 4.485 6.010 5.223 1.00 0.00 H new ATOM 0 HA ALA A 38 3.982 8.847 5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.460 9.032 3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.162 7.973 4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.422 7.265 3.444 1.00 0.00 H new ATOM 527 N MET A 39 2.350 7.081 3.409 1.00 0.00 N ATOM 528 CA MET A 39 1.233 7.102 2.480 1.00 0.00 C ATOM 529 C MET A 39 -0.070 7.462 3.197 1.00 0.00 C ATOM 530 O MET A 39 -0.987 8.010 2.587 1.00 0.00 O ATOM 531 CB MET A 39 1.091 5.729 1.821 1.00 0.00 C ATOM 532 CG MET A 39 2.276 5.439 0.897 1.00 0.00 C ATOM 533 SD MET A 39 1.730 5.402 -0.802 1.00 0.00 S ATOM 534 CE MET A 39 2.753 4.079 -1.427 1.00 0.00 C ATOM 0 H MET A 39 2.713 6.151 3.619 1.00 0.00 H new ATOM 0 HA MET A 39 1.430 7.860 1.722 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.027 4.958 2.589 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.163 5.689 1.251 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.043 6.203 1.025 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.730 4.484 1.163 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.539 3.922 -2.484 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.804 4.343 -1.305 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.542 3.164 -0.874 1.00 0.00 H new ATOM 544 N GLY A 40 -0.109 7.139 4.481 1.00 0.00 N ATOM 545 CA GLY A 40 -1.285 7.422 5.288 1.00 0.00 C ATOM 546 C GLY A 40 -1.833 6.143 5.924 1.00 0.00 C ATOM 547 O GLY A 40 -3.047 5.962 6.016 1.00 0.00 O ATOM 0 H GLY A 40 0.654 6.684 4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.031 8.140 6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.054 7.883 4.668 1.00 0.00 H new ATOM 551 N PHE A 41 -0.913 5.288 6.346 1.00 0.00 N ATOM 552 CA PHE A 41 -1.290 4.031 6.970 1.00 0.00 C ATOM 553 C PHE A 41 -0.751 3.946 8.400 1.00 0.00 C ATOM 554 O PHE A 41 0.208 4.633 8.747 1.00 0.00 O ATOM 555 CB PHE A 41 -0.665 2.912 6.135 1.00 0.00 C ATOM 556 CG PHE A 41 -1.369 2.666 4.798 1.00 0.00 C ATOM 557 CD1 PHE A 41 -2.726 2.589 4.748 1.00 0.00 C ATOM 558 CD2 PHE A 41 -0.637 2.524 3.661 1.00 0.00 C ATOM 559 CE1 PHE A 41 -3.379 2.361 3.508 1.00 0.00 C ATOM 560 CE2 PHE A 41 -1.290 2.296 2.421 1.00 0.00 C ATOM 561 CZ PHE A 41 -2.647 2.219 2.371 1.00 0.00 C ATOM 0 H PHE A 41 0.092 5.441 6.268 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.376 3.948 7.014 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.380 3.155 5.944 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.677 1.989 6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.307 2.701 5.652 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.441 2.585 3.701 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.457 2.300 3.468 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.709 2.184 1.517 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.143 2.045 1.428 1.00 0.00 H new ATOM 571 N ASP A 42 -1.391 3.096 9.190 1.00 0.00 N ATOM 572 CA ASP A 42 -0.988 2.912 10.573 1.00 0.00 C ATOM 573 C ASP A 42 0.097 1.836 10.645 1.00 0.00 C ATOM 574 O ASP A 42 -0.040 0.770 10.047 1.00 0.00 O ATOM 575 CB ASP A 42 -2.167 2.453 11.434 1.00 0.00 C ATOM 576 CG ASP A 42 -2.104 2.885 12.900 1.00 0.00 C ATOM 577 OD1 ASP A 42 -1.515 2.119 13.693 1.00 0.00 O ATOM 578 OD2 ASP A 42 -2.647 3.972 13.195 1.00 0.00 O ATOM 0 H ASP A 42 -2.186 2.527 8.898 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.619 3.867 10.946 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.088 2.838 10.997 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.225 1.365 11.394 1.00 0.00 H new ATOM 583 N ARG A 43 1.152 2.153 11.382 1.00 0.00 N ATOM 584 CA ARG A 43 2.260 1.226 11.540 1.00 0.00 C ATOM 585 C ARG A 43 1.740 -0.207 11.663 1.00 0.00 C ATOM 586 O ARG A 43 2.198 -1.101 10.953 1.00 0.00 O ATOM 587 CB ARG A 43 3.091 1.568 12.778 1.00 0.00 C ATOM 588 CG ARG A 43 4.350 0.701 12.849 1.00 0.00 C ATOM 589 CD ARG A 43 5.499 1.457 13.521 1.00 0.00 C ATOM 590 NE ARG A 43 6.776 0.745 13.291 1.00 0.00 N ATOM 591 CZ ARG A 43 7.973 1.204 13.681 1.00 0.00 C ATOM 592 NH1 ARG A 43 8.064 2.377 14.322 1.00 0.00 N ATOM 593 NH2 ARG A 43 9.079 0.490 13.429 1.00 0.00 N ATOM 0 H ARG A 43 1.263 3.038 11.876 1.00 0.00 H new ATOM 0 HA ARG A 43 2.893 1.311 10.656 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.371 2.621 12.753 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.491 1.419 13.676 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.136 -0.212 13.405 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.646 0.400 11.844 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.561 2.470 13.123 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.310 1.546 14.591 1.00 0.00 H new ATOM 0 HE ARG A 43 6.743 -0.151 12.805 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.222 2.920 14.513 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.975 2.727 14.619 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.009 -0.403 12.940 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.990 0.839 13.726 1.00 0.00 H new ATOM 607 N THR A 44 0.790 -0.382 12.569 1.00 0.00 N ATOM 608 CA THR A 44 0.203 -1.692 12.795 1.00 0.00 C ATOM 609 C THR A 44 -0.319 -2.276 11.480 1.00 0.00 C ATOM 610 O THR A 44 0.008 -3.407 11.126 1.00 0.00 O ATOM 611 CB THR A 44 -0.879 -1.548 13.867 1.00 0.00 C ATOM 612 OG1 THR A 44 -0.197 -0.958 14.971 1.00 0.00 O ATOM 613 CG2 THR A 44 -1.357 -2.899 14.403 1.00 0.00 C ATOM 0 H THR A 44 0.412 0.362 13.156 1.00 0.00 H new ATOM 0 HA THR A 44 0.947 -2.401 13.158 1.00 0.00 H new ATOM 0 HB THR A 44 -1.727 -1.001 13.455 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.825 -0.827 15.712 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.124 -2.739 15.161 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.772 -3.489 13.585 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.516 -3.433 14.845 1.00 0.00 H new ATOM 621 N GLN A 45 -1.123 -1.477 10.793 1.00 0.00 N ATOM 622 CA GLN A 45 -1.693 -1.901 9.525 1.00 0.00 C ATOM 623 C GLN A 45 -0.598 -2.443 8.605 1.00 0.00 C ATOM 624 O GLN A 45 -0.782 -3.469 7.952 1.00 0.00 O ATOM 625 CB GLN A 45 -2.454 -0.754 8.856 1.00 0.00 C ATOM 626 CG GLN A 45 -3.666 -0.338 9.692 1.00 0.00 C ATOM 627 CD GLN A 45 -4.954 -0.425 8.871 1.00 0.00 C ATOM 628 OE1 GLN A 45 -5.938 -1.023 9.274 1.00 0.00 O ATOM 629 NE2 GLN A 45 -4.892 0.203 7.700 1.00 0.00 N ATOM 0 H GLN A 45 -1.393 -0.539 11.090 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.406 -2.702 9.719 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.789 0.100 8.723 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.781 -1.061 7.863 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.745 -0.981 10.569 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.530 0.681 10.055 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.036 0.685 7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.700 0.203 7.078 1.00 0.00 H new ATOM 638 N VAL A 46 0.518 -1.730 8.582 1.00 0.00 N ATOM 639 CA VAL A 46 1.643 -2.127 7.753 1.00 0.00 C ATOM 640 C VAL A 46 2.193 -3.465 8.252 1.00 0.00 C ATOM 641 O VAL A 46 2.075 -4.481 7.570 1.00 0.00 O ATOM 642 CB VAL A 46 2.697 -1.017 7.735 1.00 0.00 C ATOM 643 CG1 VAL A 46 3.750 -1.279 6.656 1.00 0.00 C ATOM 644 CG2 VAL A 46 2.046 0.354 7.545 1.00 0.00 C ATOM 0 H VAL A 46 0.667 -0.879 9.124 1.00 0.00 H new ATOM 0 HA VAL A 46 1.324 -2.272 6.721 1.00 0.00 H new ATOM 0 HB VAL A 46 3.201 -1.017 8.702 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.487 -0.476 6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.246 -2.229 6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.268 -1.319 5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.817 1.125 7.536 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.504 0.372 6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.353 0.544 8.364 1.00 0.00 H new ATOM 654 N GLU A 47 2.780 -3.421 9.439 1.00 0.00 N ATOM 655 CA GLU A 47 3.348 -4.617 10.038 1.00 0.00 C ATOM 656 C GLU A 47 2.457 -5.828 9.752 1.00 0.00 C ATOM 657 O GLU A 47 2.922 -6.834 9.219 1.00 0.00 O ATOM 658 CB GLU A 47 3.555 -4.432 11.542 1.00 0.00 C ATOM 659 CG GLU A 47 4.661 -3.412 11.821 1.00 0.00 C ATOM 660 CD GLU A 47 5.463 -3.800 13.066 1.00 0.00 C ATOM 661 OE1 GLU A 47 4.905 -3.637 14.173 1.00 0.00 O ATOM 662 OE2 GLU A 47 6.614 -4.249 12.882 1.00 0.00 O ATOM 0 H GLU A 47 2.875 -2.576 10.002 1.00 0.00 H new ATOM 0 HA GLU A 47 4.325 -4.795 9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.625 -4.100 12.003 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.813 -5.388 11.998 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.327 -3.348 10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.223 -2.424 11.960 1.00 0.00 H new ATOM 669 N VAL A 48 1.191 -5.690 10.119 1.00 0.00 N ATOM 670 CA VAL A 48 0.230 -6.760 9.909 1.00 0.00 C ATOM 671 C VAL A 48 0.312 -7.235 8.457 1.00 0.00 C ATOM 672 O VAL A 48 0.372 -8.435 8.195 1.00 0.00 O ATOM 673 CB VAL A 48 -1.171 -6.291 10.307 1.00 0.00 C ATOM 674 CG1 VAL A 48 -2.229 -7.317 9.897 1.00 0.00 C ATOM 675 CG2 VAL A 48 -1.245 -5.996 11.806 1.00 0.00 C ATOM 0 H VAL A 48 0.809 -4.854 10.560 1.00 0.00 H new ATOM 0 HA VAL A 48 0.464 -7.614 10.544 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.379 -5.364 9.773 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.216 -6.960 10.191 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.201 -7.456 8.816 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.025 -8.267 10.391 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.251 -5.665 12.062 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.007 -6.900 12.367 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.530 -5.213 12.059 1.00 0.00 H new ATOM 685 N ALA A 49 0.311 -6.268 7.551 1.00 0.00 N ATOM 686 CA ALA A 49 0.384 -6.572 6.132 1.00 0.00 C ATOM 687 C ALA A 49 1.717 -7.259 5.829 1.00 0.00 C ATOM 688 O ALA A 49 1.743 -8.418 5.421 1.00 0.00 O ATOM 689 CB ALA A 49 0.193 -5.287 5.323 1.00 0.00 C ATOM 0 H ALA A 49 0.261 -5.274 7.772 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.413 -7.259 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.248 -5.516 4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.781 -4.855 5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.976 -4.574 5.582 1.00 0.00 H new ATOM 695 N LEU A 50 2.792 -6.513 6.043 1.00 0.00 N ATOM 696 CA LEU A 50 4.125 -7.036 5.798 1.00 0.00 C ATOM 697 C LEU A 50 4.184 -8.499 6.241 1.00 0.00 C ATOM 698 O LEU A 50 4.813 -9.326 5.583 1.00 0.00 O ATOM 699 CB LEU A 50 5.179 -6.149 6.464 1.00 0.00 C ATOM 700 CG LEU A 50 5.488 -4.828 5.756 1.00 0.00 C ATOM 701 CD1 LEU A 50 6.454 -5.045 4.590 1.00 0.00 C ATOM 702 CD2 LEU A 50 4.201 -4.129 5.313 1.00 0.00 C ATOM 0 H LEU A 50 2.766 -5.552 6.383 1.00 0.00 H new ATOM 0 HA LEU A 50 4.352 -7.016 4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.849 -5.926 7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.104 -6.719 6.548 1.00 0.00 H new ATOM 0 HG LEU A 50 5.984 -4.167 6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.657 -4.091 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.387 -5.468 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.007 -5.731 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.449 -3.193 4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.655 -4.774 4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.581 -3.921 6.185 1.00 0.00 H new ATOM 714 N ALA A 51 3.520 -8.774 7.355 1.00 0.00 N ATOM 715 CA ALA A 51 3.490 -10.123 7.894 1.00 0.00 C ATOM 716 C ALA A 51 2.891 -11.070 6.852 1.00 0.00 C ATOM 717 O ALA A 51 3.505 -12.074 6.494 1.00 0.00 O ATOM 718 CB ALA A 51 2.705 -10.130 9.208 1.00 0.00 C ATOM 0 H ALA A 51 2.999 -8.086 7.898 1.00 0.00 H new ATOM 0 HA ALA A 51 4.499 -10.471 8.115 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.682 -11.142 9.613 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.187 -9.464 9.923 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.686 -9.789 9.025 1.00 0.00 H new ATOM 724 N ALA A 52 1.698 -10.718 6.395 1.00 0.00 N ATOM 725 CA ALA A 52 1.010 -11.524 5.401 1.00 0.00 C ATOM 726 C ALA A 52 1.597 -11.233 4.019 1.00 0.00 C ATOM 727 O ALA A 52 1.191 -11.839 3.028 1.00 0.00 O ATOM 728 CB ALA A 52 -0.493 -11.242 5.467 1.00 0.00 C ATOM 0 H ALA A 52 1.191 -9.886 6.695 1.00 0.00 H new ATOM 0 HA ALA A 52 1.152 -12.586 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.010 -11.846 4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.867 -11.492 6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.674 -10.186 5.267 1.00 0.00 H new ATOM 734 N ALA A 53 2.544 -10.307 3.996 1.00 0.00 N ATOM 735 CA ALA A 53 3.191 -9.929 2.751 1.00 0.00 C ATOM 736 C ALA A 53 4.525 -10.670 2.629 1.00 0.00 C ATOM 737 O ALA A 53 5.021 -10.883 1.525 1.00 0.00 O ATOM 738 CB ALA A 53 3.362 -8.409 2.706 1.00 0.00 C ATOM 0 H ALA A 53 2.879 -9.807 4.820 1.00 0.00 H new ATOM 0 HA ALA A 53 2.577 -10.214 1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.847 -8.125 1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.384 -7.931 2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.976 -8.087 3.547 1.00 0.00 H new ATOM 744 N ASP A 54 5.066 -11.041 3.780 1.00 0.00 N ATOM 745 CA ASP A 54 6.332 -11.753 3.816 1.00 0.00 C ATOM 746 C ASP A 54 7.460 -10.801 3.413 1.00 0.00 C ATOM 747 O ASP A 54 8.325 -11.160 2.616 1.00 0.00 O ATOM 748 CB ASP A 54 6.332 -12.927 2.835 1.00 0.00 C ATOM 749 CG ASP A 54 7.110 -14.159 3.301 1.00 0.00 C ATOM 750 OD1 ASP A 54 8.347 -14.033 3.430 1.00 0.00 O ATOM 751 OD2 ASP A 54 6.451 -15.199 3.517 1.00 0.00 O ATOM 0 H ASP A 54 4.651 -10.862 4.694 1.00 0.00 H new ATOM 0 HA ASP A 54 6.478 -12.129 4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.300 -13.219 2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.750 -12.589 1.887 1.00 0.00 H new ATOM 756 N ASP A 55 7.413 -9.605 3.983 1.00 0.00 N ATOM 757 CA ASP A 55 8.420 -8.599 3.693 1.00 0.00 C ATOM 758 C ASP A 55 8.240 -8.101 2.257 1.00 0.00 C ATOM 759 O ASP A 55 9.209 -7.724 1.601 1.00 0.00 O ATOM 760 CB ASP A 55 9.831 -9.179 3.818 1.00 0.00 C ATOM 761 CG ASP A 55 10.949 -8.141 3.934 1.00 0.00 C ATOM 762 OD1 ASP A 55 10.965 -7.436 4.966 1.00 0.00 O ATOM 763 OD2 ASP A 55 11.762 -8.075 2.987 1.00 0.00 O ATOM 0 H ASP A 55 6.694 -9.311 4.644 1.00 0.00 H new ATOM 0 HA ASP A 55 8.299 -7.786 4.409 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.865 -9.827 4.694 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.028 -9.807 2.949 1.00 0.00 H new ATOM 768 N ASP A 56 6.992 -8.118 1.812 1.00 0.00 N ATOM 769 CA ASP A 56 6.672 -7.673 0.466 1.00 0.00 C ATOM 770 C ASP A 56 5.798 -6.419 0.543 1.00 0.00 C ATOM 771 O ASP A 56 4.660 -6.478 1.005 1.00 0.00 O ATOM 772 CB ASP A 56 5.893 -8.745 -0.298 1.00 0.00 C ATOM 773 CG ASP A 56 5.829 -8.542 -1.813 1.00 0.00 C ATOM 774 OD1 ASP A 56 5.655 -7.374 -2.222 1.00 0.00 O ATOM 775 OD2 ASP A 56 5.956 -9.560 -2.528 1.00 0.00 O ATOM 0 H ASP A 56 6.191 -8.433 2.359 1.00 0.00 H new ATOM 0 HA ASP A 56 7.608 -7.469 -0.053 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.346 -9.715 -0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.876 -8.781 0.092 1.00 0.00 H new ATOM 780 N LEU A 57 6.365 -5.313 0.082 1.00 0.00 N ATOM 781 CA LEU A 57 5.652 -4.047 0.092 1.00 0.00 C ATOM 782 C LEU A 57 4.534 -4.088 -0.952 1.00 0.00 C ATOM 783 O LEU A 57 3.357 -3.978 -0.611 1.00 0.00 O ATOM 784 CB LEU A 57 6.626 -2.882 -0.095 1.00 0.00 C ATOM 785 CG LEU A 57 6.638 -1.833 1.018 1.00 0.00 C ATOM 786 CD1 LEU A 57 7.801 -0.855 0.838 1.00 0.00 C ATOM 787 CD2 LEU A 57 5.292 -1.111 1.106 1.00 0.00 C ATOM 0 H LEU A 57 7.309 -5.268 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 57 5.179 -3.884 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.632 -3.288 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.389 -2.383 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 57 6.792 -2.346 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.786 -0.120 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.744 -1.402 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.703 -0.346 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.328 -0.371 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.084 -0.613 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.504 -1.834 1.317 1.00 0.00 H new ATOM 799 N THR A 58 4.942 -4.245 -2.203 1.00 0.00 N ATOM 800 CA THR A 58 3.989 -4.302 -3.299 1.00 0.00 C ATOM 801 C THR A 58 2.730 -5.059 -2.873 1.00 0.00 C ATOM 802 O THR A 58 1.617 -4.662 -3.214 1.00 0.00 O ATOM 803 CB THR A 58 4.694 -4.924 -4.506 1.00 0.00 C ATOM 804 OG1 THR A 58 5.546 -3.887 -4.983 1.00 0.00 O ATOM 805 CG2 THR A 58 3.737 -5.187 -5.671 1.00 0.00 C ATOM 0 H THR A 58 5.919 -4.334 -2.482 1.00 0.00 H new ATOM 0 HA THR A 58 3.650 -3.305 -3.581 1.00 0.00 H new ATOM 0 HB THR A 58 5.168 -5.859 -4.208 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.043 -4.206 -5.765 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.288 -5.629 -6.502 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.953 -5.873 -5.350 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.288 -4.247 -5.992 1.00 0.00 H new ATOM 813 N VAL A 59 2.948 -6.136 -2.133 1.00 0.00 N ATOM 814 CA VAL A 59 1.845 -6.953 -1.656 1.00 0.00 C ATOM 815 C VAL A 59 1.187 -6.265 -0.459 1.00 0.00 C ATOM 816 O VAL A 59 -0.037 -6.150 -0.400 1.00 0.00 O ATOM 817 CB VAL A 59 2.339 -8.365 -1.337 1.00 0.00 C ATOM 818 CG1 VAL A 59 1.182 -9.265 -0.898 1.00 0.00 C ATOM 819 CG2 VAL A 59 3.081 -8.970 -2.531 1.00 0.00 C ATOM 0 H VAL A 59 3.873 -6.462 -1.852 1.00 0.00 H new ATOM 0 HA VAL A 59 1.084 -7.057 -2.430 1.00 0.00 H new ATOM 0 HB VAL A 59 3.042 -8.294 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.561 -10.263 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.715 -8.848 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.444 -9.326 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.421 -9.974 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.410 -9.020 -3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.941 -8.347 -2.779 1.00 0.00 H new ATOM 829 N ALA A 60 2.027 -5.826 0.466 1.00 0.00 N ATOM 830 CA ALA A 60 1.542 -5.152 1.659 1.00 0.00 C ATOM 831 C ALA A 60 0.571 -4.042 1.253 1.00 0.00 C ATOM 832 O ALA A 60 -0.575 -4.021 1.699 1.00 0.00 O ATOM 833 CB ALA A 60 2.730 -4.622 2.464 1.00 0.00 C ATOM 0 H ALA A 60 3.041 -5.924 0.414 1.00 0.00 H new ATOM 0 HA ALA A 60 0.999 -5.847 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.367 -4.116 3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.374 -5.453 2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.297 -3.918 1.855 1.00 0.00 H new ATOM 839 N VAL A 61 1.064 -3.146 0.410 1.00 0.00 N ATOM 840 CA VAL A 61 0.254 -2.036 -0.061 1.00 0.00 C ATOM 841 C VAL A 61 -1.145 -2.545 -0.415 1.00 0.00 C ATOM 842 O VAL A 61 -2.144 -2.003 0.054 1.00 0.00 O ATOM 843 CB VAL A 61 0.951 -1.339 -1.232 1.00 0.00 C ATOM 844 CG1 VAL A 61 0.075 -0.225 -1.806 1.00 0.00 C ATOM 845 CG2 VAL A 61 2.320 -0.800 -0.812 1.00 0.00 C ATOM 0 H VAL A 61 2.015 -3.167 0.041 1.00 0.00 H new ATOM 0 HA VAL A 61 0.139 -1.288 0.723 1.00 0.00 H new ATOM 0 HB VAL A 61 1.109 -2.078 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.593 0.254 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.865 -0.648 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.129 0.514 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.794 -0.310 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.195 -0.082 -0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.947 -1.624 -0.473 1.00 0.00 H new ATOM 855 N GLU A 62 -1.171 -3.581 -1.240 1.00 0.00 N ATOM 856 CA GLU A 62 -2.431 -4.170 -1.663 1.00 0.00 C ATOM 857 C GLU A 62 -3.322 -4.444 -0.449 1.00 0.00 C ATOM 858 O GLU A 62 -4.533 -4.241 -0.506 1.00 0.00 O ATOM 859 CB GLU A 62 -2.195 -5.448 -2.470 1.00 0.00 C ATOM 860 CG GLU A 62 -1.399 -5.153 -3.743 1.00 0.00 C ATOM 861 CD GLU A 62 -2.280 -4.482 -4.798 1.00 0.00 C ATOM 862 OE1 GLU A 62 -2.955 -5.232 -5.535 1.00 0.00 O ATOM 863 OE2 GLU A 62 -2.258 -3.233 -4.845 1.00 0.00 O ATOM 0 H GLU A 62 -0.340 -4.028 -1.627 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.943 -3.459 -2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.657 -6.173 -1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.152 -5.899 -2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.554 -4.507 -3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.989 -6.080 -4.143 1.00 0.00 H new ATOM 870 N ILE A 63 -2.687 -4.902 0.619 1.00 0.00 N ATOM 871 CA ILE A 63 -3.407 -5.207 1.844 1.00 0.00 C ATOM 872 C ILE A 63 -3.901 -3.905 2.477 1.00 0.00 C ATOM 873 O ILE A 63 -5.077 -3.783 2.816 1.00 0.00 O ATOM 874 CB ILE A 63 -2.540 -6.054 2.778 1.00 0.00 C ATOM 875 CG1 ILE A 63 -2.291 -7.443 2.186 1.00 0.00 C ATOM 876 CG2 ILE A 63 -3.155 -6.130 4.178 1.00 0.00 C ATOM 877 CD1 ILE A 63 -1.095 -8.119 2.858 1.00 0.00 C ATOM 0 H ILE A 63 -1.682 -5.069 0.662 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.288 -5.812 1.628 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.570 -5.568 2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.180 -8.061 2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.111 -7.358 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.519 -6.738 4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.239 -5.126 4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.146 -6.581 4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.940 -9.104 2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.203 -7.511 2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.289 -8.224 3.925 1.00 0.00 H new ATOM 889 N LEU A 64 -2.979 -2.964 2.617 1.00 0.00 N ATOM 890 CA LEU A 64 -3.306 -1.676 3.203 1.00 0.00 C ATOM 891 C LEU A 64 -4.431 -1.024 2.396 1.00 0.00 C ATOM 892 O LEU A 64 -5.356 -0.449 2.966 1.00 0.00 O ATOM 893 CB LEU A 64 -2.052 -0.807 3.323 1.00 0.00 C ATOM 894 CG LEU A 64 -1.028 -1.249 4.371 1.00 0.00 C ATOM 895 CD1 LEU A 64 -1.191 -0.453 5.667 1.00 0.00 C ATOM 896 CD2 LEU A 64 -1.106 -2.758 4.611 1.00 0.00 C ATOM 0 H LEU A 64 -2.005 -3.068 2.334 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.675 -1.804 4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.559 -0.779 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.361 0.213 3.553 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.031 -1.035 3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.451 -0.787 6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.046 0.608 5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.192 -0.612 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.368 -3.046 5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.103 -3.019 4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.902 -3.286 3.679 1.00 0.00 H new ATOM 908 N MET A 65 -4.313 -1.136 1.081 1.00 0.00 N ATOM 909 CA MET A 65 -5.308 -0.564 0.189 1.00 0.00 C ATOM 910 C MET A 65 -6.614 -1.360 0.244 1.00 0.00 C ATOM 911 O MET A 65 -7.653 -0.886 -0.214 1.00 0.00 O ATOM 912 CB MET A 65 -4.770 -0.564 -1.243 1.00 0.00 C ATOM 913 CG MET A 65 -3.619 0.434 -1.396 1.00 0.00 C ATOM 914 SD MET A 65 -4.114 1.777 -2.462 1.00 0.00 S ATOM 915 CE MET A 65 -2.571 2.090 -3.303 1.00 0.00 C ATOM 0 H MET A 65 -3.544 -1.614 0.612 1.00 0.00 H new ATOM 0 HA MET A 65 -5.512 0.458 0.509 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.426 -1.564 -1.506 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.571 -0.310 -1.937 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.330 0.822 -0.419 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.745 -0.067 -1.811 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.702 2.907 -4.012 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.808 2.362 -2.574 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.259 1.193 -3.837 1.00 0.00 H new ATOM 925 N SER A 66 -6.518 -2.555 0.807 1.00 0.00 N ATOM 926 CA SER A 66 -7.679 -3.420 0.928 1.00 0.00 C ATOM 927 C SER A 66 -7.423 -4.496 1.985 1.00 0.00 C ATOM 928 O SER A 66 -7.135 -5.644 1.651 1.00 0.00 O ATOM 929 CB SER A 66 -8.025 -4.068 -0.415 1.00 0.00 C ATOM 930 OG SER A 66 -8.272 -3.097 -1.428 1.00 0.00 O ATOM 0 H SER A 66 -5.654 -2.945 1.184 1.00 0.00 H new ATOM 0 HA SER A 66 -8.528 -2.811 1.237 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.206 -4.716 -0.726 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.905 -4.700 -0.297 1.00 0.00 H new ATOM 0 HG SER A 66 -8.433 -2.224 -1.012 1.00 0.00 H new ATOM 936 N GLN A 67 -7.537 -4.085 3.240 1.00 0.00 N ATOM 937 CA GLN A 67 -7.321 -5.000 4.349 1.00 0.00 C ATOM 938 C GLN A 67 -8.589 -5.112 5.198 1.00 0.00 C ATOM 939 O GLN A 67 -8.918 -6.191 5.689 1.00 0.00 O ATOM 940 CB GLN A 67 -6.128 -4.558 5.199 1.00 0.00 C ATOM 941 CG GLN A 67 -6.128 -3.041 5.398 1.00 0.00 C ATOM 942 CD GLN A 67 -5.382 -2.656 6.677 1.00 0.00 C ATOM 943 OE1 GLN A 67 -4.355 -1.998 6.653 1.00 0.00 O ATOM 944 NE2 GLN A 67 -5.954 -3.101 7.792 1.00 0.00 N ATOM 0 H GLN A 67 -7.776 -3.132 3.513 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.091 -5.985 3.944 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.163 -5.055 6.168 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.200 -4.865 4.717 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.660 -2.558 4.540 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.154 -2.677 5.448 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.814 -3.647 7.741 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.533 -2.896 8.698 1.00 0.00 H new ATOM 953 N SER A 68 -9.265 -3.982 5.347 1.00 0.00 N ATOM 954 CA SER A 68 -10.489 -3.940 6.129 1.00 0.00 C ATOM 955 C SER A 68 -11.661 -3.510 5.244 1.00 0.00 C ATOM 956 O SER A 68 -11.485 -3.262 4.052 1.00 0.00 O ATOM 957 CB SER A 68 -10.349 -2.993 7.321 1.00 0.00 C ATOM 958 OG SER A 68 -11.113 -3.428 8.442 1.00 0.00 O ATOM 0 H SER A 68 -8.988 -3.089 4.939 1.00 0.00 H new ATOM 0 HA SER A 68 -10.682 -4.941 6.516 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.299 -2.920 7.604 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.671 -1.993 7.029 1.00 0.00 H new ATOM 0 HG SER A 68 -10.995 -2.797 9.183 1.00 0.00 H new ATOM 964 N GLY A 69 -12.831 -3.434 5.862 1.00 0.00 N ATOM 965 CA GLY A 69 -14.031 -3.037 5.145 1.00 0.00 C ATOM 966 C GLY A 69 -13.879 -1.634 4.556 1.00 0.00 C ATOM 967 O GLY A 69 -13.846 -0.648 5.291 1.00 0.00 O ATOM 0 H GLY A 69 -12.973 -3.641 6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.234 -3.750 4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.887 -3.061 5.820 1.00 0.00 H new ATOM 971 N PRO A 70 -13.790 -1.586 3.200 1.00 0.00 N ATOM 972 CA PRO A 70 -13.643 -0.319 2.503 1.00 0.00 C ATOM 973 C PRO A 70 -14.966 0.449 2.478 1.00 0.00 C ATOM 974 O PRO A 70 -15.935 0.004 1.865 1.00 0.00 O ATOM 975 CB PRO A 70 -13.144 -0.689 1.116 1.00 0.00 C ATOM 976 CG PRO A 70 -13.472 -2.161 0.933 1.00 0.00 C ATOM 977 CD PRO A 70 -13.827 -2.732 2.297 1.00 0.00 C ATOM 0 HA PRO A 70 -12.943 0.355 2.997 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -13.630 -0.083 0.352 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.072 -0.514 1.027 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -14.304 -2.283 0.239 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.621 -2.692 0.507 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.813 -3.197 2.287 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.116 -3.500 2.602 1.00 0.00 H new ATOM 985 N SER A 71 -14.964 1.590 3.151 1.00 0.00 N ATOM 986 CA SER A 71 -16.152 2.425 3.214 1.00 0.00 C ATOM 987 C SER A 71 -16.656 2.724 1.800 1.00 0.00 C ATOM 988 O SER A 71 -15.919 3.263 0.976 1.00 0.00 O ATOM 989 CB SER A 71 -15.871 3.728 3.964 1.00 0.00 C ATOM 990 OG SER A 71 -15.247 3.495 5.224 1.00 0.00 O ATOM 0 H SER A 71 -14.158 1.956 3.658 1.00 0.00 H new ATOM 0 HA SER A 71 -16.923 1.882 3.761 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.231 4.366 3.355 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.806 4.267 4.117 1.00 0.00 H new ATOM 0 HG SER A 71 -15.083 4.351 5.671 1.00 0.00 H new ATOM 996 N SER A 72 -17.908 2.361 1.564 1.00 0.00 N ATOM 997 CA SER A 72 -18.518 2.584 0.264 1.00 0.00 C ATOM 998 C SER A 72 -19.427 3.814 0.317 1.00 0.00 C ATOM 999 O SER A 72 -19.226 4.771 -0.429 1.00 0.00 O ATOM 1000 CB SER A 72 -19.313 1.357 -0.189 1.00 0.00 C ATOM 1001 OG SER A 72 -19.284 1.196 -1.604 1.00 0.00 O ATOM 0 H SER A 72 -18.516 1.914 2.250 1.00 0.00 H new ATOM 0 HA SER A 72 -17.723 2.757 -0.462 1.00 0.00 H new ATOM 0 HB2 SER A 72 -18.905 0.465 0.286 1.00 0.00 H new ATOM 0 HB3 SER A 72 -20.347 1.451 0.144 1.00 0.00 H new ATOM 0 HG SER A 72 -19.801 0.402 -1.854 1.00 0.00 H new ATOM 1007 N GLY A 73 -20.406 3.749 1.207 1.00 0.00 N ATOM 1008 CA GLY A 73 -21.346 4.846 1.367 1.00 0.00 C ATOM 1009 C GLY A 73 -22.789 4.338 1.350 1.00 0.00 C ATOM 1010 O GLY A 73 -23.726 5.114 1.535 1.00 0.00 O ATOM 0 H GLY A 73 -20.569 2.954 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -21.150 5.364 2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -21.203 5.572 0.567 1.00 0.00 H new TER 1014 GLY A 73