USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 592 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 80 GLN : amide:sc= -0.866 K(o=-4,f=-4.5) USER MOD Set 1.2: A 82 MET CE :methyl 143:sc= -3.14! (180deg=-3.55!) USER MOD Set 2.1: A 19 LYS NZ :NH3+ 176:sc= 1.19 (180deg=0) USER MOD Set 2.2: A 93 TYR OH : rot 180:sc= 1 USER MOD Single : A 4 GLN : amide:sc= -0.593 K(o=-0.59,f=-1.3) USER MOD Single : A 5 ASN : amide:sc= -0.611 X(o=-0.61,f=-0.71) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0259 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.711 X(o=-0.71,f=-0.7) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.26 K(o=-2.3,f=-12!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN :FLIP amide:sc=-0.000191 F(o=-0.89,f=-0.00019) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 104:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= -0.443 (180deg=-0.443) USER MOD Single : A 91 SER OG : rot 120:sc= -0.688 USER MOD Single : A 92 ASN : amide:sc= -1.17 K(o=-1.2,f=-4.5!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.51 F(o=-1.3,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 11.358 -3.493 5.090 1.00 30.13 N ATOM 19 CA ALA A 3 10.767 -4.824 5.026 1.00 55.10 C ATOM 20 C ALA A 3 9.936 -5.116 6.271 1.00 50.53 C ATOM 21 O ALA A 3 10.311 -5.950 7.095 1.00 21.44 O ATOM 22 CB ALA A 3 11.851 -5.875 4.854 1.00 70.24 C ATOM 0 HA ALA A 3 10.103 -4.859 4.162 1.00 55.10 H new ATOM 0 HB1 ALA A 3 11.395 -6.864 4.808 1.00 70.24 H new ATOM 0 HB2 ALA A 3 12.399 -5.685 3.931 1.00 70.24 H new ATOM 0 HB3 ALA A 3 12.538 -5.831 5.699 1.00 70.24 H new ATOM 28 N GLN A 4 8.809 -4.424 6.401 1.00 43.12 N ATOM 29 CA GLN A 4 7.927 -4.610 7.548 1.00 42.35 C ATOM 30 C GLN A 4 6.841 -5.636 7.238 1.00 51.10 C ATOM 31 O GLN A 4 6.212 -5.588 6.182 1.00 44.53 O ATOM 32 CB GLN A 4 7.288 -3.279 7.947 1.00 53.34 C ATOM 33 CG GLN A 4 6.517 -3.343 9.255 1.00 21.42 C ATOM 34 CD GLN A 4 7.238 -4.145 10.320 1.00 61.14 C ATOM 35 OE1 GLN A 4 8.451 -4.020 10.493 1.00 3.54 O ATOM 36 NE2 GLN A 4 6.495 -4.976 11.042 1.00 60.12 N ATOM 0 H GLN A 4 8.485 -3.730 5.727 1.00 43.12 H new ATOM 0 HA GLN A 4 8.526 -4.981 8.379 1.00 42.35 H new ATOM 0 HB2 GLN A 4 8.068 -2.522 8.031 1.00 53.34 H new ATOM 0 HB3 GLN A 4 6.614 -2.956 7.153 1.00 53.34 H new ATOM 0 HG2 GLN A 4 6.346 -2.331 9.621 1.00 21.42 H new ATOM 0 HG3 GLN A 4 5.538 -3.786 9.073 1.00 21.42 H new ATOM 0 HE21 GLN A 4 5.493 -5.049 10.865 1.00 60.12 H new ATOM 0 HE22 GLN A 4 6.926 -5.542 11.773 1.00 60.12 H new ATOM 43 N ASN A 5 6.627 -6.561 8.168 1.00 65.32 N ATOM 44 CA ASN A 5 5.618 -7.599 7.993 1.00 63.51 C ATOM 45 C ASN A 5 4.263 -7.134 8.520 1.00 61.23 C ATOM 46 O ASN A 5 4.129 -6.783 9.693 1.00 34.20 O ATOM 47 CB ASN A 5 6.044 -8.881 8.711 1.00 12.55 C ATOM 48 CG ASN A 5 6.066 -8.719 10.220 1.00 50.13 C ATOM 49 OD1 ASN A 5 7.039 -8.222 10.787 1.00 51.42 O ATOM 50 ND2 ASN A 5 4.991 -9.137 10.875 1.00 13.51 N ATOM 0 H ASN A 5 7.138 -6.613 9.049 1.00 65.32 H new ATOM 0 HA ASN A 5 5.524 -7.803 6.926 1.00 63.51 H new ATOM 0 HB2 ASN A 5 5.361 -9.687 8.445 1.00 12.55 H new ATOM 0 HB3 ASN A 5 7.035 -9.176 8.365 1.00 12.55 H new ATOM 0 HD21 ASN A 5 4.948 -9.053 11.891 1.00 13.51 H new ATOM 0 HD22 ASN A 5 4.208 -9.543 10.363 1.00 13.51 H new ATOM 56 N ILE A 6 3.262 -7.137 7.647 1.00 75.42 N ATOM 57 CA ILE A 6 1.918 -6.716 8.024 1.00 44.11 C ATOM 58 C ILE A 6 0.895 -7.804 7.713 1.00 31.32 C ATOM 59 O ILE A 6 0.748 -8.224 6.564 1.00 34.21 O ATOM 60 CB ILE A 6 1.510 -5.421 7.302 1.00 32.41 C ATOM 61 CG1 ILE A 6 2.466 -4.283 7.668 1.00 1.11 C ATOM 62 CG2 ILE A 6 0.077 -5.047 7.652 1.00 21.54 C ATOM 63 CD1 ILE A 6 2.437 -3.919 9.135 1.00 4.54 C ATOM 0 H ILE A 6 3.356 -7.426 6.673 1.00 75.42 H new ATOM 0 HA ILE A 6 1.934 -6.532 9.098 1.00 44.11 H new ATOM 0 HB ILE A 6 1.569 -5.590 6.227 1.00 32.41 H new ATOM 0 HG12 ILE A 6 3.481 -4.569 7.393 1.00 1.11 H new ATOM 0 HG13 ILE A 6 2.212 -3.402 7.078 1.00 1.11 H new ATOM 0 HG21 ILE A 6 -0.196 -4.128 7.133 1.00 21.54 H new ATOM 0 HG22 ILE A 6 -0.594 -5.850 7.346 1.00 21.54 H new ATOM 0 HG23 ILE A 6 -0.007 -4.895 8.728 1.00 21.54 H new ATOM 0 HD11 ILE A 6 3.138 -3.106 9.322 1.00 4.54 H new ATOM 0 HD12 ILE A 6 1.432 -3.602 9.411 1.00 4.54 H new ATOM 0 HD13 ILE A 6 2.720 -4.787 9.731 1.00 4.54 H new ATOM 74 N THR A 7 0.187 -8.255 8.743 1.00 63.25 N ATOM 75 CA THR A 7 -0.824 -9.294 8.580 1.00 14.11 C ATOM 76 C THR A 7 -2.211 -8.686 8.404 1.00 4.35 C ATOM 77 O THR A 7 -2.543 -7.681 9.032 1.00 41.10 O ATOM 78 CB THR A 7 -0.843 -10.252 9.784 1.00 24.43 C ATOM 79 OG1 THR A 7 -0.576 -9.529 10.991 1.00 64.04 O ATOM 80 CG2 THR A 7 0.185 -11.360 9.612 1.00 3.24 C ATOM 0 H THR A 7 0.294 -7.918 9.700 1.00 63.25 H new ATOM 0 HA THR A 7 -0.560 -9.856 7.684 1.00 14.11 H new ATOM 0 HB THR A 7 -1.833 -10.704 9.844 1.00 24.43 H new ATOM 0 HG1 THR A 7 -0.592 -10.146 11.752 1.00 64.04 H new ATOM 0 HG21 THR A 7 0.152 -12.024 10.476 1.00 3.24 H new ATOM 0 HG22 THR A 7 -0.040 -11.928 8.709 1.00 3.24 H new ATOM 0 HG23 THR A 7 1.180 -10.923 9.528 1.00 3.24 H new ATOM 88 N ALA A 8 -3.018 -9.305 7.548 1.00 33.43 N ATOM 89 CA ALA A 8 -4.372 -8.826 7.294 1.00 51.24 C ATOM 90 C ALA A 8 -5.339 -9.990 7.107 1.00 31.44 C ATOM 91 O ALA A 8 -4.922 -11.134 6.929 1.00 52.23 O ATOM 92 CB ALA A 8 -4.390 -7.922 6.070 1.00 20.21 C ATOM 0 H ALA A 8 -2.758 -10.138 7.019 1.00 33.43 H new ATOM 0 HA ALA A 8 -4.697 -8.252 8.162 1.00 51.24 H new ATOM 0 HB1 ALA A 8 -5.407 -7.571 5.892 1.00 20.21 H new ATOM 0 HB2 ALA A 8 -3.736 -7.067 6.240 1.00 20.21 H new ATOM 0 HB3 ALA A 8 -4.041 -8.479 5.201 1.00 20.21 H new ATOM 98 N ARG A 9 -6.633 -9.690 7.151 1.00 12.11 N ATOM 99 CA ARG A 9 -7.660 -10.713 6.989 1.00 11.22 C ATOM 100 C ARG A 9 -8.614 -10.351 5.855 1.00 54.11 C ATOM 101 O ARG A 9 -8.880 -9.174 5.606 1.00 1.11 O ATOM 102 CB ARG A 9 -8.443 -10.890 8.291 1.00 2.53 C ATOM 103 CG ARG A 9 -7.652 -11.586 9.388 1.00 31.11 C ATOM 104 CD ARG A 9 -6.827 -10.596 10.193 1.00 0.40 C ATOM 105 NE ARG A 9 -5.548 -11.163 10.613 1.00 61.10 N ATOM 106 CZ ARG A 9 -4.678 -10.523 11.386 1.00 23.33 C ATOM 107 NH1 ARG A 9 -4.949 -9.300 11.822 1.00 54.12 N ATOM 108 NH2 ARG A 9 -3.535 -11.106 11.725 1.00 13.32 N ATOM 0 H ARG A 9 -6.995 -8.748 7.297 1.00 12.11 H new ATOM 0 HA ARG A 9 -7.166 -11.652 6.739 1.00 11.22 H new ATOM 0 HB2 ARG A 9 -8.761 -9.911 8.650 1.00 2.53 H new ATOM 0 HB3 ARG A 9 -9.347 -11.464 8.086 1.00 2.53 H new ATOM 0 HG2 ARG A 9 -8.336 -12.115 10.051 1.00 31.11 H new ATOM 0 HG3 ARG A 9 -6.994 -12.334 8.945 1.00 31.11 H new ATOM 0 HD2 ARG A 9 -6.648 -9.702 9.595 1.00 0.40 H new ATOM 0 HD3 ARG A 9 -7.391 -10.284 11.072 1.00 0.40 H new ATOM 0 HE ARG A 9 -5.310 -12.102 10.295 1.00 61.10 H new ATOM 0 HH11 ARG A 9 -5.827 -8.849 11.564 1.00 54.12 H new ATOM 0 HH12 ARG A 9 -4.280 -8.810 12.416 1.00 54.12 H new ATOM 0 HH21 ARG A 9 -3.324 -12.047 11.392 1.00 13.32 H new ATOM 0 HH22 ARG A 9 -2.868 -10.613 12.319 1.00 13.32 H new ATOM 119 N ILE A 10 -9.125 -11.369 5.171 1.00 1.24 N ATOM 120 CA ILE A 10 -10.049 -11.157 4.064 1.00 14.11 C ATOM 121 C ILE A 10 -11.293 -10.403 4.522 1.00 51.52 C ATOM 122 O ILE A 10 -12.016 -10.857 5.409 1.00 54.14 O ATOM 123 CB ILE A 10 -10.478 -12.492 3.426 1.00 54.52 C ATOM 124 CG1 ILE A 10 -9.282 -13.166 2.749 1.00 21.30 C ATOM 125 CG2 ILE A 10 -11.599 -12.263 2.425 1.00 22.45 C ATOM 126 CD1 ILE A 10 -9.462 -14.654 2.549 1.00 70.43 C ATOM 0 H ILE A 10 -8.915 -12.348 5.364 1.00 1.24 H new ATOM 0 HA ILE A 10 -9.519 -10.561 3.321 1.00 14.11 H new ATOM 0 HB ILE A 10 -10.847 -13.152 4.211 1.00 54.52 H new ATOM 0 HG12 ILE A 10 -9.110 -12.695 1.781 1.00 21.30 H new ATOM 0 HG13 ILE A 10 -8.389 -12.994 3.350 1.00 21.30 H new ATOM 0 HG21 ILE A 10 -11.892 -13.215 1.982 1.00 22.45 H new ATOM 0 HG22 ILE A 10 -12.456 -11.820 2.933 1.00 22.45 H new ATOM 0 HG23 ILE A 10 -11.254 -11.589 1.641 1.00 22.45 H new ATOM 0 HD11 ILE A 10 -8.577 -15.066 2.064 1.00 70.43 H new ATOM 0 HD12 ILE A 10 -9.604 -15.137 3.516 1.00 70.43 H new ATOM 0 HD13 ILE A 10 -10.335 -14.834 1.922 1.00 70.43 H new ATOM 137 N GLY A 11 -11.537 -9.248 3.910 1.00 62.41 N ATOM 138 CA GLY A 11 -12.696 -8.450 4.267 1.00 12.21 C ATOM 139 C GLY A 11 -12.431 -7.543 5.452 1.00 2.53 C ATOM 140 O GLY A 11 -13.314 -6.803 5.884 1.00 3.43 O ATOM 0 H GLY A 11 -10.953 -8.851 3.174 1.00 62.41 H new ATOM 0 HA2 GLY A 11 -12.995 -7.846 3.411 1.00 12.21 H new ATOM 0 HA3 GLY A 11 -13.531 -9.111 4.499 1.00 12.21 H new ATOM 144 N GLU A 12 -11.212 -7.602 5.981 1.00 70.22 N ATOM 145 CA GLU A 12 -10.836 -6.781 7.125 1.00 11.55 C ATOM 146 C GLU A 12 -10.093 -5.527 6.675 1.00 73.40 C ATOM 147 O GLU A 12 -9.295 -5.550 5.738 1.00 12.13 O ATOM 148 CB GLU A 12 -9.964 -7.583 8.093 1.00 45.45 C ATOM 149 CG GLU A 12 -8.644 -6.908 8.425 1.00 42.15 C ATOM 150 CD GLU A 12 -7.912 -7.588 9.566 1.00 73.23 C ATOM 151 OE1 GLU A 12 -8.575 -8.274 10.372 1.00 73.24 O ATOM 152 OE2 GLU A 12 -6.675 -7.433 9.652 1.00 12.13 O ATOM 0 H GLU A 12 -10.469 -8.210 5.635 1.00 70.22 H new ATOM 0 HA GLU A 12 -11.750 -6.477 7.636 1.00 11.55 H new ATOM 0 HB2 GLU A 12 -10.519 -7.750 9.016 1.00 45.45 H new ATOM 0 HB3 GLU A 12 -9.763 -8.563 7.661 1.00 45.45 H new ATOM 0 HG2 GLU A 12 -8.008 -6.907 7.540 1.00 42.15 H new ATOM 0 HG3 GLU A 12 -8.829 -5.866 8.686 1.00 42.15 H new ATOM 157 N PRO A 13 -10.363 -4.403 7.356 1.00 74.24 N ATOM 158 CA PRO A 13 -9.731 -3.117 7.043 1.00 2.30 C ATOM 159 C PRO A 13 -8.249 -3.098 7.404 1.00 33.53 C ATOM 160 O PRO A 13 -7.835 -3.685 8.404 1.00 73.24 O ATOM 161 CB PRO A 13 -10.506 -2.122 7.912 1.00 55.25 C ATOM 162 CG PRO A 13 -11.028 -2.934 9.046 1.00 2.42 C ATOM 163 CD PRO A 13 -11.304 -4.301 8.483 1.00 22.22 C ATOM 0 HA PRO A 13 -9.767 -2.892 5.977 1.00 2.30 H new ATOM 0 HB2 PRO A 13 -9.860 -1.318 8.265 1.00 55.25 H new ATOM 0 HB3 PRO A 13 -11.317 -1.656 7.353 1.00 55.25 H new ATOM 0 HG2 PRO A 13 -10.301 -2.985 9.857 1.00 2.42 H new ATOM 0 HG3 PRO A 13 -11.935 -2.491 9.458 1.00 2.42 H new ATOM 0 HD2 PRO A 13 -11.131 -5.083 9.223 1.00 22.22 H new ATOM 0 HD3 PRO A 13 -12.338 -4.398 8.153 1.00 22.22 H new ATOM 168 N LEU A 14 -7.455 -2.418 6.583 1.00 32.14 N ATOM 169 CA LEU A 14 -6.019 -2.320 6.815 1.00 51.43 C ATOM 170 C LEU A 14 -5.491 -0.953 6.394 1.00 73.24 C ATOM 171 O LEU A 14 -5.941 -0.380 5.401 1.00 0.31 O ATOM 172 CB LEU A 14 -5.283 -3.422 6.049 1.00 75.14 C ATOM 173 CG LEU A 14 -3.789 -3.559 6.341 1.00 72.35 C ATOM 174 CD1 LEU A 14 -3.563 -4.381 7.601 1.00 71.34 C ATOM 175 CD2 LEU A 14 -3.068 -4.186 5.157 1.00 72.40 C ATOM 0 H LEU A 14 -7.782 -1.927 5.751 1.00 32.14 H new ATOM 0 HA LEU A 14 -5.839 -2.445 7.883 1.00 51.43 H new ATOM 0 HB2 LEU A 14 -5.765 -4.374 6.270 1.00 75.14 H new ATOM 0 HB3 LEU A 14 -5.409 -3.241 4.982 1.00 75.14 H new ATOM 0 HG LEU A 14 -3.379 -2.562 6.504 1.00 72.35 H new ATOM 0 HD11 LEU A 14 -2.493 -4.467 7.792 1.00 71.34 H new ATOM 0 HD12 LEU A 14 -4.044 -3.890 8.447 1.00 71.34 H new ATOM 0 HD13 LEU A 14 -3.989 -5.375 7.468 1.00 71.34 H new ATOM 0 HD21 LEU A 14 -2.006 -4.275 5.384 1.00 72.40 H new ATOM 0 HD22 LEU A 14 -3.482 -5.175 4.961 1.00 72.40 H new ATOM 0 HD23 LEU A 14 -3.199 -3.557 4.276 1.00 72.40 H new ATOM 186 N VAL A 15 -4.530 -0.436 7.154 1.00 50.00 N ATOM 187 CA VAL A 15 -3.938 0.864 6.858 1.00 31.31 C ATOM 188 C VAL A 15 -2.433 0.746 6.647 1.00 21.22 C ATOM 189 O VAL A 15 -1.775 -0.108 7.244 1.00 23.02 O ATOM 190 CB VAL A 15 -4.209 1.874 7.989 1.00 63.43 C ATOM 191 CG1 VAL A 15 -3.761 3.268 7.576 1.00 72.20 C ATOM 192 CG2 VAL A 15 -5.683 1.869 8.367 1.00 44.24 C ATOM 0 H VAL A 15 -4.145 -0.897 7.978 1.00 50.00 H new ATOM 0 HA VAL A 15 -4.404 1.223 5.940 1.00 31.31 H new ATOM 0 HB VAL A 15 -3.633 1.576 8.865 1.00 63.43 H new ATOM 0 HG11 VAL A 15 -3.960 3.969 8.387 1.00 72.20 H new ATOM 0 HG12 VAL A 15 -2.693 3.258 7.359 1.00 72.20 H new ATOM 0 HG13 VAL A 15 -4.309 3.578 6.686 1.00 72.20 H new ATOM 0 HG21 VAL A 15 -5.856 2.588 9.167 1.00 44.24 H new ATOM 0 HG22 VAL A 15 -6.282 2.142 7.498 1.00 44.24 H new ATOM 0 HG23 VAL A 15 -5.968 0.873 8.706 1.00 44.24 H new ATOM 202 N LEU A 16 -1.892 1.608 5.793 1.00 74.03 N ATOM 203 CA LEU A 16 -0.463 1.602 5.502 1.00 32.22 C ATOM 204 C LEU A 16 0.122 3.008 5.610 1.00 24.12 C ATOM 205 O LEU A 16 -0.554 3.995 5.325 1.00 10.24 O ATOM 206 CB LEU A 16 -0.210 1.039 4.103 1.00 42.23 C ATOM 207 CG LEU A 16 -0.473 -0.457 3.925 1.00 61.55 C ATOM 208 CD1 LEU A 16 -1.307 -0.707 2.677 1.00 4.24 C ATOM 209 CD2 LEU A 16 0.838 -1.226 3.853 1.00 51.24 C ATOM 0 H LEU A 16 -2.422 2.320 5.290 1.00 74.03 H new ATOM 0 HA LEU A 16 0.029 0.966 6.238 1.00 32.22 H new ATOM 0 HB2 LEU A 16 -0.834 1.584 3.395 1.00 42.23 H new ATOM 0 HB3 LEU A 16 0.827 1.240 3.834 1.00 42.23 H new ATOM 0 HG LEU A 16 -1.032 -0.812 4.790 1.00 61.55 H new ATOM 0 HD11 LEU A 16 -1.484 -1.777 2.566 1.00 4.24 H new ATOM 0 HD12 LEU A 16 -2.261 -0.188 2.767 1.00 4.24 H new ATOM 0 HD13 LEU A 16 -0.773 -0.335 1.802 1.00 4.24 H new ATOM 0 HD21 LEU A 16 0.630 -2.288 3.726 1.00 51.24 H new ATOM 0 HD22 LEU A 16 1.424 -0.868 3.007 1.00 51.24 H new ATOM 0 HD23 LEU A 16 1.400 -1.074 4.774 1.00 51.24 H new ATOM 220 N LYS A 17 1.382 3.089 6.020 1.00 64.23 N ATOM 221 CA LYS A 17 2.060 4.371 6.162 1.00 32.14 C ATOM 222 C LYS A 17 3.174 4.516 5.130 1.00 63.20 C ATOM 223 O LYS A 17 3.752 3.524 4.683 1.00 52.53 O ATOM 224 CB LYS A 17 2.636 4.513 7.573 1.00 31.42 C ATOM 225 CG LYS A 17 3.116 5.918 7.894 1.00 2.33 C ATOM 226 CD LYS A 17 3.108 6.181 9.392 1.00 20.35 C ATOM 227 CE LYS A 17 1.711 6.525 9.889 1.00 40.00 C ATOM 228 NZ LYS A 17 1.750 7.391 11.098 1.00 55.22 N ATOM 0 H LYS A 17 1.955 2.280 6.260 1.00 64.23 H new ATOM 0 HA LYS A 17 1.328 5.161 5.993 1.00 32.14 H new ATOM 0 HB2 LYS A 17 1.875 4.223 8.298 1.00 31.42 H new ATOM 0 HB3 LYS A 17 3.468 3.818 7.689 1.00 31.42 H new ATOM 0 HG2 LYS A 17 4.125 6.057 7.505 1.00 2.33 H new ATOM 0 HG3 LYS A 17 2.478 6.645 7.392 1.00 2.33 H new ATOM 0 HD2 LYS A 17 3.477 5.301 9.919 1.00 20.35 H new ATOM 0 HD3 LYS A 17 3.790 7.000 9.623 1.00 20.35 H new ATOM 0 HE2 LYS A 17 1.159 7.031 9.097 1.00 40.00 H new ATOM 0 HE3 LYS A 17 1.171 5.606 10.118 1.00 40.00 H new ATOM 0 HZ1 LYS A 17 0.779 7.603 11.405 1.00 55.22 H new ATOM 0 HZ2 LYS A 17 2.255 6.898 11.862 1.00 55.22 H new ATOM 0 HZ3 LYS A 17 2.243 8.279 10.873 1.00 55.22 H new ATOM 238 N CYS A 18 3.471 5.755 4.756 1.00 13.13 N ATOM 239 CA CYS A 18 4.516 6.030 3.777 1.00 21.30 C ATOM 240 C CYS A 18 5.740 6.648 4.447 1.00 1.25 C ATOM 241 O CYS A 18 5.754 7.838 4.764 1.00 3.03 O ATOM 242 CB CYS A 18 3.990 6.967 2.687 1.00 3.44 C ATOM 243 SG CYS A 18 5.177 7.283 1.342 1.00 33.22 S ATOM 0 H CYS A 18 3.002 6.586 5.116 1.00 13.13 H new ATOM 0 HA CYS A 18 4.811 5.084 3.322 1.00 21.30 H new ATOM 0 HB2 CYS A 18 3.082 6.539 2.263 1.00 3.44 H new ATOM 0 HB3 CYS A 18 3.712 7.917 3.143 1.00 3.44 H new ATOM 247 N LYS A 19 6.767 5.833 4.659 1.00 3.22 N ATOM 248 CA LYS A 19 7.996 6.296 5.290 1.00 33.01 C ATOM 249 C LYS A 19 8.639 7.411 4.471 1.00 14.33 C ATOM 250 O LYS A 19 8.976 7.222 3.304 1.00 54.32 O ATOM 251 CB LYS A 19 8.980 5.137 5.452 1.00 0.44 C ATOM 252 CG LYS A 19 9.175 4.702 6.895 1.00 23.05 C ATOM 253 CD LYS A 19 8.033 3.818 7.368 1.00 44.40 C ATOM 254 CE LYS A 19 7.745 4.025 8.848 1.00 24.25 C ATOM 255 NZ LYS A 19 6.343 3.661 9.197 1.00 52.12 N ATOM 0 H LYS A 19 6.772 4.846 4.402 1.00 3.22 H new ATOM 0 HA LYS A 19 7.743 6.689 6.275 1.00 33.01 H new ATOM 0 HB2 LYS A 19 8.626 4.286 4.870 1.00 0.44 H new ATOM 0 HB3 LYS A 19 9.944 5.429 5.036 1.00 0.44 H new ATOM 0 HG2 LYS A 19 10.118 4.163 6.990 1.00 23.05 H new ATOM 0 HG3 LYS A 19 9.245 5.581 7.535 1.00 23.05 H new ATOM 0 HD2 LYS A 19 7.137 4.037 6.788 1.00 44.40 H new ATOM 0 HD3 LYS A 19 8.282 2.772 7.187 1.00 44.40 H new ATOM 0 HE2 LYS A 19 8.434 3.423 9.440 1.00 24.25 H new ATOM 0 HE3 LYS A 19 7.926 5.067 9.111 1.00 24.25 H new ATOM 0 HZ1 LYS A 19 6.206 3.751 10.224 1.00 52.12 H new ATOM 0 HZ2 LYS A 19 5.686 4.298 8.703 1.00 52.12 H new ATOM 0 HZ3 LYS A 19 6.157 2.679 8.908 1.00 52.12 H new ATOM 265 N GLY A 20 8.808 8.575 5.093 1.00 10.23 N ATOM 266 CA GLY A 20 9.411 9.703 4.408 1.00 2.30 C ATOM 267 C GLY A 20 8.548 10.947 4.467 1.00 23.32 C ATOM 268 O GLY A 20 9.057 12.058 4.612 1.00 10.00 O ATOM 0 H GLY A 20 8.538 8.756 6.060 1.00 10.23 H new ATOM 0 HA2 GLY A 20 10.382 9.917 4.853 1.00 2.30 H new ATOM 0 HA3 GLY A 20 9.590 9.438 3.366 1.00 2.30 H new ATOM 272 N ALA A 21 7.237 10.761 4.352 1.00 31.55 N ATOM 273 CA ALA A 21 6.300 11.878 4.394 1.00 74.32 C ATOM 274 C ALA A 21 5.820 12.139 5.817 1.00 33.23 C ATOM 275 O ALA A 21 5.359 11.238 6.518 1.00 71.20 O ATOM 276 CB ALA A 21 5.117 11.609 3.475 1.00 35.11 C ATOM 0 H ALA A 21 6.800 9.848 4.229 1.00 31.55 H new ATOM 0 HA ALA A 21 6.820 12.770 4.046 1.00 74.32 H new ATOM 0 HB1 ALA A 21 4.426 12.451 3.516 1.00 35.11 H new ATOM 0 HB2 ALA A 21 5.472 11.481 2.453 1.00 35.11 H new ATOM 0 HB3 ALA A 21 4.605 10.703 3.797 1.00 35.11 H new ATOM 282 N PRO A 22 5.930 13.402 6.258 1.00 45.04 N ATOM 283 CA PRO A 22 5.511 13.810 7.602 1.00 51.12 C ATOM 284 C PRO A 22 3.997 13.779 7.772 1.00 1.13 C ATOM 285 O PRO A 22 3.282 13.195 6.957 1.00 74.51 O ATOM 286 CB PRO A 22 6.033 15.245 7.714 1.00 1.54 C ATOM 287 CG PRO A 22 6.118 15.729 6.309 1.00 33.44 C ATOM 288 CD PRO A 22 6.471 14.526 5.477 1.00 34.11 C ATOM 0 HA PRO A 22 5.896 13.140 8.371 1.00 51.12 H new ATOM 0 HB2 PRO A 22 5.360 15.866 8.306 1.00 1.54 H new ATOM 0 HB3 PRO A 22 7.007 15.275 8.202 1.00 1.54 H new ATOM 0 HG2 PRO A 22 5.171 16.162 5.987 1.00 33.44 H new ATOM 0 HG3 PRO A 22 6.874 16.508 6.210 1.00 33.44 H new ATOM 0 HD2 PRO A 22 6.023 14.578 4.485 1.00 34.11 H new ATOM 0 HD3 PRO A 22 7.548 14.436 5.337 1.00 34.11 H new ATOM 293 N LYS A 23 3.513 14.410 8.836 1.00 30.35 N ATOM 294 CA LYS A 23 2.082 14.458 9.113 1.00 5.20 C ATOM 295 C LYS A 23 1.302 14.887 7.874 1.00 2.35 C ATOM 296 O LYS A 23 0.321 14.247 7.492 1.00 75.11 O ATOM 297 CB LYS A 23 1.796 15.420 10.268 1.00 12.54 C ATOM 298 CG LYS A 23 2.093 14.833 11.637 1.00 22.14 C ATOM 299 CD LYS A 23 3.561 14.982 12.001 1.00 0.42 C ATOM 300 CE LYS A 23 3.771 14.916 13.506 1.00 1.11 C ATOM 301 NZ LYS A 23 3.859 13.512 13.993 1.00 65.51 N ATOM 0 H LYS A 23 4.091 14.896 9.522 1.00 30.35 H new ATOM 0 HA LYS A 23 1.759 13.456 9.395 1.00 5.20 H new ATOM 0 HB2 LYS A 23 2.391 16.324 10.133 1.00 12.54 H new ATOM 0 HB3 LYS A 23 0.749 15.719 10.230 1.00 12.54 H new ATOM 0 HG2 LYS A 23 1.479 15.330 12.388 1.00 22.14 H new ATOM 0 HG3 LYS A 23 1.820 13.778 11.649 1.00 22.14 H new ATOM 0 HD2 LYS A 23 4.139 14.195 11.517 1.00 0.42 H new ATOM 0 HD3 LYS A 23 3.937 15.932 11.621 1.00 0.42 H new ATOM 0 HE2 LYS A 23 4.685 15.449 13.769 1.00 1.11 H new ATOM 0 HE3 LYS A 23 2.949 15.424 14.010 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 4.002 13.510 15.023 1.00 65.51 H new ATOM 0 HZ2 LYS A 23 2.977 13.010 13.765 1.00 65.51 H new ATOM 0 HZ3 LYS A 23 4.659 13.034 13.532 1.00 65.51 H new ATOM 311 N LYS A 24 1.743 15.974 7.250 1.00 64.23 N ATOM 312 CA LYS A 24 1.088 16.487 6.053 1.00 54.31 C ATOM 313 C LYS A 24 1.946 16.243 4.816 1.00 42.25 C ATOM 314 O LYS A 24 3.175 16.203 4.881 1.00 32.04 O ATOM 315 CB LYS A 24 0.808 17.985 6.203 1.00 13.33 C ATOM 316 CG LYS A 24 1.971 18.867 5.783 1.00 4.41 C ATOM 317 CD LYS A 24 3.175 18.670 6.690 1.00 75.11 C ATOM 318 CE LYS A 24 3.976 19.955 6.839 1.00 42.32 C ATOM 319 NZ LYS A 24 5.404 19.683 7.162 1.00 44.41 N ATOM 0 H LYS A 24 2.552 16.517 7.554 1.00 64.23 H new ATOM 0 HA LYS A 24 0.144 15.956 5.930 1.00 54.31 H new ATOM 0 HB2 LYS A 24 -0.067 18.244 5.607 1.00 13.33 H new ATOM 0 HB3 LYS A 24 0.559 18.197 7.243 1.00 13.33 H new ATOM 0 HG2 LYS A 24 2.248 18.640 4.754 1.00 4.41 H new ATOM 0 HG3 LYS A 24 1.663 19.912 5.807 1.00 4.41 H new ATOM 0 HD2 LYS A 24 2.841 18.332 7.671 1.00 75.11 H new ATOM 0 HD3 LYS A 24 3.814 17.886 6.283 1.00 75.11 H new ATOM 0 HE2 LYS A 24 3.916 20.530 5.915 1.00 42.32 H new ATOM 0 HE3 LYS A 24 3.536 20.568 7.625 1.00 42.32 H new ATOM 0 HZ1 LYS A 24 5.916 20.583 7.256 1.00 44.41 H new ATOM 0 HZ2 LYS A 24 5.463 19.156 8.057 1.00 44.41 H new ATOM 0 HZ3 LYS A 24 5.831 19.119 6.400 1.00 44.41 H new ATOM 366 N ARG A 28 5.090 16.421 -4.187 1.00 75.33 N ATOM 367 CA ARG A 28 4.452 15.343 -4.932 1.00 22.23 C ATOM 368 C ARG A 28 5.108 14.002 -4.618 1.00 15.55 C ATOM 369 O ARG A 28 6.332 13.907 -4.515 1.00 42.32 O ATOM 370 CB ARG A 28 4.525 15.619 -6.434 1.00 42.44 C ATOM 371 CG ARG A 28 5.941 15.596 -6.989 1.00 70.15 C ATOM 372 CD ARG A 28 5.947 15.721 -8.504 1.00 63.30 C ATOM 373 NE ARG A 28 5.089 14.724 -9.139 1.00 61.42 N ATOM 374 CZ ARG A 28 4.627 14.835 -10.380 1.00 3.04 C ATOM 375 NH1 ARG A 28 4.940 15.892 -11.115 1.00 53.11 N ATOM 376 NH2 ARG A 28 3.851 13.886 -10.888 1.00 5.31 N ATOM 0 HA ARG A 28 3.406 15.296 -4.629 1.00 22.23 H new ATOM 0 HB2 ARG A 28 3.925 14.877 -6.961 1.00 42.44 H new ATOM 0 HB3 ARG A 28 4.079 16.593 -6.638 1.00 42.44 H new ATOM 0 HG2 ARG A 28 6.517 16.412 -6.553 1.00 70.15 H new ATOM 0 HG3 ARG A 28 6.432 14.668 -6.697 1.00 70.15 H new ATOM 0 HD2 ARG A 28 5.613 16.719 -8.787 1.00 63.30 H new ATOM 0 HD3 ARG A 28 6.967 15.610 -8.873 1.00 63.30 H new ATOM 0 HE ARG A 28 4.830 13.897 -8.600 1.00 61.42 H new ATOM 0 HH11 ARG A 28 5.537 16.623 -10.729 1.00 53.11 H new ATOM 0 HH12 ARG A 28 4.584 15.975 -12.067 1.00 53.11 H new ATOM 0 HH21 ARG A 28 3.609 13.070 -10.326 1.00 5.31 H new ATOM 0 HH22 ARG A 28 3.497 13.972 -11.841 1.00 5.31 H new ATOM 387 N LEU A 29 4.288 12.969 -4.462 1.00 35.14 N ATOM 388 CA LEU A 29 4.787 11.634 -4.157 1.00 12.31 C ATOM 389 C LEU A 29 4.066 10.579 -4.991 1.00 52.14 C ATOM 390 O LEU A 29 2.946 10.796 -5.449 1.00 53.14 O ATOM 391 CB LEU A 29 4.613 11.330 -2.668 1.00 45.53 C ATOM 392 CG LEU A 29 3.437 12.018 -1.976 1.00 22.03 C ATOM 393 CD1 LEU A 29 2.136 11.716 -2.706 1.00 14.51 C ATOM 394 CD2 LEU A 29 3.347 11.585 -0.520 1.00 42.24 C ATOM 0 H LEU A 29 3.273 13.031 -4.542 1.00 35.14 H new ATOM 0 HA LEU A 29 5.848 11.604 -4.406 1.00 12.31 H new ATOM 0 HB2 LEU A 29 4.499 10.253 -2.549 1.00 45.53 H new ATOM 0 HB3 LEU A 29 5.529 11.613 -2.150 1.00 45.53 H new ATOM 0 HG LEU A 29 3.604 13.095 -2.004 1.00 22.03 H new ATOM 0 HD11 LEU A 29 1.310 12.214 -2.199 1.00 14.51 H new ATOM 0 HD12 LEU A 29 2.202 12.077 -3.732 1.00 14.51 H new ATOM 0 HD13 LEU A 29 1.963 10.640 -2.711 1.00 14.51 H new ATOM 0 HD21 LEU A 29 2.504 12.085 -0.043 1.00 42.24 H new ATOM 0 HD22 LEU A 29 3.205 10.506 -0.470 1.00 42.24 H new ATOM 0 HD23 LEU A 29 4.268 11.854 -0.003 1.00 42.24 H new ATOM 405 N GLU A 30 4.719 9.435 -5.182 1.00 24.24 N ATOM 406 CA GLU A 30 4.137 8.347 -5.959 1.00 22.21 C ATOM 407 C GLU A 30 4.021 7.079 -5.118 1.00 52.52 C ATOM 408 O GLU A 30 4.839 6.834 -4.230 1.00 20.23 O ATOM 409 CB GLU A 30 4.985 8.071 -7.204 1.00 2.43 C ATOM 410 CG GLU A 30 4.195 7.475 -8.357 1.00 45.31 C ATOM 411 CD GLU A 30 4.854 7.717 -9.700 1.00 63.11 C ATOM 412 OE1 GLU A 30 6.093 7.587 -9.785 1.00 70.43 O ATOM 413 OE2 GLU A 30 4.130 8.036 -10.667 1.00 0.45 O ATOM 0 H GLU A 30 5.648 9.239 -4.810 1.00 24.24 H new ATOM 0 HA GLU A 30 3.136 8.649 -6.268 1.00 22.21 H new ATOM 0 HB2 GLU A 30 5.446 9.002 -7.533 1.00 2.43 H new ATOM 0 HB3 GLU A 30 5.794 7.391 -6.939 1.00 2.43 H new ATOM 0 HG2 GLU A 30 4.082 6.402 -8.200 1.00 45.31 H new ATOM 0 HG3 GLU A 30 3.193 7.903 -8.366 1.00 45.31 H new ATOM 418 N TRP A 31 3.001 6.278 -5.403 1.00 13.01 N ATOM 419 CA TRP A 31 2.778 5.037 -4.672 1.00 62.42 C ATOM 420 C TRP A 31 2.586 3.868 -5.632 1.00 60.22 C ATOM 421 O TRP A 31 1.962 4.010 -6.684 1.00 34.42 O ATOM 422 CB TRP A 31 1.556 5.169 -3.760 1.00 74.22 C ATOM 423 CG TRP A 31 1.886 5.706 -2.402 1.00 11.55 C ATOM 424 CD1 TRP A 31 2.604 5.079 -1.424 1.00 12.15 C ATOM 425 CD2 TRP A 31 1.508 6.981 -1.869 1.00 10.42 C ATOM 426 NE1 TRP A 31 2.695 5.886 -0.316 1.00 5.03 N ATOM 427 CE2 TRP A 31 2.032 7.058 -0.564 1.00 14.43 C ATOM 428 CE3 TRP A 31 0.781 8.064 -2.368 1.00 52.21 C ATOM 429 CZ2 TRP A 31 1.849 8.176 0.246 1.00 10.11 C ATOM 430 CZ3 TRP A 31 0.600 9.173 -1.563 1.00 63.21 C ATOM 431 CH2 TRP A 31 1.132 9.223 -0.269 1.00 44.11 C ATOM 0 H TRP A 31 2.316 6.466 -6.135 1.00 13.01 H new ATOM 0 HA TRP A 31 3.659 4.842 -4.061 1.00 62.42 H new ATOM 0 HB2 TRP A 31 0.826 5.825 -4.235 1.00 74.22 H new ATOM 0 HB3 TRP A 31 1.085 4.192 -3.652 1.00 74.22 H new ATOM 0 HD1 TRP A 31 3.037 4.093 -1.509 1.00 12.15 H new ATOM 0 HE1 TRP A 31 3.178 5.650 0.551 1.00 5.03 H new ATOM 0 HE3 TRP A 31 0.367 8.036 -3.365 1.00 52.21 H new ATOM 0 HZ2 TRP A 31 2.258 8.216 1.245 1.00 10.11 H new ATOM 0 HZ3 TRP A 31 0.038 10.016 -1.939 1.00 63.21 H new ATOM 0 HH2 TRP A 31 0.974 10.104 0.335 1.00 44.11 H new ATOM 441 N LYS A 32 3.126 2.711 -5.264 1.00 31.31 N ATOM 442 CA LYS A 32 3.013 1.515 -6.093 1.00 33.30 C ATOM 443 C LYS A 32 2.935 0.260 -5.229 1.00 31.22 C ATOM 444 O LYS A 32 3.671 0.120 -4.252 1.00 75.13 O ATOM 445 CB LYS A 32 4.204 1.417 -7.048 1.00 2.41 C ATOM 446 CG LYS A 32 4.154 2.417 -8.189 1.00 34.35 C ATOM 447 CD LYS A 32 5.513 2.580 -8.849 1.00 33.52 C ATOM 448 CE LYS A 32 5.665 1.653 -10.045 1.00 41.43 C ATOM 449 NZ LYS A 32 7.074 1.588 -10.520 1.00 62.12 N ATOM 0 H LYS A 32 3.646 2.575 -4.397 1.00 31.31 H new ATOM 0 HA LYS A 32 2.095 1.592 -6.675 1.00 33.30 H new ATOM 0 HB2 LYS A 32 5.124 1.568 -6.484 1.00 2.41 H new ATOM 0 HB3 LYS A 32 4.245 0.409 -7.461 1.00 2.41 H new ATOM 0 HG2 LYS A 32 3.426 2.088 -8.930 1.00 34.35 H new ATOM 0 HG3 LYS A 32 3.813 3.382 -7.814 1.00 34.35 H new ATOM 0 HD2 LYS A 32 5.642 3.614 -9.170 1.00 33.52 H new ATOM 0 HD3 LYS A 32 6.299 2.371 -8.123 1.00 33.52 H new ATOM 0 HE2 LYS A 32 5.326 0.653 -9.775 1.00 41.43 H new ATOM 0 HE3 LYS A 32 5.024 1.998 -10.856 1.00 41.43 H new ATOM 0 HZ1 LYS A 32 7.136 0.946 -11.336 1.00 62.12 H new ATOM 0 HZ2 LYS A 32 7.389 2.538 -10.802 1.00 62.12 H new ATOM 0 HZ3 LYS A 32 7.682 1.234 -9.754 1.00 62.12 H new ATOM 459 N LEU A 33 2.040 -0.650 -5.596 1.00 51.41 N ATOM 460 CA LEU A 33 1.867 -1.894 -4.855 1.00 42.51 C ATOM 461 C LEU A 33 1.681 -3.073 -5.805 1.00 21.31 C ATOM 462 O LEU A 33 0.990 -2.964 -6.817 1.00 4.32 O ATOM 463 CB LEU A 33 0.665 -1.789 -3.914 1.00 61.40 C ATOM 464 CG LEU A 33 0.267 -0.375 -3.490 1.00 15.41 C ATOM 465 CD1 LEU A 33 -1.106 -0.380 -2.836 1.00 41.24 C ATOM 466 CD2 LEU A 33 1.308 0.210 -2.546 1.00 31.53 C ATOM 0 H LEU A 33 1.423 -0.550 -6.402 1.00 51.41 H new ATOM 0 HA LEU A 33 2.768 -2.064 -4.266 1.00 42.51 H new ATOM 0 HB2 LEU A 33 -0.192 -2.256 -4.398 1.00 61.40 H new ATOM 0 HB3 LEU A 33 0.880 -2.369 -3.017 1.00 61.40 H new ATOM 0 HG LEU A 33 0.219 0.252 -4.381 1.00 15.41 H new ATOM 0 HD11 LEU A 33 -1.372 0.635 -2.541 1.00 41.24 H new ATOM 0 HD12 LEU A 33 -1.844 -0.758 -3.543 1.00 41.24 H new ATOM 0 HD13 LEU A 33 -1.087 -1.021 -1.954 1.00 41.24 H new ATOM 0 HD21 LEU A 33 1.009 1.217 -2.254 1.00 31.53 H new ATOM 0 HD22 LEU A 33 1.387 -0.417 -1.658 1.00 31.53 H new ATOM 0 HD23 LEU A 33 2.274 0.250 -3.049 1.00 31.53 H new ATOM 477 N ASN A 34 2.302 -4.200 -5.472 1.00 52.51 N ATOM 478 CA ASN A 34 2.205 -5.399 -6.295 1.00 64.52 C ATOM 479 C ASN A 34 1.430 -6.494 -5.571 1.00 44.42 C ATOM 480 O ASN A 34 1.778 -6.883 -4.455 1.00 4.23 O ATOM 481 CB ASN A 34 3.600 -5.906 -6.665 1.00 61.24 C ATOM 482 CG ASN A 34 3.565 -7.272 -7.319 1.00 44.13 C ATOM 483 OD1 ASN A 34 3.451 -8.294 -6.641 1.00 61.23 O ATOM 484 ND2 ASN A 34 3.665 -7.298 -8.644 1.00 13.32 N ATOM 0 H ASN A 34 2.878 -4.307 -4.637 1.00 52.51 H new ATOM 0 HA ASN A 34 1.668 -5.139 -7.207 1.00 64.52 H new ATOM 0 HB2 ASN A 34 4.074 -5.195 -7.341 1.00 61.24 H new ATOM 0 HB3 ASN A 34 4.217 -5.952 -5.767 1.00 61.24 H new ATOM 0 HD21 ASN A 34 3.649 -8.190 -9.139 1.00 13.32 H new ATOM 0 HD22 ASN A 34 3.758 -6.426 -9.166 1.00 13.32 H new ATOM 490 N THR A 35 0.375 -6.990 -6.212 1.00 45.23 N ATOM 491 CA THR A 35 -0.449 -8.042 -5.628 1.00 32.22 C ATOM 492 C THR A 35 -0.830 -9.085 -6.673 1.00 13.53 C ATOM 493 O THR A 35 -0.438 -8.985 -7.834 1.00 63.51 O ATOM 494 CB THR A 35 -1.735 -7.465 -5.003 1.00 74.22 C ATOM 495 OG1 THR A 35 -2.498 -6.777 -6.001 1.00 4.11 O ATOM 496 CG2 THR A 35 -1.401 -6.511 -3.865 1.00 65.31 C ATOM 0 H THR A 35 0.072 -6.680 -7.135 1.00 45.23 H new ATOM 0 HA THR A 35 0.147 -8.514 -4.847 1.00 32.22 H new ATOM 0 HB THR A 35 -2.322 -8.292 -4.603 1.00 74.22 H new ATOM 0 HG1 THR A 35 -3.314 -6.415 -5.597 1.00 4.11 H new ATOM 0 HG21 THR A 35 -2.323 -6.116 -3.439 1.00 65.31 H new ATOM 0 HG22 THR A 35 -0.845 -7.045 -3.094 1.00 65.31 H new ATOM 0 HG23 THR A 35 -0.796 -5.688 -4.246 1.00 65.31 H new ATOM 504 N GLY A 36 -1.597 -10.085 -6.250 1.00 53.24 N ATOM 505 CA GLY A 36 -2.018 -11.133 -7.161 1.00 71.13 C ATOM 506 C GLY A 36 -0.888 -12.079 -7.521 1.00 72.31 C ATOM 507 O GLY A 36 -0.184 -12.577 -6.643 1.00 24.43 O ATOM 0 H GLY A 36 -1.934 -10.188 -5.293 1.00 53.24 H new ATOM 0 HA2 GLY A 36 -2.831 -11.700 -6.707 1.00 71.13 H new ATOM 0 HA3 GLY A 36 -2.413 -10.682 -8.071 1.00 71.13 H new ATOM 511 N ARG A 37 -0.716 -12.326 -8.816 1.00 2.43 N ATOM 512 CA ARG A 37 0.335 -13.220 -9.289 1.00 42.30 C ATOM 513 C ARG A 37 1.398 -12.447 -10.062 1.00 15.30 C ATOM 514 O ARG A 37 2.590 -12.739 -9.961 1.00 71.32 O ATOM 515 CB ARG A 37 -0.260 -14.316 -10.173 1.00 60.34 C ATOM 516 CG ARG A 37 -0.711 -15.545 -9.401 1.00 32.24 C ATOM 517 CD ARG A 37 -1.815 -15.205 -8.410 1.00 65.52 C ATOM 518 NE ARG A 37 -2.682 -16.351 -8.144 1.00 34.33 N ATOM 519 CZ ARG A 37 -3.601 -16.789 -8.996 1.00 25.43 C ATOM 520 NH1 ARG A 37 -3.773 -16.183 -10.162 1.00 2.30 N ATOM 521 NH2 ARG A 37 -4.353 -17.837 -8.681 1.00 51.14 N ATOM 0 H ARG A 37 -1.290 -11.920 -9.555 1.00 2.43 H new ATOM 0 HA ARG A 37 0.806 -13.680 -8.420 1.00 42.30 H new ATOM 0 HB2 ARG A 37 -1.111 -13.908 -10.719 1.00 60.34 H new ATOM 0 HB3 ARG A 37 0.481 -14.615 -10.914 1.00 60.34 H new ATOM 0 HG2 ARG A 37 -1.067 -16.304 -10.098 1.00 32.24 H new ATOM 0 HG3 ARG A 37 0.138 -15.974 -8.869 1.00 32.24 H new ATOM 0 HD2 ARG A 37 -1.371 -14.862 -7.476 1.00 65.52 H new ATOM 0 HD3 ARG A 37 -2.412 -14.381 -8.801 1.00 65.52 H new ATOM 0 HE ARG A 37 -2.575 -16.841 -7.256 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -3.198 -15.377 -10.408 1.00 2.30 H new ATOM 0 HH12 ARG A 37 -4.480 -16.523 -10.814 1.00 2.30 H new ATOM 0 HH21 ARG A 37 -4.225 -18.306 -7.784 1.00 51.14 H new ATOM 0 HH22 ARG A 37 -5.059 -18.173 -9.336 1.00 51.14 H new ATOM 532 N THR A 38 0.959 -11.459 -10.835 1.00 60.31 N ATOM 533 CA THR A 38 1.873 -10.645 -11.629 1.00 2.04 C ATOM 534 C THR A 38 1.119 -9.578 -12.413 1.00 33.54 C ATOM 535 O THR A 38 1.648 -8.500 -12.678 1.00 1.24 O ATOM 536 CB THR A 38 2.686 -11.509 -12.611 1.00 72.22 C ATOM 537 OG1 THR A 38 3.819 -10.774 -13.087 1.00 24.33 O ATOM 538 CG2 THR A 38 1.827 -11.943 -13.789 1.00 2.30 C ATOM 0 H THR A 38 -0.024 -11.203 -10.929 1.00 60.31 H new ATOM 0 HA THR A 38 2.556 -10.163 -10.929 1.00 2.04 H new ATOM 0 HB THR A 38 3.026 -12.399 -12.082 1.00 72.22 H new ATOM 0 HG1 THR A 38 4.332 -11.330 -13.710 1.00 24.33 H new ATOM 0 HG21 THR A 38 2.423 -12.552 -14.469 1.00 2.30 H new ATOM 0 HG22 THR A 38 0.980 -12.526 -13.427 1.00 2.30 H new ATOM 0 HG23 THR A 38 1.461 -11.062 -14.317 1.00 2.30 H new ATOM 546 N GLU A 39 -0.122 -9.886 -12.781 1.00 1.14 N ATOM 547 CA GLU A 39 -0.948 -8.952 -13.536 1.00 11.23 C ATOM 548 C GLU A 39 -1.968 -8.270 -12.627 1.00 5.11 C ATOM 549 O GLU A 39 -3.084 -7.968 -13.048 1.00 11.23 O ATOM 550 CB GLU A 39 -1.668 -9.677 -14.675 1.00 73.31 C ATOM 551 CG GLU A 39 -0.733 -10.182 -15.761 1.00 33.34 C ATOM 552 CD GLU A 39 -0.680 -9.257 -16.960 1.00 71.24 C ATOM 553 OE1 GLU A 39 -1.757 -8.836 -17.434 1.00 43.33 O ATOM 554 OE2 GLU A 39 0.438 -8.954 -17.428 1.00 53.22 O ATOM 0 H GLU A 39 -0.576 -10.774 -12.568 1.00 1.14 H new ATOM 0 HA GLU A 39 -0.294 -8.188 -13.958 1.00 11.23 H new ATOM 0 HB2 GLU A 39 -2.223 -10.520 -14.264 1.00 73.31 H new ATOM 0 HB3 GLU A 39 -2.398 -9.001 -15.121 1.00 73.31 H new ATOM 0 HG2 GLU A 39 0.270 -10.294 -15.349 1.00 33.34 H new ATOM 0 HG3 GLU A 39 -1.058 -11.171 -16.084 1.00 33.34 H new ATOM 559 N ALA A 40 -1.576 -8.036 -11.380 1.00 14.34 N ATOM 560 CA ALA A 40 -2.454 -7.389 -10.410 1.00 24.40 C ATOM 561 C ALA A 40 -1.817 -6.122 -9.852 1.00 62.02 C ATOM 562 O ALA A 40 -2.457 -5.366 -9.120 1.00 15.22 O ATOM 563 CB ALA A 40 -2.796 -8.353 -9.284 1.00 71.15 C ATOM 0 H ALA A 40 -0.656 -8.284 -11.016 1.00 14.34 H new ATOM 0 HA ALA A 40 -3.374 -7.105 -10.921 1.00 24.40 H new ATOM 0 HB1 ALA A 40 -3.451 -7.858 -8.568 1.00 71.15 H new ATOM 0 HB2 ALA A 40 -3.302 -9.227 -9.694 1.00 71.15 H new ATOM 0 HB3 ALA A 40 -1.880 -8.666 -8.782 1.00 71.15 H new ATOM 569 N TRP A 41 -0.556 -5.896 -10.201 1.00 11.33 N ATOM 570 CA TRP A 41 0.167 -4.719 -9.731 1.00 51.10 C ATOM 571 C TRP A 41 -0.524 -3.440 -10.186 1.00 33.33 C ATOM 572 O TRP A 41 -0.836 -3.275 -11.366 1.00 34.32 O ATOM 573 CB TRP A 41 1.608 -4.744 -10.242 1.00 40.31 C ATOM 574 CG TRP A 41 2.251 -3.391 -10.275 1.00 22.43 C ATOM 575 CD1 TRP A 41 2.901 -2.768 -9.248 1.00 12.53 C ATOM 576 CD2 TRP A 41 2.302 -2.493 -11.388 1.00 60.21 C ATOM 577 NE1 TRP A 41 3.354 -1.536 -9.657 1.00 32.40 N ATOM 578 CE2 TRP A 41 2.999 -1.344 -10.966 1.00 42.13 C ATOM 579 CE3 TRP A 41 1.828 -2.548 -12.702 1.00 2.23 C ATOM 580 CZ2 TRP A 41 3.232 -0.262 -11.812 1.00 4.51 C ATOM 581 CZ3 TRP A 41 2.059 -1.473 -13.539 1.00 72.42 C ATOM 582 CH2 TRP A 41 2.757 -0.343 -13.092 1.00 71.33 C ATOM 0 H TRP A 41 -0.013 -6.511 -10.807 1.00 11.33 H new ATOM 0 HA TRP A 41 0.175 -4.738 -8.641 1.00 51.10 H new ATOM 0 HB2 TRP A 41 2.199 -5.404 -9.607 1.00 40.31 H new ATOM 0 HB3 TRP A 41 1.623 -5.170 -11.245 1.00 40.31 H new ATOM 0 HD1 TRP A 41 3.039 -3.182 -8.260 1.00 12.53 H new ATOM 0 HE1 TRP A 41 3.871 -0.873 -9.079 1.00 32.40 H new ATOM 0 HE3 TRP A 41 1.291 -3.415 -13.057 1.00 2.23 H new ATOM 0 HZ2 TRP A 41 3.769 0.610 -11.469 1.00 4.51 H new ATOM 0 HZ3 TRP A 41 1.695 -1.504 -14.555 1.00 72.42 H new ATOM 0 HH2 TRP A 41 2.923 0.480 -13.771 1.00 71.33 H new ATOM 592 N LYS A 42 -0.762 -2.533 -9.244 1.00 63.31 N ATOM 593 CA LYS A 42 -1.415 -1.265 -9.547 1.00 45.23 C ATOM 594 C LYS A 42 -0.650 -0.098 -8.932 1.00 25.25 C ATOM 595 O LYS A 42 0.041 -0.257 -7.927 1.00 14.41 O ATOM 596 CB LYS A 42 -2.855 -1.274 -9.031 1.00 30.25 C ATOM 597 CG LYS A 42 -2.961 -1.466 -7.526 1.00 31.10 C ATOM 598 CD LYS A 42 -3.250 -2.912 -7.168 1.00 62.44 C ATOM 599 CE LYS A 42 -3.070 -3.165 -5.679 1.00 50.01 C ATOM 600 NZ LYS A 42 -4.339 -2.966 -4.924 1.00 35.30 N ATOM 0 H LYS A 42 -0.512 -2.653 -8.263 1.00 63.31 H new ATOM 0 HA LYS A 42 -1.424 -1.139 -10.630 1.00 45.23 H new ATOM 0 HB2 LYS A 42 -3.336 -0.335 -9.304 1.00 30.25 H new ATOM 0 HB3 LYS A 42 -3.406 -2.071 -9.530 1.00 30.25 H new ATOM 0 HG2 LYS A 42 -2.031 -1.152 -7.052 1.00 31.10 H new ATOM 0 HG3 LYS A 42 -3.752 -0.828 -7.132 1.00 31.10 H new ATOM 0 HD2 LYS A 42 -4.270 -3.163 -7.460 1.00 62.44 H new ATOM 0 HD3 LYS A 42 -2.586 -3.567 -7.732 1.00 62.44 H new ATOM 0 HE2 LYS A 42 -2.711 -4.183 -5.524 1.00 50.01 H new ATOM 0 HE3 LYS A 42 -2.305 -2.495 -5.287 1.00 50.01 H new ATOM 0 HZ1 LYS A 42 -4.174 -3.148 -3.913 1.00 35.30 H new ATOM 0 HZ2 LYS A 42 -4.668 -1.988 -5.050 1.00 35.30 H new ATOM 0 HZ3 LYS A 42 -5.062 -3.623 -5.281 1.00 35.30 H new ATOM 610 N VAL A 43 -0.780 1.076 -9.542 1.00 43.53 N ATOM 611 CA VAL A 43 -0.103 2.270 -9.053 1.00 34.34 C ATOM 612 C VAL A 43 -1.038 3.121 -8.199 1.00 43.51 C ATOM 613 O VAL A 43 -2.092 3.557 -8.660 1.00 62.51 O ATOM 614 CB VAL A 43 0.434 3.128 -10.216 1.00 4.14 C ATOM 615 CG1 VAL A 43 1.253 4.295 -9.684 1.00 64.43 C ATOM 616 CG2 VAL A 43 1.261 2.276 -11.167 1.00 4.41 C ATOM 0 H VAL A 43 -1.348 1.225 -10.376 1.00 43.53 H new ATOM 0 HA VAL A 43 0.735 1.931 -8.444 1.00 34.34 H new ATOM 0 HB VAL A 43 -0.414 3.532 -10.769 1.00 4.14 H new ATOM 0 HG11 VAL A 43 1.624 4.890 -10.519 1.00 64.43 H new ATOM 0 HG12 VAL A 43 0.627 4.918 -9.045 1.00 64.43 H new ATOM 0 HG13 VAL A 43 2.096 3.915 -9.107 1.00 64.43 H new ATOM 0 HG21 VAL A 43 1.633 2.897 -11.982 1.00 4.41 H new ATOM 0 HG22 VAL A 43 2.103 1.842 -10.628 1.00 4.41 H new ATOM 0 HG23 VAL A 43 0.640 1.477 -11.573 1.00 4.41 H new ATOM 626 N LEU A 44 -0.641 3.353 -6.952 1.00 14.35 N ATOM 627 CA LEU A 44 -1.443 4.153 -6.033 1.00 12.45 C ATOM 628 C LEU A 44 -1.075 5.630 -6.131 1.00 52.13 C ATOM 629 O LEU A 44 0.081 5.977 -6.376 1.00 61.34 O ATOM 630 CB LEU A 44 -1.249 3.663 -4.597 1.00 2.03 C ATOM 631 CG LEU A 44 -2.369 2.792 -4.027 1.00 64.14 C ATOM 632 CD1 LEU A 44 -3.506 3.657 -3.507 1.00 13.23 C ATOM 633 CD2 LEU A 44 -2.877 1.819 -5.082 1.00 33.04 C ATOM 0 H LEU A 44 0.229 2.999 -6.555 1.00 14.35 H new ATOM 0 HA LEU A 44 -2.491 4.039 -6.312 1.00 12.45 H new ATOM 0 HB2 LEU A 44 -0.318 3.099 -4.550 1.00 2.03 H new ATOM 0 HB3 LEU A 44 -1.128 4.533 -3.951 1.00 2.03 H new ATOM 0 HG LEU A 44 -1.967 2.217 -3.193 1.00 64.14 H new ATOM 0 HD11 LEU A 44 -4.294 3.020 -3.105 1.00 13.23 H new ATOM 0 HD12 LEU A 44 -3.134 4.313 -2.720 1.00 13.23 H new ATOM 0 HD13 LEU A 44 -3.907 4.259 -4.322 1.00 13.23 H new ATOM 0 HD21 LEU A 44 -3.674 1.207 -4.659 1.00 33.04 H new ATOM 0 HD22 LEU A 44 -3.262 2.377 -5.936 1.00 33.04 H new ATOM 0 HD23 LEU A 44 -2.059 1.176 -5.408 1.00 33.04 H new ATOM 644 N SER A 45 -2.065 6.496 -5.937 1.00 45.12 N ATOM 645 CA SER A 45 -1.845 7.936 -6.005 1.00 64.11 C ATOM 646 C SER A 45 -2.316 8.618 -4.725 1.00 75.43 C ATOM 647 O SER A 45 -3.054 8.048 -3.922 1.00 11.41 O ATOM 648 CB SER A 45 -2.577 8.528 -7.211 1.00 63.20 C ATOM 649 OG SER A 45 -3.596 7.655 -7.668 1.00 41.02 O ATOM 0 H SER A 45 -3.027 6.225 -5.732 1.00 45.12 H new ATOM 0 HA SER A 45 -0.775 8.111 -6.117 1.00 64.11 H new ATOM 0 HB2 SER A 45 -3.012 9.490 -6.940 1.00 63.20 H new ATOM 0 HB3 SER A 45 -1.866 8.715 -8.016 1.00 63.20 H new ATOM 0 HG SER A 45 -4.050 8.057 -8.438 1.00 41.02 H new ATOM 772 N ALA A 56 -9.563 0.912 -2.558 1.00 65.22 N ATOM 773 CA ALA A 56 -9.198 1.605 -1.329 1.00 63.31 C ATOM 774 C ALA A 56 -9.037 3.102 -1.570 1.00 4.42 C ATOM 775 O ALA A 56 -9.087 3.566 -2.708 1.00 33.51 O ATOM 776 CB ALA A 56 -7.916 1.019 -0.756 1.00 55.51 C ATOM 0 HA ALA A 56 -10.003 1.465 -0.608 1.00 63.31 H new ATOM 0 HB1 ALA A 56 -7.654 1.545 0.162 1.00 55.51 H new ATOM 0 HB2 ALA A 56 -8.065 -0.039 -0.538 1.00 55.51 H new ATOM 0 HB3 ALA A 56 -7.109 1.130 -1.481 1.00 55.51 H new ATOM 782 N ARG A 57 -8.844 3.852 -0.490 1.00 20.33 N ATOM 783 CA ARG A 57 -8.680 5.298 -0.584 1.00 54.15 C ATOM 784 C ARG A 57 -7.372 5.740 0.070 1.00 24.34 C ATOM 785 O ARG A 57 -6.803 5.021 0.890 1.00 1.42 O ATOM 786 CB ARG A 57 -9.858 6.013 0.077 1.00 24.22 C ATOM 787 CG ARG A 57 -10.656 5.127 1.021 1.00 63.30 C ATOM 788 CD ARG A 57 -9.845 4.748 2.249 1.00 12.13 C ATOM 789 NE ARG A 57 -10.234 5.524 3.422 1.00 14.30 N ATOM 790 CZ ARG A 57 -11.379 5.352 4.072 1.00 5.03 C ATOM 791 NH1 ARG A 57 -12.244 4.434 3.665 1.00 43.33 N ATOM 792 NH2 ARG A 57 -11.661 6.098 5.133 1.00 35.35 N ATOM 0 H ARG A 57 -8.797 3.483 0.460 1.00 20.33 H new ATOM 0 HA ARG A 57 -8.649 5.566 -1.640 1.00 54.15 H new ATOM 0 HB2 ARG A 57 -9.485 6.875 0.630 1.00 24.22 H new ATOM 0 HB3 ARG A 57 -10.522 6.394 -0.699 1.00 24.22 H new ATOM 0 HG2 ARG A 57 -11.563 5.646 1.329 1.00 63.30 H new ATOM 0 HG3 ARG A 57 -10.968 4.224 0.497 1.00 63.30 H new ATOM 0 HD2 ARG A 57 -9.977 3.686 2.457 1.00 12.13 H new ATOM 0 HD3 ARG A 57 -8.785 4.904 2.046 1.00 12.13 H new ATOM 0 HE ARG A 57 -9.590 6.239 3.762 1.00 14.30 H new ATOM 0 HH11 ARG A 57 -12.031 3.858 2.851 1.00 43.33 H new ATOM 0 HH12 ARG A 57 -13.123 4.304 4.166 1.00 43.33 H new ATOM 0 HH21 ARG A 57 -10.998 6.805 5.450 1.00 35.35 H new ATOM 0 HH22 ARG A 57 -12.541 5.964 5.631 1.00 35.35 H new ATOM 803 N VAL A 58 -6.902 6.927 -0.300 1.00 62.30 N ATOM 804 CA VAL A 58 -5.664 7.464 0.250 1.00 33.20 C ATOM 805 C VAL A 58 -5.941 8.631 1.189 1.00 75.42 C ATOM 806 O VAL A 58 -6.668 9.564 0.841 1.00 0.52 O ATOM 807 CB VAL A 58 -4.710 7.931 -0.866 1.00 65.21 C ATOM 808 CG1 VAL A 58 -3.453 8.548 -0.272 1.00 42.21 C ATOM 809 CG2 VAL A 58 -4.360 6.774 -1.787 1.00 65.20 C ATOM 0 H VAL A 58 -7.360 7.535 -0.979 1.00 62.30 H new ATOM 0 HA VAL A 58 -5.189 6.657 0.809 1.00 33.20 H new ATOM 0 HB VAL A 58 -5.217 8.695 -1.456 1.00 65.21 H new ATOM 0 HG11 VAL A 58 -2.792 8.872 -1.076 1.00 42.21 H new ATOM 0 HG12 VAL A 58 -3.724 9.406 0.342 1.00 42.21 H new ATOM 0 HG13 VAL A 58 -2.941 7.809 0.344 1.00 42.21 H new ATOM 0 HG21 VAL A 58 -3.685 7.123 -2.569 1.00 65.20 H new ATOM 0 HG22 VAL A 58 -3.873 5.986 -1.212 1.00 65.20 H new ATOM 0 HG23 VAL A 58 -5.270 6.382 -2.241 1.00 65.20 H new ATOM 819 N LEU A 59 -5.358 8.576 2.381 1.00 50.41 N ATOM 820 CA LEU A 59 -5.541 9.631 3.373 1.00 62.35 C ATOM 821 C LEU A 59 -4.863 10.922 2.925 1.00 22.53 C ATOM 822 O LEU A 59 -3.946 10.919 2.104 1.00 20.14 O ATOM 823 CB LEU A 59 -4.981 9.189 4.725 1.00 41.23 C ATOM 824 CG LEU A 59 -5.795 8.136 5.478 1.00 55.43 C ATOM 825 CD1 LEU A 59 -5.007 7.598 6.662 1.00 54.11 C ATOM 826 CD2 LEU A 59 -7.122 8.718 5.939 1.00 30.11 C ATOM 0 H LEU A 59 -4.754 7.812 2.685 1.00 50.41 H new ATOM 0 HA LEU A 59 -6.610 9.820 3.474 1.00 62.35 H new ATOM 0 HB2 LEU A 59 -3.975 8.798 4.569 1.00 41.23 H new ATOM 0 HB3 LEU A 59 -4.886 10.069 5.361 1.00 41.23 H new ATOM 0 HG LEU A 59 -6.000 7.309 4.798 1.00 55.43 H new ATOM 0 HD11 LEU A 59 -5.602 6.850 7.186 1.00 54.11 H new ATOM 0 HD12 LEU A 59 -4.083 7.143 6.307 1.00 54.11 H new ATOM 0 HD13 LEU A 59 -4.771 8.415 7.343 1.00 54.11 H new ATOM 0 HD21 LEU A 59 -7.688 7.955 6.473 1.00 30.11 H new ATOM 0 HD22 LEU A 59 -6.938 9.563 6.602 1.00 30.11 H new ATOM 0 HD23 LEU A 59 -7.693 9.054 5.073 1.00 30.11 H new ATOM 837 N PRO A 60 -5.323 12.054 3.479 1.00 60.14 N ATOM 838 CA PRO A 60 -4.773 13.374 3.154 1.00 21.34 C ATOM 839 C PRO A 60 -3.361 13.565 3.700 1.00 23.43 C ATOM 840 O PRO A 60 -2.606 14.401 3.210 1.00 31.12 O ATOM 841 CB PRO A 60 -5.745 14.341 3.836 1.00 61.45 C ATOM 842 CG PRO A 60 -6.341 13.554 4.952 1.00 31.11 C ATOM 843 CD PRO A 60 -6.415 12.133 4.465 1.00 72.13 C ATOM 0 HA PRO A 60 -4.684 13.525 2.078 1.00 21.34 H new ATOM 0 HB2 PRO A 60 -5.228 15.226 4.207 1.00 61.45 H new ATOM 0 HB3 PRO A 60 -6.511 14.687 3.142 1.00 61.45 H new ATOM 0 HG2 PRO A 60 -5.729 13.627 5.851 1.00 31.11 H new ATOM 0 HG3 PRO A 60 -7.331 13.930 5.209 1.00 31.11 H new ATOM 0 HD2 PRO A 60 -6.274 11.421 5.279 1.00 72.13 H new ATOM 0 HD3 PRO A 60 -7.382 11.913 4.013 1.00 72.13 H new ATOM 848 N ASN A 61 -3.015 12.783 4.716 1.00 4.52 N ATOM 849 CA ASN A 61 -1.694 12.866 5.329 1.00 30.52 C ATOM 850 C ASN A 61 -0.676 12.049 4.540 1.00 23.32 C ATOM 851 O ASN A 61 0.499 11.986 4.899 1.00 3.51 O ATOM 852 CB ASN A 61 -1.747 12.374 6.777 1.00 12.12 C ATOM 853 CG ASN A 61 -2.476 11.050 6.911 1.00 20.11 C ATOM 854 OD1 ASN A 61 -2.643 10.319 5.934 1.00 54.15 O ATOM 855 ND2 ASN A 61 -2.913 10.736 8.124 1.00 42.31 N ATOM 0 H ASN A 61 -3.630 12.084 5.133 1.00 4.52 H new ATOM 0 HA ASN A 61 -1.382 13.910 5.319 1.00 30.52 H new ATOM 0 HB2 ASN A 61 -0.732 12.267 7.159 1.00 12.12 H new ATOM 0 HB3 ASN A 61 -2.243 13.123 7.395 1.00 12.12 H new ATOM 0 HD21 ASN A 61 -3.410 9.858 8.276 1.00 42.31 H new ATOM 0 HD22 ASN A 61 -2.752 11.372 8.905 1.00 42.31 H new ATOM 861 N GLY A 62 -1.136 11.422 3.461 1.00 32.32 N ATOM 862 CA GLY A 62 -0.253 10.617 2.636 1.00 24.14 C ATOM 863 C GLY A 62 -0.234 9.161 3.060 1.00 35.33 C ATOM 864 O GLY A 62 0.782 8.480 2.915 1.00 25.35 O ATOM 0 H GLY A 62 -2.105 11.457 3.143 1.00 32.32 H new ATOM 0 HA2 GLY A 62 -0.570 10.685 1.595 1.00 24.14 H new ATOM 0 HA3 GLY A 62 0.758 11.021 2.689 1.00 24.14 H new ATOM 868 N SER A 63 -1.356 8.684 3.586 1.00 22.13 N ATOM 869 CA SER A 63 -1.462 7.302 4.037 1.00 11.21 C ATOM 870 C SER A 63 -2.426 6.515 3.154 1.00 51.20 C ATOM 871 O SER A 63 -3.039 7.065 2.238 1.00 53.05 O ATOM 872 CB SER A 63 -1.929 7.252 5.493 1.00 24.51 C ATOM 873 OG SER A 63 -0.833 7.345 6.383 1.00 0.23 O ATOM 0 H SER A 63 -2.206 9.234 3.711 1.00 22.13 H new ATOM 0 HA SER A 63 -0.475 6.845 3.964 1.00 11.21 H new ATOM 0 HB2 SER A 63 -2.626 8.068 5.683 1.00 24.51 H new ATOM 0 HB3 SER A 63 -2.470 6.323 5.673 1.00 24.51 H new ATOM 0 HG SER A 63 -1.158 7.312 7.307 1.00 0.23 H new ATOM 878 N LEU A 64 -2.558 5.223 3.438 1.00 73.53 N ATOM 879 CA LEU A 64 -3.448 4.358 2.669 1.00 1.44 C ATOM 880 C LEU A 64 -4.386 3.587 3.592 1.00 33.12 C ATOM 881 O LEU A 64 -3.946 2.933 4.537 1.00 11.42 O ATOM 882 CB LEU A 64 -2.632 3.380 1.820 1.00 32.42 C ATOM 883 CG LEU A 64 -3.400 2.188 1.250 1.00 74.22 C ATOM 884 CD1 LEU A 64 -4.557 2.663 0.384 1.00 45.14 C ATOM 885 CD2 LEU A 64 -2.468 1.287 0.450 1.00 35.35 C ATOM 0 H LEU A 64 -2.061 4.752 4.194 1.00 73.53 H new ATOM 0 HA LEU A 64 -4.049 4.987 2.012 1.00 1.44 H new ATOM 0 HB2 LEU A 64 -2.188 3.932 0.991 1.00 32.42 H new ATOM 0 HB3 LEU A 64 -1.810 3.001 2.427 1.00 32.42 H new ATOM 0 HG LEU A 64 -3.807 1.612 2.081 1.00 74.22 H new ATOM 0 HD11 LEU A 64 -5.092 1.801 -0.013 1.00 45.14 H new ATOM 0 HD12 LEU A 64 -5.237 3.267 0.985 1.00 45.14 H new ATOM 0 HD13 LEU A 64 -4.172 3.262 -0.441 1.00 45.14 H new ATOM 0 HD21 LEU A 64 -3.031 0.443 0.051 1.00 35.35 H new ATOM 0 HD22 LEU A 64 -2.032 1.853 -0.373 1.00 35.35 H new ATOM 0 HD23 LEU A 64 -1.673 0.919 1.098 1.00 35.35 H new ATOM 896 N PHE A 65 -5.683 3.669 3.310 1.00 31.13 N ATOM 897 CA PHE A 65 -6.684 2.979 4.113 1.00 41.13 C ATOM 898 C PHE A 65 -7.569 2.095 3.237 1.00 1.55 C ATOM 899 O PHE A 65 -8.045 2.521 2.186 1.00 31.44 O ATOM 900 CB PHE A 65 -7.547 3.989 4.872 1.00 34.21 C ATOM 901 CG PHE A 65 -8.533 3.353 5.809 1.00 3.40 C ATOM 902 CD1 PHE A 65 -9.720 2.823 5.330 1.00 60.14 C ATOM 903 CD2 PHE A 65 -8.273 3.285 7.168 1.00 15.44 C ATOM 904 CE1 PHE A 65 -10.631 2.236 6.190 1.00 2.40 C ATOM 905 CE2 PHE A 65 -9.178 2.699 8.032 1.00 22.44 C ATOM 906 CZ PHE A 65 -10.360 2.175 7.543 1.00 50.05 C ATOM 0 H PHE A 65 -6.064 4.207 2.531 1.00 31.13 H new ATOM 0 HA PHE A 65 -6.163 2.346 4.831 1.00 41.13 H new ATOM 0 HB2 PHE A 65 -6.897 4.656 5.439 1.00 34.21 H new ATOM 0 HB3 PHE A 65 -8.087 4.605 4.153 1.00 34.21 H new ATOM 0 HD1 PHE A 65 -9.937 2.869 4.273 1.00 60.14 H new ATOM 0 HD2 PHE A 65 -7.352 3.695 7.557 1.00 15.44 H new ATOM 0 HE1 PHE A 65 -11.553 1.826 5.804 1.00 2.40 H new ATOM 0 HE2 PHE A 65 -8.962 2.650 9.089 1.00 22.44 H new ATOM 0 HZ PHE A 65 -11.070 1.719 8.217 1.00 50.05 H new ATOM 915 N LEU A 66 -7.784 0.861 3.680 1.00 4.05 N ATOM 916 CA LEU A 66 -8.611 -0.085 2.938 1.00 50.15 C ATOM 917 C LEU A 66 -9.806 -0.536 3.772 1.00 13.41 C ATOM 918 O LEU A 66 -9.671 -0.925 4.934 1.00 3.15 O ATOM 919 CB LEU A 66 -7.780 -1.299 2.517 1.00 3.32 C ATOM 920 CG LEU A 66 -6.590 -1.013 1.601 1.00 62.45 C ATOM 921 CD1 LEU A 66 -5.282 -1.176 2.356 1.00 40.22 C ATOM 922 CD2 LEU A 66 -6.624 -1.926 0.385 1.00 61.13 C ATOM 0 H LEU A 66 -7.397 0.492 4.549 1.00 4.05 H new ATOM 0 HA LEU A 66 -8.984 0.419 2.046 1.00 50.15 H new ATOM 0 HB2 LEU A 66 -7.410 -1.791 3.417 1.00 3.32 H new ATOM 0 HB3 LEU A 66 -8.438 -2.008 2.014 1.00 3.32 H new ATOM 0 HG LEU A 66 -6.660 0.019 1.259 1.00 62.45 H new ATOM 0 HD11 LEU A 66 -4.447 -0.968 1.687 1.00 40.22 H new ATOM 0 HD12 LEU A 66 -5.257 -0.480 3.195 1.00 40.22 H new ATOM 0 HD13 LEU A 66 -5.202 -2.197 2.729 1.00 40.22 H new ATOM 0 HD21 LEU A 66 -5.770 -1.709 -0.257 1.00 61.13 H new ATOM 0 HD22 LEU A 66 -6.580 -2.966 0.709 1.00 61.13 H new ATOM 0 HD23 LEU A 66 -7.547 -1.758 -0.170 1.00 61.13 H new ATOM 933 N PRO A 67 -11.002 -0.487 3.170 1.00 33.12 N ATOM 934 CA PRO A 67 -12.242 -0.889 3.837 1.00 43.31 C ATOM 935 C PRO A 67 -12.313 -2.395 4.071 1.00 14.42 C ATOM 936 O PRO A 67 -12.829 -2.851 5.092 1.00 64.15 O ATOM 937 CB PRO A 67 -13.333 -0.450 2.858 1.00 73.10 C ATOM 938 CG PRO A 67 -12.662 -0.433 1.528 1.00 42.01 C ATOM 939 CD PRO A 67 -11.236 -0.035 1.788 1.00 42.22 C ATOM 0 HA PRO A 67 -12.334 -0.442 4.827 1.00 43.31 H new ATOM 0 HB2 PRO A 67 -14.176 -1.141 2.868 1.00 73.10 H new ATOM 0 HB3 PRO A 67 -13.725 0.534 3.117 1.00 73.10 H new ATOM 0 HG2 PRO A 67 -12.713 -1.413 1.053 1.00 42.01 H new ATOM 0 HG3 PRO A 67 -13.148 0.274 0.855 1.00 42.01 H new ATOM 0 HD2 PRO A 67 -10.551 -0.513 1.088 1.00 42.22 H new ATOM 0 HD3 PRO A 67 -11.095 1.041 1.688 1.00 42.22 H new ATOM 944 N ALA A 68 -11.790 -3.162 3.121 1.00 31.20 N ATOM 945 CA ALA A 68 -11.791 -4.615 3.225 1.00 60.44 C ATOM 946 C ALA A 68 -10.793 -5.236 2.254 1.00 44.21 C ATOM 947 O ALA A 68 -11.060 -5.346 1.057 1.00 53.33 O ATOM 948 CB ALA A 68 -13.189 -5.162 2.968 1.00 52.32 C ATOM 0 H ALA A 68 -11.360 -2.801 2.270 1.00 31.20 H new ATOM 0 HA ALA A 68 -11.488 -4.882 4.237 1.00 60.44 H new ATOM 0 HB1 ALA A 68 -13.175 -6.249 3.049 1.00 52.32 H new ATOM 0 HB2 ALA A 68 -13.881 -4.752 3.704 1.00 52.32 H new ATOM 0 HB3 ALA A 68 -13.513 -4.877 1.967 1.00 52.32 H new ATOM 954 N VAL A 69 -9.639 -5.641 2.778 1.00 61.55 N ATOM 955 CA VAL A 69 -8.600 -6.252 1.958 1.00 72.12 C ATOM 956 C VAL A 69 -8.980 -7.672 1.556 1.00 64.12 C ATOM 957 O VAL A 69 -9.146 -8.545 2.406 1.00 42.23 O ATOM 958 CB VAL A 69 -7.247 -6.282 2.694 1.00 5.34 C ATOM 959 CG1 VAL A 69 -6.679 -4.878 2.826 1.00 4.10 C ATOM 960 CG2 VAL A 69 -7.402 -6.934 4.062 1.00 63.43 C ATOM 0 H VAL A 69 -9.401 -5.557 3.766 1.00 61.55 H new ATOM 0 HA VAL A 69 -8.503 -5.638 1.062 1.00 72.12 H new ATOM 0 HB VAL A 69 -6.546 -6.877 2.108 1.00 5.34 H new ATOM 0 HG11 VAL A 69 -5.723 -4.920 3.348 1.00 4.10 H new ATOM 0 HG12 VAL A 69 -6.532 -4.450 1.834 1.00 4.10 H new ATOM 0 HG13 VAL A 69 -7.374 -4.256 3.390 1.00 4.10 H new ATOM 0 HG21 VAL A 69 -6.438 -6.948 4.570 1.00 63.43 H new ATOM 0 HG22 VAL A 69 -8.117 -6.366 4.657 1.00 63.43 H new ATOM 0 HG23 VAL A 69 -7.762 -7.955 3.940 1.00 63.43 H new ATOM 970 N GLY A 70 -9.116 -7.897 0.252 1.00 2.20 N ATOM 971 CA GLY A 70 -9.475 -9.214 -0.240 1.00 22.40 C ATOM 972 C GLY A 70 -8.273 -10.125 -0.387 1.00 44.54 C ATOM 973 O GLY A 70 -7.133 -9.662 -0.404 1.00 75.12 O ATOM 0 H GLY A 70 -8.984 -7.191 -0.472 1.00 2.20 H new ATOM 0 HA2 GLY A 70 -10.192 -9.671 0.443 1.00 22.40 H new ATOM 0 HA3 GLY A 70 -9.972 -9.115 -1.205 1.00 22.40 H new ATOM 977 N ILE A 71 -8.527 -11.425 -0.491 1.00 43.11 N ATOM 978 CA ILE A 71 -7.457 -12.405 -0.636 1.00 32.34 C ATOM 979 C ILE A 71 -6.576 -12.082 -1.837 1.00 33.33 C ATOM 980 O ILE A 71 -5.380 -12.371 -1.839 1.00 11.34 O ATOM 981 CB ILE A 71 -8.017 -13.831 -0.791 1.00 51.42 C ATOM 982 CG1 ILE A 71 -6.990 -14.859 -0.313 1.00 65.33 C ATOM 983 CG2 ILE A 71 -8.401 -14.093 -2.240 1.00 61.21 C ATOM 984 CD1 ILE A 71 -6.871 -16.063 -1.222 1.00 55.42 C ATOM 0 H ILE A 71 -9.465 -11.825 -0.478 1.00 43.11 H new ATOM 0 HA ILE A 71 -6.858 -12.357 0.274 1.00 32.34 H new ATOM 0 HB ILE A 71 -8.911 -13.925 -0.175 1.00 51.42 H new ATOM 0 HG12 ILE A 71 -6.016 -14.377 -0.233 1.00 65.33 H new ATOM 0 HG13 ILE A 71 -7.263 -15.195 0.687 1.00 65.33 H new ATOM 0 HG21 ILE A 71 -8.795 -15.105 -2.335 1.00 61.21 H new ATOM 0 HG22 ILE A 71 -9.162 -13.377 -2.550 1.00 61.21 H new ATOM 0 HG23 ILE A 71 -7.521 -13.986 -2.875 1.00 61.21 H new ATOM 0 HD11 ILE A 71 -6.125 -16.749 -0.821 1.00 55.42 H new ATOM 0 HD12 ILE A 71 -7.834 -16.569 -1.283 1.00 55.42 H new ATOM 0 HD13 ILE A 71 -6.568 -15.739 -2.218 1.00 55.42 H new ATOM 995 N GLN A 72 -7.176 -11.479 -2.859 1.00 21.34 N ATOM 996 CA GLN A 72 -6.445 -11.114 -4.067 1.00 43.11 C ATOM 997 C GLN A 72 -5.558 -9.898 -3.820 1.00 52.15 C ATOM 998 O GLN A 72 -4.620 -9.641 -4.575 1.00 13.11 O ATOM 999 CB GLN A 72 -7.419 -10.827 -5.210 1.00 71.44 C ATOM 1000 CG GLN A 72 -7.846 -12.070 -5.975 1.00 52.13 C ATOM 1001 CD GLN A 72 -9.071 -11.835 -6.836 1.00 74.14 C ATOM 1002 OE1 GLN A 72 -10.157 -12.332 -6.539 1.00 35.32 O ATOM 1003 NE2 GLN A 72 -8.901 -11.074 -7.910 1.00 33.43 N ATOM 0 H GLN A 72 -8.166 -11.233 -2.874 1.00 21.34 H new ATOM 0 HA GLN A 72 -5.808 -11.954 -4.344 1.00 43.11 H new ATOM 0 HB2 GLN A 72 -8.305 -10.337 -4.806 1.00 71.44 H new ATOM 0 HB3 GLN A 72 -6.955 -10.126 -5.904 1.00 71.44 H new ATOM 0 HG2 GLN A 72 -7.022 -12.404 -6.606 1.00 52.13 H new ATOM 0 HG3 GLN A 72 -8.053 -12.874 -5.268 1.00 52.13 H new ATOM 0 HE21 GLN A 72 -7.982 -10.683 -8.117 1.00 33.43 H new ATOM 0 HE22 GLN A 72 -9.689 -10.881 -8.528 1.00 33.43 H new ATOM 1010 N ASP A 73 -5.860 -9.156 -2.763 1.00 24.34 N ATOM 1011 CA ASP A 73 -5.090 -7.967 -2.416 1.00 2.04 C ATOM 1012 C ASP A 73 -3.725 -8.350 -1.852 1.00 22.50 C ATOM 1013 O ASP A 73 -2.887 -7.488 -1.591 1.00 61.41 O ATOM 1014 CB ASP A 73 -5.854 -7.116 -1.402 1.00 75.33 C ATOM 1015 CG ASP A 73 -5.242 -7.178 -0.017 1.00 34.03 C ATOM 1016 OD1 ASP A 73 -5.155 -8.290 0.544 1.00 42.43 O ATOM 1017 OD2 ASP A 73 -4.851 -6.114 0.508 1.00 24.33 O ATOM 0 H ASP A 73 -6.634 -9.356 -2.129 1.00 24.34 H new ATOM 0 HA ASP A 73 -4.938 -7.385 -3.325 1.00 2.04 H new ATOM 0 HB2 ASP A 73 -5.873 -6.080 -1.742 1.00 75.33 H new ATOM 0 HB3 ASP A 73 -6.889 -7.455 -1.354 1.00 75.33 H new ATOM 1021 N GLU A 74 -3.510 -9.648 -1.666 1.00 43.05 N ATOM 1022 CA GLU A 74 -2.248 -10.144 -1.131 1.00 44.44 C ATOM 1023 C GLU A 74 -1.078 -9.720 -2.015 1.00 60.23 C ATOM 1024 O GLU A 74 -1.188 -9.696 -3.240 1.00 34.14 O ATOM 1025 CB GLU A 74 -2.283 -11.670 -1.011 1.00 72.23 C ATOM 1026 CG GLU A 74 -2.108 -12.172 0.412 1.00 54.34 C ATOM 1027 CD GLU A 74 -2.075 -13.686 0.497 1.00 31.14 C ATOM 1028 OE1 GLU A 74 -2.229 -14.341 -0.555 1.00 71.32 O ATOM 1029 OE2 GLU A 74 -1.895 -14.214 1.613 1.00 45.53 O ATOM 0 H GLU A 74 -4.193 -10.375 -1.878 1.00 43.05 H new ATOM 0 HA GLU A 74 -2.109 -9.712 -0.140 1.00 44.44 H new ATOM 0 HB2 GLU A 74 -3.233 -12.035 -1.402 1.00 72.23 H new ATOM 0 HB3 GLU A 74 -1.497 -12.093 -1.636 1.00 72.23 H new ATOM 0 HG2 GLU A 74 -1.183 -11.768 0.824 1.00 54.34 H new ATOM 0 HG3 GLU A 74 -2.923 -11.795 1.029 1.00 54.34 H new ATOM 1034 N GLY A 75 0.043 -9.385 -1.382 1.00 43.43 N ATOM 1035 CA GLY A 75 1.217 -8.965 -2.125 1.00 25.34 C ATOM 1036 C GLY A 75 2.143 -8.094 -1.301 1.00 14.01 C ATOM 1037 O GLY A 75 2.191 -8.212 -0.077 1.00 13.35 O ATOM 0 H GLY A 75 0.159 -9.397 -0.369 1.00 43.43 H new ATOM 0 HA2 GLY A 75 1.761 -9.845 -2.468 1.00 25.34 H new ATOM 0 HA3 GLY A 75 0.904 -8.418 -3.014 1.00 25.34 H new ATOM 1041 N ILE A 76 2.882 -7.218 -1.973 1.00 71.21 N ATOM 1042 CA ILE A 76 3.812 -6.324 -1.295 1.00 1.32 C ATOM 1043 C ILE A 76 3.521 -4.866 -1.634 1.00 4.24 C ATOM 1044 O ILE A 76 3.313 -4.518 -2.796 1.00 74.12 O ATOM 1045 CB ILE A 76 5.272 -6.642 -1.667 1.00 51.53 C ATOM 1046 CG1 ILE A 76 5.668 -8.023 -1.136 1.00 21.12 C ATOM 1047 CG2 ILE A 76 6.205 -5.573 -1.120 1.00 53.33 C ATOM 1048 CD1 ILE A 76 5.082 -9.167 -1.934 1.00 52.11 C ATOM 0 H ILE A 76 2.855 -7.108 -2.987 1.00 71.21 H new ATOM 0 HA ILE A 76 3.675 -6.481 -0.225 1.00 1.32 H new ATOM 0 HB ILE A 76 5.359 -6.651 -2.753 1.00 51.53 H new ATOM 0 HG12 ILE A 76 6.755 -8.107 -1.140 1.00 21.12 H new ATOM 0 HG13 ILE A 76 5.345 -8.111 -0.099 1.00 21.12 H new ATOM 0 HG21 ILE A 76 7.233 -5.813 -1.392 1.00 53.33 H new ATOM 0 HG22 ILE A 76 5.935 -4.604 -1.541 1.00 53.33 H new ATOM 0 HG23 ILE A 76 6.117 -5.534 -0.034 1.00 53.33 H new ATOM 0 HD11 ILE A 76 5.404 -10.114 -1.502 1.00 52.11 H new ATOM 0 HD12 ILE A 76 3.994 -9.108 -1.909 1.00 52.11 H new ATOM 0 HD13 ILE A 76 5.426 -9.104 -2.967 1.00 52.11 H new ATOM 1059 N PHE A 77 3.507 -4.018 -0.611 1.00 33.10 N ATOM 1060 CA PHE A 77 3.242 -2.597 -0.800 1.00 15.00 C ATOM 1061 C PHE A 77 4.535 -1.788 -0.738 1.00 0.34 C ATOM 1062 O PHE A 77 5.352 -1.974 0.165 1.00 35.13 O ATOM 1063 CB PHE A 77 2.261 -2.093 0.262 1.00 51.41 C ATOM 1064 CG PHE A 77 0.863 -2.613 0.082 1.00 52.01 C ATOM 1065 CD1 PHE A 77 0.605 -3.973 0.124 1.00 21.02 C ATOM 1066 CD2 PHE A 77 -0.191 -1.740 -0.132 1.00 13.11 C ATOM 1067 CE1 PHE A 77 -0.681 -4.454 -0.042 1.00 74.10 C ATOM 1068 CE2 PHE A 77 -1.478 -2.215 -0.297 1.00 12.23 C ATOM 1069 CZ PHE A 77 -1.722 -3.573 -0.254 1.00 2.04 C ATOM 0 H PHE A 77 3.676 -4.290 0.357 1.00 33.10 H new ATOM 0 HA PHE A 77 2.799 -2.465 -1.787 1.00 15.00 H new ATOM 0 HB2 PHE A 77 2.624 -2.384 1.248 1.00 51.41 H new ATOM 0 HB3 PHE A 77 2.241 -1.003 0.238 1.00 51.41 H new ATOM 0 HD1 PHE A 77 1.417 -4.666 0.288 1.00 21.02 H new ATOM 0 HD2 PHE A 77 -0.005 -0.677 -0.170 1.00 13.11 H new ATOM 0 HE1 PHE A 77 -0.870 -5.517 -0.006 1.00 74.10 H new ATOM 0 HE2 PHE A 77 -2.292 -1.524 -0.459 1.00 12.23 H new ATOM 0 HZ PHE A 77 -2.727 -3.946 -0.386 1.00 2.04 H new ATOM 1078 N ARG A 78 4.713 -0.893 -1.704 1.00 23.31 N ATOM 1079 CA ARG A 78 5.906 -0.058 -1.761 1.00 13.31 C ATOM 1080 C ARG A 78 5.534 1.417 -1.881 1.00 25.24 C ATOM 1081 O ARG A 78 4.663 1.786 -2.671 1.00 45.22 O ATOM 1082 CB ARG A 78 6.787 -0.470 -2.942 1.00 54.13 C ATOM 1083 CG ARG A 78 8.257 -0.616 -2.584 1.00 61.21 C ATOM 1084 CD ARG A 78 8.948 0.736 -2.505 1.00 14.12 C ATOM 1085 NE ARG A 78 9.034 1.385 -3.810 1.00 44.32 N ATOM 1086 CZ ARG A 78 9.618 2.560 -4.011 1.00 73.10 C ATOM 1087 NH1 ARG A 78 10.166 3.212 -2.995 1.00 51.22 N ATOM 1088 NH2 ARG A 78 9.655 3.086 -5.228 1.00 44.33 N ATOM 0 H ARG A 78 4.046 -0.728 -2.458 1.00 23.31 H new ATOM 0 HA ARG A 78 6.462 -0.200 -0.834 1.00 13.31 H new ATOM 0 HB2 ARG A 78 6.424 -1.416 -3.343 1.00 54.13 H new ATOM 0 HB3 ARG A 78 6.687 0.271 -3.735 1.00 54.13 H new ATOM 0 HG2 ARG A 78 8.350 -1.130 -1.627 1.00 61.21 H new ATOM 0 HG3 ARG A 78 8.754 -1.237 -3.329 1.00 61.21 H new ATOM 0 HD2 ARG A 78 8.404 1.381 -1.815 1.00 14.12 H new ATOM 0 HD3 ARG A 78 9.951 0.607 -2.098 1.00 14.12 H new ATOM 0 HE ARG A 78 8.622 0.909 -4.612 1.00 44.32 H new ATOM 0 HH11 ARG A 78 10.139 2.811 -2.058 1.00 51.22 H new ATOM 0 HH12 ARG A 78 10.614 4.115 -3.151 1.00 51.22 H new ATOM 0 HH21 ARG A 78 9.234 2.588 -6.012 1.00 44.33 H new ATOM 0 HH22 ARG A 78 10.104 3.989 -5.380 1.00 44.33 H new ATOM 1099 N CYS A 79 6.196 2.256 -1.092 1.00 44.02 N ATOM 1100 CA CYS A 79 5.934 3.690 -1.108 1.00 51.25 C ATOM 1101 C CYS A 79 7.194 4.469 -1.475 1.00 22.10 C ATOM 1102 O CYS A 79 8.305 4.069 -1.129 1.00 54.32 O ATOM 1103 CB CYS A 79 5.415 4.149 0.255 1.00 34.43 C ATOM 1104 SG CYS A 79 5.948 5.828 0.726 1.00 42.30 S ATOM 0 H CYS A 79 6.919 1.967 -0.433 1.00 44.02 H new ATOM 0 HA CYS A 79 5.174 3.888 -1.864 1.00 51.25 H new ATOM 0 HB2 CYS A 79 4.326 4.114 0.248 1.00 34.43 H new ATOM 0 HB3 CYS A 79 5.752 3.445 1.016 1.00 34.43 H new ATOM 1108 N GLN A 80 7.011 5.582 -2.179 1.00 1.24 N ATOM 1109 CA GLN A 80 8.133 6.416 -2.592 1.00 30.21 C ATOM 1110 C GLN A 80 7.780 7.896 -2.485 1.00 32.34 C ATOM 1111 O GLN A 80 6.776 8.347 -3.037 1.00 43.32 O ATOM 1112 CB GLN A 80 8.543 6.080 -4.027 1.00 22.21 C ATOM 1113 CG GLN A 80 9.939 6.560 -4.389 1.00 55.33 C ATOM 1114 CD GLN A 80 10.126 6.740 -5.882 1.00 13.01 C ATOM 1115 OE1 GLN A 80 9.270 7.306 -6.563 1.00 63.50 O ATOM 1116 NE2 GLN A 80 11.250 6.259 -6.401 1.00 12.33 N ATOM 0 H GLN A 80 6.098 5.926 -2.475 1.00 1.24 H new ATOM 0 HA GLN A 80 8.970 6.212 -1.924 1.00 30.21 H new ATOM 0 HB2 GLN A 80 8.491 5.000 -4.167 1.00 22.21 H new ATOM 0 HB3 GLN A 80 7.825 6.526 -4.715 1.00 22.21 H new ATOM 0 HG2 GLN A 80 10.135 7.507 -3.886 1.00 55.33 H new ATOM 0 HG3 GLN A 80 10.673 5.844 -4.019 1.00 55.33 H new ATOM 0 HE21 GLN A 80 11.932 5.797 -5.800 1.00 12.33 H new ATOM 0 HE22 GLN A 80 11.431 6.352 -7.401 1.00 12.33 H new ATOM 1123 N ALA A 81 8.611 8.646 -1.769 1.00 31.21 N ATOM 1124 CA ALA A 81 8.386 10.076 -1.590 1.00 32.12 C ATOM 1125 C ALA A 81 9.660 10.869 -1.860 1.00 31.10 C ATOM 1126 O ALA A 81 10.756 10.310 -1.893 1.00 71.20 O ATOM 1127 CB ALA A 81 7.874 10.358 -0.185 1.00 71.00 C ATOM 0 H ALA A 81 9.445 8.288 -1.304 1.00 31.21 H new ATOM 0 HA ALA A 81 7.632 10.393 -2.310 1.00 32.12 H new ATOM 0 HB1 ALA A 81 7.710 11.429 -0.065 1.00 71.00 H new ATOM 0 HB2 ALA A 81 6.935 9.828 -0.027 1.00 71.00 H new ATOM 0 HB3 ALA A 81 8.609 10.020 0.545 1.00 71.00 H new ATOM 1133 N MET A 82 9.509 12.176 -2.052 1.00 24.23 N ATOM 1134 CA MET A 82 10.648 13.046 -2.320 1.00 42.43 C ATOM 1135 C MET A 82 10.637 14.257 -1.393 1.00 5.43 C ATOM 1136 O MET A 82 9.653 14.993 -1.330 1.00 60.13 O ATOM 1137 CB MET A 82 10.636 13.506 -3.779 1.00 4.22 C ATOM 1138 CG MET A 82 11.138 12.451 -4.751 1.00 65.35 C ATOM 1139 SD MET A 82 9.811 11.721 -5.730 1.00 10.11 S ATOM 1140 CE MET A 82 9.776 10.058 -5.064 1.00 24.30 C ATOM 0 H MET A 82 8.609 12.655 -2.027 1.00 24.23 H new ATOM 0 HA MET A 82 11.559 12.476 -2.135 1.00 42.43 H new ATOM 0 HB2 MET A 82 9.620 13.788 -4.054 1.00 4.22 H new ATOM 0 HB3 MET A 82 11.252 14.400 -3.875 1.00 4.22 H new ATOM 0 HG2 MET A 82 11.873 12.899 -5.419 1.00 65.35 H new ATOM 0 HG3 MET A 82 11.649 11.665 -4.196 1.00 65.35 H new ATOM 0 HE1 MET A 82 8.745 9.707 -5.016 1.00 24.30 H new ATOM 0 HE2 MET A 82 10.355 9.396 -5.708 1.00 24.30 H new ATOM 0 HE3 MET A 82 10.206 10.058 -4.063 1.00 24.30 H new ATOM 1148 N ASN A 83 11.736 14.457 -0.673 1.00 72.14 N ATOM 1149 CA ASN A 83 11.851 15.580 0.252 1.00 62.24 C ATOM 1150 C ASN A 83 12.358 16.827 -0.466 1.00 61.15 C ATOM 1151 O ASN A 83 12.748 16.768 -1.633 1.00 70.42 O ATOM 1152 CB ASN A 83 12.791 15.223 1.405 1.00 62.20 C ATOM 1153 CG ASN A 83 12.102 14.410 2.483 1.00 71.53 C ATOM 1154 OD1 ASN A 83 11.816 14.913 3.569 1.00 34.10 O ATOM 1155 ND2 ASN A 83 11.831 13.143 2.185 1.00 14.22 N ATOM 0 H ASN A 83 12.560 13.857 -0.712 1.00 72.14 H new ATOM 0 HA ASN A 83 10.860 15.792 0.653 1.00 62.24 H new ATOM 0 HB2 ASN A 83 13.640 14.661 1.017 1.00 62.20 H new ATOM 0 HB3 ASN A 83 13.188 16.139 1.843 1.00 62.20 H new ATOM 0 HD21 ASN A 83 11.368 12.546 2.870 1.00 14.22 H new ATOM 0 HD22 ASN A 83 12.086 12.768 1.271 1.00 14.22 H new ATOM 1161 N ARG A 84 12.352 17.952 0.238 1.00 13.41 N ATOM 1162 CA ARG A 84 12.811 19.213 -0.331 1.00 21.23 C ATOM 1163 C ARG A 84 14.326 19.210 -0.508 1.00 72.10 C ATOM 1164 O ARG A 84 14.874 20.016 -1.259 1.00 74.11 O ATOM 1165 CB ARG A 84 12.393 20.383 0.563 1.00 73.41 C ATOM 1166 CG ARG A 84 13.024 20.349 1.945 1.00 73.34 C ATOM 1167 CD ARG A 84 12.238 21.191 2.937 1.00 34.40 C ATOM 1168 NE ARG A 84 10.912 20.638 3.196 1.00 35.51 N ATOM 1169 CZ ARG A 84 10.688 19.628 4.028 1.00 14.43 C ATOM 1170 NH1 ARG A 84 11.696 19.066 4.681 1.00 61.22 N ATOM 1171 NH2 ARG A 84 9.453 19.179 4.213 1.00 32.22 N ATOM 0 H ARG A 84 12.034 18.017 1.205 1.00 13.41 H new ATOM 0 HA ARG A 84 12.348 19.330 -1.311 1.00 21.23 H new ATOM 0 HB2 ARG A 84 12.663 21.318 0.073 1.00 73.41 H new ATOM 0 HB3 ARG A 84 11.308 20.379 0.668 1.00 73.41 H new ATOM 0 HG2 ARG A 84 13.073 19.319 2.299 1.00 73.34 H new ATOM 0 HG3 ARG A 84 14.049 20.715 1.887 1.00 73.34 H new ATOM 0 HD2 ARG A 84 12.792 21.258 3.874 1.00 34.40 H new ATOM 0 HD3 ARG A 84 12.138 22.206 2.552 1.00 34.40 H new ATOM 0 HE ARG A 84 10.114 21.050 2.712 1.00 35.51 H new ATOM 0 HH11 ARG A 84 12.647 19.410 4.545 1.00 61.22 H new ATOM 0 HH12 ARG A 84 11.521 18.290 5.320 1.00 61.22 H new ATOM 0 HH21 ARG A 84 8.674 19.610 3.716 1.00 32.22 H new ATOM 0 HH22 ARG A 84 9.283 18.403 4.853 1.00 32.22 H new ATOM 1182 N ASN A 85 14.996 18.298 0.188 1.00 34.33 N ATOM 1183 CA ASN A 85 16.449 18.191 0.108 1.00 73.11 C ATOM 1184 C ASN A 85 16.877 17.589 -1.227 1.00 2.35 C ATOM 1185 O ASN A 85 18.022 17.744 -1.650 1.00 32.44 O ATOM 1186 CB ASN A 85 16.982 17.337 1.260 1.00 61.01 C ATOM 1187 CG ASN A 85 17.047 18.105 2.566 1.00 3.43 C ATOM 1188 OD1 ASN A 85 15.929 18.706 2.956 1.00 45.31 O flip ATOM 1189 ND2 ASN A 85 18.090 18.154 3.218 1.00 74.50 N flip ATOM 0 H ASN A 85 14.557 17.622 0.814 1.00 34.33 H new ATOM 0 HA ASN A 85 16.868 19.194 0.185 1.00 73.11 H new ATOM 0 HB2 ASN A 85 16.343 16.463 1.387 1.00 61.01 H new ATOM 0 HB3 ASN A 85 17.977 16.970 1.007 1.00 61.01 H new ATOM 0 HD21 ASN A 85 18.926 17.677 2.880 1.00 74.50 H new ATOM 0 HD22 ASN A 85 18.119 18.672 4.096 1.00 74.50 H new ATOM 1195 N GLY A 86 15.949 16.901 -1.885 1.00 74.20 N ATOM 1196 CA GLY A 86 16.249 16.288 -3.166 1.00 2.44 C ATOM 1197 C GLY A 86 16.300 14.774 -3.085 1.00 64.31 C ATOM 1198 O GLY A 86 16.210 14.087 -4.101 1.00 72.52 O ATOM 0 H GLY A 86 14.995 16.757 -1.554 1.00 74.20 H new ATOM 0 HA2 GLY A 86 15.494 16.585 -3.894 1.00 2.44 H new ATOM 0 HA3 GLY A 86 17.206 16.662 -3.529 1.00 2.44 H new ATOM 1202 N LYS A 87 16.447 14.253 -1.871 1.00 20.54 N ATOM 1203 CA LYS A 87 16.510 12.812 -1.660 1.00 44.10 C ATOM 1204 C LYS A 87 15.110 12.216 -1.550 1.00 31.21 C ATOM 1205 O LYS A 87 14.192 12.858 -1.041 1.00 65.33 O ATOM 1206 CB LYS A 87 17.311 12.496 -0.394 1.00 61.40 C ATOM 1207 CG LYS A 87 18.815 12.535 -0.601 1.00 63.13 C ATOM 1208 CD LYS A 87 19.367 13.940 -0.421 1.00 73.32 C ATOM 1209 CE LYS A 87 20.595 14.172 -1.287 1.00 50.30 C ATOM 1210 NZ LYS A 87 20.955 15.615 -1.364 1.00 22.21 N ATOM 0 H LYS A 87 16.525 14.808 -1.019 1.00 20.54 H new ATOM 0 HA LYS A 87 17.009 12.366 -2.520 1.00 44.10 H new ATOM 0 HB2 LYS A 87 17.041 13.210 0.384 1.00 61.40 H new ATOM 0 HB3 LYS A 87 17.028 11.508 -0.032 1.00 61.40 H new ATOM 0 HG2 LYS A 87 19.298 11.860 0.106 1.00 63.13 H new ATOM 0 HG3 LYS A 87 19.055 12.174 -1.601 1.00 63.13 H new ATOM 0 HD2 LYS A 87 18.598 14.669 -0.676 1.00 73.32 H new ATOM 0 HD3 LYS A 87 19.624 14.100 0.626 1.00 73.32 H new ATOM 0 HE2 LYS A 87 21.436 13.609 -0.883 1.00 50.30 H new ATOM 0 HE3 LYS A 87 20.409 13.790 -2.291 1.00 50.30 H new ATOM 0 HZ1 LYS A 87 21.797 15.731 -1.963 1.00 22.21 H new ATOM 0 HZ2 LYS A 87 20.162 16.149 -1.773 1.00 22.21 H new ATOM 0 HZ3 LYS A 87 21.158 15.974 -0.409 1.00 22.21 H new ATOM 1220 N GLU A 88 14.957 10.984 -2.028 1.00 13.10 N ATOM 1221 CA GLU A 88 13.668 10.303 -1.983 1.00 14.23 C ATOM 1222 C GLU A 88 13.658 9.233 -0.896 1.00 0.04 C ATOM 1223 O GLU A 88 14.672 8.582 -0.638 1.00 63.12 O ATOM 1224 CB GLU A 88 13.353 9.672 -3.340 1.00 30.20 C ATOM 1225 CG GLU A 88 13.990 8.306 -3.539 1.00 33.52 C ATOM 1226 CD GLU A 88 13.729 7.737 -4.920 1.00 22.14 C ATOM 1227 OE1 GLU A 88 12.909 8.323 -5.656 1.00 61.43 O ATOM 1228 OE2 GLU A 88 14.345 6.707 -5.263 1.00 30.20 O ATOM 0 H GLU A 88 15.708 10.438 -2.450 1.00 13.10 H new ATOM 0 HA GLU A 88 12.902 11.042 -1.748 1.00 14.23 H new ATOM 0 HB2 GLU A 88 12.272 9.578 -3.446 1.00 30.20 H new ATOM 0 HB3 GLU A 88 13.694 10.341 -4.130 1.00 30.20 H new ATOM 0 HG2 GLU A 88 15.065 8.384 -3.379 1.00 33.52 H new ATOM 0 HG3 GLU A 88 13.605 7.617 -2.787 1.00 33.52 H new ATOM 1233 N THR A 89 12.505 9.055 -0.259 1.00 62.32 N ATOM 1234 CA THR A 89 12.360 8.064 0.800 1.00 31.31 C ATOM 1235 C THR A 89 11.644 6.818 0.295 1.00 31.13 C ATOM 1236 O THR A 89 10.578 6.905 -0.315 1.00 72.14 O ATOM 1237 CB THR A 89 11.586 8.636 2.002 1.00 20.44 C ATOM 1238 OG1 THR A 89 11.879 10.030 2.157 1.00 62.24 O ATOM 1239 CG2 THR A 89 11.943 7.894 3.281 1.00 73.53 C ATOM 0 H THR A 89 11.657 9.585 -0.459 1.00 62.32 H new ATOM 0 HA THR A 89 13.367 7.795 1.120 1.00 31.31 H new ATOM 0 HB THR A 89 10.520 8.507 1.812 1.00 20.44 H new ATOM 0 HG1 THR A 89 11.127 10.562 1.823 1.00 62.24 H new ATOM 0 HG21 THR A 89 11.383 8.317 4.115 1.00 73.53 H new ATOM 0 HG22 THR A 89 11.691 6.839 3.172 1.00 73.53 H new ATOM 0 HG23 THR A 89 13.011 7.994 3.473 1.00 73.53 H new ATOM 1247 N LYS A 90 12.235 5.656 0.552 1.00 43.12 N ATOM 1248 CA LYS A 90 11.653 4.389 0.125 1.00 41.52 C ATOM 1249 C LYS A 90 11.040 3.646 1.308 1.00 51.13 C ATOM 1250 O LYS A 90 11.544 3.721 2.429 1.00 31.30 O ATOM 1251 CB LYS A 90 12.717 3.515 -0.544 1.00 25.25 C ATOM 1252 CG LYS A 90 13.490 4.230 -1.638 1.00 32.24 C ATOM 1253 CD LYS A 90 14.232 3.248 -2.528 1.00 62.10 C ATOM 1254 CE LYS A 90 13.274 2.455 -3.403 1.00 72.52 C ATOM 1255 NZ LYS A 90 12.724 3.282 -4.514 1.00 1.12 N ATOM 0 H LYS A 90 13.118 5.566 1.055 1.00 43.12 H new ATOM 0 HA LYS A 90 10.863 4.605 -0.595 1.00 41.52 H new ATOM 0 HB2 LYS A 90 13.417 3.165 0.214 1.00 25.25 H new ATOM 0 HB3 LYS A 90 12.237 2.632 -0.967 1.00 25.25 H new ATOM 0 HG2 LYS A 90 12.803 4.823 -2.242 1.00 32.24 H new ATOM 0 HG3 LYS A 90 14.200 4.924 -1.189 1.00 32.24 H new ATOM 0 HD2 LYS A 90 14.939 3.788 -3.158 1.00 62.10 H new ATOM 0 HD3 LYS A 90 14.814 2.564 -1.911 1.00 62.10 H new ATOM 0 HE2 LYS A 90 13.792 1.589 -3.816 1.00 72.52 H new ATOM 0 HE3 LYS A 90 12.455 2.075 -2.793 1.00 72.52 H new ATOM 0 HZ1 LYS A 90 12.076 2.706 -5.088 1.00 1.12 H new ATOM 0 HZ2 LYS A 90 12.208 4.095 -4.120 1.00 1.12 H new ATOM 0 HZ3 LYS A 90 13.504 3.624 -5.111 1.00 1.12 H new ATOM 1265 N SER A 91 9.951 2.928 1.050 1.00 54.12 N ATOM 1266 CA SER A 91 9.268 2.173 2.095 1.00 21.04 C ATOM 1267 C SER A 91 8.718 0.862 1.545 1.00 20.21 C ATOM 1268 O SER A 91 7.992 0.849 0.550 1.00 71.23 O ATOM 1269 CB SER A 91 8.133 3.006 2.695 1.00 62.12 C ATOM 1270 OG SER A 91 8.439 4.388 2.657 1.00 70.40 O ATOM 0 H SER A 91 9.523 2.853 0.127 1.00 54.12 H new ATOM 0 HA SER A 91 9.992 1.943 2.877 1.00 21.04 H new ATOM 0 HB2 SER A 91 7.211 2.819 2.145 1.00 62.12 H new ATOM 0 HB3 SER A 91 7.957 2.698 3.726 1.00 62.12 H new ATOM 0 HG SER A 91 7.767 4.857 2.120 1.00 70.40 H new ATOM 1275 N ASN A 92 9.067 -0.241 2.199 1.00 73.23 N ATOM 1276 CA ASN A 92 8.608 -1.558 1.776 1.00 5.53 C ATOM 1277 C ASN A 92 7.828 -2.247 2.892 1.00 52.11 C ATOM 1278 O ASN A 92 8.354 -2.476 3.981 1.00 45.44 O ATOM 1279 CB ASN A 92 9.797 -2.426 1.360 1.00 53.35 C ATOM 1280 CG ASN A 92 9.366 -3.754 0.769 1.00 50.03 C ATOM 1281 OD1 ASN A 92 9.577 -4.810 1.367 1.00 32.44 O ATOM 1282 ND2 ASN A 92 8.759 -3.708 -0.411 1.00 34.44 N ATOM 0 H ASN A 92 9.666 -0.248 3.024 1.00 73.23 H new ATOM 0 HA ASN A 92 7.945 -1.426 0.921 1.00 5.53 H new ATOM 0 HB2 ASN A 92 10.400 -1.886 0.630 1.00 53.35 H new ATOM 0 HB3 ASN A 92 10.432 -2.607 2.227 1.00 53.35 H new ATOM 0 HD21 ASN A 92 8.447 -4.570 -0.858 1.00 34.44 H new ATOM 0 HD22 ASN A 92 8.605 -2.811 -0.871 1.00 34.44 H new ATOM 1288 N TYR A 93 6.572 -2.574 2.613 1.00 31.22 N ATOM 1289 CA TYR A 93 5.718 -3.234 3.594 1.00 62.22 C ATOM 1290 C TYR A 93 5.046 -4.465 2.990 1.00 73.51 C ATOM 1291 O TYR A 93 4.417 -4.387 1.934 1.00 20.32 O ATOM 1292 CB TYR A 93 4.656 -2.264 4.113 1.00 15.34 C ATOM 1293 CG TYR A 93 5.135 -1.399 5.257 1.00 34.15 C ATOM 1294 CD1 TYR A 93 6.146 -0.464 5.071 1.00 33.11 C ATOM 1295 CD2 TYR A 93 4.576 -1.517 6.524 1.00 72.42 C ATOM 1296 CE1 TYR A 93 6.586 0.328 6.113 1.00 11.30 C ATOM 1297 CE2 TYR A 93 5.010 -0.727 7.572 1.00 24.10 C ATOM 1298 CZ TYR A 93 6.016 0.193 7.362 1.00 53.20 C ATOM 1299 OH TYR A 93 6.451 0.980 8.402 1.00 52.10 O ATOM 0 H TYR A 93 6.122 -2.393 1.716 1.00 31.22 H new ATOM 0 HA TYR A 93 6.345 -3.555 4.426 1.00 62.22 H new ATOM 0 HB2 TYR A 93 4.331 -1.622 3.294 1.00 15.34 H new ATOM 0 HB3 TYR A 93 3.784 -2.832 4.438 1.00 15.34 H new ATOM 0 HD1 TYR A 93 6.595 -0.355 4.095 1.00 33.11 H new ATOM 0 HD2 TYR A 93 3.790 -2.238 6.693 1.00 72.42 H new ATOM 0 HE1 TYR A 93 7.373 1.050 5.951 1.00 11.30 H new ATOM 0 HE2 TYR A 93 4.564 -0.830 8.550 1.00 24.10 H new ATOM 0 HH TYR A 93 5.946 0.760 9.212 1.00 52.10 H new ATOM 1308 N ARG A 94 5.185 -5.599 3.668 1.00 23.31 N ATOM 1309 CA ARG A 94 4.593 -6.846 3.200 1.00 60.32 C ATOM 1310 C ARG A 94 3.178 -7.015 3.747 1.00 71.00 C ATOM 1311 O ARG A 94 2.940 -6.856 4.943 1.00 2.14 O ATOM 1312 CB ARG A 94 5.458 -8.036 3.621 1.00 62.34 C ATOM 1313 CG ARG A 94 6.928 -7.689 3.788 1.00 14.12 C ATOM 1314 CD ARG A 94 7.553 -7.258 2.470 1.00 42.53 C ATOM 1315 NE ARG A 94 9.010 -7.187 2.554 1.00 71.12 N ATOM 1316 CZ ARG A 94 9.793 -8.253 2.669 1.00 71.03 C ATOM 1317 NH1 ARG A 94 9.263 -9.467 2.713 1.00 72.00 N ATOM 1318 NH2 ARG A 94 11.110 -8.107 2.739 1.00 63.05 N ATOM 0 H ARG A 94 5.702 -5.680 4.543 1.00 23.31 H new ATOM 0 HA ARG A 94 4.542 -6.809 2.112 1.00 60.32 H new ATOM 0 HB2 ARG A 94 5.078 -8.436 4.561 1.00 62.34 H new ATOM 0 HB3 ARG A 94 5.362 -8.826 2.876 1.00 62.34 H new ATOM 0 HG2 ARG A 94 7.033 -6.889 4.520 1.00 14.12 H new ATOM 0 HG3 ARG A 94 7.464 -8.553 4.181 1.00 14.12 H new ATOM 0 HD2 ARG A 94 7.269 -7.961 1.687 1.00 42.53 H new ATOM 0 HD3 ARG A 94 7.158 -6.283 2.183 1.00 42.53 H new ATOM 0 HE ARG A 94 9.450 -6.267 2.523 1.00 71.12 H new ATOM 0 HH11 ARG A 94 8.251 -9.584 2.658 1.00 72.00 H new ATOM 0 HH12 ARG A 94 9.867 -10.284 2.801 1.00 72.00 H new ATOM 0 HH21 ARG A 94 11.522 -7.175 2.705 1.00 63.05 H new ATOM 0 HH22 ARG A 94 11.710 -8.927 2.827 1.00 63.05 H new ATOM 1329 N VAL A 95 2.240 -7.338 2.861 1.00 75.53 N ATOM 1330 CA VAL A 95 0.850 -7.529 3.253 1.00 33.11 C ATOM 1331 C VAL A 95 0.369 -8.934 2.907 1.00 34.12 C ATOM 1332 O VAL A 95 0.550 -9.403 1.783 1.00 71.41 O ATOM 1333 CB VAL A 95 -0.072 -6.500 2.573 1.00 74.54 C ATOM 1334 CG1 VAL A 95 -1.532 -6.836 2.832 1.00 63.12 C ATOM 1335 CG2 VAL A 95 0.253 -5.094 3.053 1.00 12.31 C ATOM 0 H VAL A 95 2.419 -7.473 1.866 1.00 75.53 H new ATOM 0 HA VAL A 95 0.804 -7.388 4.333 1.00 33.11 H new ATOM 0 HB VAL A 95 0.099 -6.541 1.497 1.00 74.54 H new ATOM 0 HG11 VAL A 95 -2.168 -6.097 2.343 1.00 63.12 H new ATOM 0 HG12 VAL A 95 -1.754 -7.826 2.433 1.00 63.12 H new ATOM 0 HG13 VAL A 95 -1.723 -6.826 3.905 1.00 63.12 H new ATOM 0 HG21 VAL A 95 -0.408 -4.380 2.562 1.00 12.31 H new ATOM 0 HG22 VAL A 95 0.112 -5.036 4.132 1.00 12.31 H new ATOM 0 HG23 VAL A 95 1.288 -4.857 2.809 1.00 12.31 H new ATOM 1345 N ARG A 96 -0.245 -9.599 3.879 1.00 63.12 N ATOM 1346 CA ARG A 96 -0.752 -10.951 3.677 1.00 41.10 C ATOM 1347 C ARG A 96 -2.188 -11.073 4.180 1.00 41.34 C ATOM 1348 O ARG A 96 -2.607 -10.342 5.076 1.00 21.43 O ATOM 1349 CB ARG A 96 0.139 -11.966 4.395 1.00 75.03 C ATOM 1350 CG ARG A 96 1.255 -12.520 3.523 1.00 3.32 C ATOM 1351 CD ARG A 96 0.759 -13.652 2.638 1.00 73.11 C ATOM 1352 NE ARG A 96 1.859 -14.417 2.058 1.00 51.34 N ATOM 1353 CZ ARG A 96 2.624 -13.969 1.067 1.00 2.14 C ATOM 1354 NH1 ARG A 96 2.406 -12.769 0.549 1.00 75.54 N ATOM 1355 NH2 ARG A 96 3.607 -14.724 0.593 1.00 54.23 N ATOM 0 H ARG A 96 -0.404 -9.224 4.814 1.00 63.12 H new ATOM 0 HA ARG A 96 -0.740 -11.161 2.607 1.00 41.10 H new ATOM 0 HB2 ARG A 96 0.577 -11.494 5.275 1.00 75.03 H new ATOM 0 HB3 ARG A 96 -0.478 -12.792 4.750 1.00 75.03 H new ATOM 0 HG2 ARG A 96 1.663 -11.723 2.902 1.00 3.32 H new ATOM 0 HG3 ARG A 96 2.068 -12.879 4.154 1.00 3.32 H new ATOM 0 HD2 ARG A 96 0.124 -14.317 3.223 1.00 73.11 H new ATOM 0 HD3 ARG A 96 0.141 -13.243 1.839 1.00 73.11 H new ATOM 0 HE ARG A 96 2.051 -15.346 2.433 1.00 51.34 H new ATOM 0 HH11 ARG A 96 1.650 -12.187 0.910 1.00 75.54 H new ATOM 0 HH12 ARG A 96 2.994 -12.427 -0.211 1.00 75.54 H new ATOM 0 HH21 ARG A 96 3.776 -15.649 0.989 1.00 54.23 H new ATOM 0 HH22 ARG A 96 4.193 -14.380 -0.167 1.00 54.23 H new ATOM 1366 N VAL A 97 -2.936 -12.005 3.597 1.00 73.22 N ATOM 1367 CA VAL A 97 -4.323 -12.225 3.986 1.00 70.02 C ATOM 1368 C VAL A 97 -4.514 -13.615 4.582 1.00 64.14 C ATOM 1369 O VAL A 97 -3.554 -14.371 4.735 1.00 5.13 O ATOM 1370 CB VAL A 97 -5.275 -12.057 2.786 1.00 64.32 C ATOM 1371 CG1 VAL A 97 -5.138 -10.668 2.184 1.00 62.32 C ATOM 1372 CG2 VAL A 97 -5.008 -13.130 1.740 1.00 61.02 C ATOM 0 H VAL A 97 -2.604 -12.619 2.854 1.00 73.22 H new ATOM 0 HA VAL A 97 -4.563 -11.475 4.739 1.00 70.02 H new ATOM 0 HB VAL A 97 -6.300 -12.173 3.139 1.00 64.32 H new ATOM 0 HG11 VAL A 97 -5.818 -10.569 1.338 1.00 62.32 H new ATOM 0 HG12 VAL A 97 -5.384 -9.919 2.937 1.00 62.32 H new ATOM 0 HG13 VAL A 97 -4.113 -10.518 1.845 1.00 62.32 H new ATOM 0 HG21 VAL A 97 -5.689 -12.996 0.900 1.00 61.02 H new ATOM 0 HG22 VAL A 97 -3.979 -13.049 1.390 1.00 61.02 H new ATOM 0 HG23 VAL A 97 -5.164 -14.115 2.181 1.00 61.02 H new ATOM 1382 N TYR A 98 -5.756 -13.944 4.916 1.00 40.14 N ATOM 1383 CA TYR A 98 -6.072 -15.243 5.497 1.00 14.15 C ATOM 1384 C TYR A 98 -5.851 -16.362 4.485 1.00 21.42 C ATOM 1385 O TYR A 98 -4.807 -17.014 4.483 1.00 24.11 O ATOM 1386 CB TYR A 98 -7.520 -15.266 5.991 1.00 74.40 C ATOM 1387 CG TYR A 98 -7.979 -16.627 6.461 1.00 65.41 C ATOM 1388 CD1 TYR A 98 -7.196 -17.388 7.320 1.00 20.34 C ATOM 1389 CD2 TYR A 98 -9.196 -17.154 6.044 1.00 60.40 C ATOM 1390 CE1 TYR A 98 -7.612 -18.633 7.750 1.00 50.52 C ATOM 1391 CE2 TYR A 98 -9.619 -18.397 6.470 1.00 23.14 C ATOM 1392 CZ TYR A 98 -8.824 -19.134 7.322 1.00 12.13 C ATOM 1393 OH TYR A 98 -9.242 -20.374 7.751 1.00 75.21 O ATOM 0 H TYR A 98 -6.561 -13.329 4.794 1.00 40.14 H new ATOM 0 HA TYR A 98 -5.404 -15.406 6.342 1.00 14.15 H new ATOM 0 HB2 TYR A 98 -7.627 -14.554 6.809 1.00 74.40 H new ATOM 0 HB3 TYR A 98 -8.174 -14.929 5.187 1.00 74.40 H new ATOM 0 HD1 TYR A 98 -6.246 -17.000 7.657 1.00 20.34 H new ATOM 0 HD2 TYR A 98 -9.821 -16.581 5.375 1.00 60.40 H new ATOM 0 HE1 TYR A 98 -6.991 -19.212 8.418 1.00 50.52 H new ATOM 0 HE2 TYR A 98 -10.568 -18.790 6.137 1.00 23.14 H new ATOM 0 HH TYR A 98 -10.117 -20.578 7.359 1.00 75.21 H new ATOM 1402 N GLN A 99 -6.841 -16.577 3.625 1.00 54.12 N ATOM 1403 CA GLN A 99 -6.755 -17.616 2.606 1.00 5.12 C ATOM 1404 C GLN A 99 -5.558 -17.385 1.691 1.00 1.41 C ATOM 1405 O GLN A 99 -5.185 -16.244 1.417 1.00 1.45 O ATOM 1406 CB GLN A 99 -8.043 -17.659 1.780 1.00 4.53 C ATOM 1407 CG GLN A 99 -8.469 -19.066 1.390 1.00 0.44 C ATOM 1408 CD GLN A 99 -8.584 -19.992 2.585 1.00 71.32 C ATOM 1409 OE1 GLN A 99 -9.191 -19.503 3.660 1.00 32.24 O flip ATOM 1410 NE2 GLN A 99 -8.131 -21.138 2.542 1.00 74.52 N flip ATOM 0 H GLN A 99 -7.712 -16.046 3.614 1.00 54.12 H new ATOM 0 HA GLN A 99 -6.623 -18.573 3.111 1.00 5.12 H new ATOM 0 HB2 GLN A 99 -8.846 -17.190 2.349 1.00 4.53 H new ATOM 0 HB3 GLN A 99 -7.905 -17.066 0.876 1.00 4.53 H new ATOM 0 HG2 GLN A 99 -9.429 -19.022 0.876 1.00 0.44 H new ATOM 0 HG3 GLN A 99 -7.748 -19.478 0.684 1.00 0.44 H new ATOM 0 HE21 GLN A 99 -7.672 -21.473 1.695 1.00 74.52 H new ATOM 0 HE22 GLN A 99 -8.215 -21.751 3.353 1.00 74.52 H new ATOM 1417 N ILE A 100 -4.960 -18.474 1.221 1.00 41.03 N ATOM 1418 CA ILE A 100 -3.804 -18.388 0.335 1.00 61.11 C ATOM 1419 C ILE A 100 -4.078 -19.085 -0.993 1.00 54.41 C ATOM 1420 O ILE A 100 -4.966 -19.929 -1.108 1.00 55.15 O ATOM 1421 CB ILE A 100 -2.552 -19.011 0.981 1.00 11.03 C ATOM 1422 CG1 ILE A 100 -2.951 -19.924 2.142 1.00 30.54 C ATOM 1423 CG2 ILE A 100 -1.606 -17.920 1.460 1.00 12.20 C ATOM 1424 CD1 ILE A 100 -1.783 -20.655 2.765 1.00 53.01 C ATOM 0 H ILE A 100 -5.256 -19.426 1.438 1.00 41.03 H new ATOM 0 HA ILE A 100 -3.621 -17.329 0.156 1.00 61.11 H new ATOM 0 HB ILE A 100 -2.035 -19.611 0.232 1.00 11.03 H new ATOM 0 HG12 ILE A 100 -3.447 -19.328 2.908 1.00 30.54 H new ATOM 0 HG13 ILE A 100 -3.678 -20.654 1.786 1.00 30.54 H new ATOM 0 HG21 ILE A 100 -0.726 -18.375 1.914 1.00 12.20 H new ATOM 0 HG22 ILE A 100 -1.301 -17.306 0.613 1.00 12.20 H new ATOM 0 HG23 ILE A 100 -2.113 -17.296 2.196 1.00 12.20 H new ATOM 0 HD11 ILE A 100 -2.140 -21.283 3.581 1.00 53.01 H new ATOM 0 HD12 ILE A 100 -1.300 -21.278 2.012 1.00 53.01 H new ATOM 0 HD13 ILE A 100 -1.065 -19.931 3.152 1.00 53.01 H new ATOM 1435 N PRO A 101 -3.294 -18.726 -2.022 1.00 70.12 N ATOM 1436 CA PRO A 101 -3.431 -19.307 -3.361 1.00 0.44 C ATOM 1437 C PRO A 101 -2.990 -20.766 -3.406 1.00 70.44 C ATOM 1438 O PRO A 101 -2.558 -21.326 -2.401 1.00 62.25 O ATOM 1439 CB PRO A 101 -2.504 -18.441 -4.218 1.00 5.12 C ATOM 1440 CG PRO A 101 -1.495 -17.905 -3.263 1.00 51.34 C ATOM 1441 CD PRO A 101 -2.215 -17.726 -1.956 1.00 34.20 C ATOM 0 HA PRO A 101 -4.467 -19.312 -3.701 1.00 0.44 H new ATOM 0 HB2 PRO A 101 -2.031 -19.027 -5.006 1.00 5.12 H new ATOM 0 HB3 PRO A 101 -3.054 -17.636 -4.706 1.00 5.12 H new ATOM 0 HG2 PRO A 101 -0.656 -18.593 -3.155 1.00 51.34 H new ATOM 0 HG3 PRO A 101 -1.088 -16.958 -3.617 1.00 51.34 H new ATOM 0 HD2 PRO A 101 -1.555 -17.902 -1.106 1.00 34.20 H new ATOM 0 HD3 PRO A 101 -2.609 -16.715 -1.849 1.00 34.20 H new