USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 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 26 MET CE :methyl 162:sc= -0.0257 (180deg=-0.335) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 48 THR OG1 : rot -170:sc= 1.25 USER MOD Set 2.2: A 50 THR OG1 : rot -13:sc= 0.282 USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0156 (180deg=0) USER MOD Single : A 2 SER OG : rot 3:sc= 0.441 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0675 USER MOD Single : A 5 SER OG : rot 33:sc= 0.424 USER MOD Single : A 6 SER OG : rot 52:sc= 0.447 USER MOD Single : A 8 MET CE :methyl 180:sc= -0.0498 (180deg=-0.0498) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= 0.0341 (180deg=-0.794) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.2) USER MOD Single : A 27 HIS : no HD1:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A 28 CYS SG : rot -23:sc= -1.8! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.557 F(o=-1.3,f=-0.56) USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= -0.0278 (180deg=-0.271) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 37 GLN : amide:sc= -11.9! C(o=-12!,f=-23!) USER MOD Single : A 42 GLN : amide:sc= -0.779 X(o=-0.78,f=-0.55) USER MOD Single : A 46 MET CE :methyl -126:sc= -1.39 (180deg=-3.36!) USER MOD Single : A 57 TYR OH : rot -172:sc= -0.977 USER MOD Single : A 66 ASN : amide:sc= -2.55 X(o=-2.6,f=-2.7!) USER MOD Single : A 69 CYS SG : rot 58:sc= 0.447 USER MOD Single : A 76 ASN : amide:sc= -0.708 K(o=-0.71,f=-4!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -167:sc= -2.88 (180deg=-3.31!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.382 14.915 -20.849 1.00 0.00 N ATOM 2 CA GLY A 1 -15.720 13.931 -20.014 1.00 0.00 C ATOM 3 C GLY A 1 -16.621 12.761 -19.671 1.00 0.00 C ATOM 4 O GLY A 1 -17.434 12.334 -20.490 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.728 15.238 -21.590 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.221 14.488 -21.290 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.673 15.726 -20.266 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.831 13.563 -20.527 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.383 14.408 -19.094 1.00 0.00 H new ATOM 8 N SER A 2 -16.475 12.240 -18.457 1.00 0.00 N ATOM 9 CA SER A 2 -17.278 11.109 -18.009 1.00 0.00 C ATOM 10 C SER A 2 -17.415 11.108 -16.489 1.00 0.00 C ATOM 11 O SER A 2 -16.816 11.933 -15.800 1.00 0.00 O ATOM 12 CB SER A 2 -16.652 9.794 -18.477 1.00 0.00 C ATOM 13 OG SER A 2 -16.701 9.679 -19.888 1.00 0.00 O ATOM 0 H SER A 2 -15.808 12.583 -17.766 1.00 0.00 H new ATOM 0 HA SER A 2 -18.272 11.205 -18.446 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.617 9.741 -18.141 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.179 8.955 -18.022 1.00 0.00 H new ATOM 0 HG SER A 2 -17.089 10.494 -20.269 1.00 0.00 H new ATOM 19 N SER A 3 -18.210 10.175 -15.974 1.00 0.00 N ATOM 20 CA SER A 3 -18.429 10.067 -14.536 1.00 0.00 C ATOM 21 C SER A 3 -17.102 9.994 -13.788 1.00 0.00 C ATOM 22 O SER A 3 -16.925 10.633 -12.752 1.00 0.00 O ATOM 23 CB SER A 3 -19.276 8.833 -14.219 1.00 0.00 C ATOM 24 OG SER A 3 -18.527 7.642 -14.396 1.00 0.00 O ATOM 0 H SER A 3 -18.713 9.484 -16.531 1.00 0.00 H new ATOM 0 HA SER A 3 -18.962 10.959 -14.207 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.638 8.890 -13.192 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.153 8.814 -14.865 1.00 0.00 H new ATOM 0 HG SER A 3 -19.089 6.868 -14.186 1.00 0.00 H new ATOM 30 N GLY A 4 -16.171 9.208 -14.321 1.00 0.00 N ATOM 31 CA GLY A 4 -14.872 9.065 -13.691 1.00 0.00 C ATOM 32 C GLY A 4 -14.591 7.639 -13.259 1.00 0.00 C ATOM 33 O GLY A 4 -14.778 7.289 -12.094 1.00 0.00 O ATOM 0 H GLY A 4 -16.294 8.668 -15.178 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.097 9.390 -14.385 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.818 9.722 -12.823 1.00 0.00 H new ATOM 37 N SER A 5 -14.143 6.814 -14.200 1.00 0.00 N ATOM 38 CA SER A 5 -13.841 5.417 -13.911 1.00 0.00 C ATOM 39 C SER A 5 -12.520 5.291 -13.159 1.00 0.00 C ATOM 40 O SER A 5 -11.480 5.752 -13.628 1.00 0.00 O ATOM 41 CB SER A 5 -13.783 4.608 -15.208 1.00 0.00 C ATOM 42 OG SER A 5 -12.758 5.086 -16.062 1.00 0.00 O ATOM 0 H SER A 5 -13.981 7.089 -15.169 1.00 0.00 H new ATOM 0 HA SER A 5 -14.637 5.021 -13.280 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.608 3.557 -14.977 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.744 4.666 -15.720 1.00 0.00 H new ATOM 0 HG SER A 5 -12.013 5.423 -15.522 1.00 0.00 H new ATOM 48 N SER A 6 -12.570 4.662 -11.989 1.00 0.00 N ATOM 49 CA SER A 6 -11.379 4.477 -11.169 1.00 0.00 C ATOM 50 C SER A 6 -10.879 3.038 -11.253 1.00 0.00 C ATOM 51 O SER A 6 -11.174 2.215 -10.387 1.00 0.00 O ATOM 52 CB SER A 6 -11.675 4.843 -9.713 1.00 0.00 C ATOM 53 OG SER A 6 -12.783 4.112 -9.219 1.00 0.00 O ATOM 0 H SER A 6 -13.423 4.272 -11.588 1.00 0.00 H new ATOM 0 HA SER A 6 -10.599 5.136 -11.550 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.798 4.640 -9.098 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.877 5.911 -9.637 1.00 0.00 H new ATOM 0 HG SER A 6 -12.645 3.156 -9.386 1.00 0.00 H new ATOM 59 N GLY A 7 -10.120 2.742 -12.303 1.00 0.00 N ATOM 60 CA GLY A 7 -9.591 1.402 -12.482 1.00 0.00 C ATOM 61 C GLY A 7 -8.775 0.937 -11.292 1.00 0.00 C ATOM 62 O GLY A 7 -9.036 -0.126 -10.730 1.00 0.00 O ATOM 0 H GLY A 7 -9.862 3.406 -13.033 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.415 0.708 -12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.969 1.377 -13.377 1.00 0.00 H new ATOM 66 N MET A 8 -7.784 1.735 -10.908 1.00 0.00 N ATOM 67 CA MET A 8 -6.927 1.398 -9.778 1.00 0.00 C ATOM 68 C MET A 8 -7.760 1.016 -8.559 1.00 0.00 C ATOM 69 O MET A 8 -7.870 -0.162 -8.216 1.00 0.00 O ATOM 70 CB MET A 8 -6.012 2.576 -9.435 1.00 0.00 C ATOM 71 CG MET A 8 -4.657 2.513 -10.122 1.00 0.00 C ATOM 72 SD MET A 8 -3.866 4.128 -10.246 1.00 0.00 S ATOM 73 CE MET A 8 -2.798 4.093 -8.808 1.00 0.00 C ATOM 0 H MET A 8 -7.555 2.619 -11.363 1.00 0.00 H new ATOM 0 HA MET A 8 -6.315 0.542 -10.061 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.509 3.505 -9.714 1.00 0.00 H new ATOM 0 HB3 MET A 8 -5.862 2.607 -8.356 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.006 1.835 -9.571 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.780 2.095 -11.121 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.240 5.027 -8.747 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.402 3.971 -7.909 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.101 3.259 -8.892 1.00 0.00 H new ATOM 83 N ILE A 9 -8.345 2.017 -7.909 1.00 0.00 N ATOM 84 CA ILE A 9 -9.169 1.783 -6.730 1.00 0.00 C ATOM 85 C ILE A 9 -10.188 0.677 -6.981 1.00 0.00 C ATOM 86 O ILE A 9 -10.416 -0.176 -6.124 1.00 0.00 O ATOM 87 CB ILE A 9 -9.912 3.062 -6.300 1.00 0.00 C ATOM 88 CG1 ILE A 9 -8.912 4.144 -5.887 1.00 0.00 C ATOM 89 CG2 ILE A 9 -10.874 2.759 -5.161 1.00 0.00 C ATOM 90 CD1 ILE A 9 -8.362 4.936 -7.052 1.00 0.00 C ATOM 0 H ILE A 9 -8.263 2.997 -8.179 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.495 1.477 -5.930 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.489 3.431 -7.148 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.396 4.828 -5.190 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.084 3.677 -5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.391 3.673 -4.869 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.603 2.018 -5.488 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.318 2.369 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.660 5.684 -6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.848 4.263 -7.739 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.181 5.432 -7.574 1.00 0.00 H new ATOM 102 N ALA A 10 -10.796 0.697 -8.162 1.00 0.00 N ATOM 103 CA ALA A 10 -11.788 -0.306 -8.528 1.00 0.00 C ATOM 104 C ALA A 10 -11.262 -1.715 -8.275 1.00 0.00 C ATOM 105 O ALA A 10 -11.861 -2.487 -7.527 1.00 0.00 O ATOM 106 CB ALA A 10 -12.190 -0.144 -9.986 1.00 0.00 C ATOM 0 H ALA A 10 -10.619 1.397 -8.882 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.668 -0.157 -7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.931 -0.900 -10.245 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.615 0.848 -10.138 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.312 -0.264 -10.621 1.00 0.00 H new ATOM 112 N ALA A 11 -10.139 -2.044 -8.905 1.00 0.00 N ATOM 113 CA ALA A 11 -9.532 -3.360 -8.748 1.00 0.00 C ATOM 114 C ALA A 11 -9.111 -3.601 -7.302 1.00 0.00 C ATOM 115 O ALA A 11 -9.510 -4.589 -6.685 1.00 0.00 O ATOM 116 CB ALA A 11 -8.337 -3.505 -9.679 1.00 0.00 C ATOM 0 H ALA A 11 -9.631 -1.417 -9.529 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.277 -4.110 -9.012 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.894 -4.493 -9.551 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.664 -3.385 -10.712 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.596 -2.741 -9.442 1.00 0.00 H new ATOM 122 N TYR A 12 -8.302 -2.693 -6.767 1.00 0.00 N ATOM 123 CA TYR A 12 -7.825 -2.809 -5.395 1.00 0.00 C ATOM 124 C TYR A 12 -8.984 -3.053 -4.433 1.00 0.00 C ATOM 125 O TYR A 12 -8.831 -3.737 -3.422 1.00 0.00 O ATOM 126 CB TYR A 12 -7.068 -1.543 -4.987 1.00 0.00 C ATOM 127 CG TYR A 12 -5.775 -1.341 -5.744 1.00 0.00 C ATOM 128 CD1 TYR A 12 -4.860 -2.377 -5.886 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.469 -0.113 -6.319 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.677 -2.196 -6.576 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.289 0.077 -7.012 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.396 -0.968 -7.137 1.00 0.00 C ATOM 133 OH TYR A 12 -2.220 -0.784 -7.827 1.00 0.00 O ATOM 0 H TYR A 12 -7.963 -1.869 -7.263 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.148 -3.662 -5.344 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.711 -0.678 -5.146 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -6.851 -1.587 -3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.077 -3.341 -5.449 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.166 0.707 -6.222 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.976 -3.012 -6.676 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.067 1.037 -7.453 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.177 0.137 -8.160 1.00 0.00 H new ATOM 143 N GLU A 13 -10.143 -2.490 -4.759 1.00 0.00 N ATOM 144 CA GLU A 13 -11.329 -2.646 -3.924 1.00 0.00 C ATOM 145 C GLU A 13 -11.955 -4.024 -4.121 1.00 0.00 C ATOM 146 O GLU A 13 -12.207 -4.746 -3.158 1.00 0.00 O ATOM 147 CB GLU A 13 -12.354 -1.557 -4.246 1.00 0.00 C ATOM 148 CG GLU A 13 -13.299 -1.252 -3.097 1.00 0.00 C ATOM 149 CD GLU A 13 -12.735 -0.224 -2.135 1.00 0.00 C ATOM 150 OE1 GLU A 13 -11.934 -0.610 -1.258 1.00 0.00 O ATOM 151 OE2 GLU A 13 -13.095 0.965 -2.259 1.00 0.00 O ATOM 0 H GLU A 13 -10.286 -1.922 -5.594 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.024 -2.550 -2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.827 -0.644 -4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.938 -1.864 -5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.246 -0.889 -3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.514 -2.172 -2.554 1.00 0.00 H new ATOM 158 N ASN A 14 -12.203 -4.380 -5.377 1.00 0.00 N ATOM 159 CA ASN A 14 -12.800 -5.671 -5.702 1.00 0.00 C ATOM 160 C ASN A 14 -11.917 -6.816 -5.218 1.00 0.00 C ATOM 161 O ASN A 14 -12.354 -7.666 -4.441 1.00 0.00 O ATOM 162 CB ASN A 14 -13.025 -5.787 -7.211 1.00 0.00 C ATOM 163 CG ASN A 14 -14.108 -6.790 -7.558 1.00 0.00 C ATOM 164 OD1 ASN A 14 -13.823 -7.883 -8.048 1.00 0.00 O ATOM 165 ND2 ASN A 14 -15.359 -6.422 -7.306 1.00 0.00 N ATOM 0 H ASN A 14 -12.000 -3.793 -6.186 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.761 -5.737 -5.192 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -13.296 -4.810 -7.611 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.093 -6.081 -7.693 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -16.130 -7.055 -7.519 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -15.549 -5.506 -6.899 1.00 0.00 H new ATOM 172 N SER A 15 -10.672 -6.833 -5.683 1.00 0.00 N ATOM 173 CA SER A 15 -9.727 -7.876 -5.301 1.00 0.00 C ATOM 174 C SER A 15 -9.743 -8.097 -3.791 1.00 0.00 C ATOM 175 O SER A 15 -10.417 -7.377 -3.054 1.00 0.00 O ATOM 176 CB SER A 15 -8.315 -7.507 -5.758 1.00 0.00 C ATOM 177 OG SER A 15 -7.525 -8.666 -5.963 1.00 0.00 O ATOM 0 H SER A 15 -10.294 -6.136 -6.325 1.00 0.00 H new ATOM 0 HA SER A 15 -10.029 -8.802 -5.790 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.368 -6.931 -6.682 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.843 -6.869 -5.011 1.00 0.00 H new ATOM 0 HG SER A 15 -6.628 -8.403 -6.256 1.00 0.00 H new ATOM 183 N LYS A 16 -8.996 -9.098 -3.339 1.00 0.00 N ATOM 184 CA LYS A 16 -8.922 -9.416 -1.918 1.00 0.00 C ATOM 185 C LYS A 16 -7.472 -9.483 -1.450 1.00 0.00 C ATOM 186 O LYS A 16 -6.562 -9.707 -2.249 1.00 0.00 O ATOM 187 CB LYS A 16 -9.622 -10.747 -1.634 1.00 0.00 C ATOM 188 CG LYS A 16 -9.310 -11.828 -2.655 1.00 0.00 C ATOM 189 CD LYS A 16 -8.023 -12.560 -2.315 1.00 0.00 C ATOM 190 CE LYS A 16 -8.284 -13.761 -1.418 1.00 0.00 C ATOM 191 NZ LYS A 16 -8.397 -13.369 0.014 1.00 0.00 N ATOM 0 H LYS A 16 -8.433 -9.703 -3.936 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.427 -8.622 -1.368 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.329 -11.098 -0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.699 -10.583 -1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.135 -12.540 -2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.225 -11.381 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.537 -12.889 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.335 -11.876 -1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.203 -14.256 -1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.476 -14.484 -1.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.185 -14.190 0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.721 -12.605 0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.363 -13.037 0.208 1.00 0.00 H new ATOM 205 N TRP A 17 -7.264 -9.288 -0.153 1.00 0.00 N ATOM 206 CA TRP A 17 -5.923 -9.328 0.420 1.00 0.00 C ATOM 207 C TRP A 17 -5.230 -10.646 0.094 1.00 0.00 C ATOM 208 O TRP A 17 -5.833 -11.715 0.193 1.00 0.00 O ATOM 209 CB TRP A 17 -5.989 -9.134 1.936 1.00 0.00 C ATOM 210 CG TRP A 17 -4.650 -9.222 2.605 1.00 0.00 C ATOM 211 CD1 TRP A 17 -3.824 -8.183 2.925 1.00 0.00 C ATOM 212 CD2 TRP A 17 -3.983 -10.414 3.032 1.00 0.00 C ATOM 213 NE1 TRP A 17 -2.683 -8.657 3.526 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.756 -10.023 3.604 1.00 0.00 C ATOM 215 CE3 TRP A 17 -4.302 -11.774 2.989 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.852 -10.943 4.127 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -3.403 -12.686 3.508 1.00 0.00 C ATOM 218 CH2 TRP A 17 -2.190 -12.268 4.072 1.00 0.00 C ATOM 0 H TRP A 17 -8.006 -9.101 0.522 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.343 -8.516 -0.019 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.432 -8.162 2.152 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.651 -9.887 2.363 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.036 -7.141 2.734 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.907 -8.085 3.860 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -5.235 -12.106 2.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.916 -10.622 4.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.639 -13.739 3.479 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.509 -13.005 4.471 1.00 0.00 H new ATOM 229 N GLU A 18 -3.962 -10.563 -0.296 1.00 0.00 N ATOM 230 CA GLU A 18 -3.189 -11.751 -0.637 1.00 0.00 C ATOM 231 C GLU A 18 -1.863 -11.773 0.117 1.00 0.00 C ATOM 232 O GLU A 18 -1.194 -10.752 0.277 1.00 0.00 O ATOM 233 CB GLU A 18 -2.931 -11.803 -2.145 1.00 0.00 C ATOM 234 CG GLU A 18 -2.075 -12.982 -2.576 1.00 0.00 C ATOM 235 CD GLU A 18 -2.898 -14.215 -2.896 1.00 0.00 C ATOM 236 OE1 GLU A 18 -4.005 -14.353 -2.334 1.00 0.00 O ATOM 237 OE2 GLU A 18 -2.435 -15.042 -3.709 1.00 0.00 O ATOM 0 H GLU A 18 -3.449 -9.686 -0.384 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.769 -12.626 -0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.887 -11.849 -2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.443 -10.879 -2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.492 -12.701 -3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.365 -13.219 -1.784 1.00 0.00 H new ATOM 244 N PRO A 19 -1.474 -12.965 0.594 1.00 0.00 N ATOM 245 CA PRO A 19 -0.226 -13.149 1.341 1.00 0.00 C ATOM 246 C PRO A 19 1.007 -12.991 0.457 1.00 0.00 C ATOM 247 O PRO A 19 1.395 -13.916 -0.256 1.00 0.00 O ATOM 248 CB PRO A 19 -0.331 -14.586 1.858 1.00 0.00 C ATOM 249 CG PRO A 19 -1.242 -15.269 0.898 1.00 0.00 C ATOM 250 CD PRO A 19 -2.222 -14.224 0.442 1.00 0.00 C ATOM 0 HA PRO A 19 -0.109 -12.405 2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.646 -15.068 1.888 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.731 -14.614 2.871 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.685 -15.676 0.054 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.756 -16.104 1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.530 -14.386 -0.591 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.127 -14.230 1.050 1.00 0.00 H new ATOM 258 N VAL A 20 1.619 -11.812 0.509 1.00 0.00 N ATOM 259 CA VAL A 20 2.809 -11.533 -0.286 1.00 0.00 C ATOM 260 C VAL A 20 3.925 -10.957 0.578 1.00 0.00 C ATOM 261 O VAL A 20 3.691 -10.079 1.410 1.00 0.00 O ATOM 262 CB VAL A 20 2.501 -10.549 -1.431 1.00 0.00 C ATOM 263 CG1 VAL A 20 1.626 -9.409 -0.934 1.00 0.00 C ATOM 264 CG2 VAL A 20 3.791 -10.016 -2.036 1.00 0.00 C ATOM 0 H VAL A 20 1.310 -11.035 1.093 1.00 0.00 H new ATOM 0 HA VAL A 20 3.136 -12.482 -0.710 1.00 0.00 H new ATOM 0 HB VAL A 20 1.955 -11.083 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.419 -8.724 -1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.688 -9.811 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.143 -8.874 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.555 -9.323 -2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.366 -9.498 -1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.378 -10.846 -2.430 1.00 0.00 H new ATOM 274 N LYS A 21 5.139 -11.456 0.377 1.00 0.00 N ATOM 275 CA LYS A 21 6.294 -10.991 1.136 1.00 0.00 C ATOM 276 C LYS A 21 6.732 -9.607 0.667 1.00 0.00 C ATOM 277 O LYS A 21 7.143 -9.432 -0.480 1.00 0.00 O ATOM 278 CB LYS A 21 7.454 -11.980 0.996 1.00 0.00 C ATOM 279 CG LYS A 21 8.666 -11.618 1.837 1.00 0.00 C ATOM 280 CD LYS A 21 8.390 -11.798 3.320 1.00 0.00 C ATOM 281 CE LYS A 21 8.447 -13.263 3.723 1.00 0.00 C ATOM 282 NZ LYS A 21 7.972 -13.473 5.119 1.00 0.00 N ATOM 0 H LYS A 21 5.349 -12.184 -0.306 1.00 0.00 H new ATOM 0 HA LYS A 21 6.006 -10.925 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.109 -12.974 1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.751 -12.033 -0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.512 -12.241 1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.950 -10.584 1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.120 -11.232 3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.408 -11.391 3.560 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.836 -13.852 3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.470 -13.626 3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.026 -14.484 5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.571 -12.931 5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.987 -13.150 5.203 1.00 0.00 H new ATOM 296 N TRP A 22 6.643 -8.630 1.561 1.00 0.00 N ATOM 297 CA TRP A 22 7.032 -7.261 1.238 1.00 0.00 C ATOM 298 C TRP A 22 8.537 -7.072 1.394 1.00 0.00 C ATOM 299 O TRP A 22 9.099 -7.348 2.454 1.00 0.00 O ATOM 300 CB TRP A 22 6.285 -6.272 2.135 1.00 0.00 C ATOM 301 CG TRP A 22 4.825 -6.166 1.815 1.00 0.00 C ATOM 302 CD1 TRP A 22 3.782 -6.543 2.611 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.247 -5.650 0.611 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.590 -6.293 1.975 1.00 0.00 N ATOM 305 CE2 TRP A 22 2.848 -5.744 0.747 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.775 -5.116 -0.568 1.00 0.00 C ATOM 307 CZ2 TRP A 22 1.974 -5.325 -0.252 1.00 0.00 C ATOM 308 CZ3 TRP A 22 3.905 -4.700 -1.558 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.518 -4.806 -1.396 1.00 0.00 C ATOM 0 H TRP A 22 6.305 -8.759 2.515 1.00 0.00 H new ATOM 0 HA TRP A 22 6.767 -7.069 0.198 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.400 -6.577 3.175 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.743 -5.288 2.039 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.880 -6.975 3.596 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.663 -6.485 2.356 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.843 -5.030 -0.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.904 -5.406 -0.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.302 -4.286 -2.473 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.865 -4.472 -2.189 1.00 0.00 H new ATOM 320 N GLU A 23 9.183 -6.600 0.333 1.00 0.00 N ATOM 321 CA GLU A 23 10.623 -6.375 0.354 1.00 0.00 C ATOM 322 C GLU A 23 10.943 -4.886 0.247 1.00 0.00 C ATOM 323 O GLU A 23 10.168 -4.113 -0.314 1.00 0.00 O ATOM 324 CB GLU A 23 11.298 -7.136 -0.789 1.00 0.00 C ATOM 325 CG GLU A 23 11.001 -8.626 -0.787 1.00 0.00 C ATOM 326 CD GLU A 23 12.056 -9.432 -1.519 1.00 0.00 C ATOM 327 OE1 GLU A 23 13.127 -9.684 -0.927 1.00 0.00 O ATOM 328 OE2 GLU A 23 11.811 -9.811 -2.683 1.00 0.00 O ATOM 0 H GLU A 23 8.732 -6.366 -0.552 1.00 0.00 H new ATOM 0 HA GLU A 23 11.008 -6.745 1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.974 -6.711 -1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.376 -6.989 -0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.930 -8.977 0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.030 -8.800 -1.251 1.00 0.00 H new ATOM 335 N ASN A 24 12.090 -4.493 0.791 1.00 0.00 N ATOM 336 CA ASN A 24 12.513 -3.098 0.758 1.00 0.00 C ATOM 337 C ASN A 24 12.714 -2.623 -0.678 1.00 0.00 C ATOM 338 O ASN A 24 13.156 -3.386 -1.538 1.00 0.00 O ATOM 339 CB ASN A 24 13.808 -2.916 1.553 1.00 0.00 C ATOM 340 CG ASN A 24 13.763 -3.613 2.899 1.00 0.00 C ATOM 341 OD1 ASN A 24 14.359 -4.675 3.081 1.00 0.00 O ATOM 342 ND2 ASN A 24 13.052 -3.018 3.850 1.00 0.00 N ATOM 0 H ASN A 24 12.743 -5.121 1.260 1.00 0.00 H new ATOM 0 HA ASN A 24 11.727 -2.496 1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.645 -3.305 0.973 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.992 -1.852 1.704 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.984 -3.441 4.776 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.574 -2.138 3.655 1.00 0.00 H new ATOM 349 N ASP A 25 12.387 -1.361 -0.930 1.00 0.00 N ATOM 350 CA ASP A 25 12.533 -0.784 -2.261 1.00 0.00 C ATOM 351 C ASP A 25 11.494 -1.359 -3.219 1.00 0.00 C ATOM 352 O ASP A 25 11.809 -1.696 -4.360 1.00 0.00 O ATOM 353 CB ASP A 25 13.940 -1.041 -2.800 1.00 0.00 C ATOM 354 CG ASP A 25 15.016 -0.753 -1.771 1.00 0.00 C ATOM 355 OD1 ASP A 25 15.139 0.417 -1.353 1.00 0.00 O ATOM 356 OD2 ASP A 25 15.736 -1.698 -1.385 1.00 0.00 O ATOM 0 H ASP A 25 12.019 -0.717 -0.230 1.00 0.00 H new ATOM 0 HA ASP A 25 12.374 0.292 -2.184 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.018 -2.079 -3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.108 -0.420 -3.680 1.00 0.00 H new ATOM 361 N MET A 26 10.257 -1.469 -2.747 1.00 0.00 N ATOM 362 CA MET A 26 9.173 -2.004 -3.562 1.00 0.00 C ATOM 363 C MET A 26 8.025 -1.004 -3.664 1.00 0.00 C ATOM 364 O MET A 26 7.908 -0.092 -2.844 1.00 0.00 O ATOM 365 CB MET A 26 8.666 -3.322 -2.974 1.00 0.00 C ATOM 366 CG MET A 26 9.397 -4.545 -3.503 1.00 0.00 C ATOM 367 SD MET A 26 8.594 -6.090 -3.037 1.00 0.00 S ATOM 368 CE MET A 26 7.145 -6.049 -4.089 1.00 0.00 C ATOM 0 H MET A 26 9.980 -1.195 -1.804 1.00 0.00 H new ATOM 0 HA MET A 26 9.562 -2.188 -4.564 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.768 -3.289 -1.889 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.603 -3.422 -3.192 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.458 -4.485 -4.590 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.420 -4.543 -3.126 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.720 -7.050 -4.163 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.405 -5.371 -3.663 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.427 -5.700 -5.083 1.00 0.00 H new ATOM 378 N HIS A 27 7.180 -1.180 -4.675 1.00 0.00 N ATOM 379 CA HIS A 27 6.042 -0.293 -4.883 1.00 0.00 C ATOM 380 C HIS A 27 4.739 -0.978 -4.482 1.00 0.00 C ATOM 381 O HIS A 27 4.530 -2.156 -4.775 1.00 0.00 O ATOM 382 CB HIS A 27 5.971 0.146 -6.346 1.00 0.00 C ATOM 383 CG HIS A 27 6.740 1.398 -6.634 1.00 0.00 C ATOM 384 ND1 HIS A 27 6.433 2.248 -7.676 1.00 0.00 N ATOM 385 CD2 HIS A 27 7.808 1.945 -6.007 1.00 0.00 C ATOM 386 CE1 HIS A 27 7.280 3.262 -7.679 1.00 0.00 C ATOM 387 NE2 HIS A 27 8.125 3.102 -6.676 1.00 0.00 N ATOM 0 H HIS A 27 7.262 -1.929 -5.363 1.00 0.00 H new ATOM 0 HA HIS A 27 6.179 0.586 -4.254 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.352 -0.657 -6.977 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.927 0.299 -6.620 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.316 1.546 -5.142 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.281 4.082 -8.382 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.889 3.735 -6.437 1.00 0.00 H new ATOM 395 N CYS A 28 3.867 -0.234 -3.810 1.00 0.00 N ATOM 396 CA CYS A 28 2.585 -0.770 -3.367 1.00 0.00 C ATOM 397 C CYS A 28 1.579 0.352 -3.132 1.00 0.00 C ATOM 398 O CYS A 28 1.949 1.521 -3.035 1.00 0.00 O ATOM 399 CB CYS A 28 2.766 -1.587 -2.087 1.00 0.00 C ATOM 400 SG CYS A 28 3.302 -0.614 -0.660 1.00 0.00 S ATOM 0 H CYS A 28 4.025 0.742 -3.560 1.00 0.00 H new ATOM 0 HA CYS A 28 2.199 -1.420 -4.152 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.823 -2.077 -1.845 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.497 -2.374 -2.272 1.00 0.00 H new ATOM 0 HG CYS A 28 3.898 0.466 -1.070 1.00 0.00 H new ATOM 406 N ALA A 29 0.304 -0.013 -3.042 1.00 0.00 N ATOM 407 CA ALA A 29 -0.756 0.962 -2.818 1.00 0.00 C ATOM 408 C ALA A 29 -1.411 0.757 -1.456 1.00 0.00 C ATOM 409 O ALA A 29 -2.018 -0.282 -1.198 1.00 0.00 O ATOM 410 CB ALA A 29 -1.796 0.875 -3.925 1.00 0.00 C ATOM 0 H ALA A 29 -0.020 -0.977 -3.121 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.310 1.957 -2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.582 1.609 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.323 1.079 -4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.230 -0.125 -3.939 1.00 0.00 H new ATOM 416 N VAL A 30 -1.284 1.755 -0.587 1.00 0.00 N ATOM 417 CA VAL A 30 -1.864 1.684 0.748 1.00 0.00 C ATOM 418 C VAL A 30 -3.259 2.299 0.775 1.00 0.00 C ATOM 419 O VAL A 30 -3.532 3.277 0.078 1.00 0.00 O ATOM 420 CB VAL A 30 -0.978 2.403 1.784 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.547 3.766 1.264 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.711 2.536 3.110 1.00 0.00 C ATOM 0 H VAL A 30 -0.784 2.622 -0.784 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.931 0.628 1.008 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.082 1.804 1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.078 4.259 2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.019 3.641 0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.429 4.376 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.071 3.046 3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.625 3.112 2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.964 1.545 3.487 1.00 0.00 H new ATOM 432 N LYS A 31 -4.139 1.720 1.584 1.00 0.00 N ATOM 433 CA LYS A 31 -5.507 2.211 1.705 1.00 0.00 C ATOM 434 C LYS A 31 -5.683 3.024 2.983 1.00 0.00 C ATOM 435 O LYS A 31 -5.527 2.503 4.088 1.00 0.00 O ATOM 436 CB LYS A 31 -6.493 1.041 1.692 1.00 0.00 C ATOM 437 CG LYS A 31 -7.949 1.473 1.739 1.00 0.00 C ATOM 438 CD LYS A 31 -8.876 0.285 1.935 1.00 0.00 C ATOM 439 CE LYS A 31 -8.990 -0.097 3.402 1.00 0.00 C ATOM 440 NZ LYS A 31 -10.298 -0.739 3.708 1.00 0.00 N ATOM 0 H LYS A 31 -3.929 0.909 2.166 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.710 2.859 0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.328 0.447 0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.287 0.393 2.544 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.092 2.186 2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.207 1.988 0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.864 0.525 1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.504 -0.566 1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.181 -0.779 3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.869 0.793 4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.336 -0.984 4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.070 -0.079 3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.403 -1.602 3.138 1.00 0.00 H new ATOM 454 N ILE A 32 -6.009 4.303 2.825 1.00 0.00 N ATOM 455 CA ILE A 32 -6.208 5.186 3.968 1.00 0.00 C ATOM 456 C ILE A 32 -7.467 4.809 4.741 1.00 0.00 C ATOM 457 O ILE A 32 -8.497 4.489 4.149 1.00 0.00 O ATOM 458 CB ILE A 32 -6.310 6.659 3.529 1.00 0.00 C ATOM 459 CG1 ILE A 32 -5.150 7.018 2.598 1.00 0.00 C ATOM 460 CG2 ILE A 32 -6.322 7.574 4.745 1.00 0.00 C ATOM 461 CD1 ILE A 32 -5.104 8.484 2.228 1.00 0.00 C ATOM 0 H ILE A 32 -6.141 4.750 1.918 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.339 5.067 4.615 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.244 6.797 2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.211 6.743 3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.228 6.424 1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.394 8.612 4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.178 7.331 5.375 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.402 7.436 5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.257 8.666 1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.028 8.760 1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.994 9.084 3.131 1.00 0.00 H new ATOM 473 N GLN A 33 -7.376 4.852 6.066 1.00 0.00 N ATOM 474 CA GLN A 33 -8.509 4.516 6.920 1.00 0.00 C ATOM 475 C GLN A 33 -9.558 5.623 6.894 1.00 0.00 C ATOM 476 O GLN A 33 -10.605 5.484 6.262 1.00 0.00 O ATOM 477 CB GLN A 33 -8.039 4.276 8.356 1.00 0.00 C ATOM 478 CG GLN A 33 -7.478 2.883 8.588 1.00 0.00 C ATOM 479 CD GLN A 33 -8.526 1.799 8.435 1.00 0.00 C ATOM 480 OE1 GLN A 33 -8.763 1.374 7.200 1.00 0.00 O flip ATOM 481 NE2 GLN A 33 -9.117 1.348 9.417 1.00 0.00 N flip ATOM 0 H GLN A 33 -6.530 5.116 6.571 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.962 3.602 6.536 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.276 5.012 8.607 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.876 4.439 9.035 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.666 2.700 7.884 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.049 2.830 9.589 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.903 1.704 10.349 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.820 0.619 9.299 1.00 0.00 H new ATOM 490 N ASP A 34 -9.269 6.721 7.584 1.00 0.00 N ATOM 491 CA ASP A 34 -10.187 7.852 7.639 1.00 0.00 C ATOM 492 C ASP A 34 -10.605 8.282 6.236 1.00 0.00 C ATOM 493 O ASP A 34 -11.795 8.398 5.939 1.00 0.00 O ATOM 494 CB ASP A 34 -9.539 9.027 8.373 1.00 0.00 C ATOM 495 CG ASP A 34 -9.739 8.953 9.874 1.00 0.00 C ATOM 496 OD1 ASP A 34 -9.830 7.826 10.405 1.00 0.00 O ATOM 497 OD2 ASP A 34 -9.806 10.021 10.518 1.00 0.00 O ATOM 0 H ASP A 34 -8.407 6.852 8.113 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.077 7.539 8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.472 9.046 8.152 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.958 9.961 7.999 1.00 0.00 H new ATOM 502 N LYS A 35 -9.620 8.518 5.377 1.00 0.00 N ATOM 503 CA LYS A 35 -9.884 8.935 4.005 1.00 0.00 C ATOM 504 C LYS A 35 -10.481 7.789 3.193 1.00 0.00 C ATOM 505 O LYS A 35 -10.353 6.623 3.563 1.00 0.00 O ATOM 506 CB LYS A 35 -8.594 9.425 3.342 1.00 0.00 C ATOM 507 CG LYS A 35 -8.821 10.499 2.292 1.00 0.00 C ATOM 508 CD LYS A 35 -8.757 11.892 2.895 1.00 0.00 C ATOM 509 CE LYS A 35 -7.328 12.285 3.238 1.00 0.00 C ATOM 510 NZ LYS A 35 -6.495 12.471 2.018 1.00 0.00 N ATOM 0 H LYS A 35 -8.630 8.428 5.607 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.605 9.752 4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.926 9.815 4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.088 8.577 2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.070 10.406 1.508 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.793 10.350 1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.175 12.613 2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.372 11.929 3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.335 13.208 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.882 11.516 3.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.637 13.005 2.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.228 11.542 1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.038 12.996 1.304 1.00 0.00 H new ATOM 524 N ASN A 36 -11.132 8.131 2.086 1.00 0.00 N ATOM 525 CA ASN A 36 -11.748 7.130 1.222 1.00 0.00 C ATOM 526 C ASN A 36 -11.044 7.072 -0.130 1.00 0.00 C ATOM 527 O ASN A 36 -11.681 6.865 -1.163 1.00 0.00 O ATOM 528 CB ASN A 36 -13.233 7.442 1.024 1.00 0.00 C ATOM 529 CG ASN A 36 -13.942 7.729 2.333 1.00 0.00 C ATOM 530 OD1 ASN A 36 -13.601 7.167 3.374 1.00 0.00 O ATOM 531 ND2 ASN A 36 -14.936 8.609 2.286 1.00 0.00 N ATOM 0 H ASN A 36 -11.247 9.093 1.766 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.649 6.158 1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.336 8.302 0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.716 6.599 0.529 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.451 8.843 3.135 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.185 9.051 1.401 1.00 0.00 H new ATOM 538 N GLN A 37 -9.728 7.256 -0.115 1.00 0.00 N ATOM 539 CA GLN A 37 -8.939 7.224 -1.340 1.00 0.00 C ATOM 540 C GLN A 37 -7.823 6.188 -1.243 1.00 0.00 C ATOM 541 O GLN A 37 -7.736 5.447 -0.264 1.00 0.00 O ATOM 542 CB GLN A 37 -8.345 8.605 -1.625 1.00 0.00 C ATOM 543 CG GLN A 37 -7.159 8.952 -0.740 1.00 0.00 C ATOM 544 CD GLN A 37 -5.854 8.386 -1.264 1.00 0.00 C ATOM 545 OE1 GLN A 37 -5.316 7.425 -0.714 1.00 0.00 O ATOM 546 NE2 GLN A 37 -5.338 8.981 -2.333 1.00 0.00 N ATOM 0 H GLN A 37 -9.186 7.429 0.732 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.600 6.943 -2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.034 8.649 -2.669 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.120 9.359 -1.491 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.075 10.036 -0.661 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.338 8.572 0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.818 9.775 -2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.461 8.644 -2.731 1.00 0.00 H new ATOM 555 N TRP A 38 -6.974 6.143 -2.263 1.00 0.00 N ATOM 556 CA TRP A 38 -5.864 5.198 -2.292 1.00 0.00 C ATOM 557 C TRP A 38 -4.554 5.905 -2.621 1.00 0.00 C ATOM 558 O TRP A 38 -4.415 6.508 -3.685 1.00 0.00 O ATOM 559 CB TRP A 38 -6.134 4.094 -3.316 1.00 0.00 C ATOM 560 CG TRP A 38 -7.028 3.009 -2.799 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.392 3.031 -2.734 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.620 1.742 -2.271 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.857 1.855 -2.199 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.790 1.046 -1.907 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.382 1.126 -2.074 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.755 -0.232 -1.356 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -5.349 -0.143 -1.526 1.00 0.00 C ATOM 568 CH2 TRP A 38 -6.529 -0.811 -1.173 1.00 0.00 C ATOM 0 H TRP A 38 -7.033 6.750 -3.081 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.774 4.751 -1.302 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.587 4.535 -4.204 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.185 3.656 -3.626 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.014 3.853 -3.056 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.838 1.621 -2.044 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.467 1.632 -2.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.663 -0.748 -1.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.397 -0.628 -1.367 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.470 -1.802 -0.748 1.00 0.00 H new ATOM 579 N ARG A 39 -3.597 5.828 -1.702 1.00 0.00 N ATOM 580 CA ARG A 39 -2.299 6.462 -1.896 1.00 0.00 C ATOM 581 C ARG A 39 -1.212 5.417 -2.129 1.00 0.00 C ATOM 582 O ARG A 39 -1.347 4.265 -1.717 1.00 0.00 O ATOM 583 CB ARG A 39 -1.942 7.323 -0.682 1.00 0.00 C ATOM 584 CG ARG A 39 -2.441 8.755 -0.784 1.00 0.00 C ATOM 585 CD ARG A 39 -1.800 9.644 0.271 1.00 0.00 C ATOM 586 NE ARG A 39 -2.252 11.029 0.168 1.00 0.00 N ATOM 587 CZ ARG A 39 -1.990 11.957 1.081 1.00 0.00 C ATOM 588 NH1 ARG A 39 -1.281 11.651 2.159 1.00 0.00 N ATOM 589 NH2 ARG A 39 -2.436 13.196 0.916 1.00 0.00 N ATOM 0 H ARG A 39 -3.696 5.333 -0.816 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.362 7.098 -2.779 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.360 6.864 0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.859 7.332 -0.559 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.220 9.149 -1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.525 8.773 -0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.037 9.258 1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.716 9.608 0.165 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.799 11.298 -0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.935 10.700 2.289 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.082 12.366 2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.980 13.436 0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.234 13.908 1.618 1.00 0.00 H new ATOM 603 N ARG A 40 -0.136 5.827 -2.792 1.00 0.00 N ATOM 604 CA ARG A 40 0.973 4.926 -3.081 1.00 0.00 C ATOM 605 C ARG A 40 2.114 5.132 -2.089 1.00 0.00 C ATOM 606 O ARG A 40 2.354 6.246 -1.626 1.00 0.00 O ATOM 607 CB ARG A 40 1.478 5.146 -4.508 1.00 0.00 C ATOM 608 CG ARG A 40 0.596 4.510 -5.571 1.00 0.00 C ATOM 609 CD ARG A 40 -0.588 5.399 -5.917 1.00 0.00 C ATOM 610 NE ARG A 40 -0.167 6.670 -6.500 1.00 0.00 N ATOM 611 CZ ARG A 40 -0.985 7.699 -6.691 1.00 0.00 C ATOM 612 NH1 ARG A 40 -2.262 7.606 -6.346 1.00 0.00 N ATOM 613 NH2 ARG A 40 -0.527 8.823 -7.227 1.00 0.00 N ATOM 0 H ARG A 40 -0.009 6.778 -3.139 1.00 0.00 H new ATOM 0 HA ARG A 40 0.611 3.902 -2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.548 6.217 -4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.486 4.741 -4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.185 4.321 -6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.236 3.544 -5.217 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.240 4.877 -6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.173 5.589 -5.017 1.00 0.00 H new ATOM 0 HE ARG A 40 0.810 6.773 -6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.617 6.744 -5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.889 8.397 -6.493 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.455 8.898 -7.493 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.157 9.612 -7.373 1.00 0.00 H new ATOM 627 N GLY A 41 2.813 4.048 -1.766 1.00 0.00 N ATOM 628 CA GLY A 41 3.920 4.131 -0.831 1.00 0.00 C ATOM 629 C GLY A 41 5.075 3.230 -1.218 1.00 0.00 C ATOM 630 O GLY A 41 4.922 2.337 -2.051 1.00 0.00 O ATOM 0 H GLY A 41 2.633 3.114 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.270 5.162 -0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.571 3.861 0.166 1.00 0.00 H new ATOM 634 N GLN A 42 6.235 3.464 -0.613 1.00 0.00 N ATOM 635 CA GLN A 42 7.422 2.667 -0.902 1.00 0.00 C ATOM 636 C GLN A 42 7.872 1.895 0.333 1.00 0.00 C ATOM 637 O GLN A 42 8.151 2.483 1.378 1.00 0.00 O ATOM 638 CB GLN A 42 8.556 3.565 -1.398 1.00 0.00 C ATOM 639 CG GLN A 42 9.668 2.806 -2.105 1.00 0.00 C ATOM 640 CD GLN A 42 10.835 3.697 -2.482 1.00 0.00 C ATOM 641 OE1 GLN A 42 10.678 4.907 -2.651 1.00 0.00 O ATOM 642 NE2 GLN A 42 12.015 3.103 -2.615 1.00 0.00 N ATOM 0 H GLN A 42 6.378 4.199 0.080 1.00 0.00 H new ATOM 0 HA GLN A 42 7.167 1.951 -1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.146 4.311 -2.079 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.978 4.105 -0.550 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.023 2.003 -1.458 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.268 2.338 -3.004 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.100 2.098 -2.466 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.837 3.652 -2.867 1.00 0.00 H new ATOM 651 N ILE A 43 7.941 0.574 0.206 1.00 0.00 N ATOM 652 CA ILE A 43 8.359 -0.279 1.312 1.00 0.00 C ATOM 653 C ILE A 43 9.652 0.229 1.940 1.00 0.00 C ATOM 654 O ILE A 43 10.746 -0.080 1.467 1.00 0.00 O ATOM 655 CB ILE A 43 8.561 -1.736 0.854 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.288 -2.266 0.190 1.00 0.00 C ATOM 657 CG2 ILE A 43 8.953 -2.612 2.035 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.111 -2.367 1.134 1.00 0.00 C ATOM 0 H ILE A 43 7.713 0.071 -0.652 1.00 0.00 H new ATOM 0 HA ILE A 43 7.561 -0.247 2.054 1.00 0.00 H new ATOM 0 HB ILE A 43 9.368 -1.763 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.022 -1.612 -0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.491 -3.251 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.092 -3.639 1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.883 -2.244 2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.165 -2.582 2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.244 -2.750 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.358 -3.044 1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.882 -1.380 1.536 1.00 0.00 H new ATOM 670 N ILE A 44 9.519 1.008 3.008 1.00 0.00 N ATOM 671 CA ILE A 44 10.678 1.556 3.702 1.00 0.00 C ATOM 672 C ILE A 44 11.387 0.482 4.521 1.00 0.00 C ATOM 673 O ILE A 44 12.526 0.117 4.230 1.00 0.00 O ATOM 674 CB ILE A 44 10.279 2.715 4.634 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.786 3.910 3.814 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.454 3.118 5.512 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.443 5.119 4.656 1.00 0.00 C ATOM 0 H ILE A 44 8.621 1.274 3.412 1.00 0.00 H new ATOM 0 HA ILE A 44 11.356 1.932 2.936 1.00 0.00 H new ATOM 0 HB ILE A 44 9.467 2.380 5.279 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.554 4.186 3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.905 3.612 3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.156 3.938 6.165 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.764 2.267 6.118 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.285 3.438 4.883 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.101 5.927 4.010 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.653 4.859 5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.327 5.443 5.205 1.00 0.00 H new ATOM 689 N ARG A 45 10.704 -0.021 5.544 1.00 0.00 N ATOM 690 CA ARG A 45 11.268 -1.054 6.405 1.00 0.00 C ATOM 691 C ARG A 45 10.165 -1.831 7.117 1.00 0.00 C ATOM 692 O ARG A 45 9.356 -1.254 7.843 1.00 0.00 O ATOM 693 CB ARG A 45 12.214 -0.431 7.433 1.00 0.00 C ATOM 694 CG ARG A 45 11.511 0.060 8.688 1.00 0.00 C ATOM 695 CD ARG A 45 12.373 1.046 9.460 1.00 0.00 C ATOM 696 NE ARG A 45 11.692 1.556 10.648 1.00 0.00 N ATOM 697 CZ ARG A 45 12.264 2.365 11.532 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.520 2.755 11.364 1.00 0.00 N ATOM 699 NH2 ARG A 45 11.579 2.787 12.587 1.00 0.00 N ATOM 0 H ARG A 45 9.760 0.270 5.797 1.00 0.00 H new ATOM 0 HA ARG A 45 11.830 -1.747 5.778 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.968 -1.167 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.740 0.404 6.971 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.568 0.535 8.416 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.268 -0.790 9.326 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.303 0.560 9.756 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.641 1.879 8.810 1.00 0.00 H new ATOM 0 HE ARG A 45 10.724 1.275 10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.050 2.434 10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.956 3.377 12.045 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.612 2.490 12.719 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.019 3.408 13.266 1.00 0.00 H new ATOM 713 N MET A 46 10.139 -3.142 6.903 1.00 0.00 N ATOM 714 CA MET A 46 9.135 -3.997 7.526 1.00 0.00 C ATOM 715 C MET A 46 9.306 -4.022 9.041 1.00 0.00 C ATOM 716 O MET A 46 10.331 -4.471 9.553 1.00 0.00 O ATOM 717 CB MET A 46 9.228 -5.419 6.967 1.00 0.00 C ATOM 718 CG MET A 46 8.665 -5.557 5.562 1.00 0.00 C ATOM 719 SD MET A 46 8.118 -7.236 5.195 1.00 0.00 S ATOM 720 CE MET A 46 6.845 -7.456 6.436 1.00 0.00 C ATOM 0 H MET A 46 10.801 -3.635 6.304 1.00 0.00 H new ATOM 0 HA MET A 46 8.152 -3.587 7.296 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.272 -5.732 6.964 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.694 -6.098 7.632 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.826 -4.871 5.442 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.425 -5.260 4.839 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.050 -8.359 7.011 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.836 -6.595 7.104 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.874 -7.548 5.949 1.00 0.00 H new ATOM 730 N VAL A 47 8.295 -3.535 9.755 1.00 0.00 N ATOM 731 CA VAL A 47 8.333 -3.503 11.212 1.00 0.00 C ATOM 732 C VAL A 47 8.027 -4.875 11.801 1.00 0.00 C ATOM 733 O VAL A 47 8.867 -5.478 12.470 1.00 0.00 O ATOM 734 CB VAL A 47 7.331 -2.478 11.777 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.462 -2.382 13.289 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.537 -1.118 11.127 1.00 0.00 C ATOM 0 H VAL A 47 7.440 -3.157 9.347 1.00 0.00 H new ATOM 0 HA VAL A 47 9.343 -3.207 11.496 1.00 0.00 H new ATOM 0 HB VAL A 47 6.321 -2.816 11.545 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.747 -1.653 13.671 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.260 -3.356 13.734 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.473 -2.067 13.547 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.821 -0.406 11.538 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.550 -0.769 11.326 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.388 -1.203 10.051 1.00 0.00 H new ATOM 746 N THR A 48 6.818 -5.365 11.547 1.00 0.00 N ATOM 747 CA THR A 48 6.400 -6.667 12.053 1.00 0.00 C ATOM 748 C THR A 48 5.710 -7.483 10.966 1.00 0.00 C ATOM 749 O THR A 48 5.622 -7.054 9.815 1.00 0.00 O ATOM 750 CB THR A 48 5.446 -6.523 13.254 1.00 0.00 C ATOM 751 OG1 THR A 48 4.168 -6.052 12.812 1.00 0.00 O ATOM 752 CG2 THR A 48 6.017 -5.562 14.286 1.00 0.00 C ATOM 0 H THR A 48 6.111 -4.880 10.994 1.00 0.00 H new ATOM 0 HA THR A 48 7.303 -7.186 12.376 1.00 0.00 H new ATOM 0 HB THR A 48 5.331 -7.503 13.717 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.621 -5.813 13.589 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.326 -5.476 15.125 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.976 -5.939 14.643 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.159 -4.582 13.831 1.00 0.00 H new ATOM 760 N ASP A 49 5.220 -8.660 11.337 1.00 0.00 N ATOM 761 CA ASP A 49 4.535 -9.536 10.394 1.00 0.00 C ATOM 762 C ASP A 49 3.147 -8.998 10.061 1.00 0.00 C ATOM 763 O ASP A 49 2.406 -9.599 9.282 1.00 0.00 O ATOM 764 CB ASP A 49 4.423 -10.950 10.966 1.00 0.00 C ATOM 765 CG ASP A 49 3.277 -11.088 11.949 1.00 0.00 C ATOM 766 OD1 ASP A 49 3.204 -10.274 12.893 1.00 0.00 O ATOM 767 OD2 ASP A 49 2.453 -12.010 11.773 1.00 0.00 O ATOM 0 H ASP A 49 5.284 -9.030 12.285 1.00 0.00 H new ATOM 0 HA ASP A 49 5.122 -9.569 9.476 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.285 -11.659 10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.357 -11.213 11.462 1.00 0.00 H new ATOM 772 N THR A 50 2.801 -7.861 10.657 1.00 0.00 N ATOM 773 CA THR A 50 1.502 -7.242 10.426 1.00 0.00 C ATOM 774 C THR A 50 1.652 -5.775 10.039 1.00 0.00 C ATOM 775 O THR A 50 0.818 -5.223 9.321 1.00 0.00 O ATOM 776 CB THR A 50 0.602 -7.343 11.672 1.00 0.00 C ATOM 777 OG1 THR A 50 1.239 -6.714 12.789 1.00 0.00 O ATOM 778 CG2 THR A 50 0.301 -8.797 12.006 1.00 0.00 C ATOM 0 H THR A 50 3.403 -7.350 11.303 1.00 0.00 H new ATOM 0 HA THR A 50 1.035 -7.785 9.604 1.00 0.00 H new ATOM 0 HB THR A 50 -0.337 -6.834 11.456 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.181 -6.545 12.576 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.336 -8.843 12.889 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.210 -9.265 11.165 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.234 -9.326 12.203 1.00 0.00 H new ATOM 786 N LEU A 51 2.720 -5.148 10.520 1.00 0.00 N ATOM 787 CA LEU A 51 2.981 -3.744 10.223 1.00 0.00 C ATOM 788 C LEU A 51 4.151 -3.600 9.255 1.00 0.00 C ATOM 789 O LEU A 51 4.985 -4.496 9.135 1.00 0.00 O ATOM 790 CB LEU A 51 3.274 -2.976 11.514 1.00 0.00 C ATOM 791 CG LEU A 51 2.324 -3.239 12.682 1.00 0.00 C ATOM 792 CD1 LEU A 51 2.813 -2.534 13.937 1.00 0.00 C ATOM 793 CD2 LEU A 51 0.912 -2.791 12.332 1.00 0.00 C ATOM 0 H LEU A 51 3.419 -5.590 11.117 1.00 0.00 H new ATOM 0 HA LEU A 51 2.091 -3.326 9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.287 -3.218 11.835 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.256 -1.909 11.290 1.00 0.00 H new ATOM 0 HG LEU A 51 2.306 -4.311 12.876 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.124 -2.733 14.758 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.805 -2.903 14.198 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.861 -1.460 13.756 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.249 -2.986 13.175 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.913 -1.724 12.110 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.561 -3.342 11.460 1.00 0.00 H new ATOM 805 N VAL A 52 4.206 -2.463 8.567 1.00 0.00 N ATOM 806 CA VAL A 52 5.275 -2.199 7.612 1.00 0.00 C ATOM 807 C VAL A 52 5.433 -0.704 7.363 1.00 0.00 C ATOM 808 O VAL A 52 4.452 0.006 7.145 1.00 0.00 O ATOM 809 CB VAL A 52 5.016 -2.908 6.269 1.00 0.00 C ATOM 810 CG1 VAL A 52 5.878 -2.303 5.171 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.271 -4.402 6.397 1.00 0.00 C ATOM 0 H VAL A 52 3.523 -1.711 8.654 1.00 0.00 H new ATOM 0 HA VAL A 52 6.194 -2.590 8.049 1.00 0.00 H new ATOM 0 HB VAL A 52 3.970 -2.764 5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.682 -2.816 4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.640 -1.245 5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.930 -2.414 5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.083 -4.887 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.307 -4.570 6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.606 -4.821 7.152 1.00 0.00 H new ATOM 821 N GLU A 53 6.675 -0.231 7.397 1.00 0.00 N ATOM 822 CA GLU A 53 6.961 1.181 7.175 1.00 0.00 C ATOM 823 C GLU A 53 7.061 1.489 5.684 1.00 0.00 C ATOM 824 O GLU A 53 7.857 0.883 4.966 1.00 0.00 O ATOM 825 CB GLU A 53 8.262 1.578 7.877 1.00 0.00 C ATOM 826 CG GLU A 53 8.292 3.028 8.329 1.00 0.00 C ATOM 827 CD GLU A 53 9.412 3.310 9.312 1.00 0.00 C ATOM 828 OE1 GLU A 53 9.245 2.994 10.508 1.00 0.00 O ATOM 829 OE2 GLU A 53 10.455 3.848 8.884 1.00 0.00 O ATOM 0 H GLU A 53 7.499 -0.805 7.576 1.00 0.00 H new ATOM 0 HA GLU A 53 6.139 1.761 7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.409 0.933 8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.099 1.400 7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.407 3.674 7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.337 3.281 8.790 1.00 0.00 H new ATOM 836 N VAL A 54 6.247 2.433 5.225 1.00 0.00 N ATOM 837 CA VAL A 54 6.243 2.822 3.819 1.00 0.00 C ATOM 838 C VAL A 54 6.475 4.321 3.663 1.00 0.00 C ATOM 839 O VAL A 54 6.331 5.086 4.619 1.00 0.00 O ATOM 840 CB VAL A 54 4.915 2.445 3.136 1.00 0.00 C ATOM 841 CG1 VAL A 54 4.895 0.965 2.788 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.736 2.808 4.027 1.00 0.00 C ATOM 0 H VAL A 54 5.581 2.943 5.806 1.00 0.00 H new ATOM 0 HA VAL A 54 7.057 2.279 3.338 1.00 0.00 H new ATOM 0 HB VAL A 54 4.829 3.013 2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.949 0.717 2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.718 0.740 2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.004 0.376 3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.806 2.535 3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.814 2.269 4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.743 3.881 4.220 1.00 0.00 H new ATOM 852 N LEU A 55 6.833 4.736 2.453 1.00 0.00 N ATOM 853 CA LEU A 55 7.085 6.145 2.171 1.00 0.00 C ATOM 854 C LEU A 55 6.133 6.663 1.097 1.00 0.00 C ATOM 855 O LEU A 55 6.100 6.145 -0.021 1.00 0.00 O ATOM 856 CB LEU A 55 8.534 6.345 1.724 1.00 0.00 C ATOM 857 CG LEU A 55 8.816 7.606 0.907 1.00 0.00 C ATOM 858 CD1 LEU A 55 8.481 8.851 1.713 1.00 0.00 C ATOM 859 CD2 LEU A 55 10.269 7.635 0.456 1.00 0.00 C ATOM 0 H LEU A 55 6.955 4.117 1.651 1.00 0.00 H new ATOM 0 HA LEU A 55 6.913 6.710 3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.168 6.361 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.834 5.479 1.134 1.00 0.00 H new ATOM 0 HG LEU A 55 8.181 7.591 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.688 9.738 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.426 8.835 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.089 8.873 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.452 8.539 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.921 7.626 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.476 6.760 -0.161 1.00 0.00 H new ATOM 871 N LEU A 56 5.363 7.688 1.441 1.00 0.00 N ATOM 872 CA LEU A 56 4.412 8.279 0.506 1.00 0.00 C ATOM 873 C LEU A 56 5.122 9.190 -0.491 1.00 0.00 C ATOM 874 O LEU A 56 4.736 10.344 -0.677 1.00 0.00 O ATOM 875 CB LEU A 56 3.344 9.069 1.264 1.00 0.00 C ATOM 876 CG LEU A 56 2.601 8.309 2.364 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.544 9.194 3.004 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.971 7.042 1.805 1.00 0.00 C ATOM 0 H LEU A 56 5.378 8.128 2.361 1.00 0.00 H new ATOM 0 HA LEU A 56 3.933 7.470 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.816 9.944 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.612 9.434 0.544 1.00 0.00 H new ATOM 0 HG LEU A 56 3.321 8.025 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.026 8.636 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.020 10.072 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.827 9.510 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.447 6.514 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.265 7.304 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.750 6.399 1.395 1.00 0.00 H new ATOM 890 N TYR A 57 6.160 8.662 -1.130 1.00 0.00 N ATOM 891 CA TYR A 57 6.925 9.427 -2.108 1.00 0.00 C ATOM 892 C TYR A 57 6.007 10.316 -2.942 1.00 0.00 C ATOM 893 O TYR A 57 6.407 11.390 -3.392 1.00 0.00 O ATOM 894 CB TYR A 57 7.710 8.486 -3.022 1.00 0.00 C ATOM 895 CG TYR A 57 6.848 7.451 -3.710 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.253 7.718 -4.936 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.631 6.206 -3.133 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.464 6.775 -5.567 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.845 5.257 -3.757 1.00 0.00 C ATOM 900 CZ TYR A 57 5.263 5.546 -4.974 1.00 0.00 C ATOM 901 OH TYR A 57 4.480 4.604 -5.600 1.00 0.00 O ATOM 0 H TYR A 57 6.491 7.708 -0.988 1.00 0.00 H new ATOM 0 HA TYR A 57 7.625 10.064 -1.567 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.228 9.076 -3.778 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.475 7.978 -2.435 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.409 8.679 -5.404 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.085 5.976 -2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.007 6.999 -6.520 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.687 4.294 -3.295 1.00 0.00 H new ATOM 0 HH TYR A 57 4.336 3.845 -4.997 1.00 0.00 H new ATOM 911 N ASP A 58 4.776 9.861 -3.142 1.00 0.00 N ATOM 912 CA ASP A 58 3.799 10.615 -3.920 1.00 0.00 C ATOM 913 C ASP A 58 3.632 12.025 -3.364 1.00 0.00 C ATOM 914 O ASP A 58 3.651 13.004 -4.109 1.00 0.00 O ATOM 915 CB ASP A 58 2.451 9.891 -3.925 1.00 0.00 C ATOM 916 CG ASP A 58 2.562 8.464 -4.423 1.00 0.00 C ATOM 917 OD1 ASP A 58 2.956 7.587 -3.627 1.00 0.00 O ATOM 918 OD2 ASP A 58 2.255 8.224 -5.610 1.00 0.00 O ATOM 0 H ASP A 58 4.430 8.974 -2.777 1.00 0.00 H new ATOM 0 HA ASP A 58 4.166 10.690 -4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.039 9.889 -2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.750 10.439 -4.555 1.00 0.00 H new ATOM 923 N VAL A 59 3.467 12.120 -2.048 1.00 0.00 N ATOM 924 CA VAL A 59 3.296 13.411 -1.391 1.00 0.00 C ATOM 925 C VAL A 59 4.566 13.826 -0.656 1.00 0.00 C ATOM 926 O VAL A 59 4.991 14.978 -0.732 1.00 0.00 O ATOM 927 CB VAL A 59 2.125 13.381 -0.391 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.817 13.082 -1.109 1.00 0.00 C ATOM 929 CG2 VAL A 59 2.386 12.359 0.705 1.00 0.00 C ATOM 0 H VAL A 59 3.448 11.319 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 59 3.078 14.138 -2.173 1.00 0.00 H new ATOM 0 HB VAL A 59 2.041 14.364 0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.001 13.065 -0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.626 13.855 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.886 12.112 -1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.548 12.352 1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.497 11.370 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.300 12.622 1.238 1.00 0.00 H new ATOM 939 N GLY A 60 5.169 12.877 0.055 1.00 0.00 N ATOM 940 CA GLY A 60 6.385 13.164 0.793 1.00 0.00 C ATOM 941 C GLY A 60 6.187 13.078 2.293 1.00 0.00 C ATOM 942 O GLY A 60 6.534 14.003 3.027 1.00 0.00 O ATOM 0 H GLY A 60 4.837 11.916 0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.163 12.463 0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.737 14.162 0.533 1.00 0.00 H new ATOM 946 N VAL A 61 5.624 11.964 2.751 1.00 0.00 N ATOM 947 CA VAL A 61 5.380 11.760 4.174 1.00 0.00 C ATOM 948 C VAL A 61 5.747 10.342 4.597 1.00 0.00 C ATOM 949 O VAL A 61 5.278 9.368 4.010 1.00 0.00 O ATOM 950 CB VAL A 61 3.906 12.026 4.533 1.00 0.00 C ATOM 951 CG1 VAL A 61 3.591 11.495 5.923 1.00 0.00 C ATOM 952 CG2 VAL A 61 3.594 13.512 4.438 1.00 0.00 C ATOM 0 H VAL A 61 5.328 11.189 2.157 1.00 0.00 H new ATOM 0 HA VAL A 61 6.011 12.470 4.709 1.00 0.00 H new ATOM 0 HB VAL A 61 3.275 11.499 3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.545 11.692 6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.774 10.421 5.952 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.228 11.991 6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.548 13.681 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.231 14.063 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.778 13.858 3.421 1.00 0.00 H new ATOM 962 N GLU A 62 6.588 10.236 5.621 1.00 0.00 N ATOM 963 CA GLU A 62 7.018 8.936 6.123 1.00 0.00 C ATOM 964 C GLU A 62 6.052 8.415 7.184 1.00 0.00 C ATOM 965 O GLU A 62 5.832 9.061 8.210 1.00 0.00 O ATOM 966 CB GLU A 62 8.430 9.031 6.706 1.00 0.00 C ATOM 967 CG GLU A 62 9.445 9.630 5.747 1.00 0.00 C ATOM 968 CD GLU A 62 10.571 10.349 6.464 1.00 0.00 C ATOM 969 OE1 GLU A 62 10.275 11.181 7.347 1.00 0.00 O ATOM 970 OE2 GLU A 62 11.747 10.082 6.141 1.00 0.00 O ATOM 0 H GLU A 62 6.985 11.033 6.119 1.00 0.00 H new ATOM 0 HA GLU A 62 7.024 8.237 5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.400 9.634 7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.762 8.034 6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.862 8.838 5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.940 10.328 5.079 1.00 0.00 H new ATOM 977 N LEU A 63 5.479 7.245 6.929 1.00 0.00 N ATOM 978 CA LEU A 63 4.535 6.636 7.861 1.00 0.00 C ATOM 979 C LEU A 63 4.540 5.117 7.726 1.00 0.00 C ATOM 980 O LEU A 63 5.205 4.563 6.850 1.00 0.00 O ATOM 981 CB LEU A 63 3.126 7.177 7.616 1.00 0.00 C ATOM 982 CG LEU A 63 2.251 6.363 6.662 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.880 7.005 6.516 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.926 6.227 5.305 1.00 0.00 C ATOM 0 H LEU A 63 5.651 6.698 6.085 1.00 0.00 H new ATOM 0 HA LEU A 63 4.845 6.893 8.874 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.614 7.248 8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.211 8.191 7.224 1.00 0.00 H new ATOM 0 HG LEU A 63 2.119 5.366 7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.271 6.412 5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.394 7.050 7.490 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.991 8.014 6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.289 5.645 4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.088 7.217 4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.884 5.722 5.424 1.00 0.00 H new ATOM 996 N VAL A 64 3.792 4.448 8.598 1.00 0.00 N ATOM 997 CA VAL A 64 3.707 2.993 8.574 1.00 0.00 C ATOM 998 C VAL A 64 2.259 2.525 8.662 1.00 0.00 C ATOM 999 O VAL A 64 1.504 2.966 9.529 1.00 0.00 O ATOM 1000 CB VAL A 64 4.509 2.365 9.730 1.00 0.00 C ATOM 1001 CG1 VAL A 64 4.140 3.018 11.053 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.276 0.863 9.784 1.00 0.00 C ATOM 0 H VAL A 64 3.236 4.891 9.330 1.00 0.00 H new ATOM 0 HA VAL A 64 4.134 2.667 7.626 1.00 0.00 H new ATOM 0 HB VAL A 64 5.570 2.539 9.550 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.717 2.561 11.857 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.362 4.084 11.007 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.076 2.877 11.244 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.850 0.435 10.606 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.216 0.665 9.940 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.595 0.411 8.845 1.00 0.00 H new ATOM 1012 N VAL A 65 1.876 1.628 7.758 1.00 0.00 N ATOM 1013 CA VAL A 65 0.518 1.099 7.734 1.00 0.00 C ATOM 1014 C VAL A 65 0.517 -0.418 7.884 1.00 0.00 C ATOM 1015 O VAL A 65 1.567 -1.058 7.837 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.208 1.475 6.430 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.106 2.971 6.174 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.358 0.687 5.258 1.00 0.00 C ATOM 0 H VAL A 65 2.488 1.253 7.033 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.010 1.545 8.576 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.262 1.219 6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.625 3.218 5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.563 3.514 7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.943 3.255 6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.167 0.966 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.419 0.910 5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.228 -0.380 5.440 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.670 -0.989 8.065 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.808 -2.432 8.221 1.00 0.00 C ATOM 1030 C ASN A 66 -0.774 -3.132 6.866 1.00 0.00 C ATOM 1031 O ASN A 66 -1.402 -2.683 5.907 1.00 0.00 O ATOM 1032 CB ASN A 66 -2.113 -2.765 8.947 1.00 0.00 C ATOM 1033 CG ASN A 66 -2.013 -4.039 9.763 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -1.529 -4.028 10.895 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.471 -5.146 9.190 1.00 0.00 N ATOM 0 H ASN A 66 -1.550 -0.474 8.107 1.00 0.00 H new ATOM 0 HA ASN A 66 0.033 -2.790 8.816 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.382 -1.937 9.603 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.916 -2.867 8.217 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.430 -6.034 9.690 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.864 -5.108 8.250 1.00 0.00 H new ATOM 1042 N VAL A 67 -0.036 -4.236 6.795 1.00 0.00 N ATOM 1043 CA VAL A 67 0.080 -5.000 5.558 1.00 0.00 C ATOM 1044 C VAL A 67 -1.294 -5.377 5.015 1.00 0.00 C ATOM 1045 O VAL A 67 -1.526 -5.344 3.807 1.00 0.00 O ATOM 1046 CB VAL A 67 0.908 -6.282 5.766 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.385 -5.947 5.905 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.409 -7.047 6.982 1.00 0.00 C ATOM 0 H VAL A 67 0.490 -4.621 7.579 1.00 0.00 H new ATOM 0 HA VAL A 67 0.590 -4.361 4.837 1.00 0.00 H new ATOM 0 HB VAL A 67 0.786 -6.919 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.954 -6.865 6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.731 -5.446 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.530 -5.290 6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.005 -7.950 7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.499 -6.420 7.869 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.636 -7.321 6.836 1.00 0.00 H new ATOM 1058 N ASP A 68 -2.202 -5.736 5.916 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.555 -6.119 5.528 1.00 0.00 C ATOM 1060 C ASP A 68 -4.191 -5.048 4.648 1.00 0.00 C ATOM 1061 O ASP A 68 -5.138 -5.320 3.909 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.417 -6.354 6.770 1.00 0.00 C ATOM 1063 CG ASP A 68 -5.093 -5.087 7.254 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -4.537 -3.993 7.023 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -6.178 -5.189 7.864 1.00 0.00 O ATOM 0 H ASP A 68 -2.026 -5.770 6.920 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.495 -7.045 4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.176 -7.104 6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.795 -6.758 7.569 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.665 -3.831 4.731 1.00 0.00 N ATOM 1071 CA CYS A 69 -4.183 -2.718 3.943 1.00 0.00 C ATOM 1072 C CYS A 69 -3.358 -2.520 2.675 1.00 0.00 C ATOM 1073 O CYS A 69 -3.879 -2.093 1.644 1.00 0.00 O ATOM 1074 CB CYS A 69 -4.181 -1.434 4.774 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.590 -1.278 5.895 1.00 0.00 S ATOM 0 H CYS A 69 -2.880 -3.590 5.336 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.207 -2.954 3.655 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.261 -1.392 5.357 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.170 -0.578 4.100 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.623 -2.302 6.695 1.00 0.00 H new ATOM 1081 N LEU A 70 -2.070 -2.831 2.760 1.00 0.00 N ATOM 1082 CA LEU A 70 -1.172 -2.685 1.619 1.00 0.00 C ATOM 1083 C LEU A 70 -1.665 -3.504 0.430 1.00 0.00 C ATOM 1084 O LEU A 70 -2.457 -4.432 0.589 1.00 0.00 O ATOM 1085 CB LEU A 70 0.244 -3.121 2.001 1.00 0.00 C ATOM 1086 CG LEU A 70 1.017 -2.168 2.913 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.367 -2.762 3.284 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.194 -0.814 2.242 1.00 0.00 C ATOM 0 H LEU A 70 -1.624 -3.186 3.606 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.157 -1.634 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.183 -4.092 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.819 -3.262 1.086 1.00 0.00 H new ATOM 0 HG LEU A 70 0.442 -2.025 3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.903 -2.070 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.218 -3.707 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.949 -2.935 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.746 -0.149 2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.747 -0.939 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.216 -0.383 2.028 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.188 -3.154 -0.761 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.580 -3.857 -1.977 1.00 0.00 C ATOM 1102 C ARG A 71 -0.475 -3.783 -3.027 1.00 0.00 C ATOM 1103 O ARG A 71 0.214 -2.770 -3.148 1.00 0.00 O ATOM 1104 CB ARG A 71 -2.874 -3.265 -2.539 1.00 0.00 C ATOM 1105 CG ARG A 71 -4.125 -3.741 -1.819 1.00 0.00 C ATOM 1106 CD ARG A 71 -5.330 -3.754 -2.746 1.00 0.00 C ATOM 1107 NE ARG A 71 -5.473 -5.030 -3.440 1.00 0.00 N ATOM 1108 CZ ARG A 71 -5.770 -6.171 -2.828 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -5.957 -6.194 -1.515 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -5.883 -7.292 -3.529 1.00 0.00 N ATOM 0 H ARG A 71 -0.530 -2.389 -0.909 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.748 -4.904 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.822 -2.178 -2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.953 -3.523 -3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.959 -4.743 -1.422 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.326 -3.090 -0.968 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.233 -3.552 -2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.233 -2.952 -3.478 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.337 -5.047 -4.451 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.873 -5.334 -0.973 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.185 -7.071 -1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.742 -7.278 -4.539 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.111 -8.167 -3.058 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.313 -4.862 -3.784 1.00 0.00 N ATOM 1125 CA LYS A 72 0.707 -4.921 -4.825 1.00 0.00 C ATOM 1126 C LYS A 72 0.362 -3.983 -5.977 1.00 0.00 C ATOM 1127 O LYS A 72 -0.758 -3.997 -6.489 1.00 0.00 O ATOM 1128 CB LYS A 72 0.852 -6.353 -5.345 1.00 0.00 C ATOM 1129 CG LYS A 72 1.661 -7.254 -4.428 1.00 0.00 C ATOM 1130 CD LYS A 72 3.141 -7.210 -4.766 1.00 0.00 C ATOM 1131 CE LYS A 72 3.452 -8.020 -6.015 1.00 0.00 C ATOM 1132 NZ LYS A 72 4.767 -7.647 -6.606 1.00 0.00 N ATOM 0 H LYS A 72 -0.875 -5.709 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 72 1.654 -4.602 -4.390 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.140 -6.784 -5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.326 -6.328 -6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.514 -6.947 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.298 -8.279 -4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.450 -6.176 -4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.719 -7.597 -3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.453 -9.082 -5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.665 -7.865 -6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.941 -8.222 -7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.758 -6.640 -6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.521 -7.819 -5.911 1.00 0.00 H new ATOM 1146 N LEU A 73 1.332 -3.170 -6.382 1.00 0.00 N ATOM 1147 CA LEU A 73 1.132 -2.226 -7.476 1.00 0.00 C ATOM 1148 C LEU A 73 1.323 -2.909 -8.826 1.00 0.00 C ATOM 1149 O LEU A 73 2.405 -3.410 -9.131 1.00 0.00 O ATOM 1150 CB LEU A 73 2.101 -1.050 -7.344 1.00 0.00 C ATOM 1151 CG LEU A 73 1.624 0.281 -7.925 1.00 0.00 C ATOM 1152 CD1 LEU A 73 0.868 1.081 -6.876 1.00 0.00 C ATOM 1153 CD2 LEU A 73 2.802 1.081 -8.463 1.00 0.00 C ATOM 0 H LEU A 73 2.264 -3.146 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 73 0.109 -1.854 -7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.321 -0.904 -6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.038 -1.321 -7.830 1.00 0.00 H new ATOM 0 HG LEU A 73 0.945 0.072 -8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.536 2.025 -7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.002 0.512 -6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.523 1.280 -6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.444 2.025 -8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.506 1.280 -7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.301 0.511 -9.247 1.00 0.00 H new ATOM 1165 N GLU A 74 0.266 -2.923 -9.632 1.00 0.00 N ATOM 1166 CA GLU A 74 0.318 -3.543 -10.950 1.00 0.00 C ATOM 1167 C GLU A 74 0.701 -2.521 -12.017 1.00 0.00 C ATOM 1168 O GLU A 74 0.420 -1.331 -11.880 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.031 -4.176 -11.295 1.00 0.00 C ATOM 1170 CG GLU A 74 -1.238 -5.547 -10.673 1.00 0.00 C ATOM 1171 CD GLU A 74 -0.371 -6.614 -11.312 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -0.132 -6.531 -12.535 1.00 0.00 O ATOM 1173 OE2 GLU A 74 0.068 -7.533 -10.589 1.00 0.00 O ATOM 0 H GLU A 74 -0.637 -2.512 -9.395 1.00 0.00 H new ATOM 0 HA GLU A 74 1.080 -4.322 -10.927 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.829 -3.512 -10.964 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.116 -4.261 -12.378 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.017 -5.495 -9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.286 -5.831 -10.768 1.00 0.00 H new ATOM 1180 N GLU A 75 1.345 -2.996 -13.079 1.00 0.00 N ATOM 1181 CA GLU A 75 1.767 -2.124 -14.168 1.00 0.00 C ATOM 1182 C GLU A 75 0.564 -1.621 -14.961 1.00 0.00 C ATOM 1183 O GLU A 75 0.441 -0.427 -15.231 1.00 0.00 O ATOM 1184 CB GLU A 75 2.732 -2.863 -15.098 1.00 0.00 C ATOM 1185 CG GLU A 75 2.096 -4.034 -15.828 1.00 0.00 C ATOM 1186 CD GLU A 75 3.082 -4.778 -16.708 1.00 0.00 C ATOM 1187 OE1 GLU A 75 3.959 -5.477 -16.158 1.00 0.00 O ATOM 1188 OE2 GLU A 75 2.976 -4.660 -17.947 1.00 0.00 O ATOM 0 H GLU A 75 1.585 -3.979 -13.208 1.00 0.00 H new ATOM 0 HA GLU A 75 2.278 -1.265 -13.734 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.127 -2.160 -15.831 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.579 -3.225 -14.515 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.672 -4.725 -15.099 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.271 -3.671 -16.440 1.00 0.00 H new ATOM 1195 N ASN A 76 -0.320 -2.542 -15.330 1.00 0.00 N ATOM 1196 CA ASN A 76 -1.514 -2.193 -16.092 1.00 0.00 C ATOM 1197 C ASN A 76 -2.266 -1.043 -15.430 1.00 0.00 C ATOM 1198 O ASN A 76 -2.826 -0.180 -16.108 1.00 0.00 O ATOM 1199 CB ASN A 76 -2.433 -3.409 -16.225 1.00 0.00 C ATOM 1200 CG ASN A 76 -3.400 -3.532 -15.064 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -2.995 -3.771 -13.926 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -4.687 -3.368 -15.346 1.00 0.00 N ATOM 0 H ASN A 76 -0.232 -3.535 -15.114 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.200 -1.873 -17.085 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.995 -3.336 -17.156 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.828 -4.313 -16.288 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.384 -3.439 -14.605 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.978 -3.171 -16.304 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.273 -1.036 -14.101 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.956 0.009 -13.346 1.00 0.00 C ATOM 1211 C LEU A 77 -2.048 1.219 -13.147 1.00 0.00 C ATOM 1212 O LEU A 77 -2.517 2.322 -12.867 1.00 0.00 O ATOM 1213 CB LEU A 77 -3.411 -0.530 -11.989 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.645 -1.433 -12.005 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -4.987 -1.894 -10.596 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -5.827 -0.710 -12.634 1.00 0.00 C ATOM 0 H LEU A 77 -1.814 -1.741 -13.525 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.830 0.324 -13.917 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.585 -1.086 -11.546 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.614 0.317 -11.334 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.421 -2.313 -12.608 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.868 -2.536 -10.627 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.147 -2.451 -10.181 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.192 -1.026 -9.969 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.696 -1.368 -12.637 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.053 0.187 -12.058 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.580 -0.431 -13.658 1.00 0.00 H new ATOM 1228 N LYS A 78 -0.745 1.005 -13.295 1.00 0.00 N ATOM 1229 CA LYS A 78 0.230 2.077 -13.136 1.00 0.00 C ATOM 1230 C LYS A 78 0.075 3.122 -14.236 1.00 0.00 C ATOM 1231 O LYS A 78 0.047 4.323 -13.967 1.00 0.00 O ATOM 1232 CB LYS A 78 1.651 1.509 -13.154 1.00 0.00 C ATOM 1233 CG LYS A 78 2.686 2.439 -12.544 1.00 0.00 C ATOM 1234 CD LYS A 78 3.936 1.684 -12.125 1.00 0.00 C ATOM 1235 CE LYS A 78 4.934 1.579 -13.268 1.00 0.00 C ATOM 1236 NZ LYS A 78 5.863 0.429 -13.090 1.00 0.00 N ATOM 0 H LYS A 78 -0.340 0.098 -13.525 1.00 0.00 H new ATOM 0 HA LYS A 78 0.050 2.558 -12.175 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.662 0.563 -12.613 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.933 1.291 -14.184 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.951 3.212 -13.265 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.257 2.944 -11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.402 2.190 -11.280 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.662 0.685 -11.787 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.397 1.469 -14.210 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.509 2.503 -13.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.527 0.392 -13.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.394 0.546 -12.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.317 -0.456 -13.052 1.00 0.00 H new ATOM 1250 N THR A 79 -0.027 2.657 -15.477 1.00 0.00 N ATOM 1251 CA THR A 79 -0.180 3.550 -16.618 1.00 0.00 C ATOM 1252 C THR A 79 -1.410 4.437 -16.461 1.00 0.00 C ATOM 1253 O THR A 79 -1.367 5.632 -16.754 1.00 0.00 O ATOM 1254 CB THR A 79 -0.294 2.763 -17.938 1.00 0.00 C ATOM 1255 OG1 THR A 79 -0.418 3.669 -19.039 1.00 0.00 O ATOM 1256 CG2 THR A 79 -1.492 1.827 -17.907 1.00 0.00 C ATOM 0 H THR A 79 -0.006 1.666 -15.717 1.00 0.00 H new ATOM 0 HA THR A 79 0.713 4.174 -16.652 1.00 0.00 H new ATOM 0 HB THR A 79 0.610 2.166 -18.060 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.488 3.161 -19.874 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.552 1.282 -18.849 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.380 1.120 -17.085 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.404 2.407 -17.765 1.00 0.00 H new ATOM 1264 N MET A 80 -2.505 3.845 -15.997 1.00 0.00 N ATOM 1265 CA MET A 80 -3.747 4.583 -15.799 1.00 0.00 C ATOM 1266 C MET A 80 -3.592 5.621 -14.691 1.00 0.00 C ATOM 1267 O MET A 80 -3.439 5.275 -13.521 1.00 0.00 O ATOM 1268 CB MET A 80 -4.888 3.622 -15.458 1.00 0.00 C ATOM 1269 CG MET A 80 -5.551 3.009 -16.680 1.00 0.00 C ATOM 1270 SD MET A 80 -4.658 1.574 -17.309 1.00 0.00 S ATOM 1271 CE MET A 80 -5.493 0.248 -16.441 1.00 0.00 C ATOM 0 H MET A 80 -2.558 2.857 -15.751 1.00 0.00 H new ATOM 0 HA MET A 80 -3.984 5.102 -16.728 1.00 0.00 H new ATOM 0 HB2 MET A 80 -4.502 2.823 -14.825 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.640 4.155 -14.876 1.00 0.00 H new ATOM 0 HG2 MET A 80 -6.570 2.716 -16.427 1.00 0.00 H new ATOM 0 HG3 MET A 80 -5.622 3.761 -17.466 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.916 -0.672 -16.540 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.586 0.506 -15.386 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.485 0.102 -16.868 1.00 0.00 H new ATOM 1281 N GLY A 81 -3.634 6.895 -15.069 1.00 0.00 N ATOM 1282 CA GLY A 81 -3.497 7.962 -14.096 1.00 0.00 C ATOM 1283 C GLY A 81 -2.282 8.831 -14.357 1.00 0.00 C ATOM 1284 O GLY A 81 -2.127 9.383 -15.446 1.00 0.00 O ATOM 0 H GLY A 81 -3.760 7.207 -16.032 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.394 8.582 -14.112 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.425 7.532 -13.097 1.00 0.00 H new ATOM 1288 N ARG A 82 -1.419 8.955 -13.353 1.00 0.00 N ATOM 1289 CA ARG A 82 -0.214 9.766 -13.478 1.00 0.00 C ATOM 1290 C ARG A 82 0.872 9.012 -14.240 1.00 0.00 C ATOM 1291 O ARG A 82 0.868 7.781 -14.292 1.00 0.00 O ATOM 1292 CB ARG A 82 0.303 10.166 -12.095 1.00 0.00 C ATOM 1293 CG ARG A 82 1.176 11.411 -12.108 1.00 0.00 C ATOM 1294 CD ARG A 82 1.955 11.557 -10.810 1.00 0.00 C ATOM 1295 NE ARG A 82 2.925 12.647 -10.875 1.00 0.00 N ATOM 1296 CZ ARG A 82 3.479 13.202 -9.802 1.00 0.00 C ATOM 1297 NH1 ARG A 82 3.161 12.771 -8.590 1.00 0.00 N ATOM 1298 NH2 ARG A 82 4.354 14.190 -9.942 1.00 0.00 N ATOM 0 H ARG A 82 -1.532 8.504 -12.445 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.469 10.666 -14.038 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.547 10.335 -11.434 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.873 9.337 -11.676 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.870 11.362 -12.947 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.553 12.292 -12.261 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.261 11.737 -9.989 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.473 10.623 -10.591 1.00 0.00 H new ATOM 0 HE ARG A 82 3.192 13.001 -11.794 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.489 12.011 -8.479 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.588 13.199 -7.768 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.602 14.524 -10.873 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.779 14.616 -9.118 1.00 0.00 H new ATOM 1312 N LEU A 83 1.800 9.757 -14.830 1.00 0.00 N ATOM 1313 CA LEU A 83 2.893 9.160 -15.589 1.00 0.00 C ATOM 1314 C LEU A 83 4.240 9.489 -14.956 1.00 0.00 C ATOM 1315 O LEU A 83 4.404 10.536 -14.329 1.00 0.00 O ATOM 1316 CB LEU A 83 2.863 9.653 -17.037 1.00 0.00 C ATOM 1317 CG LEU A 83 1.530 9.499 -17.771 1.00 0.00 C ATOM 1318 CD1 LEU A 83 1.581 10.198 -19.121 1.00 0.00 C ATOM 1319 CD2 LEU A 83 1.183 8.028 -17.943 1.00 0.00 C ATOM 0 H LEU A 83 1.817 10.776 -14.797 1.00 0.00 H new ATOM 0 HA LEU A 83 2.762 8.078 -15.577 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.141 10.707 -17.047 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.628 9.117 -17.598 1.00 0.00 H new ATOM 0 HG LEU A 83 0.750 9.968 -17.171 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.624 10.078 -19.629 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.783 11.259 -18.974 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.372 9.759 -19.729 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.232 7.937 -18.467 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.964 7.535 -18.522 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.104 7.556 -16.964 1.00 0.00 H new ATOM 1331 N SER A 84 5.204 8.589 -15.125 1.00 0.00 N ATOM 1332 CA SER A 84 6.537 8.783 -14.568 1.00 0.00 C ATOM 1333 C SER A 84 7.589 8.812 -15.673 1.00 0.00 C ATOM 1334 O SER A 84 8.070 7.768 -16.117 1.00 0.00 O ATOM 1335 CB SER A 84 6.863 7.671 -13.569 1.00 0.00 C ATOM 1336 OG SER A 84 6.417 8.009 -12.267 1.00 0.00 O ATOM 0 H SER A 84 5.086 7.718 -15.643 1.00 0.00 H new ATOM 0 HA SER A 84 6.551 9.742 -14.051 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.392 6.741 -13.888 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.939 7.495 -13.554 1.00 0.00 H new ATOM 0 HG SER A 84 6.635 7.282 -11.647 1.00 0.00 H new ATOM 1342 N LEU A 85 7.940 10.015 -16.115 1.00 0.00 N ATOM 1343 CA LEU A 85 8.935 10.182 -17.169 1.00 0.00 C ATOM 1344 C LEU A 85 10.090 9.203 -16.988 1.00 0.00 C ATOM 1345 O LEU A 85 10.574 8.996 -15.875 1.00 0.00 O ATOM 1346 CB LEU A 85 9.464 11.617 -17.174 1.00 0.00 C ATOM 1347 CG LEU A 85 9.955 12.146 -18.522 1.00 0.00 C ATOM 1348 CD1 LEU A 85 11.001 11.214 -19.113 1.00 0.00 C ATOM 1349 CD2 LEU A 85 8.788 12.320 -19.484 1.00 0.00 C ATOM 0 H LEU A 85 7.551 10.888 -15.760 1.00 0.00 H new ATOM 0 HA LEU A 85 8.454 9.975 -18.125 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.674 12.276 -16.814 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.285 11.683 -16.460 1.00 0.00 H new ATOM 0 HG LEU A 85 10.416 13.120 -18.362 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.338 11.607 -20.072 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.849 11.141 -18.432 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.566 10.225 -19.259 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.156 12.697 -20.438 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.298 11.359 -19.639 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.074 13.029 -19.065 1.00 0.00 H new TER 1361 LEU A 85