USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 950 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 101 ASN : amide:sc= -7.7 K(o=-12,f=-23!) USER MOD Set 1.2: A 107 ASN : amide:sc= -4.54 K(o=-12,f=-14!) USER MOD Set 2.1: A 87 ASN : amide:sc= -3.88 K(o=-3.9,f=-13!) USER MOD Set 2.2: A 89 LYS NZ :NH3+ -152:sc= 0 (180deg=0) USER MOD Set 3.1: A 85 ASN : amide:sc= -7.15 K(o=-13,f=-20!) USER MOD Set 3.2: A 97 MET CE :methyl 158:sc= -6.09! (180deg=-4.72!) USER MOD Single : A 3 LYS NZ :NH3+ -171:sc= 0.483 (180deg=0.448) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.0593 X(o=-0.059,f=-0.0045) USER MOD Single : A 11 ASN : amide:sc= -2.69 K(o=-2.7,f=-4.3!) USER MOD Single : A 12 GLN : amide:sc= -2.07 K(o=-2.1,f=-1.3) USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= -3.18! (180deg=-3.32!) USER MOD Single : A 15 SER OG : rot 73:sc= 1.19 USER MOD Single : A 20 SER OG : rot 138:sc= -4.91! USER MOD Single : A 25 ASN : amide:sc= -3.12 K(o=-3.1,f=-8.3!) USER MOD Single : A 29 TYR OH : rot 108:sc= -3! USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= 1.11 (180deg=0.981) USER MOD Single : A 38 THR OG1 : rot 30:sc= -5.2! USER MOD Single : A 42 ASN : amide:sc= -2.65 K(o=-2.6,f=-5.3!) USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 0.927 (180deg=0.919) USER MOD Single : A 49 ASN : amide:sc= 0.427 K(o=0.43,f=-0.35) USER MOD Single : A 50 LYS NZ :NH3+ -124:sc= 0.988 (180deg=-1.37) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.517 USER MOD Single : A 59 ASN : amide:sc= -0.0116 K(o=-0.012,f=-5.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.1! K(o=-2.1!,f=-0.81) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0201 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 80:sc= -3.23 USER MOD Single : A 99 SER OG : rot 150:sc= -0.161 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot -170:sc= -0.936 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.035 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -11.3! C(o=-11!,f=-14!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 56:sc= -1.92 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot -141:sc= -3.7! USER MOD Single : A 127 ASN : amide:sc= -5.41! C(o=-5.4!,f=-7.5!) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD ----------------------------------------------------------------- ATOM 32 N LYS A 3 -13.331 21.313 -2.493 1.00 0.00 N ATOM 33 CA LYS A 3 -13.896 20.673 -1.310 1.00 0.00 C ATOM 34 C LYS A 3 -14.337 19.248 -1.622 1.00 0.00 C ATOM 35 O LYS A 3 -14.037 18.318 -0.875 1.00 0.00 O ATOM 36 CB LYS A 3 -15.077 21.486 -0.782 1.00 0.00 C ATOM 37 CG LYS A 3 -15.441 21.158 0.655 1.00 0.00 C ATOM 38 CD LYS A 3 -16.817 21.684 1.016 1.00 0.00 C ATOM 39 CE LYS A 3 -17.563 20.702 1.898 1.00 0.00 C ATOM 40 NZ LYS A 3 -19.026 20.979 1.930 1.00 0.00 N ATOM 0 HA LYS A 3 -13.123 20.632 -0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.840 22.547 -0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.944 21.308 -1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -15.414 20.078 0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.698 21.589 1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.721 22.640 1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.389 21.868 0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -17.394 19.688 1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.163 20.749 2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -19.476 20.387 2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.185 21.982 2.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.441 20.762 1.001 1.00 0.00 H new ATOM 54 N THR A 4 -15.051 19.087 -2.735 1.00 0.00 N ATOM 55 CA THR A 4 -15.539 17.777 -3.167 1.00 0.00 C ATOM 56 C THR A 4 -14.485 16.693 -2.949 1.00 0.00 C ATOM 57 O THR A 4 -14.817 15.537 -2.684 1.00 0.00 O ATOM 58 CB THR A 4 -15.936 17.824 -4.647 1.00 0.00 C ATOM 59 OG1 THR A 4 -17.104 18.605 -4.827 1.00 0.00 O ATOM 60 CG2 THR A 4 -16.201 16.458 -5.249 1.00 0.00 C ATOM 0 H THR A 4 -15.306 19.853 -3.358 1.00 0.00 H new ATOM 0 HA THR A 4 -16.413 17.530 -2.564 1.00 0.00 H new ATOM 0 HB THR A 4 -15.079 18.264 -5.158 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.341 18.625 -5.778 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.476 16.570 -6.298 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.302 15.846 -5.173 1.00 0.00 H new ATOM 0 HG23 THR A 4 -17.015 15.974 -4.710 1.00 0.00 H new ATOM 68 N ASN A 5 -13.215 17.078 -3.060 1.00 0.00 N ATOM 69 CA ASN A 5 -12.109 16.144 -2.872 1.00 0.00 C ATOM 70 C ASN A 5 -12.340 15.262 -1.648 1.00 0.00 C ATOM 71 O ASN A 5 -11.918 14.106 -1.616 1.00 0.00 O ATOM 72 CB ASN A 5 -10.792 16.910 -2.730 1.00 0.00 C ATOM 73 CG ASN A 5 -9.763 16.487 -3.761 1.00 0.00 C ATOM 74 OD1 ASN A 5 -8.647 16.095 -3.418 1.00 0.00 O ATOM 75 ND2 ASN A 5 -10.135 16.564 -5.034 1.00 0.00 N ATOM 0 H ASN A 5 -12.927 18.032 -3.279 1.00 0.00 H new ATOM 0 HA ASN A 5 -12.054 15.500 -3.749 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.984 17.978 -2.829 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.388 16.750 -1.730 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.486 16.292 -5.772 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.070 16.895 -5.273 1.00 0.00 H new ATOM 82 N LEU A 6 -13.024 15.811 -0.649 1.00 0.00 N ATOM 83 CA LEU A 6 -13.324 15.076 0.561 1.00 0.00 C ATOM 84 C LEU A 6 -14.417 14.062 0.293 1.00 0.00 C ATOM 85 O LEU A 6 -14.167 12.863 0.302 1.00 0.00 O ATOM 86 CB LEU A 6 -13.740 16.035 1.668 1.00 0.00 C ATOM 87 CG LEU A 6 -12.577 16.772 2.329 1.00 0.00 C ATOM 88 CD1 LEU A 6 -12.906 18.246 2.504 1.00 0.00 C ATOM 89 CD2 LEU A 6 -12.231 16.123 3.662 1.00 0.00 C ATOM 0 H LEU A 6 -13.380 16.767 -0.660 1.00 0.00 H new ATOM 0 HA LEU A 6 -12.430 14.544 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -14.433 16.769 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -14.283 15.477 2.431 1.00 0.00 H new ATOM 0 HG LEU A 6 -11.704 16.701 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -12.065 18.753 2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -13.099 18.694 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -13.791 18.349 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -11.400 16.658 4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -13.098 16.162 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -11.946 15.084 3.498 1.00 0.00 H new ATOM 101 N GLY A 7 -15.623 14.547 0.018 1.00 0.00 N ATOM 102 CA GLY A 7 -16.722 13.649 -0.285 1.00 0.00 C ATOM 103 C GLY A 7 -16.344 12.642 -1.354 1.00 0.00 C ATOM 104 O GLY A 7 -16.936 11.569 -1.449 1.00 0.00 O ATOM 0 H GLY A 7 -15.858 15.539 -0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.022 13.123 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.584 14.228 -0.618 1.00 0.00 H new ATOM 108 N GLU A 8 -15.346 12.997 -2.159 1.00 0.00 N ATOM 109 CA GLU A 8 -14.871 12.133 -3.228 1.00 0.00 C ATOM 110 C GLU A 8 -13.757 11.210 -2.738 1.00 0.00 C ATOM 111 O GLU A 8 -13.504 10.163 -3.334 1.00 0.00 O ATOM 112 CB GLU A 8 -14.366 12.982 -4.397 1.00 0.00 C ATOM 113 CG GLU A 8 -14.766 12.451 -5.764 1.00 0.00 C ATOM 114 CD GLU A 8 -16.252 12.173 -5.873 1.00 0.00 C ATOM 115 OE1 GLU A 8 -17.022 12.723 -5.057 1.00 0.00 O ATOM 116 OE2 GLU A 8 -16.648 11.404 -6.775 1.00 0.00 O ATOM 0 H GLU A 8 -14.849 13.885 -2.087 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.704 11.514 -3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.747 13.997 -4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.279 13.043 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.479 13.174 -6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.213 11.534 -5.969 1.00 0.00 H new ATOM 123 N LEU A 9 -13.091 11.596 -1.649 1.00 0.00 N ATOM 124 CA LEU A 9 -12.012 10.786 -1.097 1.00 0.00 C ATOM 125 C LEU A 9 -12.508 9.975 0.090 1.00 0.00 C ATOM 126 O LEU A 9 -12.033 8.869 0.346 1.00 0.00 O ATOM 127 CB LEU A 9 -10.845 11.668 -0.651 1.00 0.00 C ATOM 128 CG LEU A 9 -9.887 12.114 -1.756 1.00 0.00 C ATOM 129 CD1 LEU A 9 -8.789 13.000 -1.181 1.00 0.00 C ATOM 130 CD2 LEU A 9 -9.287 10.907 -2.462 1.00 0.00 C ATOM 0 H LEU A 9 -13.280 12.458 -1.137 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.670 10.110 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.250 12.557 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.273 11.127 0.103 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.449 12.693 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.115 13.309 -1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.236 13.882 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.229 12.444 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.608 11.244 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.738 10.300 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.085 10.311 -2.905 1.00 0.00 H new ATOM 142 N ILE A 10 -13.457 10.546 0.823 1.00 0.00 N ATOM 143 CA ILE A 10 -14.007 9.890 1.994 1.00 0.00 C ATOM 144 C ILE A 10 -15.021 8.820 1.619 1.00 0.00 C ATOM 145 O ILE A 10 -15.011 7.729 2.190 1.00 0.00 O ATOM 146 CB ILE A 10 -14.660 10.892 2.963 1.00 0.00 C ATOM 147 CG1 ILE A 10 -15.884 11.593 2.341 1.00 0.00 C ATOM 148 CG2 ILE A 10 -13.659 11.919 3.415 1.00 0.00 C ATOM 149 CD1 ILE A 10 -16.390 12.791 3.146 1.00 0.00 C ATOM 0 H ILE A 10 -13.859 11.462 0.624 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.164 9.416 2.497 1.00 0.00 H new ATOM 0 HB ILE A 10 -15.008 10.320 3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.627 11.926 1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -16.692 10.869 2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.139 12.619 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.833 11.422 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.278 12.462 2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -17.252 13.229 2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -16.680 12.462 4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -15.599 13.536 3.225 1.00 0.00 H new ATOM 161 N ASN A 11 -15.895 9.127 0.659 1.00 0.00 N ATOM 162 CA ASN A 11 -16.908 8.167 0.214 1.00 0.00 C ATOM 163 C ASN A 11 -16.291 6.784 0.093 1.00 0.00 C ATOM 164 O ASN A 11 -16.842 5.792 0.568 1.00 0.00 O ATOM 165 CB ASN A 11 -17.486 8.586 -1.135 1.00 0.00 C ATOM 166 CG ASN A 11 -18.664 9.522 -0.995 1.00 0.00 C ATOM 167 OD1 ASN A 11 -19.261 9.636 0.075 1.00 0.00 O ATOM 168 ND2 ASN A 11 -19.004 10.200 -2.082 1.00 0.00 N ATOM 0 H ASN A 11 -15.923 10.026 0.177 1.00 0.00 H new ATOM 0 HA ASN A 11 -17.711 8.145 0.951 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -16.708 9.072 -1.725 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -17.795 7.698 -1.686 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -19.790 10.849 -2.053 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -18.479 10.073 -2.947 1.00 0.00 H new ATOM 175 N GLN A 12 -15.129 6.746 -0.538 1.00 0.00 N ATOM 176 CA GLN A 12 -14.395 5.505 -0.723 1.00 0.00 C ATOM 177 C GLN A 12 -13.680 5.115 0.565 1.00 0.00 C ATOM 178 O GLN A 12 -13.544 3.934 0.875 1.00 0.00 O ATOM 179 CB GLN A 12 -13.375 5.656 -1.853 1.00 0.00 C ATOM 180 CG GLN A 12 -12.269 6.652 -1.534 1.00 0.00 C ATOM 181 CD GLN A 12 -11.257 6.784 -2.654 1.00 0.00 C ATOM 182 OE1 GLN A 12 -11.185 5.940 -3.546 1.00 0.00 O ATOM 183 NE2 GLN A 12 -10.467 7.849 -2.608 1.00 0.00 N ATOM 0 H GLN A 12 -14.671 7.567 -0.933 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.105 4.721 -0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.930 4.684 -2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.891 5.974 -2.759 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.712 7.628 -1.334 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.758 6.341 -0.623 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.563 8.523 -1.848 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.764 7.994 -3.332 1.00 0.00 H new ATOM 192 N GLY A 13 -13.224 6.119 1.309 1.00 0.00 N ATOM 193 CA GLY A 13 -12.525 5.862 2.554 1.00 0.00 C ATOM 194 C GLY A 13 -13.340 5.023 3.518 1.00 0.00 C ATOM 195 O GLY A 13 -12.979 3.886 3.820 1.00 0.00 O ATOM 0 H GLY A 13 -13.327 7.106 1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.585 5.353 2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.273 6.811 3.027 1.00 0.00 H new ATOM 199 N LYS A 14 -14.442 5.585 4.002 1.00 0.00 N ATOM 200 CA LYS A 14 -15.308 4.872 4.940 1.00 0.00 C ATOM 201 C LYS A 14 -15.815 3.573 4.320 1.00 0.00 C ATOM 202 O LYS A 14 -16.102 2.607 5.027 1.00 0.00 O ATOM 203 CB LYS A 14 -16.491 5.742 5.404 1.00 0.00 C ATOM 204 CG LYS A 14 -16.830 6.907 4.485 1.00 0.00 C ATOM 205 CD LYS A 14 -16.202 8.212 4.974 1.00 0.00 C ATOM 206 CE LYS A 14 -16.838 9.425 4.307 1.00 0.00 C ATOM 207 NZ LYS A 14 -18.272 9.572 4.677 1.00 0.00 N ATOM 0 H LYS A 14 -14.757 6.525 3.764 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.709 4.635 5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -17.372 5.108 5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.267 6.134 6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.479 6.689 3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.912 7.023 4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.317 8.289 6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.132 8.202 4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.294 10.325 4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.750 9.332 3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.664 10.418 4.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.799 8.732 4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.356 9.669 5.709 1.00 0.00 H new ATOM 221 N SER A 15 -15.901 3.548 2.992 1.00 0.00 N ATOM 222 CA SER A 15 -16.348 2.358 2.278 1.00 0.00 C ATOM 223 C SER A 15 -15.209 1.344 2.184 1.00 0.00 C ATOM 224 O SER A 15 -15.439 0.141 2.062 1.00 0.00 O ATOM 225 CB SER A 15 -16.837 2.726 0.878 1.00 0.00 C ATOM 226 OG SER A 15 -17.956 3.594 0.940 1.00 0.00 O ATOM 0 H SER A 15 -15.667 4.338 2.391 1.00 0.00 H new ATOM 0 HA SER A 15 -17.176 1.913 2.830 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.031 3.206 0.322 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.105 1.821 0.333 1.00 0.00 H new ATOM 0 HG SER A 15 -17.663 4.486 1.223 1.00 0.00 H new ATOM 232 N LEU A 16 -13.980 1.848 2.261 1.00 0.00 N ATOM 233 CA LEU A 16 -12.793 1.015 2.207 1.00 0.00 C ATOM 234 C LEU A 16 -12.628 0.301 3.540 1.00 0.00 C ATOM 235 O LEU A 16 -12.749 -0.919 3.619 1.00 0.00 O ATOM 236 CB LEU A 16 -11.573 1.892 1.908 1.00 0.00 C ATOM 237 CG LEU A 16 -10.337 1.174 1.360 1.00 0.00 C ATOM 238 CD1 LEU A 16 -9.299 2.192 0.886 1.00 0.00 C ATOM 239 CD2 LEU A 16 -9.740 0.246 2.411 1.00 0.00 C ATOM 0 H LEU A 16 -13.784 2.844 2.362 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.889 0.270 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -11.870 2.657 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.290 2.408 2.826 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.641 0.566 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.425 1.668 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.729 2.811 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.001 2.824 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.863 -0.253 1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.449 0.827 3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.480 -0.500 2.700 1.00 0.00 H new ATOM 251 N LEU A 17 -12.386 1.081 4.594 1.00 0.00 N ATOM 252 CA LEU A 17 -12.236 0.546 5.939 1.00 0.00 C ATOM 253 C LEU A 17 -13.353 -0.449 6.247 1.00 0.00 C ATOM 254 O LEU A 17 -13.131 -1.463 6.909 1.00 0.00 O ATOM 255 CB LEU A 17 -12.268 1.697 6.949 1.00 0.00 C ATOM 256 CG LEU A 17 -11.121 1.721 7.961 1.00 0.00 C ATOM 257 CD1 LEU A 17 -9.926 2.492 7.405 1.00 0.00 C ATOM 258 CD2 LEU A 17 -11.598 2.333 9.270 1.00 0.00 C ATOM 0 H LEU A 17 -12.290 2.095 4.536 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.282 0.024 6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.264 2.639 6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.210 1.651 7.496 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.799 0.697 8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.122 2.497 8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.578 2.013 6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.224 3.517 7.187 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.776 2.347 9.986 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.941 3.352 9.092 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.419 1.739 9.672 1.00 0.00 H new ATOM 270 N ASP A 18 -14.557 -0.149 5.759 1.00 0.00 N ATOM 271 CA ASP A 18 -15.711 -1.015 5.981 1.00 0.00 C ATOM 272 C ASP A 18 -15.646 -2.266 5.106 1.00 0.00 C ATOM 273 O ASP A 18 -16.190 -3.311 5.462 1.00 0.00 O ATOM 274 CB ASP A 18 -17.006 -0.251 5.700 1.00 0.00 C ATOM 275 CG ASP A 18 -17.456 0.580 6.886 1.00 0.00 C ATOM 276 OD1 ASP A 18 -17.412 0.066 8.023 1.00 0.00 O ATOM 277 OD2 ASP A 18 -17.853 1.746 6.676 1.00 0.00 O ATOM 0 H ASP A 18 -14.757 0.686 5.208 1.00 0.00 H new ATOM 0 HA ASP A 18 -15.695 -1.330 7.024 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -16.861 0.400 4.838 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -17.792 -0.959 5.436 1.00 0.00 H new ATOM 282 N GLU A 19 -14.977 -2.154 3.963 1.00 0.00 N ATOM 283 CA GLU A 19 -14.840 -3.277 3.041 1.00 0.00 C ATOM 284 C GLU A 19 -13.450 -3.903 3.143 1.00 0.00 C ATOM 285 O GLU A 19 -13.116 -4.822 2.395 1.00 0.00 O ATOM 286 CB GLU A 19 -15.100 -2.818 1.604 1.00 0.00 C ATOM 287 CG GLU A 19 -16.574 -2.643 1.280 1.00 0.00 C ATOM 288 CD GLU A 19 -17.362 -3.929 1.433 1.00 0.00 C ATOM 289 OE1 GLU A 19 -17.850 -4.197 2.550 1.00 0.00 O ATOM 290 OE2 GLU A 19 -17.489 -4.669 0.434 1.00 0.00 O ATOM 0 H GLU A 19 -14.521 -1.296 3.652 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.578 -4.031 3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -14.584 -1.873 1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.669 -3.545 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.998 -1.882 1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.677 -2.278 0.258 1.00 0.00 H new ATOM 297 N SER A 20 -12.646 -3.401 4.075 1.00 0.00 N ATOM 298 CA SER A 20 -11.302 -3.903 4.284 1.00 0.00 C ATOM 299 C SER A 20 -11.096 -4.233 5.747 1.00 0.00 C ATOM 300 O SER A 20 -10.835 -3.347 6.559 1.00 0.00 O ATOM 301 CB SER A 20 -10.273 -2.862 3.866 1.00 0.00 C ATOM 302 OG SER A 20 -10.630 -1.584 4.355 1.00 0.00 O ATOM 0 H SER A 20 -12.910 -2.640 4.700 1.00 0.00 H new ATOM 0 HA SER A 20 -11.175 -4.801 3.679 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.290 -3.141 4.246 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.198 -2.833 2.779 1.00 0.00 H new ATOM 0 HG SER A 20 -9.831 -1.128 4.693 1.00 0.00 H new ATOM 308 N VAL A 21 -11.218 -5.500 6.087 1.00 0.00 N ATOM 309 CA VAL A 21 -11.040 -5.910 7.466 1.00 0.00 C ATOM 310 C VAL A 21 -9.630 -6.419 7.710 1.00 0.00 C ATOM 311 O VAL A 21 -8.991 -6.970 6.818 1.00 0.00 O ATOM 312 CB VAL A 21 -12.055 -6.991 7.893 1.00 0.00 C ATOM 313 CG1 VAL A 21 -13.356 -6.864 7.112 1.00 0.00 C ATOM 314 CG2 VAL A 21 -11.470 -8.388 7.748 1.00 0.00 C ATOM 0 H VAL A 21 -11.437 -6.255 5.437 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.214 -5.021 8.073 1.00 0.00 H new ATOM 0 HB VAL A 21 -12.279 -6.831 8.948 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -14.051 -7.639 7.435 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.796 -5.883 7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.154 -6.979 6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.210 -9.126 8.057 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.197 -8.562 6.707 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.584 -8.478 8.376 1.00 0.00 H new ATOM 324 N GLU A 22 -9.166 -6.241 8.930 1.00 0.00 N ATOM 325 CA GLU A 22 -7.838 -6.694 9.312 1.00 0.00 C ATOM 326 C GLU A 22 -7.855 -8.195 9.593 1.00 0.00 C ATOM 327 O GLU A 22 -8.425 -8.642 10.587 1.00 0.00 O ATOM 328 CB GLU A 22 -7.358 -5.943 10.555 1.00 0.00 C ATOM 329 CG GLU A 22 -8.264 -6.121 11.762 1.00 0.00 C ATOM 330 CD GLU A 22 -7.671 -7.046 12.806 1.00 0.00 C ATOM 331 OE1 GLU A 22 -6.441 -6.992 13.018 1.00 0.00 O ATOM 332 OE2 GLU A 22 -8.436 -7.826 13.412 1.00 0.00 O ATOM 0 H GLU A 22 -9.688 -5.785 9.678 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.153 -6.492 8.489 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.355 -6.285 10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.283 -4.881 10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.458 -5.148 12.213 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.225 -6.518 11.435 1.00 0.00 H new ATOM 339 N GLY A 23 -7.227 -8.965 8.713 1.00 0.00 N ATOM 340 CA GLY A 23 -7.183 -10.405 8.885 1.00 0.00 C ATOM 341 C GLY A 23 -5.770 -10.946 8.830 1.00 0.00 C ATOM 342 O GLY A 23 -5.061 -10.954 9.836 1.00 0.00 O ATOM 0 H GLY A 23 -6.747 -8.618 7.883 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.634 -10.669 9.842 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.782 -10.880 8.108 1.00 0.00 H new ATOM 346 N PHE A 24 -5.357 -11.399 7.650 1.00 0.00 N ATOM 347 CA PHE A 24 -4.016 -11.942 7.464 1.00 0.00 C ATOM 348 C PHE A 24 -3.871 -12.580 6.086 1.00 0.00 C ATOM 349 O PHE A 24 -3.275 -13.649 5.946 1.00 0.00 O ATOM 350 CB PHE A 24 -3.696 -12.975 8.550 1.00 0.00 C ATOM 351 CG PHE A 24 -4.843 -13.894 8.867 1.00 0.00 C ATOM 352 CD1 PHE A 24 -5.218 -14.886 7.976 1.00 0.00 C ATOM 353 CD2 PHE A 24 -5.545 -13.762 10.054 1.00 0.00 C ATOM 354 CE1 PHE A 24 -6.272 -15.732 8.265 1.00 0.00 C ATOM 355 CE2 PHE A 24 -6.600 -14.605 10.348 1.00 0.00 C ATOM 356 CZ PHE A 24 -6.964 -15.592 9.452 1.00 0.00 C ATOM 0 H PHE A 24 -5.932 -11.401 6.808 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.310 -11.116 7.541 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.841 -13.572 8.231 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.398 -12.453 9.459 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.681 -15.000 7.046 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.265 -12.992 10.757 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.554 -16.502 7.563 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.139 -14.492 11.277 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.788 -16.252 9.679 1.00 0.00 H new ATOM 366 N ASN A 25 -4.417 -11.922 5.068 1.00 0.00 N ATOM 367 CA ASN A 25 -4.339 -12.438 3.703 1.00 0.00 C ATOM 368 C ASN A 25 -4.875 -11.426 2.697 1.00 0.00 C ATOM 369 O ASN A 25 -5.451 -10.407 3.077 1.00 0.00 O ATOM 370 CB ASN A 25 -5.119 -13.749 3.588 1.00 0.00 C ATOM 371 CG ASN A 25 -6.520 -13.639 4.157 1.00 0.00 C ATOM 372 OD1 ASN A 25 -6.711 -13.183 5.284 1.00 0.00 O ATOM 373 ND2 ASN A 25 -7.510 -14.058 3.377 1.00 0.00 N ATOM 0 H ASN A 25 -4.915 -11.037 5.160 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.289 -12.622 3.475 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.177 -14.043 2.540 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.578 -14.538 4.111 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.474 -14.009 3.706 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.306 -14.429 2.449 1.00 0.00 H new ATOM 380 N VAL A 26 -4.686 -11.714 1.409 1.00 0.00 N ATOM 381 CA VAL A 26 -5.156 -10.824 0.351 1.00 0.00 C ATOM 382 C VAL A 26 -6.623 -10.464 0.566 1.00 0.00 C ATOM 383 O VAL A 26 -7.512 -11.302 0.410 1.00 0.00 O ATOM 384 CB VAL A 26 -4.976 -11.454 -1.045 1.00 0.00 C ATOM 385 CG1 VAL A 26 -5.824 -12.709 -1.188 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.313 -10.444 -2.133 1.00 0.00 C ATOM 0 H VAL A 26 -4.212 -12.554 1.076 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.551 -9.919 0.397 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.931 -11.742 -1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.680 -13.135 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.526 -13.438 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.875 -12.455 -1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.180 -10.906 -3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.348 -10.121 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.652 -9.582 -2.046 1.00 0.00 H new ATOM 396 N GLY A 27 -6.861 -9.219 0.952 1.00 0.00 N ATOM 397 CA GLY A 27 -8.211 -8.764 1.215 1.00 0.00 C ATOM 398 C GLY A 27 -8.355 -8.261 2.636 1.00 0.00 C ATOM 399 O GLY A 27 -9.178 -7.391 2.919 1.00 0.00 O ATOM 0 H GLY A 27 -6.139 -8.512 1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.471 -7.968 0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.912 -9.581 1.043 1.00 0.00 H new ATOM 403 N GLU A 28 -7.532 -8.806 3.529 1.00 0.00 N ATOM 404 CA GLU A 28 -7.539 -8.412 4.927 1.00 0.00 C ATOM 405 C GLU A 28 -6.132 -8.048 5.371 1.00 0.00 C ATOM 406 O GLU A 28 -5.170 -8.751 5.068 1.00 0.00 O ATOM 407 CB GLU A 28 -8.107 -9.531 5.803 1.00 0.00 C ATOM 408 CG GLU A 28 -9.298 -10.246 5.184 1.00 0.00 C ATOM 409 CD GLU A 28 -8.907 -11.534 4.486 1.00 0.00 C ATOM 410 OE1 GLU A 28 -8.135 -11.467 3.507 1.00 0.00 O ATOM 411 OE2 GLU A 28 -9.372 -12.608 4.919 1.00 0.00 O ATOM 0 H GLU A 28 -6.848 -9.528 3.302 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.180 -7.538 5.039 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.321 -10.259 6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.405 -9.112 6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.029 -10.466 5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.784 -9.582 4.469 1.00 0.00 H new ATOM 418 N TYR A 29 -6.018 -6.930 6.070 1.00 0.00 N ATOM 419 CA TYR A 29 -4.723 -6.443 6.533 1.00 0.00 C ATOM 420 C TYR A 29 -4.458 -6.826 7.985 1.00 0.00 C ATOM 421 O TYR A 29 -5.292 -7.444 8.639 1.00 0.00 O ATOM 422 CB TYR A 29 -4.670 -4.928 6.383 1.00 0.00 C ATOM 423 CG TYR A 29 -5.563 -4.220 7.361 1.00 0.00 C ATOM 424 CD1 TYR A 29 -6.920 -4.066 7.102 1.00 0.00 C ATOM 425 CD2 TYR A 29 -5.054 -3.720 8.549 1.00 0.00 C ATOM 426 CE1 TYR A 29 -7.743 -3.431 7.999 1.00 0.00 C ATOM 427 CE2 TYR A 29 -5.879 -3.083 9.455 1.00 0.00 C ATOM 428 CZ TYR A 29 -7.220 -2.941 9.173 1.00 0.00 C ATOM 429 OH TYR A 29 -8.044 -2.310 10.069 1.00 0.00 O ATOM 0 H TYR A 29 -6.808 -6.339 6.331 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.950 -6.909 5.922 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.644 -4.588 6.522 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.961 -4.657 5.368 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.333 -4.452 6.182 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.002 -3.830 8.768 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.795 -3.317 7.784 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.475 -2.698 10.380 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.181 -2.886 10.850 1.00 0.00 H new ATOM 439 N HIS A 30 -3.285 -6.452 8.485 1.00 0.00 N ATOM 440 CA HIS A 30 -2.921 -6.760 9.865 1.00 0.00 C ATOM 441 C HIS A 30 -2.722 -5.488 10.691 1.00 0.00 C ATOM 442 O HIS A 30 -1.592 -5.086 10.970 1.00 0.00 O ATOM 443 CB HIS A 30 -1.657 -7.620 9.901 1.00 0.00 C ATOM 444 CG HIS A 30 -1.745 -8.771 10.853 1.00 0.00 C ATOM 445 ND1 HIS A 30 -1.604 -8.632 12.219 1.00 0.00 N ATOM 446 CD2 HIS A 30 -1.960 -10.090 10.633 1.00 0.00 C ATOM 447 CE1 HIS A 30 -1.728 -9.814 12.795 1.00 0.00 C ATOM 448 NE2 HIS A 30 -1.945 -10.715 11.856 1.00 0.00 N ATOM 0 H HIS A 30 -2.575 -5.940 7.962 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.745 -7.319 10.309 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.458 -8.002 8.900 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -0.809 -6.994 10.178 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.115 -10.562 9.674 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -1.663 -10.010 13.855 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -2.080 -11.714 12.013 1.00 0.00 H new ATOM 457 N LYS A 31 -3.831 -4.869 11.092 1.00 0.00 N ATOM 458 CA LYS A 31 -3.791 -3.651 11.901 1.00 0.00 C ATOM 459 C LYS A 31 -3.062 -2.517 11.182 1.00 0.00 C ATOM 460 O LYS A 31 -2.185 -2.756 10.354 1.00 0.00 O ATOM 461 CB LYS A 31 -3.110 -3.933 13.242 1.00 0.00 C ATOM 462 CG LYS A 31 -3.711 -3.159 14.403 1.00 0.00 C ATOM 463 CD LYS A 31 -3.599 -3.934 15.706 1.00 0.00 C ATOM 464 CE LYS A 31 -2.413 -3.465 16.534 1.00 0.00 C ATOM 465 NZ LYS A 31 -1.177 -4.235 16.218 1.00 0.00 N ATOM 0 H LYS A 31 -4.772 -5.192 10.869 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.820 -3.335 12.070 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.174 -5.000 13.455 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.051 -3.687 13.161 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.203 -2.200 14.504 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.759 -2.944 14.195 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.516 -3.813 16.282 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.495 -4.997 15.490 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.238 -2.405 16.350 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.646 -3.570 17.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.391 -3.886 16.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.336 -5.243 16.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.940 -4.114 15.212 1.00 0.00 H new ATOM 479 N GLY A 32 -3.427 -1.280 11.515 1.00 0.00 N ATOM 480 CA GLY A 32 -2.790 -0.125 10.903 1.00 0.00 C ATOM 481 C GLY A 32 -3.687 0.597 9.911 1.00 0.00 C ATOM 482 O GLY A 32 -3.471 1.772 9.615 1.00 0.00 O ATOM 0 H GLY A 32 -4.152 -1.057 12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.488 0.572 11.685 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.881 -0.446 10.394 1.00 0.00 H new ATOM 486 N ALA A 33 -4.683 -0.107 9.389 1.00 0.00 N ATOM 487 CA ALA A 33 -5.604 0.472 8.415 1.00 0.00 C ATOM 488 C ALA A 33 -6.794 1.151 9.092 1.00 0.00 C ATOM 489 O ALA A 33 -6.977 2.363 8.976 1.00 0.00 O ATOM 490 CB ALA A 33 -6.084 -0.607 7.460 1.00 0.00 C ATOM 0 H ALA A 33 -4.875 -1.081 9.623 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.067 1.239 7.858 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.771 -0.171 6.735 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.229 -1.037 6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.596 -1.388 8.022 1.00 0.00 H new ATOM 496 N LYS A 34 -7.609 0.352 9.780 1.00 0.00 N ATOM 497 CA LYS A 34 -8.809 0.840 10.477 1.00 0.00 C ATOM 498 C LYS A 34 -8.632 2.231 11.113 1.00 0.00 C ATOM 499 O LYS A 34 -9.614 2.932 11.345 1.00 0.00 O ATOM 500 CB LYS A 34 -9.222 -0.150 11.574 1.00 0.00 C ATOM 501 CG LYS A 34 -10.720 -0.398 11.648 1.00 0.00 C ATOM 502 CD LYS A 34 -11.121 -1.665 10.907 1.00 0.00 C ATOM 503 CE LYS A 34 -11.758 -1.356 9.559 1.00 0.00 C ATOM 504 NZ LYS A 34 -13.075 -2.035 9.402 1.00 0.00 N ATOM 0 H LYS A 34 -7.460 -0.653 9.873 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.582 0.926 9.713 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.715 -1.099 11.403 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.878 0.226 12.537 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.024 -0.476 12.692 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.251 0.454 11.224 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.242 -2.292 10.758 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.821 -2.236 11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.890 -0.279 9.457 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.088 -1.672 8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.374 -1.986 8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.989 -3.031 9.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.783 -1.562 10.000 1.00 0.00 H new ATOM 518 N ASP A 35 -7.398 2.621 11.429 1.00 0.00 N ATOM 519 CA ASP A 35 -7.159 3.917 12.065 1.00 0.00 C ATOM 520 C ASP A 35 -6.875 5.027 11.049 1.00 0.00 C ATOM 521 O ASP A 35 -7.691 5.921 10.868 1.00 0.00 O ATOM 522 CB ASP A 35 -5.995 3.812 13.048 1.00 0.00 C ATOM 523 CG ASP A 35 -6.154 2.651 14.011 1.00 0.00 C ATOM 524 OD1 ASP A 35 -6.178 1.492 13.544 1.00 0.00 O ATOM 525 OD2 ASP A 35 -6.253 2.899 15.230 1.00 0.00 O ATOM 0 H ASP A 35 -6.558 2.068 11.258 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.073 4.185 12.595 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.064 3.695 12.493 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.915 4.741 13.613 1.00 0.00 H new ATOM 530 N GLY A 36 -5.711 4.971 10.407 1.00 0.00 N ATOM 531 CA GLY A 36 -5.326 5.986 9.434 1.00 0.00 C ATOM 532 C GLY A 36 -6.441 6.368 8.480 1.00 0.00 C ATOM 533 O GLY A 36 -7.042 7.433 8.617 1.00 0.00 O ATOM 0 H GLY A 36 -5.020 4.234 10.544 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.992 6.878 9.965 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.476 5.621 8.858 1.00 0.00 H new ATOM 537 N LEU A 37 -6.711 5.503 7.506 1.00 0.00 N ATOM 538 CA LEU A 37 -7.754 5.753 6.515 1.00 0.00 C ATOM 539 C LEU A 37 -9.034 6.291 7.158 1.00 0.00 C ATOM 540 O LEU A 37 -9.827 6.964 6.507 1.00 0.00 O ATOM 541 CB LEU A 37 -8.044 4.470 5.740 1.00 0.00 C ATOM 542 CG LEU A 37 -9.381 4.429 4.993 1.00 0.00 C ATOM 543 CD1 LEU A 37 -9.636 5.729 4.250 1.00 0.00 C ATOM 544 CD2 LEU A 37 -9.400 3.263 4.026 1.00 0.00 C ATOM 0 H LEU A 37 -6.219 4.618 7.382 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.392 6.519 5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.242 4.315 5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.013 3.632 6.437 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.176 4.299 5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.592 5.669 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.660 6.555 4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.839 5.897 3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.354 3.242 3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.590 3.375 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.269 2.331 4.577 1.00 0.00 H new ATOM 556 N THR A 38 -9.235 6.003 8.434 1.00 0.00 N ATOM 557 CA THR A 38 -10.414 6.487 9.132 1.00 0.00 C ATOM 558 C THR A 38 -10.089 7.795 9.835 1.00 0.00 C ATOM 559 O THR A 38 -10.903 8.713 9.872 1.00 0.00 O ATOM 560 CB THR A 38 -10.922 5.419 10.103 1.00 0.00 C ATOM 561 OG1 THR A 38 -12.183 4.933 9.688 1.00 0.00 O ATOM 562 CG2 THR A 38 -11.069 5.866 11.538 1.00 0.00 C ATOM 0 H THR A 38 -8.602 5.441 9.003 1.00 0.00 H new ATOM 0 HA THR A 38 -11.215 6.684 8.419 1.00 0.00 H new ATOM 0 HB THR A 38 -10.147 4.653 10.077 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.250 4.988 8.712 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.435 5.036 12.142 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.101 6.193 11.918 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.778 6.693 11.591 1.00 0.00 H new ATOM 570 N VAL A 39 -8.874 7.883 10.361 1.00 0.00 N ATOM 571 CA VAL A 39 -8.413 9.088 11.029 1.00 0.00 C ATOM 572 C VAL A 39 -8.560 10.260 10.077 1.00 0.00 C ATOM 573 O VAL A 39 -8.891 11.376 10.479 1.00 0.00 O ATOM 574 CB VAL A 39 -6.948 8.930 11.483 1.00 0.00 C ATOM 575 CG1 VAL A 39 -6.315 10.265 11.840 1.00 0.00 C ATOM 576 CG2 VAL A 39 -6.884 7.973 12.659 1.00 0.00 C ATOM 0 H VAL A 39 -8.188 7.128 10.336 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.015 9.267 11.920 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.376 8.522 10.650 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.283 10.106 12.154 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.332 10.920 10.969 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.875 10.727 12.653 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.849 7.861 12.981 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.479 8.368 13.482 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.278 7.002 12.360 1.00 0.00 H new ATOM 586 N GLU A 40 -8.361 9.971 8.798 1.00 0.00 N ATOM 587 CA GLU A 40 -8.520 10.964 7.760 1.00 0.00 C ATOM 588 C GLU A 40 -10.007 11.222 7.565 1.00 0.00 C ATOM 589 O GLU A 40 -10.416 12.339 7.284 1.00 0.00 O ATOM 590 CB GLU A 40 -7.897 10.472 6.455 1.00 0.00 C ATOM 591 CG GLU A 40 -8.392 9.097 6.051 1.00 0.00 C ATOM 592 CD GLU A 40 -8.643 8.970 4.559 1.00 0.00 C ATOM 593 OE1 GLU A 40 -7.670 9.031 3.780 1.00 0.00 O ATOM 594 OE2 GLU A 40 -9.819 8.808 4.169 1.00 0.00 O ATOM 0 H GLU A 40 -8.087 9.049 8.459 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.016 11.886 8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.122 11.183 5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.813 10.446 6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.659 8.350 6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.314 8.877 6.589 1.00 0.00 H new ATOM 601 N ILE A 41 -10.808 10.163 7.744 1.00 0.00 N ATOM 602 CA ILE A 41 -12.258 10.249 7.615 1.00 0.00 C ATOM 603 C ILE A 41 -12.844 11.011 8.793 1.00 0.00 C ATOM 604 O ILE A 41 -13.452 12.067 8.612 1.00 0.00 O ATOM 605 CB ILE A 41 -12.908 8.851 7.536 1.00 0.00 C ATOM 606 CG1 ILE A 41 -12.532 8.166 6.224 1.00 0.00 C ATOM 607 CG2 ILE A 41 -14.423 8.948 7.664 1.00 0.00 C ATOM 608 CD1 ILE A 41 -12.862 6.691 6.203 1.00 0.00 C ATOM 0 H ILE A 41 -10.466 9.231 7.980 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.473 10.779 6.687 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.533 8.254 8.367 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.052 8.659 5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.464 8.295 6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.858 7.950 7.605 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.679 9.400 8.622 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.818 9.564 6.856 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.569 6.266 5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.321 6.186 7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.934 6.556 6.348 1.00 0.00 H new ATOM 620 N ASN A 42 -12.646 10.487 10.007 1.00 0.00 N ATOM 621 CA ASN A 42 -13.148 11.155 11.203 1.00 0.00 C ATOM 622 C ASN A 42 -12.814 12.639 11.131 1.00 0.00 C ATOM 623 O ASN A 42 -13.594 13.491 11.552 1.00 0.00 O ATOM 624 CB ASN A 42 -12.532 10.547 12.467 1.00 0.00 C ATOM 625 CG ASN A 42 -12.528 9.032 12.448 1.00 0.00 C ATOM 626 OD1 ASN A 42 -13.249 8.405 11.672 1.00 0.00 O ATOM 627 ND2 ASN A 42 -11.711 8.436 13.309 1.00 0.00 N ATOM 0 H ASN A 42 -12.148 9.614 10.182 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.229 11.021 11.250 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.509 10.907 12.576 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.087 10.893 13.339 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.663 7.418 13.346 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.131 8.997 13.934 1.00 0.00 H new ATOM 634 N LYS A 43 -11.637 12.929 10.581 1.00 0.00 N ATOM 635 CA LYS A 43 -11.176 14.307 10.434 1.00 0.00 C ATOM 636 C LYS A 43 -11.632 14.924 9.104 1.00 0.00 C ATOM 637 O LYS A 43 -11.721 16.147 8.984 1.00 0.00 O ATOM 638 CB LYS A 43 -9.652 14.366 10.536 1.00 0.00 C ATOM 639 CG LYS A 43 -9.140 15.586 11.284 1.00 0.00 C ATOM 640 CD LYS A 43 -7.621 15.645 11.276 1.00 0.00 C ATOM 641 CE LYS A 43 -7.101 16.380 10.052 1.00 0.00 C ATOM 642 NZ LYS A 43 -6.740 17.791 10.362 1.00 0.00 N ATOM 0 H LYS A 43 -10.985 12.228 10.230 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.620 14.889 11.242 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.294 13.466 11.037 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.228 14.361 9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.543 16.490 10.828 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.499 15.561 12.313 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.270 16.145 12.179 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.216 14.633 11.294 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.227 15.860 9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.859 16.363 9.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.406 18.262 9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.576 18.291 10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.986 17.807 11.078 1.00 0.00 H new ATOM 656 N ALA A 44 -11.914 14.083 8.107 1.00 0.00 N ATOM 657 CA ALA A 44 -12.351 14.567 6.797 1.00 0.00 C ATOM 658 C ALA A 44 -13.843 14.841 6.784 1.00 0.00 C ATOM 659 O ALA A 44 -14.275 15.958 6.506 1.00 0.00 O ATOM 660 CB ALA A 44 -12.005 13.565 5.707 1.00 0.00 C ATOM 0 H ALA A 44 -11.848 13.068 8.181 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.823 15.500 6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.340 13.947 4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -10.926 13.412 5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.501 12.617 5.914 1.00 0.00 H new ATOM 666 N GLU A 45 -14.631 13.815 7.082 1.00 0.00 N ATOM 667 CA GLU A 45 -16.080 13.950 7.104 1.00 0.00 C ATOM 668 C GLU A 45 -16.495 15.157 7.928 1.00 0.00 C ATOM 669 O GLU A 45 -17.368 15.928 7.528 1.00 0.00 O ATOM 670 CB GLU A 45 -16.719 12.684 7.659 1.00 0.00 C ATOM 671 CG GLU A 45 -17.137 11.723 6.569 1.00 0.00 C ATOM 672 CD GLU A 45 -18.499 12.065 5.997 1.00 0.00 C ATOM 673 OE1 GLU A 45 -18.614 13.109 5.323 1.00 0.00 O ATOM 674 OE2 GLU A 45 -19.450 11.287 6.225 1.00 0.00 O ATOM 0 H GLU A 45 -14.290 12.881 7.311 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.427 14.099 6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.015 12.188 8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.590 12.952 8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.395 11.737 5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.156 10.709 6.968 1.00 0.00 H new ATOM 681 N GLU A 46 -15.844 15.332 9.071 1.00 0.00 N ATOM 682 CA GLU A 46 -16.127 16.466 9.936 1.00 0.00 C ATOM 683 C GLU A 46 -15.885 17.765 9.179 1.00 0.00 C ATOM 684 O GLU A 46 -16.425 18.811 9.533 1.00 0.00 O ATOM 685 CB GLU A 46 -15.252 16.416 11.190 1.00 0.00 C ATOM 686 CG GLU A 46 -15.826 15.547 12.297 1.00 0.00 C ATOM 687 CD GLU A 46 -15.380 15.991 13.676 1.00 0.00 C ATOM 688 OE1 GLU A 46 -14.355 16.698 13.770 1.00 0.00 O ATOM 689 OE2 GLU A 46 -16.057 15.632 14.664 1.00 0.00 O ATOM 0 H GLU A 46 -15.119 14.704 9.418 1.00 0.00 H new ATOM 0 HA GLU A 46 -17.172 16.420 10.243 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -14.265 16.041 10.920 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.115 17.429 11.568 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.915 15.571 12.246 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -15.522 14.513 12.136 1.00 0.00 H new ATOM 696 N VAL A 47 -15.075 17.680 8.122 1.00 0.00 N ATOM 697 CA VAL A 47 -14.765 18.834 7.296 1.00 0.00 C ATOM 698 C VAL A 47 -15.664 18.868 6.060 1.00 0.00 C ATOM 699 O VAL A 47 -16.161 19.926 5.672 1.00 0.00 O ATOM 700 CB VAL A 47 -13.269 18.855 6.888 1.00 0.00 C ATOM 701 CG1 VAL A 47 -13.081 18.860 5.377 1.00 0.00 C ATOM 702 CG2 VAL A 47 -12.593 20.067 7.491 1.00 0.00 C ATOM 0 H VAL A 47 -14.623 16.816 7.822 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.957 19.728 7.889 1.00 0.00 H new ATOM 0 HB VAL A 47 -12.813 17.942 7.270 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.017 18.875 5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.534 17.965 4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.558 19.744 4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.542 20.079 7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.079 20.973 7.128 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -12.670 20.024 8.577 1.00 0.00 H new ATOM 712 N PHE A 48 -15.870 17.701 5.446 1.00 0.00 N ATOM 713 CA PHE A 48 -16.709 17.601 4.255 1.00 0.00 C ATOM 714 C PHE A 48 -18.089 18.185 4.524 1.00 0.00 C ATOM 715 O PHE A 48 -18.577 19.027 3.772 1.00 0.00 O ATOM 716 CB PHE A 48 -16.840 16.145 3.807 1.00 0.00 C ATOM 717 CG PHE A 48 -17.713 15.972 2.596 1.00 0.00 C ATOM 718 CD1 PHE A 48 -17.433 16.658 1.425 1.00 0.00 C ATOM 719 CD2 PHE A 48 -18.812 15.130 2.630 1.00 0.00 C ATOM 720 CE1 PHE A 48 -18.234 16.506 0.309 1.00 0.00 C ATOM 721 CE2 PHE A 48 -19.617 14.973 1.517 1.00 0.00 C ATOM 722 CZ PHE A 48 -19.328 15.663 0.356 1.00 0.00 C ATOM 0 H PHE A 48 -15.468 16.816 5.754 1.00 0.00 H new ATOM 0 HA PHE A 48 -16.233 18.171 3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.848 15.748 3.591 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.248 15.555 4.628 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -16.580 17.319 1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -19.043 14.590 3.536 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -18.005 17.045 -0.598 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -20.470 14.312 1.555 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.956 15.544 -0.514 1.00 0.00 H new ATOM 732 N ASN A 49 -18.707 17.741 5.611 1.00 0.00 N ATOM 733 CA ASN A 49 -20.024 18.235 5.987 1.00 0.00 C ATOM 734 C ASN A 49 -19.908 19.564 6.730 1.00 0.00 C ATOM 735 O ASN A 49 -20.908 20.121 7.182 1.00 0.00 O ATOM 736 CB ASN A 49 -20.747 17.207 6.861 1.00 0.00 C ATOM 737 CG ASN A 49 -20.841 15.848 6.198 1.00 0.00 C ATOM 738 OD1 ASN A 49 -21.677 15.628 5.321 1.00 0.00 O ATOM 739 ND2 ASN A 49 -19.982 14.925 6.615 1.00 0.00 N ATOM 0 H ASN A 49 -18.319 17.043 6.245 1.00 0.00 H new ATOM 0 HA ASN A 49 -20.603 18.395 5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.222 17.109 7.811 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.750 17.568 7.087 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -19.999 13.991 6.206 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.306 15.150 7.344 1.00 0.00 H new ATOM 746 N LYS A 50 -18.678 20.063 6.861 1.00 0.00 N ATOM 747 CA LYS A 50 -18.435 21.322 7.560 1.00 0.00 C ATOM 748 C LYS A 50 -18.624 22.524 6.640 1.00 0.00 C ATOM 749 O LYS A 50 -18.745 22.379 5.423 1.00 0.00 O ATOM 750 CB LYS A 50 -17.017 21.330 8.122 1.00 0.00 C ATOM 751 CG LYS A 50 -16.913 21.878 9.534 1.00 0.00 C ATOM 752 CD LYS A 50 -15.460 22.043 9.955 1.00 0.00 C ATOM 753 CE LYS A 50 -15.080 23.508 10.083 1.00 0.00 C ATOM 754 NZ LYS A 50 -15.657 24.128 11.307 1.00 0.00 N ATOM 0 H LYS A 50 -17.839 19.615 6.493 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.161 21.400 8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.627 20.312 8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.381 21.924 7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.423 22.840 9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.421 21.206 10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.297 21.539 10.908 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.811 21.560 9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.994 23.600 10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.427 24.051 9.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.222 24.960 11.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.264 23.437 11.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.888 24.421 11.943 1.00 0.00 H new ATOM 768 N GLU A 51 -18.629 23.713 7.236 1.00 0.00 N ATOM 769 CA GLU A 51 -18.782 24.953 6.483 1.00 0.00 C ATOM 770 C GLU A 51 -17.434 25.603 6.259 1.00 0.00 C ATOM 771 O GLU A 51 -17.227 26.281 5.252 1.00 0.00 O ATOM 772 CB GLU A 51 -19.728 25.916 7.203 1.00 0.00 C ATOM 773 CG GLU A 51 -20.510 26.816 6.261 1.00 0.00 C ATOM 774 CD GLU A 51 -21.079 28.037 6.959 1.00 0.00 C ATOM 775 OE1 GLU A 51 -20.319 29.003 7.178 1.00 0.00 O ATOM 776 OE2 GLU A 51 -22.283 28.024 7.288 1.00 0.00 O ATOM 0 H GLU A 51 -18.528 23.843 8.243 1.00 0.00 H new ATOM 0 HA GLU A 51 -19.218 24.712 5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -20.429 25.340 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.150 26.536 7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.859 27.137 5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -21.324 26.246 5.812 1.00 0.00 H new ATOM 783 N ASP A 52 -16.500 25.364 7.168 1.00 0.00 N ATOM 784 CA ASP A 52 -15.169 25.909 7.000 1.00 0.00 C ATOM 785 C ASP A 52 -14.344 24.989 6.122 1.00 0.00 C ATOM 786 O ASP A 52 -13.124 25.113 6.054 1.00 0.00 O ATOM 787 CB ASP A 52 -14.454 26.142 8.329 1.00 0.00 C ATOM 788 CG ASP A 52 -15.382 26.650 9.416 1.00 0.00 C ATOM 789 OD1 ASP A 52 -16.415 25.994 9.670 1.00 0.00 O ATOM 790 OD2 ASP A 52 -15.077 27.703 10.014 1.00 0.00 O ATOM 0 H ASP A 52 -16.638 24.808 8.012 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.278 26.883 6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.994 25.210 8.657 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.648 26.860 8.181 1.00 0.00 H new ATOM 795 N ALA A 53 -15.026 24.095 5.406 1.00 0.00 N ATOM 796 CA ALA A 53 -14.365 23.198 4.489 1.00 0.00 C ATOM 797 C ALA A 53 -13.991 24.000 3.262 1.00 0.00 C ATOM 798 O ALA A 53 -14.305 23.641 2.130 1.00 0.00 O ATOM 799 CB ALA A 53 -15.258 22.018 4.137 1.00 0.00 C ATOM 0 H ALA A 53 -16.039 23.981 5.451 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.470 22.776 4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.734 21.359 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.507 21.467 5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -16.173 22.381 3.670 1.00 0.00 H new ATOM 805 N THR A 54 -13.343 25.119 3.539 1.00 0.00 N ATOM 806 CA THR A 54 -12.904 26.058 2.530 1.00 0.00 C ATOM 807 C THR A 54 -11.417 25.877 2.239 1.00 0.00 C ATOM 808 O THR A 54 -10.936 24.763 2.056 1.00 0.00 O ATOM 809 CB THR A 54 -13.214 27.483 3.009 1.00 0.00 C ATOM 810 OG1 THR A 54 -12.257 27.914 3.961 1.00 0.00 O ATOM 811 CG2 THR A 54 -14.584 27.616 3.646 1.00 0.00 C ATOM 0 H THR A 54 -13.105 25.402 4.490 1.00 0.00 H new ATOM 0 HA THR A 54 -13.438 25.875 1.598 1.00 0.00 H new ATOM 0 HB THR A 54 -13.184 28.101 2.111 1.00 0.00 H new ATOM 0 HG1 THR A 54 -12.472 28.825 4.252 1.00 0.00 H new ATOM 0 HG21 THR A 54 -14.740 28.647 3.962 1.00 0.00 H new ATOM 0 HG22 THR A 54 -15.350 27.339 2.922 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.648 26.957 4.512 1.00 0.00 H new ATOM 819 N GLU A 55 -10.700 26.975 2.186 1.00 0.00 N ATOM 820 CA GLU A 55 -9.270 26.940 1.900 1.00 0.00 C ATOM 821 C GLU A 55 -8.452 26.523 3.121 1.00 0.00 C ATOM 822 O GLU A 55 -7.279 26.169 2.994 1.00 0.00 O ATOM 823 CB GLU A 55 -8.800 28.309 1.402 1.00 0.00 C ATOM 824 CG GLU A 55 -8.615 28.377 -0.104 1.00 0.00 C ATOM 825 CD GLU A 55 -9.819 28.964 -0.814 1.00 0.00 C ATOM 826 OE1 GLU A 55 -10.808 28.227 -1.012 1.00 0.00 O ATOM 827 OE2 GLU A 55 -9.772 30.159 -1.172 1.00 0.00 O ATOM 0 H GLU A 55 -11.078 27.910 2.337 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.110 26.192 1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.524 29.065 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.856 28.559 1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.735 28.979 -0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.424 27.375 -0.488 1.00 0.00 H new ATOM 834 N GLU A 56 -9.054 26.589 4.305 1.00 0.00 N ATOM 835 CA GLU A 56 -8.350 26.239 5.535 1.00 0.00 C ATOM 836 C GLU A 56 -8.602 24.798 5.992 1.00 0.00 C ATOM 837 O GLU A 56 -7.707 23.955 5.945 1.00 0.00 O ATOM 838 CB GLU A 56 -8.743 27.207 6.654 1.00 0.00 C ATOM 839 CG GLU A 56 -7.561 27.943 7.264 1.00 0.00 C ATOM 840 CD GLU A 56 -7.978 29.193 8.014 1.00 0.00 C ATOM 841 OE1 GLU A 56 -9.076 29.716 7.734 1.00 0.00 O ATOM 842 OE2 GLU A 56 -7.204 29.649 8.884 1.00 0.00 O ATOM 0 H GLU A 56 -10.022 26.880 4.439 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.285 26.319 5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.451 27.936 6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.259 26.653 7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.033 27.275 7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.860 28.214 6.475 1.00 0.00 H new ATOM 849 N GLU A 57 -9.811 24.546 6.486 1.00 0.00 N ATOM 850 CA GLU A 57 -10.183 23.234 7.022 1.00 0.00 C ATOM 851 C GLU A 57 -9.963 22.073 6.045 1.00 0.00 C ATOM 852 O GLU A 57 -9.543 20.993 6.459 1.00 0.00 O ATOM 853 CB GLU A 57 -11.639 23.259 7.484 1.00 0.00 C ATOM 854 CG GLU A 57 -11.862 22.589 8.829 1.00 0.00 C ATOM 855 CD GLU A 57 -11.458 23.473 9.993 1.00 0.00 C ATOM 856 OE1 GLU A 57 -11.428 24.710 9.818 1.00 0.00 O ATOM 857 OE2 GLU A 57 -11.173 22.929 11.081 1.00 0.00 O ATOM 0 H GLU A 57 -10.558 25.239 6.527 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.516 23.048 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.975 24.294 7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.258 22.765 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.914 22.322 8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.292 21.660 8.867 1.00 0.00 H new ATOM 864 N ILE A 58 -10.258 22.274 4.765 1.00 0.00 N ATOM 865 CA ILE A 58 -10.095 21.202 3.780 1.00 0.00 C ATOM 866 C ILE A 58 -8.683 20.643 3.789 1.00 0.00 C ATOM 867 O ILE A 58 -8.474 19.474 4.101 1.00 0.00 O ATOM 868 CB ILE A 58 -10.421 21.677 2.357 1.00 0.00 C ATOM 869 CG1 ILE A 58 -11.837 22.235 2.307 1.00 0.00 C ATOM 870 CG2 ILE A 58 -10.259 20.537 1.359 1.00 0.00 C ATOM 871 CD1 ILE A 58 -12.252 22.719 0.936 1.00 0.00 C ATOM 0 H ILE A 58 -10.606 23.154 4.386 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.798 20.421 4.068 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.722 22.467 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.534 21.464 2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.918 23.061 3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.495 20.895 0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.231 20.176 1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.935 19.724 1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -13.272 23.102 0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.579 23.513 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.205 21.891 0.228 1.00 0.00 H new ATOM 883 N ASN A 59 -7.715 21.480 3.431 1.00 0.00 N ATOM 884 CA ASN A 59 -6.314 21.052 3.391 1.00 0.00 C ATOM 885 C ASN A 59 -5.953 20.284 4.656 1.00 0.00 C ATOM 886 O ASN A 59 -5.179 19.327 4.619 1.00 0.00 O ATOM 887 CB ASN A 59 -5.352 22.243 3.220 1.00 0.00 C ATOM 888 CG ASN A 59 -6.050 23.590 3.177 1.00 0.00 C ATOM 889 OD1 ASN A 59 -7.027 23.773 2.451 1.00 0.00 O ATOM 890 ND2 ASN A 59 -5.549 24.539 3.959 1.00 0.00 N ATOM 0 H ASN A 59 -7.869 22.453 3.165 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.204 20.401 2.524 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.636 22.241 4.042 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.782 22.109 2.300 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.976 25.465 3.974 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.737 24.342 4.544 1.00 0.00 H new ATOM 897 N LEU A 60 -6.527 20.710 5.774 1.00 0.00 N ATOM 898 CA LEU A 60 -6.279 20.066 7.055 1.00 0.00 C ATOM 899 C LEU A 60 -6.950 18.697 7.110 1.00 0.00 C ATOM 900 O LEU A 60 -6.467 17.788 7.786 1.00 0.00 O ATOM 901 CB LEU A 60 -6.788 20.947 8.198 1.00 0.00 C ATOM 902 CG LEU A 60 -6.255 22.381 8.196 1.00 0.00 C ATOM 903 CD1 LEU A 60 -7.223 23.315 8.910 1.00 0.00 C ATOM 904 CD2 LEU A 60 -4.878 22.439 8.842 1.00 0.00 C ATOM 0 H LEU A 60 -7.169 21.501 5.818 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.203 19.928 7.166 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.877 20.980 8.154 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.521 20.478 9.145 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.163 22.712 7.161 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.825 24.330 8.898 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.187 23.297 8.402 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.350 22.988 9.942 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.514 23.466 8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.944 22.088 9.872 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.188 21.804 8.286 1.00 0.00 H new ATOM 916 N ALA A 61 -8.069 18.554 6.402 1.00 0.00 N ATOM 917 CA ALA A 61 -8.802 17.293 6.381 1.00 0.00 C ATOM 918 C ALA A 61 -8.431 16.438 5.168 1.00 0.00 C ATOM 919 O ALA A 61 -8.679 15.232 5.150 1.00 0.00 O ATOM 920 CB ALA A 61 -10.297 17.568 6.392 1.00 0.00 C ATOM 0 H ALA A 61 -8.486 19.294 5.837 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.526 16.730 7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.841 16.623 6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.558 18.122 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.565 18.156 5.514 1.00 0.00 H new ATOM 926 N LYS A 62 -7.853 17.070 4.153 1.00 0.00 N ATOM 927 CA LYS A 62 -7.465 16.375 2.931 1.00 0.00 C ATOM 928 C LYS A 62 -6.086 15.726 3.068 1.00 0.00 C ATOM 929 O LYS A 62 -5.802 14.712 2.430 1.00 0.00 O ATOM 930 CB LYS A 62 -7.479 17.355 1.747 1.00 0.00 C ATOM 931 CG LYS A 62 -6.143 18.036 1.480 1.00 0.00 C ATOM 932 CD LYS A 62 -5.318 17.265 0.463 1.00 0.00 C ATOM 933 CE LYS A 62 -5.923 17.358 -0.930 1.00 0.00 C ATOM 934 NZ LYS A 62 -5.248 18.392 -1.761 1.00 0.00 N ATOM 0 H LYS A 62 -7.642 18.068 4.153 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.187 15.579 2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.785 16.818 0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.233 18.120 1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.316 19.049 1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.585 18.123 2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.301 17.656 0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.252 16.219 0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.847 16.389 -1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.984 17.593 -0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.690 18.424 -2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.342 19.321 -1.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.240 18.155 -1.859 1.00 0.00 H new ATOM 948 N GLU A 63 -5.231 16.325 3.894 1.00 0.00 N ATOM 949 CA GLU A 63 -3.875 15.819 4.110 1.00 0.00 C ATOM 950 C GLU A 63 -3.859 14.301 4.282 1.00 0.00 C ATOM 951 O GLU A 63 -3.324 13.576 3.443 1.00 0.00 O ATOM 952 CB GLU A 63 -3.250 16.485 5.337 1.00 0.00 C ATOM 953 CG GLU A 63 -1.735 16.574 5.278 1.00 0.00 C ATOM 954 CD GLU A 63 -1.089 16.434 6.643 1.00 0.00 C ATOM 955 OE1 GLU A 63 -1.126 15.320 7.207 1.00 0.00 O ATOM 956 OE2 GLU A 63 -0.547 17.439 7.148 1.00 0.00 O ATOM 0 H GLU A 63 -5.454 17.165 4.428 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.289 16.064 3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.660 17.489 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.538 15.927 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.354 15.794 4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.448 17.530 4.840 1.00 0.00 H new ATOM 963 N SER A 64 -4.452 13.829 5.372 1.00 0.00 N ATOM 964 CA SER A 64 -4.511 12.403 5.657 1.00 0.00 C ATOM 965 C SER A 64 -5.523 11.705 4.752 1.00 0.00 C ATOM 966 O SER A 64 -5.570 10.483 4.694 1.00 0.00 O ATOM 967 CB SER A 64 -4.878 12.170 7.123 1.00 0.00 C ATOM 968 OG SER A 64 -3.843 12.616 7.984 1.00 0.00 O ATOM 0 H SER A 64 -4.900 14.417 6.075 1.00 0.00 H new ATOM 0 HA SER A 64 -3.525 11.980 5.463 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.803 12.696 7.358 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.063 11.109 7.291 1.00 0.00 H new ATOM 0 HG SER A 64 -4.102 12.458 8.916 1.00 0.00 H new ATOM 974 N LEU A 65 -6.330 12.482 4.047 1.00 0.00 N ATOM 975 CA LEU A 65 -7.329 11.929 3.159 1.00 0.00 C ATOM 976 C LEU A 65 -6.659 11.269 1.973 1.00 0.00 C ATOM 977 O LEU A 65 -6.887 10.096 1.682 1.00 0.00 O ATOM 978 CB LEU A 65 -8.263 13.036 2.687 1.00 0.00 C ATOM 979 CG LEU A 65 -9.684 12.590 2.364 1.00 0.00 C ATOM 980 CD1 LEU A 65 -10.280 11.804 3.522 1.00 0.00 C ATOM 981 CD2 LEU A 65 -10.542 13.798 2.031 1.00 0.00 C ATOM 0 H LEU A 65 -6.309 13.501 4.076 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.910 11.178 3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.307 13.806 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.833 13.498 1.798 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.656 11.932 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.294 11.496 3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.670 10.921 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.303 12.431 4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.556 13.472 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.563 14.475 2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.123 14.315 1.168 1.00 0.00 H new ATOM 993 N GLU A 66 -5.828 12.039 1.294 1.00 0.00 N ATOM 994 CA GLU A 66 -5.114 11.543 0.139 1.00 0.00 C ATOM 995 C GLU A 66 -3.873 10.747 0.546 1.00 0.00 C ATOM 996 O GLU A 66 -3.220 10.132 -0.297 1.00 0.00 O ATOM 997 CB GLU A 66 -4.716 12.697 -0.781 1.00 0.00 C ATOM 998 CG GLU A 66 -5.840 13.168 -1.689 1.00 0.00 C ATOM 999 CD GLU A 66 -5.329 13.834 -2.952 1.00 0.00 C ATOM 1000 OE1 GLU A 66 -4.179 14.322 -2.942 1.00 0.00 O ATOM 1001 OE2 GLU A 66 -6.078 13.868 -3.950 1.00 0.00 O ATOM 0 H GLU A 66 -5.633 13.013 1.526 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.785 10.873 -0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.377 13.535 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.871 12.386 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.465 12.317 -1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.473 13.868 -1.144 1.00 0.00 H new ATOM 1008 N GLY A 67 -3.544 10.768 1.837 1.00 0.00 N ATOM 1009 CA GLY A 67 -2.375 10.051 2.313 1.00 0.00 C ATOM 1010 C GLY A 67 -2.715 8.849 3.177 1.00 0.00 C ATOM 1011 O GLY A 67 -1.858 8.002 3.427 1.00 0.00 O ATOM 0 H GLY A 67 -4.065 11.267 2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.788 9.719 1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.747 10.734 2.885 1.00 0.00 H new ATOM 1015 N ALA A 68 -3.961 8.767 3.639 1.00 0.00 N ATOM 1016 CA ALA A 68 -4.380 7.651 4.480 1.00 0.00 C ATOM 1017 C ALA A 68 -5.019 6.540 3.651 1.00 0.00 C ATOM 1018 O ALA A 68 -4.691 5.367 3.830 1.00 0.00 O ATOM 1019 CB ALA A 68 -5.322 8.126 5.570 1.00 0.00 C ATOM 0 H ALA A 68 -4.691 9.453 3.447 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.490 7.237 4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.623 7.278 6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.816 8.865 6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.205 8.576 5.117 1.00 0.00 H new ATOM 1025 N ILE A 69 -5.904 6.899 2.714 1.00 0.00 N ATOM 1026 CA ILE A 69 -6.522 5.906 1.858 1.00 0.00 C ATOM 1027 C ILE A 69 -5.426 5.236 1.072 1.00 0.00 C ATOM 1028 O ILE A 69 -5.384 4.014 0.935 1.00 0.00 O ATOM 1029 CB ILE A 69 -7.539 6.520 0.869 1.00 0.00 C ATOM 1030 CG1 ILE A 69 -6.860 7.536 -0.056 1.00 0.00 C ATOM 1031 CG2 ILE A 69 -8.694 7.158 1.616 1.00 0.00 C ATOM 1032 CD1 ILE A 69 -7.828 8.302 -0.936 1.00 0.00 C ATOM 0 H ILE A 69 -6.199 7.859 2.538 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.069 5.204 2.487 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.936 5.716 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.295 8.245 0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.142 7.014 -0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -9.398 7.584 0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -9.200 6.403 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -8.315 7.946 2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.275 9.002 -1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -8.376 7.603 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -8.531 8.853 -0.311 1.00 0.00 H new ATOM 1044 N ALA A 70 -4.511 6.068 0.586 1.00 0.00 N ATOM 1045 CA ALA A 70 -3.373 5.586 -0.164 1.00 0.00 C ATOM 1046 C ALA A 70 -2.624 4.538 0.651 1.00 0.00 C ATOM 1047 O ALA A 70 -1.964 3.655 0.101 1.00 0.00 O ATOM 1048 CB ALA A 70 -2.459 6.740 -0.538 1.00 0.00 C ATOM 0 H ALA A 70 -4.542 7.081 0.702 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.723 5.122 -1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.607 6.361 -1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.009 7.456 -1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.105 7.232 0.368 1.00 0.00 H new ATOM 1054 N ARG A 71 -2.755 4.639 1.973 1.00 0.00 N ATOM 1055 CA ARG A 71 -2.120 3.700 2.881 1.00 0.00 C ATOM 1056 C ARG A 71 -2.892 2.386 2.899 1.00 0.00 C ATOM 1057 O ARG A 71 -2.354 1.340 2.538 1.00 0.00 O ATOM 1058 CB ARG A 71 -2.049 4.286 4.293 1.00 0.00 C ATOM 1059 CG ARG A 71 -0.837 3.822 5.084 1.00 0.00 C ATOM 1060 CD ARG A 71 0.461 4.209 4.392 1.00 0.00 C ATOM 1061 NE ARG A 71 1.560 4.364 5.341 1.00 0.00 N ATOM 1062 CZ ARG A 71 2.692 5.009 5.066 1.00 0.00 C ATOM 1063 NH1 ARG A 71 2.876 5.561 3.872 1.00 0.00 N ATOM 1064 NH2 ARG A 71 3.642 5.103 5.986 1.00 0.00 N ATOM 0 H ARG A 71 -3.299 5.367 2.436 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.105 3.511 2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.034 5.374 4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.953 4.013 4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.863 4.260 6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.875 2.740 5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.721 3.448 3.657 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.318 5.142 3.847 1.00 0.00 H new ATOM 0 HE ARG A 71 1.454 3.954 6.269 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.148 5.492 3.161 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.745 6.054 3.667 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.506 4.681 6.905 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.509 5.597 5.775 1.00 0.00 H new ATOM 1078 N PHE A 72 -4.162 2.440 3.317 1.00 0.00 N ATOM 1079 CA PHE A 72 -4.990 1.246 3.369 1.00 0.00 C ATOM 1080 C PHE A 72 -4.895 0.442 2.074 1.00 0.00 C ATOM 1081 O PHE A 72 -4.715 -0.773 2.104 1.00 0.00 O ATOM 1082 CB PHE A 72 -6.443 1.615 3.644 1.00 0.00 C ATOM 1083 CG PHE A 72 -7.174 0.560 4.421 1.00 0.00 C ATOM 1084 CD1 PHE A 72 -6.964 -0.782 4.156 1.00 0.00 C ATOM 1085 CD2 PHE A 72 -8.065 0.908 5.420 1.00 0.00 C ATOM 1086 CE1 PHE A 72 -7.626 -1.754 4.868 1.00 0.00 C ATOM 1087 CE2 PHE A 72 -8.734 -0.064 6.135 1.00 0.00 C ATOM 1088 CZ PHE A 72 -8.514 -1.396 5.859 1.00 0.00 C ATOM 0 H PHE A 72 -4.629 3.294 3.620 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.618 0.624 4.183 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.476 2.555 4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.956 1.783 2.697 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.271 -1.070 3.379 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -8.239 1.950 5.642 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -7.450 -2.797 4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.430 0.219 6.911 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.037 -2.158 6.418 1.00 0.00 H new ATOM 1098 N ASN A 73 -5.005 1.120 0.933 1.00 0.00 N ATOM 1099 CA ASN A 73 -4.916 0.445 -0.361 1.00 0.00 C ATOM 1100 C ASN A 73 -3.818 -0.613 -0.316 1.00 0.00 C ATOM 1101 O ASN A 73 -3.957 -1.702 -0.870 1.00 0.00 O ATOM 1102 CB ASN A 73 -4.632 1.455 -1.476 1.00 0.00 C ATOM 1103 CG ASN A 73 -5.861 2.259 -1.861 1.00 0.00 C ATOM 1104 OD1 ASN A 73 -6.783 1.742 -2.492 1.00 0.00 O ATOM 1105 ND2 ASN A 73 -5.878 3.531 -1.481 1.00 0.00 N ATOM 0 H ASN A 73 -5.155 2.127 0.877 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.870 -0.038 -0.571 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.844 2.135 -1.153 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.258 0.927 -2.353 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.678 4.121 -1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.092 3.918 -0.959 1.00 0.00 H new ATOM 1112 N SER A 74 -2.738 -0.277 0.382 1.00 0.00 N ATOM 1113 CA SER A 74 -1.611 -1.184 0.551 1.00 0.00 C ATOM 1114 C SER A 74 -1.544 -1.692 1.993 1.00 0.00 C ATOM 1115 O SER A 74 -0.500 -1.609 2.641 1.00 0.00 O ATOM 1116 CB SER A 74 -0.303 -0.484 0.176 1.00 0.00 C ATOM 1117 OG SER A 74 -0.180 -0.348 -1.229 1.00 0.00 O ATOM 0 H SER A 74 -2.621 0.625 0.843 1.00 0.00 H new ATOM 0 HA SER A 74 -1.753 -2.037 -0.112 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.267 0.500 0.644 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.542 -1.053 0.564 1.00 0.00 H new ATOM 0 HG SER A 74 0.663 0.104 -1.441 1.00 0.00 H new ATOM 1123 N LEU A 75 -2.667 -2.204 2.496 1.00 0.00 N ATOM 1124 CA LEU A 75 -2.734 -2.711 3.867 1.00 0.00 C ATOM 1125 C LEU A 75 -3.212 -4.160 3.897 1.00 0.00 C ATOM 1126 O LEU A 75 -2.640 -5.001 4.592 1.00 0.00 O ATOM 1127 CB LEU A 75 -3.681 -1.847 4.710 1.00 0.00 C ATOM 1128 CG LEU A 75 -3.009 -0.944 5.748 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -2.117 -1.759 6.668 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -2.213 0.157 5.067 1.00 0.00 C ATOM 0 H LEU A 75 -3.541 -2.279 1.976 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.728 -2.666 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.268 -1.222 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.381 -2.505 5.226 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.788 -0.478 6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.648 -1.100 7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.716 -2.507 7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.345 -2.256 6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.744 0.787 5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.443 -0.288 4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.880 0.762 4.453 1.00 0.00 H new ATOM 1142 N LEU A 76 -4.271 -4.438 3.145 1.00 0.00 N ATOM 1143 CA LEU A 76 -4.862 -5.777 3.075 1.00 0.00 C ATOM 1144 C LEU A 76 -3.955 -6.752 2.337 1.00 0.00 C ATOM 1145 O LEU A 76 -4.385 -7.419 1.395 1.00 0.00 O ATOM 1146 CB LEU A 76 -6.212 -5.705 2.356 1.00 0.00 C ATOM 1147 CG LEU A 76 -6.248 -4.840 1.083 1.00 0.00 C ATOM 1148 CD1 LEU A 76 -6.653 -3.412 1.419 1.00 0.00 C ATOM 1149 CD2 LEU A 76 -4.903 -4.863 0.347 1.00 0.00 C ATOM 0 H LEU A 76 -4.746 -3.746 2.566 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.994 -6.138 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.517 -6.718 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.955 -5.320 3.055 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.996 -5.266 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.673 -2.815 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.643 -3.412 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.933 -2.984 2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.966 -4.242 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.123 -4.477 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.663 -5.887 0.060 1.00 0.00 H new ATOM 1161 N ILE A 77 -2.696 -6.821 2.746 1.00 0.00 N ATOM 1162 CA ILE A 77 -1.741 -7.707 2.086 1.00 0.00 C ATOM 1163 C ILE A 77 -1.798 -7.455 0.601 1.00 0.00 C ATOM 1164 O ILE A 77 -2.122 -8.348 -0.183 1.00 0.00 O ATOM 1165 CB ILE A 77 -2.023 -9.199 2.380 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -2.844 -9.356 3.661 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -0.720 -9.971 2.496 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -2.221 -8.686 4.866 1.00 0.00 C ATOM 0 H ILE A 77 -2.313 -6.282 3.522 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.747 -7.490 2.476 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.601 -9.605 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.838 -8.940 3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.973 -10.418 3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.935 -11.019 2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.166 -9.892 1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.122 -9.556 3.308 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.858 -8.839 5.737 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.238 -9.118 5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.117 -7.618 4.675 1.00 0.00 H new ATOM 1180 N GLU A 78 -1.505 -6.202 0.239 1.00 0.00 N ATOM 1181 CA GLU A 78 -1.532 -5.755 -1.146 1.00 0.00 C ATOM 1182 C GLU A 78 -1.690 -6.927 -2.092 1.00 0.00 C ATOM 1183 O GLU A 78 -0.878 -7.851 -2.102 1.00 0.00 O ATOM 1184 CB GLU A 78 -0.276 -4.951 -1.479 1.00 0.00 C ATOM 1185 CG GLU A 78 -0.573 -3.493 -1.791 1.00 0.00 C ATOM 1186 CD GLU A 78 -0.267 -3.128 -3.231 1.00 0.00 C ATOM 1187 OE1 GLU A 78 0.902 -3.279 -3.646 1.00 0.00 O ATOM 1188 OE2 GLU A 78 -1.196 -2.693 -3.942 1.00 0.00 O ATOM 0 H GLU A 78 -1.243 -5.473 0.903 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.396 -5.104 -1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.417 -5.004 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.224 -5.406 -2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.623 -3.288 -1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.013 -2.857 -1.127 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.762 -6.883 -2.863 1.00 0.00 N ATOM 1196 CA GLU A 79 -3.094 -7.935 -3.815 1.00 0.00 C ATOM 1197 C GLU A 79 -1.851 -8.519 -4.498 1.00 0.00 C ATOM 1198 O GLU A 79 -1.873 -9.658 -4.962 1.00 0.00 O ATOM 1199 CB GLU A 79 -4.083 -7.389 -4.843 1.00 0.00 C ATOM 1200 CG GLU A 79 -5.197 -6.556 -4.213 1.00 0.00 C ATOM 1201 CD GLU A 79 -6.564 -6.886 -4.779 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -7.150 -7.907 -4.358 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -7.050 -6.126 -5.643 1.00 0.00 O ATOM 0 H GLU A 79 -3.432 -6.114 -2.848 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.554 -8.758 -3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.545 -6.778 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.524 -8.221 -5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.204 -6.722 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.988 -5.498 -4.371 1.00 0.00 H new ATOM 1210 N SER A 80 -0.765 -7.746 -4.545 1.00 0.00 N ATOM 1211 CA SER A 80 0.470 -8.216 -5.158 1.00 0.00 C ATOM 1212 C SER A 80 1.694 -7.935 -4.275 1.00 0.00 C ATOM 1213 O SER A 80 2.785 -7.701 -4.794 1.00 0.00 O ATOM 1214 CB SER A 80 0.660 -7.560 -6.527 1.00 0.00 C ATOM 1215 OG SER A 80 0.140 -6.242 -6.538 1.00 0.00 O ATOM 0 H SER A 80 -0.719 -6.799 -4.168 1.00 0.00 H new ATOM 0 HA SER A 80 0.385 -9.296 -5.275 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.720 -7.538 -6.779 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.163 -8.157 -7.292 1.00 0.00 H new ATOM 0 HG SER A 80 0.275 -5.844 -7.423 1.00 0.00 H new ATOM 1221 N THR A 81 1.526 -7.958 -2.946 1.00 0.00 N ATOM 1222 CA THR A 81 2.646 -7.704 -2.044 1.00 0.00 C ATOM 1223 C THR A 81 3.610 -8.885 -1.998 1.00 0.00 C ATOM 1224 O THR A 81 4.767 -8.731 -1.604 1.00 0.00 O ATOM 1225 CB THR A 81 2.133 -7.414 -0.640 1.00 0.00 C ATOM 1226 OG1 THR A 81 3.205 -7.104 0.231 1.00 0.00 O ATOM 1227 CG2 THR A 81 1.372 -8.575 -0.044 1.00 0.00 C ATOM 0 H THR A 81 0.638 -8.147 -2.482 1.00 0.00 H new ATOM 0 HA THR A 81 3.185 -6.838 -2.427 1.00 0.00 H new ATOM 0 HB THR A 81 1.456 -6.566 -0.741 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.475 -6.171 0.098 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.031 -8.311 0.957 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.511 -8.807 -0.672 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.024 -9.446 0.013 1.00 0.00 H new ATOM 1235 N GLY A 82 3.133 -10.062 -2.397 1.00 0.00 N ATOM 1236 CA GLY A 82 3.975 -11.248 -2.386 1.00 0.00 C ATOM 1237 C GLY A 82 5.372 -10.976 -2.912 1.00 0.00 C ATOM 1238 O GLY A 82 6.347 -11.548 -2.431 1.00 0.00 O ATOM 0 H GLY A 82 2.180 -10.216 -2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.042 -11.632 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.508 -12.026 -2.990 1.00 0.00 H new ATOM 1242 N ASP A 83 5.465 -10.094 -3.901 1.00 0.00 N ATOM 1243 CA ASP A 83 6.751 -9.743 -4.492 1.00 0.00 C ATOM 1244 C ASP A 83 7.553 -8.841 -3.557 1.00 0.00 C ATOM 1245 O ASP A 83 7.630 -7.629 -3.760 1.00 0.00 O ATOM 1246 CB ASP A 83 6.544 -9.047 -5.839 1.00 0.00 C ATOM 1247 CG ASP A 83 7.619 -9.408 -6.846 1.00 0.00 C ATOM 1248 OD1 ASP A 83 8.761 -9.683 -6.422 1.00 0.00 O ATOM 1249 OD2 ASP A 83 7.318 -9.414 -8.058 1.00 0.00 O ATOM 0 H ASP A 83 4.666 -9.609 -4.310 1.00 0.00 H new ATOM 0 HA ASP A 83 7.313 -10.663 -4.649 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.568 -9.320 -6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.537 -7.967 -5.690 1.00 0.00 H new ATOM 1254 N PHE A 84 8.150 -9.443 -2.534 1.00 0.00 N ATOM 1255 CA PHE A 84 8.951 -8.704 -1.565 1.00 0.00 C ATOM 1256 C PHE A 84 10.077 -7.943 -2.253 1.00 0.00 C ATOM 1257 O PHE A 84 10.088 -6.713 -2.278 1.00 0.00 O ATOM 1258 CB PHE A 84 9.543 -9.662 -0.529 1.00 0.00 C ATOM 1259 CG PHE A 84 8.632 -9.959 0.627 1.00 0.00 C ATOM 1260 CD1 PHE A 84 7.781 -8.989 1.131 1.00 0.00 C ATOM 1261 CD2 PHE A 84 8.631 -11.213 1.213 1.00 0.00 C ATOM 1262 CE1 PHE A 84 6.946 -9.263 2.196 1.00 0.00 C ATOM 1263 CE2 PHE A 84 7.798 -11.493 2.277 1.00 0.00 C ATOM 1264 CZ PHE A 84 6.955 -10.518 2.769 1.00 0.00 C ATOM 0 H PHE A 84 8.094 -10.445 -2.354 1.00 0.00 H new ATOM 0 HA PHE A 84 8.298 -7.987 -1.068 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.802 -10.599 -1.023 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.471 -9.237 -0.146 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.771 -8.005 0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.289 -11.981 0.833 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.288 -8.497 2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.806 -12.476 2.725 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.303 -10.737 3.602 1.00 0.00 H new ATOM 1274 N ASN A 85 11.022 -8.689 -2.812 1.00 0.00 N ATOM 1275 CA ASN A 85 12.158 -8.091 -3.505 1.00 0.00 C ATOM 1276 C ASN A 85 11.727 -7.463 -4.828 1.00 0.00 C ATOM 1277 O ASN A 85 12.514 -6.778 -5.482 1.00 0.00 O ATOM 1278 CB ASN A 85 13.235 -9.146 -3.769 1.00 0.00 C ATOM 1279 CG ASN A 85 13.841 -9.692 -2.492 1.00 0.00 C ATOM 1280 OD1 ASN A 85 14.638 -9.024 -1.834 1.00 0.00 O ATOM 1281 ND2 ASN A 85 13.468 -10.917 -2.139 1.00 0.00 N ATOM 0 H ASN A 85 11.025 -9.709 -2.799 1.00 0.00 H new ATOM 0 HA ASN A 85 12.564 -7.309 -2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.802 -9.967 -4.341 1.00 0.00 H new ATOM 0 HB3 ASN A 85 14.023 -8.710 -4.383 1.00 0.00 H new ATOM 0 HD21 ASN A 85 13.845 -11.341 -1.291 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.804 -11.434 -2.716 1.00 0.00 H new ATOM 1288 N GLY A 86 10.483 -7.711 -5.227 1.00 0.00 N ATOM 1289 CA GLY A 86 9.992 -7.173 -6.479 1.00 0.00 C ATOM 1290 C GLY A 86 10.618 -7.863 -7.675 1.00 0.00 C ATOM 1291 O GLY A 86 10.464 -7.415 -8.812 1.00 0.00 O ATOM 0 H GLY A 86 9.810 -8.273 -4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.909 -7.284 -6.522 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.205 -6.105 -6.524 1.00 0.00 H new ATOM 1295 N ASN A 87 11.333 -8.957 -7.416 1.00 0.00 N ATOM 1296 CA ASN A 87 11.991 -9.711 -8.479 1.00 0.00 C ATOM 1297 C ASN A 87 11.046 -10.739 -9.094 1.00 0.00 C ATOM 1298 O ASN A 87 11.214 -11.135 -10.248 1.00 0.00 O ATOM 1299 CB ASN A 87 13.244 -10.407 -7.943 1.00 0.00 C ATOM 1300 CG ASN A 87 12.987 -11.143 -6.642 1.00 0.00 C ATOM 1301 OD1 ASN A 87 11.861 -11.174 -6.146 1.00 0.00 O ATOM 1302 ND2 ASN A 87 14.033 -11.738 -6.082 1.00 0.00 N ATOM 0 H ASN A 87 11.471 -9.339 -6.480 1.00 0.00 H new ATOM 0 HA ASN A 87 12.281 -9.005 -9.258 1.00 0.00 H new ATOM 0 HB2 ASN A 87 13.612 -11.112 -8.689 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.029 -9.667 -7.789 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.921 -12.247 -5.205 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.949 -11.686 -6.529 1.00 0.00 H new ATOM 1309 N GLY A 88 10.048 -11.165 -8.323 1.00 0.00 N ATOM 1310 CA GLY A 88 9.092 -12.137 -8.823 1.00 0.00 C ATOM 1311 C GLY A 88 9.290 -13.521 -8.234 1.00 0.00 C ATOM 1312 O GLY A 88 9.384 -14.506 -8.967 1.00 0.00 O ATOM 0 H GLY A 88 9.885 -10.855 -7.365 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.082 -11.794 -8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.175 -12.195 -9.908 1.00 0.00 H new ATOM 1316 N LYS A 89 9.343 -13.602 -6.908 1.00 0.00 N ATOM 1317 CA LYS A 89 9.518 -14.876 -6.225 1.00 0.00 C ATOM 1318 C LYS A 89 9.032 -14.774 -4.785 1.00 0.00 C ATOM 1319 O LYS A 89 9.588 -14.022 -3.985 1.00 0.00 O ATOM 1320 CB LYS A 89 10.986 -15.308 -6.259 1.00 0.00 C ATOM 1321 CG LYS A 89 11.912 -14.390 -5.477 1.00 0.00 C ATOM 1322 CD LYS A 89 13.373 -14.710 -5.751 1.00 0.00 C ATOM 1323 CE LYS A 89 14.218 -14.580 -4.494 1.00 0.00 C ATOM 1324 NZ LYS A 89 15.632 -14.238 -4.808 1.00 0.00 N ATOM 0 H LYS A 89 9.267 -12.798 -6.285 1.00 0.00 H new ATOM 0 HA LYS A 89 8.925 -15.629 -6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.067 -16.318 -5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.320 -15.348 -7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.709 -13.353 -5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.710 -14.490 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.457 -15.723 -6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.756 -14.038 -6.519 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.793 -13.811 -3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 89 14.186 -15.516 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.253 -14.606 -4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 15.898 -14.663 -5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 15.735 -13.205 -4.865 1.00 0.00 H new ATOM 1338 N ILE A 90 7.985 -15.525 -4.462 1.00 0.00 N ATOM 1339 CA ILE A 90 7.424 -15.504 -3.117 1.00 0.00 C ATOM 1340 C ILE A 90 7.547 -16.866 -2.451 1.00 0.00 C ATOM 1341 O ILE A 90 6.747 -17.768 -2.700 1.00 0.00 O ATOM 1342 CB ILE A 90 5.939 -15.074 -3.112 1.00 0.00 C ATOM 1343 CG1 ILE A 90 5.573 -14.331 -4.402 1.00 0.00 C ATOM 1344 CG2 ILE A 90 5.653 -14.204 -1.898 1.00 0.00 C ATOM 1345 CD1 ILE A 90 6.500 -13.180 -4.727 1.00 0.00 C ATOM 0 H ILE A 90 7.510 -16.153 -5.110 1.00 0.00 H new ATOM 0 HA ILE A 90 8.000 -14.768 -2.556 1.00 0.00 H new ATOM 0 HB ILE A 90 5.323 -15.972 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.581 -15.037 -5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.555 -13.952 -4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.605 -13.906 -1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.866 -14.766 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.283 -13.315 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.178 -12.703 -5.653 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.474 -12.452 -3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.517 -13.554 -4.847 1.00 0.00 H new ATOM 1357 N ASP A 91 8.556 -17.006 -1.602 1.00 0.00 N ATOM 1358 CA ASP A 91 8.791 -18.258 -0.892 1.00 0.00 C ATOM 1359 C ASP A 91 9.936 -18.106 0.100 1.00 0.00 C ATOM 1360 O ASP A 91 9.751 -18.262 1.307 1.00 0.00 O ATOM 1361 CB ASP A 91 9.100 -19.383 -1.882 1.00 0.00 C ATOM 1362 CG ASP A 91 7.877 -20.216 -2.213 1.00 0.00 C ATOM 1363 OD1 ASP A 91 7.377 -20.920 -1.310 1.00 0.00 O ATOM 1364 OD2 ASP A 91 7.420 -20.165 -3.374 1.00 0.00 O ATOM 0 H ASP A 91 9.226 -16.268 -1.387 1.00 0.00 H new ATOM 0 HA ASP A 91 7.886 -18.513 -0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.503 -18.955 -2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 91 9.873 -20.028 -1.465 1.00 0.00 H new ATOM 1369 N ILE A 92 11.117 -17.793 -0.417 1.00 0.00 N ATOM 1370 CA ILE A 92 12.290 -17.609 0.425 1.00 0.00 C ATOM 1371 C ILE A 92 12.393 -16.167 0.907 1.00 0.00 C ATOM 1372 O ILE A 92 13.039 -15.886 1.916 1.00 0.00 O ATOM 1373 CB ILE A 92 13.585 -17.992 -0.312 1.00 0.00 C ATOM 1374 CG1 ILE A 92 14.805 -17.671 0.562 1.00 0.00 C ATOM 1375 CG2 ILE A 92 13.662 -17.280 -1.657 1.00 0.00 C ATOM 1376 CD1 ILE A 92 15.384 -16.286 0.343 1.00 0.00 C ATOM 0 H ILE A 92 11.287 -17.662 -1.414 1.00 0.00 H new ATOM 0 HA ILE A 92 12.170 -18.270 1.283 1.00 0.00 H new ATOM 0 HB ILE A 92 13.581 -19.065 -0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 92 14.523 -17.772 1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 92 15.581 -18.411 0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 92 14.584 -17.562 -2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 92 12.807 -17.567 -2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 92 13.650 -16.202 -1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 92 16.242 -16.142 1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 92 15.701 -16.184 -0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 92 14.626 -15.535 0.567 1.00 0.00 H new ATOM 1388 N GLY A 93 11.748 -15.257 0.185 1.00 0.00 N ATOM 1389 CA GLY A 93 11.780 -13.858 0.564 1.00 0.00 C ATOM 1390 C GLY A 93 10.988 -13.581 1.830 1.00 0.00 C ATOM 1391 O GLY A 93 10.921 -12.441 2.287 1.00 0.00 O ATOM 0 H GLY A 93 11.205 -15.463 -0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.815 -13.548 0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.380 -13.255 -0.251 1.00 0.00 H new ATOM 1395 N ASP A 94 10.387 -14.623 2.400 1.00 0.00 N ATOM 1396 CA ASP A 94 9.602 -14.475 3.619 1.00 0.00 C ATOM 1397 C ASP A 94 10.493 -14.587 4.849 1.00 0.00 C ATOM 1398 O ASP A 94 10.513 -13.698 5.700 1.00 0.00 O ATOM 1399 CB ASP A 94 8.503 -15.537 3.677 1.00 0.00 C ATOM 1400 CG ASP A 94 7.684 -15.457 4.952 1.00 0.00 C ATOM 1401 OD1 ASP A 94 7.546 -14.343 5.500 1.00 0.00 O ATOM 1402 OD2 ASP A 94 7.184 -16.509 5.404 1.00 0.00 O ATOM 0 H ASP A 94 10.429 -15.575 2.037 1.00 0.00 H new ATOM 0 HA ASP A 94 9.142 -13.487 3.609 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.843 -15.420 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 94 8.954 -16.526 3.600 1.00 0.00 H new ATOM 1407 N LEU A 95 11.224 -15.690 4.935 1.00 0.00 N ATOM 1408 CA LEU A 95 12.118 -15.928 6.062 1.00 0.00 C ATOM 1409 C LEU A 95 13.534 -15.444 5.762 1.00 0.00 C ATOM 1410 O LEU A 95 14.506 -15.995 6.280 1.00 0.00 O ATOM 1411 CB LEU A 95 12.140 -17.418 6.413 1.00 0.00 C ATOM 1412 CG LEU A 95 12.727 -17.750 7.786 1.00 0.00 C ATOM 1413 CD1 LEU A 95 11.650 -17.680 8.857 1.00 0.00 C ATOM 1414 CD2 LEU A 95 13.374 -19.127 7.768 1.00 0.00 C ATOM 0 H LEU A 95 11.216 -16.435 4.238 1.00 0.00 H new ATOM 0 HA LEU A 95 11.740 -15.361 6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 95 11.121 -17.802 6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 95 12.714 -17.947 5.652 1.00 0.00 H new ATOM 0 HG LEU A 95 13.494 -17.012 8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 95 12.086 -17.919 9.827 1.00 0.00 H new ATOM 0 HD12 LEU A 95 11.230 -16.675 8.886 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.861 -18.396 8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 95 13.787 -19.348 8.752 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.626 -19.877 7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 95 14.173 -19.144 7.027 1.00 0.00 H new ATOM 1426 N ALA A 96 13.651 -14.420 4.920 1.00 0.00 N ATOM 1427 CA ALA A 96 14.962 -13.886 4.563 1.00 0.00 C ATOM 1428 C ALA A 96 14.887 -12.434 4.089 1.00 0.00 C ATOM 1429 O ALA A 96 15.795 -11.646 4.355 1.00 0.00 O ATOM 1430 CB ALA A 96 15.604 -14.754 3.491 1.00 0.00 C ATOM 0 H ALA A 96 12.863 -13.948 4.477 1.00 0.00 H new ATOM 0 HA ALA A 96 15.576 -13.901 5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.582 -14.348 3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.722 -15.770 3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 96 14.969 -14.767 2.605 1.00 0.00 H new ATOM 1436 N MET A 97 13.822 -12.084 3.374 1.00 0.00 N ATOM 1437 CA MET A 97 13.670 -10.725 2.860 1.00 0.00 C ATOM 1438 C MET A 97 12.942 -9.813 3.848 1.00 0.00 C ATOM 1439 O MET A 97 13.555 -8.945 4.468 1.00 0.00 O ATOM 1440 CB MET A 97 12.919 -10.738 1.524 1.00 0.00 C ATOM 1441 CG MET A 97 13.416 -9.702 0.525 1.00 0.00 C ATOM 1442 SD MET A 97 13.632 -8.066 1.255 1.00 0.00 S ATOM 1443 CE MET A 97 13.666 -7.041 -0.214 1.00 0.00 C ATOM 0 H MET A 97 13.057 -12.716 3.138 1.00 0.00 H new ATOM 0 HA MET A 97 14.674 -10.326 2.713 1.00 0.00 H new ATOM 0 HB2 MET A 97 13.007 -11.729 1.079 1.00 0.00 H new ATOM 0 HB3 MET A 97 11.859 -10.567 1.713 1.00 0.00 H new ATOM 0 HG2 MET A 97 14.366 -10.035 0.106 1.00 0.00 H new ATOM 0 HG3 MET A 97 12.709 -9.634 -0.302 1.00 0.00 H new ATOM 0 HE1 MET A 97 13.403 -6.017 0.051 1.00 0.00 H new ATOM 0 HE2 MET A 97 14.666 -7.059 -0.647 1.00 0.00 H new ATOM 0 HE3 MET A 97 12.949 -7.423 -0.941 1.00 0.00 H new ATOM 1453 N VAL A 98 11.631 -9.995 3.967 1.00 0.00 N ATOM 1454 CA VAL A 98 10.822 -9.166 4.851 1.00 0.00 C ATOM 1455 C VAL A 98 11.136 -9.397 6.329 1.00 0.00 C ATOM 1456 O VAL A 98 11.375 -8.445 7.070 1.00 0.00 O ATOM 1457 CB VAL A 98 9.309 -9.372 4.595 1.00 0.00 C ATOM 1458 CG1 VAL A 98 8.773 -10.599 5.322 1.00 0.00 C ATOM 1459 CG2 VAL A 98 8.535 -8.130 5.000 1.00 0.00 C ATOM 0 H VAL A 98 11.107 -10.709 3.462 1.00 0.00 H new ATOM 0 HA VAL A 98 11.084 -8.135 4.615 1.00 0.00 H new ATOM 0 HB VAL A 98 9.173 -9.543 3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.708 -10.708 5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.302 -11.487 4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.925 -10.481 6.395 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.472 -8.287 4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.694 -7.932 6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.883 -7.278 4.416 1.00 0.00 H new ATOM 1469 N SER A 99 11.131 -10.652 6.764 1.00 0.00 N ATOM 1470 CA SER A 99 11.400 -10.961 8.162 1.00 0.00 C ATOM 1471 C SER A 99 12.797 -10.515 8.592 1.00 0.00 C ATOM 1472 O SER A 99 13.145 -10.610 9.769 1.00 0.00 O ATOM 1473 CB SER A 99 11.228 -12.451 8.437 1.00 0.00 C ATOM 1474 OG SER A 99 12.299 -13.202 7.891 1.00 0.00 O ATOM 0 H SER A 99 10.946 -11.464 6.175 1.00 0.00 H new ATOM 0 HA SER A 99 10.672 -10.402 8.750 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.173 -12.621 9.512 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.285 -12.795 8.011 1.00 0.00 H new ATOM 0 HG SER A 99 12.449 -14.002 8.436 1.00 0.00 H new ATOM 1480 N LYS A 100 13.602 -10.042 7.644 1.00 0.00 N ATOM 1481 CA LYS A 100 14.955 -9.607 7.953 1.00 0.00 C ATOM 1482 C LYS A 100 14.968 -8.326 8.769 1.00 0.00 C ATOM 1483 O LYS A 100 15.499 -8.297 9.880 1.00 0.00 O ATOM 1484 CB LYS A 100 15.764 -9.422 6.668 1.00 0.00 C ATOM 1485 CG LYS A 100 17.201 -8.985 6.908 1.00 0.00 C ATOM 1486 CD LYS A 100 17.347 -7.473 6.831 1.00 0.00 C ATOM 1487 CE LYS A 100 16.945 -6.943 5.464 1.00 0.00 C ATOM 1488 NZ LYS A 100 17.821 -5.822 5.024 1.00 0.00 N ATOM 0 H LYS A 100 13.340 -9.952 6.662 1.00 0.00 H new ATOM 0 HA LYS A 100 15.416 -10.388 8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 100 15.767 -10.360 6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 100 15.268 -8.681 6.040 1.00 0.00 H new ATOM 0 HG2 LYS A 100 17.529 -9.333 7.887 1.00 0.00 H new ATOM 0 HG3 LYS A 100 17.852 -9.452 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 100 16.729 -7.007 7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 100 18.380 -7.195 7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 100 16.993 -7.750 4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 100 15.910 -6.604 5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 17.514 -5.489 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 17.756 -5.041 5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 18.806 -6.152 4.968 1.00 0.00 H new ATOM 1502 N ASN A 101 14.390 -7.270 8.224 1.00 0.00 N ATOM 1503 CA ASN A 101 14.354 -6.000 8.924 1.00 0.00 C ATOM 1504 C ASN A 101 13.345 -6.055 10.058 1.00 0.00 C ATOM 1505 O ASN A 101 13.670 -5.732 11.200 1.00 0.00 O ATOM 1506 CB ASN A 101 14.012 -4.852 7.969 1.00 0.00 C ATOM 1507 CG ASN A 101 13.018 -5.253 6.898 1.00 0.00 C ATOM 1508 OD1 ASN A 101 11.917 -5.711 7.198 1.00 0.00 O ATOM 1509 ND2 ASN A 101 13.407 -5.088 5.640 1.00 0.00 N ATOM 0 H ASN A 101 13.943 -7.267 7.307 1.00 0.00 H new ATOM 0 HA ASN A 101 15.345 -5.813 9.337 1.00 0.00 H new ATOM 0 HB2 ASN A 101 13.605 -4.019 8.542 1.00 0.00 H new ATOM 0 HB3 ASN A 101 14.926 -4.496 7.494 1.00 0.00 H new ATOM 0 HD21 ASN A 101 12.783 -5.345 4.875 1.00 0.00 H new ATOM 0 HD22 ASN A 101 14.330 -4.704 5.438 1.00 0.00 H new ATOM 1516 N ILE A 102 12.116 -6.454 9.729 1.00 0.00 N ATOM 1517 CA ILE A 102 11.045 -6.539 10.699 1.00 0.00 C ATOM 1518 C ILE A 102 11.069 -5.350 11.645 1.00 0.00 C ATOM 1519 O ILE A 102 11.813 -5.316 12.624 1.00 0.00 O ATOM 1520 CB ILE A 102 11.088 -7.856 11.500 1.00 0.00 C ATOM 1521 CG1 ILE A 102 10.736 -9.035 10.588 1.00 0.00 C ATOM 1522 CG2 ILE A 102 10.147 -7.804 12.701 1.00 0.00 C ATOM 1523 CD1 ILE A 102 9.242 -9.231 10.363 1.00 0.00 C ATOM 0 H ILE A 102 11.844 -6.725 8.784 1.00 0.00 H new ATOM 0 HA ILE A 102 10.111 -6.524 10.137 1.00 0.00 H new ATOM 0 HB ILE A 102 12.100 -7.993 11.880 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.221 -8.889 9.623 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.149 -9.947 11.018 1.00 0.00 H new ATOM 0 HG21 ILE A 102 10.200 -8.747 13.246 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.443 -6.987 13.360 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.126 -7.641 12.356 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.082 -10.086 9.706 1.00 0.00 H new ATOM 0 HD12 ILE A 102 8.751 -9.411 11.319 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.823 -8.336 9.902 1.00 0.00 H new ATOM 1535 N GLY A 103 10.230 -4.389 11.332 1.00 0.00 N ATOM 1536 CA GLY A 103 10.127 -3.190 12.143 1.00 0.00 C ATOM 1537 C GLY A 103 10.829 -1.996 11.523 1.00 0.00 C ATOM 1538 O GLY A 103 10.992 -0.962 12.172 1.00 0.00 O ATOM 0 H GLY A 103 9.608 -4.411 10.524 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.075 -2.949 12.294 1.00 0.00 H new ATOM 0 HA3 GLY A 103 10.553 -3.385 13.127 1.00 0.00 H new ATOM 1542 N SER A 104 11.247 -2.132 10.268 1.00 0.00 N ATOM 1543 CA SER A 104 11.934 -1.050 9.573 1.00 0.00 C ATOM 1544 C SER A 104 10.941 -0.166 8.827 1.00 0.00 C ATOM 1545 O SER A 104 9.972 -0.655 8.247 1.00 0.00 O ATOM 1546 CB SER A 104 12.964 -1.614 8.594 1.00 0.00 C ATOM 1547 OG SER A 104 14.140 -2.024 9.270 1.00 0.00 O ATOM 0 H SER A 104 11.122 -2.979 9.713 1.00 0.00 H new ATOM 0 HA SER A 104 12.447 -0.443 10.319 1.00 0.00 H new ATOM 0 HB2 SER A 104 12.535 -2.461 8.058 1.00 0.00 H new ATOM 0 HB3 SER A 104 13.214 -0.859 7.849 1.00 0.00 H new ATOM 0 HG SER A 104 14.838 -2.232 8.615 1.00 0.00 H new ATOM 1553 N THR A 105 11.191 1.138 8.849 1.00 0.00 N ATOM 1554 CA THR A 105 10.323 2.094 8.175 1.00 0.00 C ATOM 1555 C THR A 105 10.817 2.375 6.759 1.00 0.00 C ATOM 1556 O THR A 105 10.035 2.738 5.880 1.00 0.00 O ATOM 1557 CB THR A 105 10.253 3.395 8.976 1.00 0.00 C ATOM 1558 OG1 THR A 105 11.457 4.131 8.843 1.00 0.00 O ATOM 1559 CG2 THR A 105 10.011 3.173 10.453 1.00 0.00 C ATOM 0 H THR A 105 11.989 1.557 9.327 1.00 0.00 H new ATOM 0 HA THR A 105 9.325 1.662 8.108 1.00 0.00 H new ATOM 0 HB THR A 105 9.407 3.945 8.563 1.00 0.00 H new ATOM 0 HG1 THR A 105 11.392 4.960 9.361 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.972 4.135 10.964 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.065 2.650 10.592 1.00 0.00 H new ATOM 0 HG23 THR A 105 10.821 2.574 10.868 1.00 0.00 H new ATOM 1567 N THR A 106 12.117 2.199 6.543 1.00 0.00 N ATOM 1568 CA THR A 106 12.711 2.431 5.233 1.00 0.00 C ATOM 1569 C THR A 106 12.347 1.307 4.267 1.00 0.00 C ATOM 1570 O THR A 106 12.246 1.521 3.059 1.00 0.00 O ATOM 1571 CB THR A 106 14.232 2.544 5.351 1.00 0.00 C ATOM 1572 OG1 THR A 106 14.603 2.946 6.657 1.00 0.00 O ATOM 1573 CG2 THR A 106 14.836 3.531 4.377 1.00 0.00 C ATOM 0 H THR A 106 12.778 1.897 7.259 1.00 0.00 H new ATOM 0 HA THR A 106 12.314 3.368 4.842 1.00 0.00 H new ATOM 0 HB THR A 106 14.615 1.550 5.119 1.00 0.00 H new ATOM 0 HG1 THR A 106 15.579 3.011 6.714 1.00 0.00 H new ATOM 0 HG21 THR A 106 15.917 3.562 4.514 1.00 0.00 H new ATOM 0 HG22 THR A 106 14.608 3.221 3.357 1.00 0.00 H new ATOM 0 HG23 THR A 106 14.419 4.522 4.557 1.00 0.00 H new ATOM 1581 N ASN A 107 12.149 0.107 4.808 1.00 0.00 N ATOM 1582 CA ASN A 107 11.796 -1.049 3.993 1.00 0.00 C ATOM 1583 C ASN A 107 10.286 -1.265 3.979 1.00 0.00 C ATOM 1584 O ASN A 107 9.764 -2.127 4.685 1.00 0.00 O ATOM 1585 CB ASN A 107 12.498 -2.304 4.513 1.00 0.00 C ATOM 1586 CG ASN A 107 12.900 -3.249 3.397 1.00 0.00 C ATOM 1587 OD1 ASN A 107 13.977 -3.844 3.431 1.00 0.00 O ATOM 1588 ND2 ASN A 107 12.036 -3.391 2.397 1.00 0.00 N ATOM 0 H ASN A 107 12.227 -0.088 5.806 1.00 0.00 H new ATOM 0 HA ASN A 107 12.127 -0.855 2.973 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.385 -2.013 5.076 1.00 0.00 H new ATOM 0 HB3 ASN A 107 11.837 -2.825 5.206 1.00 0.00 H new ATOM 0 HD21 ASN A 107 12.255 -4.012 1.618 1.00 0.00 H new ATOM 0 HD22 ASN A 107 11.154 -2.879 2.408 1.00 0.00 H new ATOM 1595 N THR A 108 9.592 -0.476 3.167 1.00 0.00 N ATOM 1596 CA THR A 108 8.143 -0.576 3.054 1.00 0.00 C ATOM 1597 C THR A 108 7.746 -1.537 1.935 1.00 0.00 C ATOM 1598 O THR A 108 6.682 -2.152 1.981 1.00 0.00 O ATOM 1599 CB THR A 108 7.543 0.802 2.781 1.00 0.00 C ATOM 1600 OG1 THR A 108 6.127 0.745 2.781 1.00 0.00 O ATOM 1601 CG2 THR A 108 7.983 1.380 1.455 1.00 0.00 C ATOM 0 H THR A 108 10.011 0.242 2.576 1.00 0.00 H new ATOM 0 HA THR A 108 7.756 -0.962 3.997 1.00 0.00 H new ATOM 0 HB THR A 108 7.905 1.445 3.583 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.764 1.638 2.606 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.526 2.359 1.315 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.068 1.482 1.445 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.673 0.716 0.648 1.00 0.00 H new ATOM 1609 N SER A 109 8.607 -1.650 0.925 1.00 0.00 N ATOM 1610 CA SER A 109 8.348 -2.526 -0.216 1.00 0.00 C ATOM 1611 C SER A 109 7.850 -3.896 0.232 1.00 0.00 C ATOM 1612 O SER A 109 7.124 -4.572 -0.499 1.00 0.00 O ATOM 1613 CB SER A 109 9.616 -2.684 -1.057 1.00 0.00 C ATOM 1614 OG SER A 109 10.003 -1.450 -1.634 1.00 0.00 O ATOM 0 H SER A 109 9.492 -1.145 0.874 1.00 0.00 H new ATOM 0 HA SER A 109 7.567 -2.063 -0.819 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.424 -3.067 -0.434 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.445 -3.419 -1.844 1.00 0.00 H new ATOM 0 HG SER A 109 10.817 -1.578 -2.165 1.00 0.00 H new ATOM 1620 N LEU A 110 8.244 -4.304 1.433 1.00 0.00 N ATOM 1621 CA LEU A 110 7.836 -5.596 1.969 1.00 0.00 C ATOM 1622 C LEU A 110 6.672 -5.454 2.941 1.00 0.00 C ATOM 1623 O LEU A 110 5.945 -6.414 3.191 1.00 0.00 O ATOM 1624 CB LEU A 110 9.008 -6.278 2.669 1.00 0.00 C ATOM 1625 CG LEU A 110 10.375 -6.036 2.038 1.00 0.00 C ATOM 1626 CD1 LEU A 110 11.469 -6.237 3.074 1.00 0.00 C ATOM 1627 CD2 LEU A 110 10.575 -6.959 0.844 1.00 0.00 C ATOM 0 H LEU A 110 8.844 -3.760 2.052 1.00 0.00 H new ATOM 0 HA LEU A 110 7.509 -6.210 1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.039 -5.938 3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 110 8.821 -7.352 2.691 1.00 0.00 H new ATOM 0 HG LEU A 110 10.427 -5.007 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 110 12.442 -6.062 2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 110 11.325 -5.536 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.426 -7.257 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.555 -6.776 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 110 10.513 -7.997 1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.801 -6.766 0.101 1.00 0.00 H new ATOM 1639 N ASP A 111 6.492 -4.257 3.484 1.00 0.00 N ATOM 1640 CA ASP A 111 5.423 -4.007 4.408 1.00 0.00 C ATOM 1641 C ASP A 111 4.106 -3.987 3.666 1.00 0.00 C ATOM 1642 O ASP A 111 3.591 -2.923 3.328 1.00 0.00 O ATOM 1643 CB ASP A 111 5.646 -2.675 5.127 1.00 0.00 C ATOM 1644 CG ASP A 111 5.093 -2.677 6.538 1.00 0.00 C ATOM 1645 OD1 ASP A 111 3.920 -3.068 6.717 1.00 0.00 O ATOM 1646 OD2 ASP A 111 5.832 -2.285 7.466 1.00 0.00 O ATOM 0 H ASP A 111 7.082 -3.448 3.291 1.00 0.00 H new ATOM 0 HA ASP A 111 5.401 -4.802 5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 111 6.714 -2.457 5.159 1.00 0.00 H new ATOM 0 HB3 ASP A 111 5.175 -1.875 4.557 1.00 0.00 H new ATOM 1651 N LEU A 112 3.551 -5.172 3.421 1.00 0.00 N ATOM 1652 CA LEU A 112 2.268 -5.269 2.728 1.00 0.00 C ATOM 1653 C LEU A 112 1.274 -4.305 3.368 1.00 0.00 C ATOM 1654 O LEU A 112 0.281 -3.909 2.760 1.00 0.00 O ATOM 1655 CB LEU A 112 1.710 -6.701 2.761 1.00 0.00 C ATOM 1656 CG LEU A 112 2.545 -7.735 3.520 1.00 0.00 C ATOM 1657 CD1 LEU A 112 1.706 -8.942 3.922 1.00 0.00 C ATOM 1658 CD2 LEU A 112 3.740 -8.178 2.691 1.00 0.00 C ATOM 0 H LEU A 112 3.962 -6.067 3.687 1.00 0.00 H new ATOM 0 HA LEU A 112 2.424 -5.003 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.715 -6.671 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.589 -7.045 1.734 1.00 0.00 H new ATOM 0 HG LEU A 112 2.908 -7.258 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.330 -9.656 4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.888 -8.618 4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.299 -9.416 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.319 -8.913 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.391 -8.624 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.368 -7.315 2.468 1.00 0.00 H new ATOM 1670 N ASN A 113 1.580 -3.926 4.606 1.00 0.00 N ATOM 1671 CA ASN A 113 0.776 -3.003 5.372 1.00 0.00 C ATOM 1672 C ASN A 113 1.222 -1.573 5.116 1.00 0.00 C ATOM 1673 O ASN A 113 0.408 -0.656 5.025 1.00 0.00 O ATOM 1674 CB ASN A 113 0.951 -3.317 6.849 1.00 0.00 C ATOM 1675 CG ASN A 113 -0.294 -3.924 7.463 1.00 0.00 C ATOM 1676 OD1 ASN A 113 -1.088 -4.570 6.779 1.00 0.00 O ATOM 1677 ND2 ASN A 113 -0.470 -3.720 8.763 1.00 0.00 N ATOM 0 H ASN A 113 2.405 -4.260 5.104 1.00 0.00 H new ATOM 0 HA ASN A 113 -0.268 -3.106 5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.787 -4.005 6.975 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.208 -2.403 7.384 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.289 -4.105 9.233 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.214 -3.178 9.291 1.00 0.00 H new ATOM 1684 N LYS A 114 2.535 -1.396 5.031 1.00 0.00 N ATOM 1685 CA LYS A 114 3.125 -0.084 4.823 1.00 0.00 C ATOM 1686 C LYS A 114 3.028 0.726 6.105 1.00 0.00 C ATOM 1687 O LYS A 114 2.915 1.951 6.072 1.00 0.00 O ATOM 1688 CB LYS A 114 2.434 0.663 3.683 1.00 0.00 C ATOM 1689 CG LYS A 114 2.119 -0.208 2.477 1.00 0.00 C ATOM 1690 CD LYS A 114 3.038 0.106 1.307 1.00 0.00 C ATOM 1691 CE LYS A 114 3.195 -1.093 0.386 1.00 0.00 C ATOM 1692 NZ LYS A 114 4.447 -1.017 -0.417 1.00 0.00 N ATOM 0 H LYS A 114 3.214 -2.153 5.104 1.00 0.00 H new ATOM 0 HA LYS A 114 4.171 -0.219 4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.507 1.098 4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.069 1.490 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.221 -1.259 2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.082 -0.055 2.178 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.637 0.949 0.744 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.016 0.409 1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.199 -2.008 0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.337 -1.151 -0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 4.516 -1.853 -1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.433 -0.157 -1.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.268 -0.988 0.221 1.00 0.00 H new ATOM 1706 N ASP A 115 3.072 0.029 7.237 1.00 0.00 N ATOM 1707 CA ASP A 115 2.988 0.687 8.530 1.00 0.00 C ATOM 1708 C ASP A 115 4.342 1.271 8.930 1.00 0.00 C ATOM 1709 O ASP A 115 4.473 1.876 9.994 1.00 0.00 O ATOM 1710 CB ASP A 115 2.496 -0.300 9.594 1.00 0.00 C ATOM 1711 CG ASP A 115 2.382 0.336 10.967 1.00 0.00 C ATOM 1712 OD1 ASP A 115 1.343 0.973 11.242 1.00 0.00 O ATOM 1713 OD2 ASP A 115 3.331 0.196 11.767 1.00 0.00 O ATOM 0 H ASP A 115 3.165 -0.986 7.282 1.00 0.00 H new ATOM 0 HA ASP A 115 2.274 1.507 8.454 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.524 -0.694 9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 115 3.181 -1.146 9.645 1.00 0.00 H new ATOM 1718 N GLY A 116 5.350 1.083 8.076 1.00 0.00 N ATOM 1719 CA GLY A 116 6.672 1.598 8.377 1.00 0.00 C ATOM 1720 C GLY A 116 7.411 0.701 9.341 1.00 0.00 C ATOM 1721 O GLY A 116 8.188 1.166 10.174 1.00 0.00 O ATOM 0 H GLY A 116 5.272 0.587 7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.245 1.693 7.455 1.00 0.00 H new ATOM 0 HA3 GLY A 116 6.586 2.598 8.803 1.00 0.00 H new ATOM 1725 N SER A 117 7.153 -0.594 9.228 1.00 0.00 N ATOM 1726 CA SER A 117 7.780 -1.584 10.092 1.00 0.00 C ATOM 1727 C SER A 117 7.383 -2.977 9.672 1.00 0.00 C ATOM 1728 O SER A 117 6.226 -3.374 9.812 1.00 0.00 O ATOM 1729 CB SER A 117 7.368 -1.365 11.551 1.00 0.00 C ATOM 1730 OG SER A 117 8.430 -0.807 12.306 1.00 0.00 O ATOM 0 H SER A 117 6.509 -0.986 8.541 1.00 0.00 H new ATOM 0 HA SER A 117 8.860 -1.471 10.002 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.503 -0.703 11.592 1.00 0.00 H new ATOM 0 HB3 SER A 117 7.064 -2.314 11.992 1.00 0.00 H new ATOM 0 HG SER A 117 8.728 0.026 11.885 1.00 0.00 H new ATOM 1736 N ILE A 118 8.348 -3.730 9.184 1.00 0.00 N ATOM 1737 CA ILE A 118 8.084 -5.085 8.783 1.00 0.00 C ATOM 1738 C ILE A 118 7.732 -5.901 10.008 1.00 0.00 C ATOM 1739 O ILE A 118 8.553 -6.163 10.876 1.00 0.00 O ATOM 1740 CB ILE A 118 9.273 -5.688 8.016 1.00 0.00 C ATOM 1741 CG1 ILE A 118 9.348 -5.076 6.611 1.00 0.00 C ATOM 1742 CG2 ILE A 118 9.176 -7.203 7.946 1.00 0.00 C ATOM 1743 CD1 ILE A 118 8.015 -4.990 5.885 1.00 0.00 C ATOM 0 H ILE A 118 9.313 -3.424 9.059 1.00 0.00 H new ATOM 0 HA ILE A 118 7.239 -5.098 8.095 1.00 0.00 H new ATOM 0 HB ILE A 118 10.190 -5.448 8.555 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.770 -4.074 6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 118 10.037 -5.667 6.008 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.031 -7.597 7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.171 -7.614 8.955 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.256 -7.485 7.435 1.00 0.00 H new ATOM 0 HD11 ILE A 118 8.165 -4.545 4.901 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.597 -5.990 5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.326 -4.373 6.461 1.00 0.00 H new ATOM 1755 N ASP A 119 6.478 -6.242 10.092 1.00 0.00 N ATOM 1756 CA ASP A 119 5.972 -6.980 11.244 1.00 0.00 C ATOM 1757 C ASP A 119 5.074 -8.152 10.840 1.00 0.00 C ATOM 1758 O ASP A 119 5.281 -8.781 9.804 1.00 0.00 O ATOM 1759 CB ASP A 119 5.231 -6.017 12.177 1.00 0.00 C ATOM 1760 CG ASP A 119 5.457 -6.342 13.641 1.00 0.00 C ATOM 1761 OD1 ASP A 119 5.249 -7.511 14.030 1.00 0.00 O ATOM 1762 OD2 ASP A 119 5.843 -5.427 14.400 1.00 0.00 O ATOM 0 H ASP A 119 5.777 -6.027 9.383 1.00 0.00 H new ATOM 0 HA ASP A 119 6.824 -7.414 11.767 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.561 -4.997 11.979 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.163 -6.054 11.960 1.00 0.00 H new ATOM 1767 N GLU A 120 4.087 -8.451 11.682 1.00 0.00 N ATOM 1768 CA GLU A 120 3.167 -9.558 11.430 1.00 0.00 C ATOM 1769 C GLU A 120 2.255 -9.274 10.239 1.00 0.00 C ATOM 1770 O GLU A 120 1.599 -10.178 9.721 1.00 0.00 O ATOM 1771 CB GLU A 120 2.323 -9.836 12.675 1.00 0.00 C ATOM 1772 CG GLU A 120 2.977 -10.802 13.650 1.00 0.00 C ATOM 1773 CD GLU A 120 1.970 -11.491 14.549 1.00 0.00 C ATOM 1774 OE1 GLU A 120 1.410 -12.526 14.132 1.00 0.00 O ATOM 1775 OE2 GLU A 120 1.742 -10.996 15.673 1.00 0.00 O ATOM 0 H GLU A 120 3.904 -7.941 12.546 1.00 0.00 H new ATOM 0 HA GLU A 120 3.766 -10.437 11.192 1.00 0.00 H new ATOM 0 HB2 GLU A 120 2.125 -8.894 13.187 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.359 -10.241 12.367 1.00 0.00 H new ATOM 0 HG2 GLU A 120 3.535 -11.554 13.092 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.697 -10.261 14.264 1.00 0.00 H new ATOM 1782 N TYR A 121 2.214 -8.018 9.808 1.00 0.00 N ATOM 1783 CA TYR A 121 1.378 -7.627 8.679 1.00 0.00 C ATOM 1784 C TYR A 121 2.039 -7.985 7.349 1.00 0.00 C ATOM 1785 O TYR A 121 1.376 -8.000 6.316 1.00 0.00 O ATOM 1786 CB TYR A 121 1.065 -6.125 8.708 1.00 0.00 C ATOM 1787 CG TYR A 121 1.702 -5.355 9.848 1.00 0.00 C ATOM 1788 CD1 TYR A 121 1.328 -5.584 11.166 1.00 0.00 C ATOM 1789 CD2 TYR A 121 2.675 -4.397 9.599 1.00 0.00 C ATOM 1790 CE1 TYR A 121 1.908 -4.880 12.204 1.00 0.00 C ATOM 1791 CE2 TYR A 121 3.260 -3.689 10.631 1.00 0.00 C ATOM 1792 CZ TYR A 121 2.874 -3.934 11.933 1.00 0.00 C ATOM 1793 OH TYR A 121 3.453 -3.231 12.964 1.00 0.00 O ATOM 0 H TYR A 121 2.749 -7.255 10.222 1.00 0.00 H new ATOM 0 HA TYR A 121 0.444 -8.182 8.769 1.00 0.00 H new ATOM 0 HB2 TYR A 121 1.391 -5.684 7.766 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.016 -5.996 8.763 1.00 0.00 H new ATOM 0 HD1 TYR A 121 0.572 -6.324 11.383 1.00 0.00 H new ATOM 0 HD2 TYR A 121 2.980 -4.202 8.581 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.606 -5.070 13.223 1.00 0.00 H new ATOM 0 HE2 TYR A 121 4.016 -2.947 10.420 1.00 0.00 H new ATOM 0 HH TYR A 121 4.114 -2.605 12.602 1.00 0.00 H new ATOM 1803 N GLU A 122 3.345 -8.260 7.375 1.00 0.00 N ATOM 1804 CA GLU A 122 4.080 -8.608 6.155 1.00 0.00 C ATOM 1805 C GLU A 122 4.131 -10.114 5.927 1.00 0.00 C ATOM 1806 O GLU A 122 4.502 -10.580 4.851 1.00 0.00 O ATOM 1807 CB GLU A 122 5.508 -8.059 6.187 1.00 0.00 C ATOM 1808 CG GLU A 122 5.762 -7.031 7.272 1.00 0.00 C ATOM 1809 CD GLU A 122 4.798 -5.862 7.216 1.00 0.00 C ATOM 1810 OE1 GLU A 122 3.887 -5.880 6.362 1.00 0.00 O ATOM 1811 OE2 GLU A 122 4.957 -4.929 8.030 1.00 0.00 O ATOM 0 H GLU A 122 3.913 -8.249 8.222 1.00 0.00 H new ATOM 0 HA GLU A 122 3.535 -8.149 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 122 6.200 -8.890 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 122 5.733 -7.611 5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 122 5.685 -7.513 8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.782 -6.658 7.181 1.00 0.00 H new ATOM 1818 N ILE A 123 3.774 -10.863 6.951 1.00 0.00 N ATOM 1819 CA ILE A 123 3.793 -12.320 6.885 1.00 0.00 C ATOM 1820 C ILE A 123 2.428 -12.890 6.513 1.00 0.00 C ATOM 1821 O ILE A 123 2.329 -14.025 6.054 1.00 0.00 O ATOM 1822 CB ILE A 123 4.242 -12.941 8.225 1.00 0.00 C ATOM 1823 CG1 ILE A 123 5.282 -12.051 8.914 1.00 0.00 C ATOM 1824 CG2 ILE A 123 4.805 -14.336 7.997 1.00 0.00 C ATOM 1825 CD1 ILE A 123 6.451 -11.682 8.026 1.00 0.00 C ATOM 0 H ILE A 123 3.464 -10.488 7.848 1.00 0.00 H new ATOM 0 HA ILE A 123 4.511 -12.579 6.107 1.00 0.00 H new ATOM 0 HB ILE A 123 3.372 -13.017 8.877 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.796 -11.138 9.257 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.657 -12.564 9.799 1.00 0.00 H new ATOM 0 HG21 ILE A 123 5.118 -14.762 8.950 1.00 0.00 H new ATOM 0 HG22 ILE A 123 4.038 -14.969 7.550 1.00 0.00 H new ATOM 0 HG23 ILE A 123 5.663 -14.277 7.327 1.00 0.00 H new ATOM 0 HD11 ILE A 123 7.145 -11.052 8.582 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.963 -12.588 7.703 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.088 -11.140 7.153 1.00 0.00 H new ATOM 1837 N SER A 124 1.379 -12.103 6.718 1.00 0.00 N ATOM 1838 CA SER A 124 0.018 -12.536 6.410 1.00 0.00 C ATOM 1839 C SER A 124 -0.073 -13.190 5.029 1.00 0.00 C ATOM 1840 O SER A 124 -0.961 -14.006 4.780 1.00 0.00 O ATOM 1841 CB SER A 124 -0.940 -11.347 6.487 1.00 0.00 C ATOM 1842 OG SER A 124 -0.248 -10.124 6.304 1.00 0.00 O ATOM 0 H SER A 124 1.443 -11.158 7.097 1.00 0.00 H new ATOM 0 HA SER A 124 -0.266 -13.284 7.151 1.00 0.00 H new ATOM 0 HB2 SER A 124 -1.713 -11.449 5.726 1.00 0.00 H new ATOM 0 HB3 SER A 124 -1.443 -11.343 7.454 1.00 0.00 H new ATOM 0 HG SER A 124 -0.616 -9.446 6.909 1.00 0.00 H new ATOM 1848 N PHE A 125 0.840 -12.824 4.135 1.00 0.00 N ATOM 1849 CA PHE A 125 0.847 -13.373 2.781 1.00 0.00 C ATOM 1850 C PHE A 125 1.614 -14.691 2.705 1.00 0.00 C ATOM 1851 O PHE A 125 1.040 -15.742 2.420 1.00 0.00 O ATOM 1852 CB PHE A 125 1.470 -12.372 1.809 1.00 0.00 C ATOM 1853 CG PHE A 125 0.997 -12.535 0.394 1.00 0.00 C ATOM 1854 CD1 PHE A 125 1.244 -13.706 -0.303 1.00 0.00 C ATOM 1855 CD2 PHE A 125 0.302 -11.517 -0.237 1.00 0.00 C ATOM 1856 CE1 PHE A 125 0.807 -13.858 -1.606 1.00 0.00 C ATOM 1857 CE2 PHE A 125 -0.137 -11.662 -1.539 1.00 0.00 C ATOM 1858 CZ PHE A 125 0.116 -12.834 -2.224 1.00 0.00 C ATOM 0 H PHE A 125 1.584 -12.151 4.322 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.190 -13.565 2.505 1.00 0.00 H new ATOM 0 HB2 PHE A 125 1.241 -11.361 2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 125 2.554 -12.479 1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 125 1.784 -14.509 0.176 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.101 -10.599 0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.006 -14.776 -2.140 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -0.677 -10.860 -2.020 1.00 0.00 H new ATOM 0 HZ PHE A 125 -0.226 -12.950 -3.242 1.00 0.00 H new ATOM 1868 N ILE A 126 2.917 -14.619 2.945 1.00 0.00 N ATOM 1869 CA ILE A 126 3.780 -15.802 2.887 1.00 0.00 C ATOM 1870 C ILE A 126 3.560 -16.731 4.079 1.00 0.00 C ATOM 1871 O ILE A 126 4.097 -17.837 4.117 1.00 0.00 O ATOM 1872 CB ILE A 126 5.291 -15.446 2.794 1.00 0.00 C ATOM 1873 CG1 ILE A 126 5.558 -13.973 3.153 1.00 0.00 C ATOM 1874 CG2 ILE A 126 5.827 -15.767 1.401 1.00 0.00 C ATOM 1875 CD1 ILE A 126 5.220 -12.991 2.046 1.00 0.00 C ATOM 0 H ILE A 126 3.404 -13.755 3.182 1.00 0.00 H new ATOM 0 HA ILE A 126 3.492 -16.318 1.971 1.00 0.00 H new ATOM 0 HB ILE A 126 5.819 -16.057 3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 126 4.979 -13.716 4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 126 6.610 -13.860 3.415 1.00 0.00 H new ATOM 0 HG21 ILE A 126 6.886 -15.513 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 126 5.699 -16.830 1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 126 5.279 -15.188 0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.437 -11.977 2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 126 5.818 -13.218 1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 126 4.162 -13.072 1.798 1.00 0.00 H new ATOM 1887 N ASN A 127 2.776 -16.287 5.054 1.00 0.00 N ATOM 1888 CA ASN A 127 2.503 -17.098 6.236 1.00 0.00 C ATOM 1889 C ASN A 127 2.029 -18.497 5.843 1.00 0.00 C ATOM 1890 O ASN A 127 2.694 -19.491 6.135 1.00 0.00 O ATOM 1891 CB ASN A 127 1.452 -16.423 7.120 1.00 0.00 C ATOM 1892 CG ASN A 127 2.058 -15.816 8.371 1.00 0.00 C ATOM 1893 OD1 ASN A 127 3.087 -16.279 8.864 1.00 0.00 O ATOM 1894 ND2 ASN A 127 1.422 -14.773 8.892 1.00 0.00 N ATOM 0 H ASN A 127 2.320 -15.375 5.051 1.00 0.00 H new ATOM 0 HA ASN A 127 3.432 -17.192 6.798 1.00 0.00 H new ATOM 0 HB2 ASN A 127 0.946 -15.644 6.549 1.00 0.00 H new ATOM 0 HB3 ASN A 127 0.695 -17.154 7.403 1.00 0.00 H new ATOM 0 HD21 ASN A 127 1.783 -14.323 9.733 1.00 0.00 H new ATOM 0 HD22 ASN A 127 0.572 -14.422 8.451 1.00 0.00 H new ATOM 1901 N HIS A 128 0.875 -18.565 5.187 1.00 0.00 N ATOM 1902 CA HIS A 128 0.314 -19.842 4.762 1.00 0.00 C ATOM 1903 C HIS A 128 0.725 -20.196 3.336 1.00 0.00 C ATOM 1904 O HIS A 128 0.733 -21.367 2.960 1.00 0.00 O ATOM 1905 CB HIS A 128 -1.212 -19.813 4.873 1.00 0.00 C ATOM 1906 CG HIS A 128 -1.720 -20.170 6.236 1.00 0.00 C ATOM 1907 ND1 HIS A 128 -2.331 -21.373 6.519 1.00 0.00 N ATOM 1908 CD2 HIS A 128 -1.705 -19.474 7.398 1.00 0.00 C ATOM 1909 CE1 HIS A 128 -2.671 -21.402 7.796 1.00 0.00 C ATOM 1910 NE2 HIS A 128 -2.302 -20.263 8.351 1.00 0.00 N ATOM 0 H HIS A 128 0.311 -17.752 4.939 1.00 0.00 H new ATOM 0 HA HIS A 128 0.712 -20.611 5.424 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -1.568 -18.817 4.611 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -1.634 -20.505 4.144 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -1.300 -18.484 7.547 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -3.167 -22.219 8.300 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -2.438 -20.009 9.330 1.00 0.00 H new ATOM 1919 N ARG A 129 1.063 -19.182 2.542 1.00 0.00 N ATOM 1920 CA ARG A 129 1.471 -19.401 1.156 1.00 0.00 C ATOM 1921 C ARG A 129 2.497 -20.529 1.057 1.00 0.00 C ATOM 1922 O ARG A 129 2.528 -21.272 0.076 1.00 0.00 O ATOM 1923 CB ARG A 129 2.054 -18.117 0.563 1.00 0.00 C ATOM 1924 CG ARG A 129 2.143 -18.132 -0.954 1.00 0.00 C ATOM 1925 CD ARG A 129 0.786 -18.390 -1.589 1.00 0.00 C ATOM 1926 NE ARG A 129 0.808 -18.175 -3.034 1.00 0.00 N ATOM 1927 CZ ARG A 129 1.408 -18.993 -3.896 1.00 0.00 C ATOM 1928 NH1 ARG A 129 2.036 -20.080 -3.463 1.00 0.00 N ATOM 1929 NH2 ARG A 129 1.381 -18.724 -5.194 1.00 0.00 N ATOM 0 H ARG A 129 1.063 -18.204 2.833 1.00 0.00 H new ATOM 0 HA ARG A 129 0.586 -19.688 0.588 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.440 -17.272 0.874 1.00 0.00 H new ATOM 0 HB3 ARG A 129 3.050 -17.956 0.975 1.00 0.00 H new ATOM 0 HG2 ARG A 129 2.535 -17.178 -1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.846 -18.902 -1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 129 0.477 -19.414 -1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 129 0.043 -17.733 -1.136 1.00 0.00 H new ATOM 0 HE ARG A 129 0.336 -17.350 -3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 129 2.060 -20.292 -2.465 1.00 0.00 H new ATOM 0 HH12 ARG A 129 2.494 -20.703 -4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 129 0.900 -17.890 -5.532 1.00 0.00 H new ATOM 0 HH22 ARG A 129 1.841 -19.351 -5.854 1.00 0.00 H new ATOM 1943 N ILE A 130 3.329 -20.650 2.086 1.00 0.00 N ATOM 1944 CA ILE A 130 4.353 -21.684 2.128 1.00 0.00 C ATOM 1945 C ILE A 130 3.844 -22.924 2.862 1.00 0.00 C ATOM 1946 O ILE A 130 3.999 -24.047 2.383 1.00 0.00 O ATOM 1947 CB ILE A 130 5.639 -21.165 2.811 1.00 0.00 C ATOM 1948 CG1 ILE A 130 6.332 -20.137 1.918 1.00 0.00 C ATOM 1949 CG2 ILE A 130 6.589 -22.312 3.134 1.00 0.00 C ATOM 1950 CD1 ILE A 130 5.749 -18.748 2.035 1.00 0.00 C ATOM 0 H ILE A 130 3.313 -20.041 2.904 1.00 0.00 H new ATOM 0 HA ILE A 130 4.589 -21.954 1.099 1.00 0.00 H new ATOM 0 HB ILE A 130 5.357 -20.686 3.749 1.00 0.00 H new ATOM 0 HG12 ILE A 130 7.391 -20.101 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 130 6.265 -20.465 0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 130 7.485 -21.918 3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 130 6.096 -23.014 3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 130 6.866 -22.825 2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 130 6.289 -18.070 1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 130 4.697 -18.770 1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 130 5.840 -18.401 3.064 1.00 0.00 H new