USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 631 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 14 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 19 GLN : amide:sc= 0 X(o=-0.83,f=-0.86) USER MOD Set 1.3: A 21 HIS : no HD1:sc= -0.834 K(o=-0.83,f=-6.4!) USER MOD Set 2.1: A 7 GLN : amide:sc= 0.67 K(o=0.39,f=-1.1) USER MOD Set 2.2: A 8 TYR OH : rot -155:sc= 1.07 USER MOD Set 2.3: A 44 ASN : amide:sc= -2.23! C(o=0.39!,f=0.096!) USER MOD Set 2.4: A 82 HIS : no HD1:sc= 0.88 K(o=0.39,f=-0.63) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= -0.221 (180deg=-0.881) USER MOD Single : A 18 THR OG1 : rot 71:sc= 0.447 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 165:sc= -0.158 (180deg=-0.602) USER MOD Single : A 30 TYR OH : rot 100:sc= 1.31 USER MOD Single : A 32 THR OG1 : rot -165:sc= 1.17 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.49) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.18) USER MOD Single : A 41 GLN :FLIP amide:sc= 0.485 F(o=-0.39,f=0.49) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 52 SER OG : rot -55:sc= -0.613 USER MOD Single : A 53 HIS : no HE2:sc= -0.52 K(o=-0.52,f=-3.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -138:sc= -0.412 (180deg=-6.99!) USER MOD Single : A 60 ASN : amide:sc= 0.0445 X(o=0.044,f=-0.0084) USER MOD Single : A 61 TYR OH : rot 166:sc= 0 USER MOD Single : A 65 THR OG1 : rot -110:sc= 0.0467 USER MOD Single : A 67 THR OG1 : rot -43:sc= 0.0148 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.578 -19.787 -7.914 1.00 0.00 N ATOM 2 CA GLY A 1 -13.032 -19.020 -9.031 1.00 0.00 C ATOM 3 C GLY A 1 -11.773 -18.299 -8.616 1.00 0.00 C ATOM 4 O GLY A 1 -10.694 -18.637 -9.109 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.444 -20.276 -8.219 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.877 -20.488 -7.599 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.802 -19.144 -7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.817 -19.687 -9.866 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.772 -18.300 -9.380 1.00 0.00 H new ATOM 8 N ALA A 2 -11.922 -17.277 -7.769 1.00 0.00 N ATOM 9 CA ALA A 2 -10.888 -16.367 -7.314 1.00 0.00 C ATOM 10 C ALA A 2 -9.748 -17.122 -6.631 1.00 0.00 C ATOM 11 O ALA A 2 -9.735 -17.315 -5.415 1.00 0.00 O ATOM 12 CB ALA A 2 -11.507 -15.317 -6.394 1.00 0.00 C ATOM 0 H ALA A 2 -12.830 -17.056 -7.361 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.452 -15.860 -8.175 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.732 -14.632 -6.051 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.269 -14.759 -6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.963 -15.809 -5.535 1.00 0.00 H new ATOM 18 N ALA A 3 -8.785 -17.557 -7.434 1.00 0.00 N ATOM 19 CA ALA A 3 -7.548 -18.189 -7.006 1.00 0.00 C ATOM 20 C ALA A 3 -6.346 -17.332 -7.385 1.00 0.00 C ATOM 21 O ALA A 3 -5.218 -17.643 -6.994 1.00 0.00 O ATOM 22 CB ALA A 3 -7.437 -19.564 -7.655 1.00 0.00 C ATOM 0 H ALA A 3 -8.851 -17.474 -8.448 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.560 -18.296 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.511 -20.043 -7.337 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.285 -20.178 -7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.436 -19.455 -8.740 1.00 0.00 H new ATOM 28 N GLY A 4 -6.599 -16.256 -8.128 1.00 0.00 N ATOM 29 CA GLY A 4 -5.683 -15.162 -8.314 1.00 0.00 C ATOM 30 C GLY A 4 -5.854 -14.210 -7.141 1.00 0.00 C ATOM 31 O GLY A 4 -6.499 -14.518 -6.135 1.00 0.00 O ATOM 0 H GLY A 4 -7.479 -16.130 -8.628 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.657 -15.527 -8.364 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.885 -14.650 -9.255 1.00 0.00 H new ATOM 35 N ILE A 5 -5.260 -13.038 -7.273 1.00 0.00 N ATOM 36 CA ILE A 5 -5.086 -12.080 -6.196 1.00 0.00 C ATOM 37 C ILE A 5 -6.405 -11.453 -5.735 1.00 0.00 C ATOM 38 O ILE A 5 -6.456 -10.871 -4.653 1.00 0.00 O ATOM 39 CB ILE A 5 -4.083 -11.006 -6.680 1.00 0.00 C ATOM 40 CG1 ILE A 5 -4.563 -10.210 -7.918 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.729 -11.688 -6.965 1.00 0.00 C ATOM 42 CD1 ILE A 5 -3.616 -9.057 -8.270 1.00 0.00 C ATOM 0 H ILE A 5 -4.873 -12.716 -8.160 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.698 -12.597 -5.318 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.987 -10.268 -5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.645 -10.884 -8.771 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.560 -9.813 -7.728 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.011 -10.943 -7.307 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.359 -12.157 -6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.859 -12.447 -7.736 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.995 -8.529 -9.145 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.554 -8.367 -7.428 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.624 -9.454 -8.488 1.00 0.00 H new ATOM 54 N ASP A 6 -7.466 -11.565 -6.537 1.00 0.00 N ATOM 55 CA ASP A 6 -8.730 -10.856 -6.327 1.00 0.00 C ATOM 56 C ASP A 6 -9.426 -11.259 -5.019 1.00 0.00 C ATOM 57 O ASP A 6 -10.177 -10.466 -4.450 1.00 0.00 O ATOM 58 CB ASP A 6 -9.632 -11.139 -7.524 1.00 0.00 C ATOM 59 CG ASP A 6 -10.889 -10.272 -7.534 1.00 0.00 C ATOM 60 OD1 ASP A 6 -10.752 -9.051 -7.791 1.00 0.00 O ATOM 61 OD2 ASP A 6 -12.002 -10.816 -7.416 1.00 0.00 O ATOM 0 H ASP A 6 -7.471 -12.161 -7.365 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.522 -9.790 -6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.072 -10.970 -8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.921 -12.190 -7.515 1.00 0.00 H new ATOM 66 N GLN A 7 -9.113 -12.455 -4.500 1.00 0.00 N ATOM 67 CA GLN A 7 -9.594 -12.937 -3.209 1.00 0.00 C ATOM 68 C GLN A 7 -9.159 -12.038 -2.041 1.00 0.00 C ATOM 69 O GLN A 7 -9.865 -11.965 -1.037 1.00 0.00 O ATOM 70 CB GLN A 7 -9.100 -14.381 -3.001 1.00 0.00 C ATOM 71 CG GLN A 7 -7.579 -14.454 -2.797 1.00 0.00 C ATOM 72 CD GLN A 7 -7.041 -15.874 -2.834 1.00 0.00 C ATOM 73 OE1 GLN A 7 -6.916 -16.543 -1.812 1.00 0.00 O ATOM 74 NE2 GLN A 7 -6.667 -16.347 -4.007 1.00 0.00 N ATOM 0 H GLN A 7 -8.507 -13.122 -4.979 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.684 -12.911 -3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.601 -14.813 -2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.378 -14.985 -3.864 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.086 -13.865 -3.570 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.325 -14.000 -1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.778 -15.777 -4.846 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -6.267 -17.283 -4.075 1.00 0.00 H new ATOM 83 N TYR A 8 -7.996 -11.387 -2.152 1.00 0.00 N ATOM 84 CA TYR A 8 -7.426 -10.543 -1.106 1.00 0.00 C ATOM 85 C TYR A 8 -7.790 -9.074 -1.338 1.00 0.00 C ATOM 86 O TYR A 8 -7.350 -8.217 -0.568 1.00 0.00 O ATOM 87 CB TYR A 8 -5.891 -10.668 -1.108 1.00 0.00 C ATOM 88 CG TYR A 8 -5.328 -12.070 -1.055 1.00 0.00 C ATOM 89 CD1 TYR A 8 -5.313 -12.756 0.170 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.834 -12.693 -2.221 1.00 0.00 C ATOM 91 CE1 TYR A 8 -4.877 -14.087 0.222 1.00 0.00 C ATOM 92 CE2 TYR A 8 -4.402 -14.032 -2.175 1.00 0.00 C ATOM 93 CZ TYR A 8 -4.467 -14.745 -0.955 1.00 0.00 C ATOM 94 OH TYR A 8 -4.252 -16.086 -0.928 1.00 0.00 O ATOM 0 H TYR A 8 -7.416 -11.436 -2.990 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.831 -10.873 -0.150 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.510 -10.181 -2.006 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.502 -10.112 -0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.637 -12.258 1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.787 -12.142 -3.149 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.855 -14.610 1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.023 -14.512 -3.065 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.627 -16.331 -1.641 1.00 0.00 H new ATOM 104 N ALA A 9 -8.479 -8.760 -2.444 1.00 0.00 N ATOM 105 CA ALA A 9 -8.672 -7.400 -2.913 1.00 0.00 C ATOM 106 C ALA A 9 -9.822 -6.762 -2.150 1.00 0.00 C ATOM 107 O ALA A 9 -10.953 -6.680 -2.640 1.00 0.00 O ATOM 108 CB ALA A 9 -8.915 -7.389 -4.422 1.00 0.00 C ATOM 0 H ALA A 9 -8.920 -9.461 -3.039 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.772 -6.813 -2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.058 -6.363 -4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.055 -7.822 -4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.806 -7.974 -4.651 1.00 0.00 H new ATOM 114 N LEU A 10 -9.517 -6.267 -0.959 1.00 0.00 N ATOM 115 CA LEU A 10 -10.499 -5.690 -0.069 1.00 0.00 C ATOM 116 C LEU A 10 -10.967 -4.402 -0.694 1.00 0.00 C ATOM 117 O LEU A 10 -10.226 -3.756 -1.444 1.00 0.00 O ATOM 118 CB LEU A 10 -9.919 -5.419 1.323 1.00 0.00 C ATOM 119 CG LEU A 10 -9.429 -6.679 2.049 1.00 0.00 C ATOM 120 CD1 LEU A 10 -9.098 -6.321 3.494 1.00 0.00 C ATOM 121 CD2 LEU A 10 -10.454 -7.814 2.056 1.00 0.00 C ATOM 0 H LEU A 10 -8.568 -6.257 -0.585 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.324 -6.389 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.088 -4.719 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.679 -4.932 1.934 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.553 -7.035 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.749 -7.210 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.318 -5.560 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.991 -5.936 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.042 -8.673 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.363 -7.481 2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.689 -8.098 1.030 1.00 0.00 H new ATOM 133 N LYS A 11 -12.204 -4.035 -0.398 1.00 0.00 N ATOM 134 CA LYS A 11 -12.778 -2.805 -0.904 1.00 0.00 C ATOM 135 C LYS A 11 -12.828 -1.736 0.182 1.00 0.00 C ATOM 136 O LYS A 11 -13.013 -0.565 -0.148 1.00 0.00 O ATOM 137 CB LYS A 11 -14.144 -3.086 -1.541 1.00 0.00 C ATOM 138 CG LYS A 11 -15.110 -3.688 -0.513 1.00 0.00 C ATOM 139 CD LYS A 11 -16.583 -3.722 -0.936 1.00 0.00 C ATOM 140 CE LYS A 11 -17.340 -2.435 -0.610 1.00 0.00 C ATOM 141 NZ LYS A 11 -16.920 -1.289 -1.435 1.00 0.00 N ATOM 0 H LYS A 11 -12.831 -4.578 0.195 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.137 -2.403 -1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.561 -2.162 -1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.025 -3.771 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.790 -4.706 -0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.029 -3.119 0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.641 -3.906 -2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.076 -4.559 -0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.408 -2.604 -0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.192 -2.191 0.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.670 -0.569 -1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.048 -0.880 -1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.745 -1.608 -2.409 1.00 0.00 H new ATOM 155 N GLU A 12 -12.682 -2.129 1.449 1.00 0.00 N ATOM 156 CA GLU A 12 -12.580 -1.240 2.591 1.00 0.00 C ATOM 157 C GLU A 12 -11.865 -1.956 3.738 1.00 0.00 C ATOM 158 O GLU A 12 -11.829 -3.192 3.786 1.00 0.00 O ATOM 159 CB GLU A 12 -13.971 -0.714 3.002 1.00 0.00 C ATOM 160 CG GLU A 12 -14.990 -1.800 3.411 1.00 0.00 C ATOM 161 CD GLU A 12 -16.440 -1.447 3.044 1.00 0.00 C ATOM 162 OE1 GLU A 12 -16.837 -0.258 3.073 1.00 0.00 O ATOM 163 OE2 GLU A 12 -17.225 -2.359 2.702 1.00 0.00 O ATOM 0 H GLU A 12 -12.630 -3.114 1.710 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.985 -0.367 2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.848 -0.021 3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.386 -0.143 2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.720 -2.740 2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.925 -1.962 4.487 1.00 0.00 H new ATOM 170 N PHE A 13 -11.291 -1.176 4.654 1.00 0.00 N ATOM 171 CA PHE A 13 -10.632 -1.627 5.878 1.00 0.00 C ATOM 172 C PHE A 13 -10.584 -0.478 6.876 1.00 0.00 C ATOM 173 O PHE A 13 -10.957 0.648 6.537 1.00 0.00 O ATOM 174 CB PHE A 13 -9.204 -2.131 5.600 1.00 0.00 C ATOM 175 CG PHE A 13 -8.164 -1.090 5.185 1.00 0.00 C ATOM 176 CD1 PHE A 13 -8.237 -0.466 3.924 1.00 0.00 C ATOM 177 CD2 PHE A 13 -7.051 -0.825 6.011 1.00 0.00 C ATOM 178 CE1 PHE A 13 -7.234 0.429 3.510 1.00 0.00 C ATOM 179 CE2 PHE A 13 -6.021 0.029 5.569 1.00 0.00 C ATOM 180 CZ PHE A 13 -6.125 0.680 4.331 1.00 0.00 C ATOM 0 H PHE A 13 -11.273 -0.161 4.557 1.00 0.00 H new ATOM 0 HA PHE A 13 -11.206 -2.458 6.288 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.842 -2.631 6.498 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.259 -2.885 4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.070 -0.677 3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.988 -1.280 6.989 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.318 0.926 2.555 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.148 0.183 6.186 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.357 1.369 4.012 1.00 0.00 H new ATOM 190 N THR A 14 -10.060 -0.750 8.068 1.00 0.00 N ATOM 191 CA THR A 14 -9.802 0.262 9.077 1.00 0.00 C ATOM 192 C THR A 14 -8.338 0.140 9.487 1.00 0.00 C ATOM 193 O THR A 14 -7.861 -0.949 9.829 1.00 0.00 O ATOM 194 CB THR A 14 -10.770 0.096 10.260 1.00 0.00 C ATOM 195 OG1 THR A 14 -12.110 0.002 9.794 1.00 0.00 O ATOM 196 CG2 THR A 14 -10.680 1.252 11.265 1.00 0.00 C ATOM 0 H THR A 14 -9.801 -1.692 8.360 1.00 0.00 H new ATOM 0 HA THR A 14 -9.975 1.265 8.688 1.00 0.00 H new ATOM 0 HB THR A 14 -10.477 -0.821 10.770 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.715 -0.105 10.557 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.385 1.082 12.079 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.668 1.307 11.667 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.923 2.189 10.764 1.00 0.00 H new ATOM 204 N ALA A 15 -7.613 1.252 9.464 1.00 0.00 N ATOM 205 CA ALA A 15 -6.267 1.378 9.998 1.00 0.00 C ATOM 206 C ALA A 15 -6.174 2.748 10.653 1.00 0.00 C ATOM 207 O ALA A 15 -6.942 3.648 10.324 1.00 0.00 O ATOM 208 CB ALA A 15 -5.249 1.218 8.872 1.00 0.00 C ATOM 0 H ALA A 15 -7.961 2.121 9.058 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.051 0.604 10.734 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.241 1.313 9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.365 0.236 8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.413 1.991 8.121 1.00 0.00 H new ATOM 214 N ASP A 16 -5.233 2.926 11.575 1.00 0.00 N ATOM 215 CA ASP A 16 -4.930 4.208 12.226 1.00 0.00 C ATOM 216 C ASP A 16 -6.199 4.935 12.698 1.00 0.00 C ATOM 217 O ASP A 16 -6.344 6.154 12.610 1.00 0.00 O ATOM 218 CB ASP A 16 -4.024 5.049 11.302 1.00 0.00 C ATOM 219 CG ASP A 16 -2.654 5.327 11.925 1.00 0.00 C ATOM 220 OD1 ASP A 16 -1.807 4.402 11.914 1.00 0.00 O ATOM 221 OD2 ASP A 16 -2.399 6.470 12.368 1.00 0.00 O ATOM 0 H ASP A 16 -4.640 2.164 11.903 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.373 4.026 13.145 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.890 4.526 10.355 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.517 5.995 11.077 1.00 0.00 H new ATOM 226 N PHE A 17 -7.150 4.142 13.193 1.00 0.00 N ATOM 227 CA PHE A 17 -8.439 4.555 13.743 1.00 0.00 C ATOM 228 C PHE A 17 -9.315 5.293 12.724 1.00 0.00 C ATOM 229 O PHE A 17 -10.072 6.190 13.093 1.00 0.00 O ATOM 230 CB PHE A 17 -8.237 5.277 15.088 1.00 0.00 C ATOM 231 CG PHE A 17 -7.367 4.482 16.042 1.00 0.00 C ATOM 232 CD1 PHE A 17 -5.968 4.645 16.023 1.00 0.00 C ATOM 233 CD2 PHE A 17 -7.942 3.494 16.862 1.00 0.00 C ATOM 234 CE1 PHE A 17 -5.149 3.787 16.771 1.00 0.00 C ATOM 235 CE2 PHE A 17 -7.122 2.669 17.650 1.00 0.00 C ATOM 236 CZ PHE A 17 -5.723 2.804 17.593 1.00 0.00 C ATOM 0 H PHE A 17 -7.032 3.129 13.222 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.028 3.665 13.966 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.781 6.251 14.910 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.207 5.458 15.550 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.525 5.432 15.431 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.015 3.370 16.886 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.075 3.882 16.715 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.566 1.930 18.300 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.092 2.153 18.180 1.00 0.00 H new ATOM 246 N THR A 18 -9.232 4.900 11.452 1.00 0.00 N ATOM 247 CA THR A 18 -9.894 5.538 10.323 1.00 0.00 C ATOM 248 C THR A 18 -10.344 4.425 9.376 1.00 0.00 C ATOM 249 O THR A 18 -9.557 3.519 9.092 1.00 0.00 O ATOM 250 CB THR A 18 -8.885 6.469 9.625 1.00 0.00 C ATOM 251 OG1 THR A 18 -8.124 7.196 10.569 1.00 0.00 O ATOM 252 CG2 THR A 18 -9.556 7.471 8.690 1.00 0.00 C ATOM 0 H THR A 18 -8.676 4.092 11.173 1.00 0.00 H new ATOM 0 HA THR A 18 -10.754 6.130 10.636 1.00 0.00 H new ATOM 0 HB THR A 18 -8.241 5.814 9.037 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.501 6.591 11.023 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.797 8.101 8.226 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.105 6.935 7.916 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.246 8.094 9.259 1.00 0.00 H new ATOM 260 N GLN A 19 -11.596 4.450 8.919 1.00 0.00 N ATOM 261 CA GLN A 19 -12.030 3.604 7.820 1.00 0.00 C ATOM 262 C GLN A 19 -11.520 4.201 6.510 1.00 0.00 C ATOM 263 O GLN A 19 -11.470 5.427 6.354 1.00 0.00 O ATOM 264 CB GLN A 19 -13.560 3.478 7.807 1.00 0.00 C ATOM 265 CG GLN A 19 -14.032 2.457 6.764 1.00 0.00 C ATOM 266 CD GLN A 19 -15.235 1.654 7.233 1.00 0.00 C ATOM 267 OE1 GLN A 19 -16.387 1.921 6.881 1.00 0.00 O ATOM 268 NE2 GLN A 19 -14.961 0.633 8.028 1.00 0.00 N ATOM 0 H GLN A 19 -12.327 5.052 9.299 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.620 2.601 7.944 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.910 3.178 8.795 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.004 4.450 7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.285 2.978 5.840 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.213 1.776 6.532 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.996 0.442 8.299 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.714 0.037 8.370 1.00 0.00 H new ATOM 277 N PHE A 20 -11.221 3.339 5.545 1.00 0.00 N ATOM 278 CA PHE A 20 -10.807 3.706 4.205 1.00 0.00 C ATOM 279 C PHE A 20 -11.497 2.788 3.222 1.00 0.00 C ATOM 280 O PHE A 20 -11.578 1.579 3.453 1.00 0.00 O ATOM 281 CB PHE A 20 -9.300 3.505 4.044 1.00 0.00 C ATOM 282 CG PHE A 20 -8.428 4.286 5.000 1.00 0.00 C ATOM 283 CD1 PHE A 20 -8.136 5.642 4.762 1.00 0.00 C ATOM 284 CD2 PHE A 20 -7.919 3.650 6.144 1.00 0.00 C ATOM 285 CE1 PHE A 20 -7.341 6.364 5.665 1.00 0.00 C ATOM 286 CE2 PHE A 20 -7.118 4.374 7.042 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.828 5.729 6.807 1.00 0.00 C ATOM 0 H PHE A 20 -11.263 2.329 5.684 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.064 4.750 4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.079 2.444 4.164 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.023 3.775 3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.526 6.129 3.880 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.142 2.610 6.332 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.124 7.406 5.482 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.722 3.886 7.920 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.212 6.280 7.503 1.00 0.00 H new ATOM 297 N HIS A 21 -11.862 3.325 2.066 1.00 0.00 N ATOM 298 CA HIS A 21 -12.481 2.602 0.967 1.00 0.00 C ATOM 299 C HIS A 21 -11.585 2.813 -0.262 1.00 0.00 C ATOM 300 O HIS A 21 -10.567 3.515 -0.177 1.00 0.00 O ATOM 301 CB HIS A 21 -13.947 3.054 0.786 1.00 0.00 C ATOM 302 CG HIS A 21 -14.618 3.588 2.042 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.414 4.829 2.612 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.453 2.900 2.878 1.00 0.00 C ATOM 305 CE1 HIS A 21 -15.065 4.866 3.786 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.751 3.729 3.964 1.00 0.00 N ATOM 0 H HIS A 21 -11.729 4.315 1.862 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.551 1.530 1.154 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.980 3.827 0.018 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -14.528 2.210 0.414 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.818 1.895 2.726 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.039 5.690 4.483 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -16.372 3.510 4.743 1.00 0.00 H new ATOM 314 N ILE A 22 -11.870 2.158 -1.389 1.00 0.00 N ATOM 315 CA ILE A 22 -11.111 2.419 -2.613 1.00 0.00 C ATOM 316 C ILE A 22 -11.444 3.845 -3.041 1.00 0.00 C ATOM 317 O ILE A 22 -12.618 4.174 -3.245 1.00 0.00 O ATOM 318 CB ILE A 22 -11.418 1.402 -3.733 1.00 0.00 C ATOM 319 CG1 ILE A 22 -11.252 -0.070 -3.300 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.571 1.681 -4.987 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.864 -0.440 -2.762 1.00 0.00 C ATOM 0 H ILE A 22 -12.605 1.457 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.044 2.308 -2.419 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.473 1.542 -3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.993 -0.292 -2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.476 -0.710 -4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.810 0.948 -5.758 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.789 2.682 -5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.513 1.610 -4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.850 -1.494 -2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.115 -0.257 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.640 0.168 -1.886 1.00 0.00 H new ATOM 333 N GLY A 23 -10.421 4.687 -3.168 1.00 0.00 N ATOM 334 CA GLY A 23 -10.541 6.065 -3.610 1.00 0.00 C ATOM 335 C GLY A 23 -10.504 7.095 -2.480 1.00 0.00 C ATOM 336 O GLY A 23 -10.583 8.287 -2.776 1.00 0.00 O ATOM 0 H GLY A 23 -9.460 4.417 -2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.733 6.281 -4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.476 6.178 -4.158 1.00 0.00 H new ATOM 340 N ASP A 24 -10.401 6.671 -1.218 1.00 0.00 N ATOM 341 CA ASP A 24 -10.168 7.550 -0.062 1.00 0.00 C ATOM 342 C ASP A 24 -8.679 7.911 -0.012 1.00 0.00 C ATOM 343 O ASP A 24 -7.947 7.589 -0.945 1.00 0.00 O ATOM 344 CB ASP A 24 -10.603 6.863 1.243 1.00 0.00 C ATOM 345 CG ASP A 24 -12.101 6.598 1.304 1.00 0.00 C ATOM 346 OD1 ASP A 24 -12.602 5.813 0.476 1.00 0.00 O ATOM 347 OD2 ASP A 24 -12.782 7.046 2.245 1.00 0.00 O ATOM 0 H ASP A 24 -10.478 5.687 -0.963 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.762 8.457 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.068 5.919 1.346 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.315 7.487 2.089 1.00 0.00 H new ATOM 352 N THR A 25 -8.181 8.559 1.042 1.00 0.00 N ATOM 353 CA THR A 25 -6.847 9.129 1.086 1.00 0.00 C ATOM 354 C THR A 25 -6.173 8.844 2.439 1.00 0.00 C ATOM 355 O THR A 25 -6.747 9.110 3.501 1.00 0.00 O ATOM 356 CB THR A 25 -6.970 10.632 0.783 1.00 0.00 C ATOM 357 OG1 THR A 25 -8.271 11.164 1.009 1.00 0.00 O ATOM 358 CG2 THR A 25 -6.620 10.949 -0.671 1.00 0.00 C ATOM 0 H THR A 25 -8.710 8.701 1.903 1.00 0.00 H new ATOM 0 HA THR A 25 -6.202 8.670 0.336 1.00 0.00 H new ATOM 0 HB THR A 25 -6.266 11.093 1.476 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.274 12.121 0.798 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.719 12.021 -0.844 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.594 10.642 -0.873 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.297 10.410 -1.334 1.00 0.00 H new ATOM 366 N VAL A 26 -4.960 8.279 2.409 1.00 0.00 N ATOM 367 CA VAL A 26 -4.223 7.892 3.618 1.00 0.00 C ATOM 368 C VAL A 26 -3.741 9.122 4.401 1.00 0.00 C ATOM 369 O VAL A 26 -3.535 10.185 3.808 1.00 0.00 O ATOM 370 CB VAL A 26 -3.019 6.975 3.286 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.443 5.724 2.515 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.896 7.657 2.492 1.00 0.00 C ATOM 0 H VAL A 26 -4.461 8.077 1.543 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.920 7.333 4.243 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.626 6.710 4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.566 5.112 2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.151 5.150 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.914 6.017 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.096 6.941 2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.290 8.018 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.504 8.497 3.065 1.00 0.00 H new ATOM 382 N PRO A 27 -3.454 8.986 5.707 1.00 0.00 N ATOM 383 CA PRO A 27 -2.670 9.972 6.435 1.00 0.00 C ATOM 384 C PRO A 27 -1.205 9.941 5.996 1.00 0.00 C ATOM 385 O PRO A 27 -0.694 8.918 5.524 1.00 0.00 O ATOM 386 CB PRO A 27 -2.815 9.597 7.911 1.00 0.00 C ATOM 387 CG PRO A 27 -3.085 8.100 7.883 1.00 0.00 C ATOM 388 CD PRO A 27 -3.860 7.901 6.584 1.00 0.00 C ATOM 0 HA PRO A 27 -3.019 10.987 6.244 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.910 9.829 8.473 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.633 10.142 8.383 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.159 7.525 7.890 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.665 7.781 8.749 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.633 6.933 6.138 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.935 7.925 6.763 1.00 0.00 H new ATOM 396 N ALA A 28 -0.484 11.033 6.263 1.00 0.00 N ATOM 397 CA ALA A 28 0.933 11.156 5.941 1.00 0.00 C ATOM 398 C ALA A 28 1.798 10.140 6.697 1.00 0.00 C ATOM 399 O ALA A 28 2.919 9.854 6.276 1.00 0.00 O ATOM 400 CB ALA A 28 1.413 12.586 6.196 1.00 0.00 C ATOM 0 H ALA A 28 -0.874 11.861 6.713 1.00 0.00 H new ATOM 0 HA ALA A 28 1.046 10.930 4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.472 12.663 5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.845 13.277 5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.264 12.838 7.246 1.00 0.00 H new ATOM 406 N MET A 29 1.241 9.529 7.751 1.00 0.00 N ATOM 407 CA MET A 29 1.799 8.394 8.480 1.00 0.00 C ATOM 408 C MET A 29 2.268 7.280 7.540 1.00 0.00 C ATOM 409 O MET A 29 3.198 6.566 7.901 1.00 0.00 O ATOM 410 CB MET A 29 0.758 7.823 9.465 1.00 0.00 C ATOM 411 CG MET A 29 0.211 8.816 10.506 1.00 0.00 C ATOM 412 SD MET A 29 1.023 8.838 12.130 1.00 0.00 S ATOM 413 CE MET A 29 2.723 9.298 11.718 1.00 0.00 C ATOM 0 H MET A 29 0.345 9.832 8.133 1.00 0.00 H new ATOM 0 HA MET A 29 2.666 8.764 9.028 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.080 7.428 8.891 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.207 6.982 9.993 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.273 9.819 10.083 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.846 8.599 10.659 1.00 0.00 H new ATOM 0 HE1 MET A 29 3.247 9.603 12.624 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.234 8.444 11.274 1.00 0.00 H new ATOM 0 HE3 MET A 29 2.714 10.125 11.008 1.00 0.00 H new ATOM 423 N TYR A 30 1.689 7.178 6.337 1.00 0.00 N ATOM 424 CA TYR A 30 2.006 6.153 5.345 1.00 0.00 C ATOM 425 C TYR A 30 2.601 6.725 4.053 1.00 0.00 C ATOM 426 O TYR A 30 3.091 5.962 3.222 1.00 0.00 O ATOM 427 CB TYR A 30 0.716 5.381 5.068 1.00 0.00 C ATOM 428 CG TYR A 30 0.121 4.796 6.332 1.00 0.00 C ATOM 429 CD1 TYR A 30 0.816 3.779 6.998 1.00 0.00 C ATOM 430 CD2 TYR A 30 -1.077 5.290 6.874 1.00 0.00 C ATOM 431 CE1 TYR A 30 0.285 3.185 8.153 1.00 0.00 C ATOM 432 CE2 TYR A 30 -1.606 4.731 8.054 1.00 0.00 C ATOM 433 CZ TYR A 30 -0.940 3.647 8.679 1.00 0.00 C ATOM 434 OH TYR A 30 -1.474 3.025 9.764 1.00 0.00 O ATOM 0 H TYR A 30 0.967 7.826 6.022 1.00 0.00 H new ATOM 0 HA TYR A 30 2.781 5.497 5.742 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.010 6.045 4.599 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.919 4.579 4.358 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.771 3.448 6.618 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.595 6.102 6.384 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.812 2.377 8.638 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.516 5.127 8.481 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.270 3.542 10.571 1.00 0.00 H new ATOM 444 N LEU A 31 2.592 8.050 3.874 1.00 0.00 N ATOM 445 CA LEU A 31 3.235 8.717 2.741 1.00 0.00 C ATOM 446 C LEU A 31 4.722 8.947 3.003 1.00 0.00 C ATOM 447 O LEU A 31 5.487 9.149 2.059 1.00 0.00 O ATOM 448 CB LEU A 31 2.521 10.047 2.449 1.00 0.00 C ATOM 449 CG LEU A 31 1.173 9.785 1.753 1.00 0.00 C ATOM 450 CD1 LEU A 31 0.092 10.809 2.097 1.00 0.00 C ATOM 451 CD2 LEU A 31 1.397 9.770 0.241 1.00 0.00 C ATOM 0 H LEU A 31 2.133 8.694 4.518 1.00 0.00 H new ATOM 0 HA LEU A 31 3.154 8.070 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.359 10.593 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.149 10.674 1.817 1.00 0.00 H new ATOM 0 HG LEU A 31 0.808 8.823 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.828 10.558 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.091 10.798 3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.423 11.803 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.450 9.585 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.797 10.733 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.105 8.981 -0.014 1.00 0.00 H new ATOM 463 N THR A 32 5.159 8.893 4.261 1.00 0.00 N ATOM 464 CA THR A 32 6.572 8.808 4.613 1.00 0.00 C ATOM 465 C THR A 32 7.220 7.623 3.857 1.00 0.00 C ATOM 466 O THR A 32 6.548 6.622 3.596 1.00 0.00 O ATOM 467 CB THR A 32 6.668 8.677 6.150 1.00 0.00 C ATOM 468 OG1 THR A 32 8.009 8.694 6.591 1.00 0.00 O ATOM 469 CG2 THR A 32 5.976 7.420 6.670 1.00 0.00 C ATOM 0 H THR A 32 4.536 8.907 5.069 1.00 0.00 H new ATOM 0 HA THR A 32 7.122 9.701 4.315 1.00 0.00 H new ATOM 0 HB THR A 32 6.149 9.545 6.558 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.054 8.370 7.515 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.072 7.374 7.755 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.920 7.448 6.400 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.441 6.539 6.227 1.00 0.00 H new ATOM 477 N PRO A 33 8.521 7.654 3.527 1.00 0.00 N ATOM 478 CA PRO A 33 9.212 6.519 2.910 1.00 0.00 C ATOM 479 C PRO A 33 9.454 5.342 3.870 1.00 0.00 C ATOM 480 O PRO A 33 9.976 4.303 3.460 1.00 0.00 O ATOM 481 CB PRO A 33 10.510 7.093 2.352 1.00 0.00 C ATOM 482 CG PRO A 33 10.799 8.286 3.261 1.00 0.00 C ATOM 483 CD PRO A 33 9.409 8.801 3.629 1.00 0.00 C ATOM 0 HA PRO A 33 8.595 6.075 2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.317 6.361 2.383 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.398 7.400 1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.364 7.989 4.145 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.386 9.048 2.748 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.400 9.214 4.638 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.096 9.599 2.955 1.00 0.00 H new ATOM 491 N GLU A 34 9.112 5.484 5.152 1.00 0.00 N ATOM 492 CA GLU A 34 9.347 4.478 6.189 1.00 0.00 C ATOM 493 C GLU A 34 8.704 3.116 5.871 1.00 0.00 C ATOM 494 O GLU A 34 9.209 2.105 6.354 1.00 0.00 O ATOM 495 CB GLU A 34 8.858 5.017 7.545 1.00 0.00 C ATOM 496 CG GLU A 34 9.849 6.030 8.141 1.00 0.00 C ATOM 497 CD GLU A 34 9.237 6.840 9.288 1.00 0.00 C ATOM 498 OE1 GLU A 34 8.378 7.702 8.994 1.00 0.00 O ATOM 499 OE2 GLU A 34 9.618 6.651 10.470 1.00 0.00 O ATOM 0 H GLU A 34 8.652 6.323 5.506 1.00 0.00 H new ATOM 0 HA GLU A 34 10.421 4.295 6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.884 5.490 7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.722 4.188 8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.731 5.502 8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.184 6.710 7.358 1.00 0.00 H new ATOM 506 N TYR A 35 7.655 3.054 5.040 1.00 0.00 N ATOM 507 CA TYR A 35 6.858 1.847 4.803 1.00 0.00 C ATOM 508 C TYR A 35 6.836 1.416 3.328 1.00 0.00 C ATOM 509 O TYR A 35 6.111 0.482 2.973 1.00 0.00 O ATOM 510 CB TYR A 35 5.458 2.038 5.392 1.00 0.00 C ATOM 511 CG TYR A 35 5.446 2.347 6.875 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.453 1.305 7.821 1.00 0.00 C ATOM 513 CD2 TYR A 35 5.393 3.685 7.305 1.00 0.00 C ATOM 514 CE1 TYR A 35 5.365 1.602 9.191 1.00 0.00 C ATOM 515 CE2 TYR A 35 5.320 3.988 8.671 1.00 0.00 C ATOM 516 CZ TYR A 35 5.284 2.946 9.620 1.00 0.00 C ATOM 517 OH TYR A 35 5.244 3.235 10.947 1.00 0.00 O ATOM 0 H TYR A 35 7.332 3.859 4.504 1.00 0.00 H new ATOM 0 HA TYR A 35 7.338 1.015 5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.959 2.848 4.859 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.875 1.134 5.216 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.526 0.278 7.494 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.409 4.484 6.578 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.359 0.803 9.917 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.291 5.017 8.996 1.00 0.00 H new ATOM 0 HH TYR A 35 5.190 4.206 11.069 1.00 0.00 H new ATOM 527 N ASN A 36 7.677 2.027 2.489 1.00 0.00 N ATOM 528 CA ASN A 36 7.770 1.863 1.054 1.00 0.00 C ATOM 529 C ASN A 36 8.123 0.424 0.652 1.00 0.00 C ATOM 530 O ASN A 36 9.275 -0.004 0.809 1.00 0.00 O ATOM 531 CB ASN A 36 8.833 2.866 0.565 1.00 0.00 C ATOM 532 CG ASN A 36 8.232 4.137 -0.007 1.00 0.00 C ATOM 533 OD1 ASN A 36 7.225 4.633 0.486 1.00 0.00 O ATOM 534 ND2 ASN A 36 8.843 4.705 -1.031 1.00 0.00 N ATOM 0 H ASN A 36 8.361 2.701 2.833 1.00 0.00 H new ATOM 0 HA ASN A 36 6.804 2.059 0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.490 3.124 1.395 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.452 2.389 -0.195 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.478 5.572 -1.426 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.680 4.277 -1.427 1.00 0.00 H new ATOM 541 N ILE A 37 7.165 -0.343 0.124 1.00 0.00 N ATOM 542 CA ILE A 37 7.392 -1.669 -0.445 1.00 0.00 C ATOM 543 C ILE A 37 8.088 -1.510 -1.800 1.00 0.00 C ATOM 544 O ILE A 37 7.487 -1.643 -2.869 1.00 0.00 O ATOM 545 CB ILE A 37 6.091 -2.512 -0.505 1.00 0.00 C ATOM 546 CG1 ILE A 37 5.427 -2.654 0.884 1.00 0.00 C ATOM 547 CG2 ILE A 37 6.321 -3.924 -1.097 1.00 0.00 C ATOM 548 CD1 ILE A 37 6.298 -3.360 1.931 1.00 0.00 C ATOM 0 H ILE A 37 6.189 -0.050 0.081 1.00 0.00 H new ATOM 0 HA ILE A 37 8.051 -2.241 0.207 1.00 0.00 H new ATOM 0 HB ILE A 37 5.424 -1.961 -1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.168 -1.662 1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.494 -3.206 0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.377 -4.469 -1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.708 -3.834 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.040 -4.464 -0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.757 -3.417 2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.536 -4.367 1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.221 -2.798 2.075 1.00 0.00 H new ATOM 560 N LYS A 38 9.405 -1.284 -1.766 1.00 0.00 N ATOM 561 CA LYS A 38 10.210 -1.406 -2.972 1.00 0.00 C ATOM 562 C LYS A 38 10.195 -2.842 -3.491 1.00 0.00 C ATOM 563 O LYS A 38 10.214 -3.032 -4.703 1.00 0.00 O ATOM 564 CB LYS A 38 11.645 -0.883 -2.783 1.00 0.00 C ATOM 565 CG LYS A 38 11.689 0.654 -2.680 1.00 0.00 C ATOM 566 CD LYS A 38 12.953 1.277 -3.291 1.00 0.00 C ATOM 567 CE LYS A 38 14.198 1.051 -2.436 1.00 0.00 C ATOM 568 NZ LYS A 38 15.375 1.769 -2.969 1.00 0.00 N ATOM 0 H LYS A 38 9.924 -1.020 -0.928 1.00 0.00 H new ATOM 0 HA LYS A 38 9.753 -0.767 -3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.074 -1.319 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.263 -1.208 -3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.813 1.068 -3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.624 0.941 -1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.117 0.855 -4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.798 2.348 -3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.002 1.383 -1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.416 -0.016 -2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.198 1.588 -2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.579 1.435 -3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.178 2.790 -2.991 1.00 0.00 H new ATOM 582 N GLN A 39 10.105 -3.850 -2.619 1.00 0.00 N ATOM 583 CA GLN A 39 10.304 -5.260 -2.949 1.00 0.00 C ATOM 584 C GLN A 39 9.107 -5.910 -3.683 1.00 0.00 C ATOM 585 O GLN A 39 8.794 -7.077 -3.438 1.00 0.00 O ATOM 586 CB GLN A 39 10.680 -5.982 -1.636 1.00 0.00 C ATOM 587 CG GLN A 39 11.503 -7.260 -1.825 1.00 0.00 C ATOM 588 CD GLN A 39 12.876 -6.961 -2.409 1.00 0.00 C ATOM 589 OE1 GLN A 39 13.090 -7.064 -3.616 1.00 0.00 O ATOM 590 NE2 GLN A 39 13.804 -6.526 -1.580 1.00 0.00 N ATOM 0 H GLN A 39 9.885 -3.701 -1.634 1.00 0.00 H new ATOM 0 HA GLN A 39 11.110 -5.353 -3.677 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.243 -5.293 -1.006 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.765 -6.231 -1.098 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.617 -7.765 -0.866 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.968 -7.944 -2.484 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.602 -6.449 -0.583 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.724 -6.266 -1.935 1.00 0.00 H new ATOM 599 N TRP A 40 8.387 -5.174 -4.538 1.00 0.00 N ATOM 600 CA TRP A 40 7.169 -5.666 -5.169 1.00 0.00 C ATOM 601 C TRP A 40 7.400 -6.667 -6.310 1.00 0.00 C ATOM 602 O TRP A 40 6.581 -7.566 -6.470 1.00 0.00 O ATOM 603 CB TRP A 40 6.282 -4.510 -5.628 1.00 0.00 C ATOM 604 CG TRP A 40 6.770 -3.687 -6.776 1.00 0.00 C ATOM 605 CD1 TRP A 40 7.420 -2.504 -6.699 1.00 0.00 C ATOM 606 CD2 TRP A 40 6.626 -3.982 -8.194 1.00 0.00 C ATOM 607 NE1 TRP A 40 7.695 -2.049 -7.976 1.00 0.00 N ATOM 608 CE2 TRP A 40 7.248 -2.936 -8.936 1.00 0.00 C ATOM 609 CE3 TRP A 40 6.035 -5.035 -8.925 1.00 0.00 C ATOM 610 CZ2 TRP A 40 7.292 -2.949 -10.338 1.00 0.00 C ATOM 611 CZ3 TRP A 40 6.096 -5.066 -10.327 1.00 0.00 C ATOM 612 CH2 TRP A 40 6.720 -4.025 -11.032 1.00 0.00 C ATOM 0 H TRP A 40 8.637 -4.223 -4.808 1.00 0.00 H new ATOM 0 HA TRP A 40 6.653 -6.229 -4.392 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.307 -4.918 -5.896 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.127 -3.845 -4.778 1.00 0.00 H new ATOM 0 HD1 TRP A 40 7.683 -1.994 -5.784 1.00 0.00 H new ATOM 0 HE1 TRP A 40 8.168 -1.169 -8.183 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.528 -5.829 -8.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.761 -2.139 -10.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.661 -5.895 -10.866 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.760 -4.053 -12.111 1.00 0.00 H new ATOM 623 N GLN A 41 8.482 -6.566 -7.092 1.00 0.00 N ATOM 624 CA GLN A 41 8.755 -7.549 -8.149 1.00 0.00 C ATOM 625 C GLN A 41 9.029 -8.932 -7.541 1.00 0.00 C ATOM 626 O GLN A 41 8.672 -9.938 -8.140 1.00 0.00 O ATOM 627 CB GLN A 41 9.938 -7.102 -9.028 1.00 0.00 C ATOM 628 CG GLN A 41 9.551 -6.361 -10.321 1.00 0.00 C ATOM 629 CD GLN A 41 9.038 -7.246 -11.470 1.00 0.00 C ATOM 630 OE1 GLN A 41 9.586 -8.434 -11.678 1.00 0.00 O flip ATOM 631 NE2 GLN A 41 8.159 -6.857 -12.239 1.00 0.00 N flip ATOM 0 H GLN A 41 9.176 -5.822 -7.015 1.00 0.00 H new ATOM 0 HA GLN A 41 7.871 -7.617 -8.782 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.585 -6.454 -8.437 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.525 -7.981 -9.294 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.781 -5.627 -10.081 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.421 -5.807 -10.674 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.724 -5.945 -12.097 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.866 -7.446 -13.018 1.00 0.00 H new ATOM 640 N GLN A 42 9.626 -8.999 -6.344 1.00 0.00 N ATOM 641 CA GLN A 42 9.764 -10.237 -5.573 1.00 0.00 C ATOM 642 C GLN A 42 8.513 -10.517 -4.712 1.00 0.00 C ATOM 643 O GLN A 42 8.605 -11.131 -3.640 1.00 0.00 O ATOM 644 CB GLN A 42 11.038 -10.195 -4.730 1.00 0.00 C ATOM 645 CG GLN A 42 12.317 -10.132 -5.572 1.00 0.00 C ATOM 646 CD GLN A 42 13.525 -10.597 -4.770 1.00 0.00 C ATOM 647 OE1 GLN A 42 13.567 -10.531 -3.537 1.00 0.00 O ATOM 648 NE2 GLN A 42 14.520 -11.150 -5.430 1.00 0.00 N ATOM 0 H GLN A 42 10.030 -8.185 -5.881 1.00 0.00 H new ATOM 0 HA GLN A 42 9.849 -11.068 -6.274 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.001 -9.328 -4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.073 -11.078 -4.093 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.203 -10.756 -6.459 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.478 -9.111 -5.919 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.488 -11.206 -6.448 1.00 0.00 H new ATOM 0 HE22 GLN A 42 15.323 -11.523 -4.924 1.00 0.00 H new ATOM 657 N ARG A 43 7.340 -10.035 -5.124 1.00 0.00 N ATOM 658 CA ARG A 43 6.039 -10.331 -4.539 1.00 0.00 C ATOM 659 C ARG A 43 5.097 -10.683 -5.671 1.00 0.00 C ATOM 660 O ARG A 43 5.364 -10.420 -6.844 1.00 0.00 O ATOM 661 CB ARG A 43 5.520 -9.128 -3.725 1.00 0.00 C ATOM 662 CG ARG A 43 6.093 -9.182 -2.312 1.00 0.00 C ATOM 663 CD ARG A 43 6.089 -7.835 -1.583 1.00 0.00 C ATOM 664 NE ARG A 43 7.269 -7.792 -0.711 1.00 0.00 N ATOM 665 CZ ARG A 43 7.321 -7.663 0.612 1.00 0.00 C ATOM 666 NH1 ARG A 43 6.287 -7.196 1.296 1.00 0.00 N ATOM 667 NH2 ARG A 43 8.431 -8.029 1.238 1.00 0.00 N ATOM 0 H ARG A 43 7.272 -9.395 -5.915 1.00 0.00 H new ATOM 0 HA ARG A 43 6.112 -11.169 -3.845 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.809 -8.196 -4.210 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.431 -9.144 -3.688 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.520 -9.901 -1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.117 -9.553 -2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.113 -7.013 -2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.177 -7.721 -0.997 1.00 0.00 H new ATOM 0 HE ARG A 43 8.170 -7.872 -1.183 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.432 -6.928 0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.346 -7.104 2.310 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.218 -8.399 0.706 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.497 -7.941 2.252 1.00 0.00 H new ATOM 681 N ASN A 44 3.969 -11.263 -5.293 1.00 0.00 N ATOM 682 CA ASN A 44 2.902 -11.625 -6.205 1.00 0.00 C ATOM 683 C ASN A 44 2.163 -10.363 -6.650 1.00 0.00 C ATOM 684 O ASN A 44 1.449 -10.417 -7.656 1.00 0.00 O ATOM 685 CB ASN A 44 1.920 -12.588 -5.512 1.00 0.00 C ATOM 686 CG ASN A 44 2.555 -13.886 -5.027 1.00 0.00 C ATOM 687 OD1 ASN A 44 3.627 -13.897 -4.430 1.00 0.00 O ATOM 688 ND2 ASN A 44 1.937 -15.024 -5.242 1.00 0.00 N ATOM 0 H ASN A 44 3.768 -11.499 -4.321 1.00 0.00 H new ATOM 0 HA ASN A 44 3.328 -12.123 -7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.468 -12.078 -4.661 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.114 -12.828 -6.205 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.349 -15.898 -4.914 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.045 -15.034 -5.737 1.00 0.00 H new ATOM 695 N LEU A 45 2.284 -9.261 -5.895 1.00 0.00 N ATOM 696 CA LEU A 45 1.505 -8.040 -6.087 1.00 0.00 C ATOM 697 C LEU A 45 1.744 -7.473 -7.482 1.00 0.00 C ATOM 698 O LEU A 45 2.838 -7.644 -8.031 1.00 0.00 O ATOM 699 CB LEU A 45 1.874 -6.972 -5.049 1.00 0.00 C ATOM 700 CG LEU A 45 1.365 -7.241 -3.623 1.00 0.00 C ATOM 701 CD1 LEU A 45 2.185 -6.415 -2.622 1.00 0.00 C ATOM 702 CD2 LEU A 45 -0.117 -6.871 -3.485 1.00 0.00 C ATOM 0 H LEU A 45 2.942 -9.198 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 45 0.454 -8.302 -5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.959 -6.878 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.480 -6.012 -5.383 1.00 0.00 H new ATOM 0 HG LEU A 45 1.478 -8.305 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.824 -6.606 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.236 -6.697 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.078 -5.355 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.449 -7.072 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.250 -5.812 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.707 -7.465 -4.183 1.00 0.00 H new ATOM 714 N PRO A 46 0.755 -6.762 -8.041 1.00 0.00 N ATOM 715 CA PRO A 46 0.923 -6.097 -9.316 1.00 0.00 C ATOM 716 C PRO A 46 1.913 -4.936 -9.185 1.00 0.00 C ATOM 717 O PRO A 46 2.211 -4.434 -8.091 1.00 0.00 O ATOM 718 CB PRO A 46 -0.479 -5.623 -9.727 1.00 0.00 C ATOM 719 CG PRO A 46 -1.237 -5.525 -8.415 1.00 0.00 C ATOM 720 CD PRO A 46 -0.581 -6.550 -7.504 1.00 0.00 C ATOM 0 HA PRO A 46 1.339 -6.758 -10.076 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.441 -4.661 -10.238 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.954 -6.328 -10.410 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.169 -4.522 -7.994 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.296 -5.741 -8.554 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.536 -6.188 -6.477 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.149 -7.480 -7.490 1.00 0.00 H new ATOM 728 N ALA A 47 2.379 -4.474 -10.341 1.00 0.00 N ATOM 729 CA ALA A 47 3.219 -3.289 -10.461 1.00 0.00 C ATOM 730 C ALA A 47 2.459 -2.070 -9.928 1.00 0.00 C ATOM 731 O ALA A 47 1.226 -2.091 -9.915 1.00 0.00 O ATOM 732 CB ALA A 47 3.588 -3.110 -11.938 1.00 0.00 C ATOM 0 H ALA A 47 2.180 -4.921 -11.236 1.00 0.00 H new ATOM 0 HA ALA A 47 4.132 -3.398 -9.876 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.218 -2.227 -12.051 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.130 -3.989 -12.287 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.680 -2.986 -12.528 1.00 0.00 H new ATOM 738 N PRO A 48 3.126 -0.984 -9.515 1.00 0.00 N ATOM 739 CA PRO A 48 2.433 0.263 -9.217 1.00 0.00 C ATOM 740 C PRO A 48 1.792 0.828 -10.493 1.00 0.00 C ATOM 741 O PRO A 48 2.191 0.491 -11.612 1.00 0.00 O ATOM 742 CB PRO A 48 3.513 1.188 -8.648 1.00 0.00 C ATOM 743 CG PRO A 48 4.788 0.691 -9.332 1.00 0.00 C ATOM 744 CD PRO A 48 4.566 -0.817 -9.413 1.00 0.00 C ATOM 0 HA PRO A 48 1.616 0.139 -8.506 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.312 2.234 -8.880 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.580 1.110 -7.563 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.916 1.134 -10.320 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.679 0.938 -8.754 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.074 -1.244 -10.277 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.960 -1.321 -8.530 1.00 0.00 H new ATOM 752 N ASP A 49 0.837 1.739 -10.326 1.00 0.00 N ATOM 753 CA ASP A 49 0.402 2.631 -11.398 1.00 0.00 C ATOM 754 C ASP A 49 1.533 3.634 -11.651 1.00 0.00 C ATOM 755 O ASP A 49 2.462 3.763 -10.847 1.00 0.00 O ATOM 756 CB ASP A 49 -0.891 3.384 -11.030 1.00 0.00 C ATOM 757 CG ASP A 49 -2.168 2.538 -11.029 1.00 0.00 C ATOM 758 OD1 ASP A 49 -2.128 1.289 -11.102 1.00 0.00 O ATOM 759 OD2 ASP A 49 -3.264 3.138 -10.988 1.00 0.00 O ATOM 0 H ASP A 49 0.343 1.880 -9.445 1.00 0.00 H new ATOM 0 HA ASP A 49 0.185 2.043 -12.290 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.766 3.823 -10.040 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.023 4.209 -11.730 1.00 0.00 H new ATOM 764 N ALA A 50 1.464 4.382 -12.752 1.00 0.00 N ATOM 765 CA ALA A 50 2.504 5.303 -13.204 1.00 0.00 C ATOM 766 C ALA A 50 2.537 6.624 -12.406 1.00 0.00 C ATOM 767 O ALA A 50 2.371 7.705 -12.973 1.00 0.00 O ATOM 768 CB ALA A 50 2.295 5.531 -14.701 1.00 0.00 C ATOM 0 H ALA A 50 0.656 4.362 -13.374 1.00 0.00 H new ATOM 0 HA ALA A 50 3.483 4.860 -13.023 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.056 6.216 -15.074 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.373 4.580 -15.228 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.307 5.960 -14.869 1.00 0.00 H new ATOM 774 N GLY A 51 2.782 6.532 -11.100 1.00 0.00 N ATOM 775 CA GLY A 51 2.859 7.645 -10.157 1.00 0.00 C ATOM 776 C GLY A 51 2.337 7.235 -8.781 1.00 0.00 C ATOM 777 O GLY A 51 1.559 7.968 -8.164 1.00 0.00 O ATOM 0 H GLY A 51 2.940 5.631 -10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.892 7.983 -10.072 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.278 8.487 -10.534 1.00 0.00 H new ATOM 781 N SER A 52 2.678 6.026 -8.325 1.00 0.00 N ATOM 782 CA SER A 52 2.173 5.468 -7.078 1.00 0.00 C ATOM 783 C SER A 52 3.191 4.497 -6.466 1.00 0.00 C ATOM 784 O SER A 52 4.165 4.128 -7.126 1.00 0.00 O ATOM 785 CB SER A 52 0.832 4.794 -7.386 1.00 0.00 C ATOM 786 OG SER A 52 1.003 3.768 -8.337 1.00 0.00 O ATOM 0 H SER A 52 3.319 5.405 -8.820 1.00 0.00 H new ATOM 0 HA SER A 52 2.020 6.249 -6.333 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.406 4.383 -6.471 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.125 5.533 -7.763 1.00 0.00 H new ATOM 0 HG SER A 52 1.444 4.131 -9.134 1.00 0.00 H new ATOM 792 N HIS A 53 2.962 4.065 -5.224 1.00 0.00 N ATOM 793 CA HIS A 53 3.814 3.117 -4.519 1.00 0.00 C ATOM 794 C HIS A 53 2.976 2.245 -3.593 1.00 0.00 C ATOM 795 O HIS A 53 1.889 2.642 -3.172 1.00 0.00 O ATOM 796 CB HIS A 53 4.846 3.887 -3.700 1.00 0.00 C ATOM 797 CG HIS A 53 6.031 3.061 -3.296 1.00 0.00 C ATOM 798 ND1 HIS A 53 7.094 2.763 -4.115 1.00 0.00 N ATOM 799 CD2 HIS A 53 6.262 2.496 -2.071 1.00 0.00 C ATOM 800 CE1 HIS A 53 7.939 2.000 -3.409 1.00 0.00 C ATOM 801 NE2 HIS A 53 7.473 1.797 -2.166 1.00 0.00 N ATOM 0 H HIS A 53 2.161 4.374 -4.673 1.00 0.00 H new ATOM 0 HA HIS A 53 4.317 2.477 -5.244 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.191 4.743 -4.279 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.366 4.281 -2.804 1.00 0.00 H new ATOM 0 HD1 HIS A 53 7.217 3.067 -5.081 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.631 2.574 -1.198 1.00 0.00 H new ATOM 0 HE1 HIS A 53 8.869 1.602 -3.788 1.00 0.00 H new ATOM 809 N TRP A 54 3.494 1.071 -3.251 1.00 0.00 N ATOM 810 CA TRP A 54 2.821 0.126 -2.365 1.00 0.00 C ATOM 811 C TRP A 54 3.381 0.267 -0.954 1.00 0.00 C ATOM 812 O TRP A 54 4.591 0.385 -0.785 1.00 0.00 O ATOM 813 CB TRP A 54 2.981 -1.297 -2.899 1.00 0.00 C ATOM 814 CG TRP A 54 2.156 -1.588 -4.117 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.547 -1.465 -5.409 1.00 0.00 C ATOM 816 CD2 TRP A 54 0.773 -2.046 -4.157 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.529 -1.909 -6.238 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.406 -2.250 -5.517 1.00 0.00 C ATOM 819 CE3 TRP A 54 -0.211 -2.305 -3.181 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -0.869 -2.695 -5.882 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.506 -2.726 -3.538 1.00 0.00 C ATOM 822 CH2 TRP A 54 -1.836 -2.914 -4.891 1.00 0.00 C ATOM 0 H TRP A 54 4.401 0.744 -3.584 1.00 0.00 H new ATOM 0 HA TRP A 54 1.754 0.345 -2.330 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.031 -1.470 -3.134 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.710 -2.002 -2.113 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.501 -1.082 -5.740 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.602 -1.975 -7.253 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.034 -2.178 -2.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.107 -2.869 -6.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.246 -2.905 -2.772 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.832 -3.226 -5.167 1.00 0.00 H new ATOM 833 N THR A 55 2.531 0.254 0.070 1.00 0.00 N ATOM 834 CA THR A 55 2.935 0.551 1.444 1.00 0.00 C ATOM 835 C THR A 55 2.272 -0.435 2.410 1.00 0.00 C ATOM 836 O THR A 55 1.279 -1.071 2.038 1.00 0.00 O ATOM 837 CB THR A 55 2.608 2.021 1.749 1.00 0.00 C ATOM 838 OG1 THR A 55 1.224 2.282 1.594 1.00 0.00 O ATOM 839 CG2 THR A 55 3.363 2.976 0.833 1.00 0.00 C ATOM 0 H THR A 55 1.539 0.037 -0.029 1.00 0.00 H new ATOM 0 HA THR A 55 4.010 0.423 1.572 1.00 0.00 H new ATOM 0 HB THR A 55 2.913 2.187 2.782 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.044 3.224 1.796 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.102 4.004 1.084 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.436 2.832 0.962 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.093 2.776 -0.204 1.00 0.00 H new ATOM 847 N TYR A 56 2.828 -0.603 3.618 1.00 0.00 N ATOM 848 CA TYR A 56 2.454 -1.692 4.523 1.00 0.00 C ATOM 849 C TYR A 56 1.477 -1.234 5.618 1.00 0.00 C ATOM 850 O TYR A 56 1.791 -1.236 6.816 1.00 0.00 O ATOM 851 CB TYR A 56 3.727 -2.338 5.079 1.00 0.00 C ATOM 852 CG TYR A 56 3.498 -3.622 5.853 1.00 0.00 C ATOM 853 CD1 TYR A 56 2.533 -4.556 5.430 1.00 0.00 C ATOM 854 CD2 TYR A 56 4.251 -3.878 7.011 1.00 0.00 C ATOM 855 CE1 TYR A 56 2.305 -5.719 6.175 1.00 0.00 C ATOM 856 CE2 TYR A 56 4.061 -5.065 7.737 1.00 0.00 C ATOM 857 CZ TYR A 56 3.088 -5.997 7.317 1.00 0.00 C ATOM 858 OH TYR A 56 2.880 -7.116 8.061 1.00 0.00 O ATOM 0 H TYR A 56 3.549 0.014 3.992 1.00 0.00 H new ATOM 0 HA TYR A 56 1.903 -2.449 3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.405 -2.545 4.251 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.228 -1.621 5.730 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.967 -4.375 4.528 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.982 -3.156 7.345 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.528 -6.406 5.875 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.658 -5.264 8.615 1.00 0.00 H new ATOM 0 HH TYR A 56 3.516 -7.136 8.806 1.00 0.00 H new ATOM 868 N MET A 57 0.310 -0.769 5.186 1.00 0.00 N ATOM 869 CA MET A 57 -0.663 0.006 5.949 1.00 0.00 C ATOM 870 C MET A 57 -1.371 -0.896 6.949 1.00 0.00 C ATOM 871 O MET A 57 -2.215 -1.705 6.563 1.00 0.00 O ATOM 872 CB MET A 57 -1.666 0.641 4.972 1.00 0.00 C ATOM 873 CG MET A 57 -2.027 2.087 5.290 1.00 0.00 C ATOM 874 SD MET A 57 -3.369 2.300 6.455 1.00 0.00 S ATOM 875 CE MET A 57 -4.037 3.879 5.877 1.00 0.00 C ATOM 0 H MET A 57 -0.003 -0.934 4.229 1.00 0.00 H new ATOM 0 HA MET A 57 -0.161 0.797 6.506 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.251 0.596 3.965 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.578 0.044 4.968 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.142 2.587 5.684 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.291 2.592 4.360 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.280 4.507 6.734 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.295 4.383 5.257 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.939 3.700 5.291 1.00 0.00 H new ATOM 885 N GLY A 58 -0.997 -0.821 8.225 1.00 0.00 N ATOM 886 CA GLY A 58 -1.685 -1.563 9.270 1.00 0.00 C ATOM 887 C GLY A 58 -1.557 -3.087 9.152 1.00 0.00 C ATOM 888 O GLY A 58 -2.329 -3.788 9.810 1.00 0.00 O ATOM 0 H GLY A 58 -0.219 -0.251 8.557 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.294 -1.251 10.238 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.742 -1.297 9.253 1.00 0.00 H new ATOM 892 N GLY A 59 -0.639 -3.618 8.332 1.00 0.00 N ATOM 893 CA GLY A 59 -0.574 -5.038 8.020 1.00 0.00 C ATOM 894 C GLY A 59 -1.062 -5.361 6.610 1.00 0.00 C ATOM 895 O GLY A 59 -1.015 -6.524 6.219 1.00 0.00 O ATOM 0 H GLY A 59 0.080 -3.064 7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.454 -5.382 8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.175 -5.591 8.742 1.00 0.00 H new ATOM 899 N ASN A 60 -1.514 -4.384 5.828 1.00 0.00 N ATOM 900 CA ASN A 60 -2.122 -4.599 4.524 1.00 0.00 C ATOM 901 C ASN A 60 -1.212 -3.974 3.474 1.00 0.00 C ATOM 902 O ASN A 60 -0.389 -3.122 3.808 1.00 0.00 O ATOM 903 CB ASN A 60 -3.517 -3.960 4.527 1.00 0.00 C ATOM 904 CG ASN A 60 -4.308 -4.305 5.792 1.00 0.00 C ATOM 905 OD1 ASN A 60 -4.353 -5.454 6.227 1.00 0.00 O ATOM 906 ND2 ASN A 60 -4.934 -3.327 6.428 1.00 0.00 N ATOM 0 H ASN A 60 -1.465 -3.400 6.092 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.237 -5.659 4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.419 -2.877 4.446 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.071 -4.297 3.651 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.456 -3.526 7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.895 -2.375 6.064 1.00 0.00 H new ATOM 913 N TYR A 61 -1.349 -4.353 2.207 1.00 0.00 N ATOM 914 CA TYR A 61 -0.559 -3.794 1.118 1.00 0.00 C ATOM 915 C TYR A 61 -1.459 -2.851 0.343 1.00 0.00 C ATOM 916 O TYR A 61 -2.441 -3.295 -0.258 1.00 0.00 O ATOM 917 CB TYR A 61 0.019 -4.910 0.241 1.00 0.00 C ATOM 918 CG TYR A 61 1.084 -5.715 0.957 1.00 0.00 C ATOM 919 CD1 TYR A 61 2.314 -5.109 1.268 1.00 0.00 C ATOM 920 CD2 TYR A 61 0.831 -7.036 1.365 1.00 0.00 C ATOM 921 CE1 TYR A 61 3.293 -5.818 1.985 1.00 0.00 C ATOM 922 CE2 TYR A 61 1.811 -7.752 2.075 1.00 0.00 C ATOM 923 CZ TYR A 61 3.042 -7.143 2.403 1.00 0.00 C ATOM 924 OH TYR A 61 4.003 -7.817 3.089 1.00 0.00 O ATOM 0 H TYR A 61 -2.017 -5.063 1.906 1.00 0.00 H new ATOM 0 HA TYR A 61 0.299 -3.240 1.498 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.786 -5.575 -0.073 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.444 -4.474 -0.663 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.507 -4.094 0.954 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.116 -7.501 1.133 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.238 -5.349 2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.621 -8.773 2.371 1.00 0.00 H new ATOM 0 HH TYR A 61 3.614 -8.621 3.492 1.00 0.00 H new ATOM 934 N VAL A 62 -1.164 -1.549 0.367 1.00 0.00 N ATOM 935 CA VAL A 62 -2.075 -0.558 -0.193 1.00 0.00 C ATOM 936 C VAL A 62 -1.291 0.323 -1.162 1.00 0.00 C ATOM 937 O VAL A 62 -0.143 0.696 -0.890 1.00 0.00 O ATOM 938 CB VAL A 62 -2.819 0.196 0.929 1.00 0.00 C ATOM 939 CG1 VAL A 62 -3.338 -0.752 2.025 1.00 0.00 C ATOM 940 CG2 VAL A 62 -1.965 1.283 1.576 1.00 0.00 C ATOM 0 H VAL A 62 -0.308 -1.163 0.765 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.871 -1.027 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.668 0.669 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.854 -0.174 2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.029 -1.472 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.499 -1.283 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.539 1.780 2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.073 0.834 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.672 2.013 0.821 1.00 0.00 H new ATOM 950 N LEU A 63 -1.878 0.577 -2.329 1.00 0.00 N ATOM 951 CA LEU A 63 -1.279 1.351 -3.405 1.00 0.00 C ATOM 952 C LEU A 63 -1.696 2.802 -3.246 1.00 0.00 C ATOM 953 O LEU A 63 -2.878 3.122 -3.391 1.00 0.00 O ATOM 954 CB LEU A 63 -1.729 0.790 -4.754 1.00 0.00 C ATOM 955 CG LEU A 63 -1.133 1.529 -5.965 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.398 1.551 -5.927 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.619 0.865 -7.259 1.00 0.00 C ATOM 0 H LEU A 63 -2.813 0.238 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.192 1.288 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.451 -0.263 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.817 0.836 -4.811 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.473 2.564 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.776 2.082 -6.800 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.732 2.057 -5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.777 0.529 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.197 1.388 -8.117 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.299 -0.177 -7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.707 0.911 -7.305 1.00 0.00 H new ATOM 969 N ILE A 64 -0.753 3.666 -2.898 1.00 0.00 N ATOM 970 CA ILE A 64 -0.975 5.084 -2.663 1.00 0.00 C ATOM 971 C ILE A 64 -0.420 5.866 -3.843 1.00 0.00 C ATOM 972 O ILE A 64 0.621 5.505 -4.393 1.00 0.00 O ATOM 973 CB ILE A 64 -0.331 5.503 -1.325 1.00 0.00 C ATOM 974 CG1 ILE A 64 1.166 5.144 -1.196 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.147 4.864 -0.195 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.891 6.052 -0.201 1.00 0.00 C ATOM 0 H ILE A 64 0.220 3.389 -2.767 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.040 5.299 -2.583 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.354 6.591 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.263 4.106 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.643 5.223 -2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.716 5.142 0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.177 5.216 -0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.128 3.779 -0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.940 5.763 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.818 7.088 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.432 5.953 0.783 1.00 0.00 H new ATOM 988 N THR A 65 -1.097 6.935 -4.249 1.00 0.00 N ATOM 989 CA THR A 65 -0.543 7.876 -5.202 1.00 0.00 C ATOM 990 C THR A 65 0.601 8.620 -4.536 1.00 0.00 C ATOM 991 O THR A 65 0.533 8.937 -3.351 1.00 0.00 O ATOM 992 CB THR A 65 -1.631 8.847 -5.687 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.849 8.670 -4.992 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.899 8.559 -7.150 1.00 0.00 C ATOM 0 H THR A 65 -2.036 7.168 -3.927 1.00 0.00 H new ATOM 0 HA THR A 65 -0.166 7.346 -6.077 1.00 0.00 H new ATOM 0 HB THR A 65 -1.276 9.863 -5.517 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.516 8.281 -5.595 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.669 9.236 -7.519 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.983 8.704 -7.723 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.238 7.529 -7.262 1.00 0.00 H new ATOM 1002 N ASP A 66 1.643 8.918 -5.303 1.00 0.00 N ATOM 1003 CA ASP A 66 2.852 9.549 -4.773 1.00 0.00 C ATOM 1004 C ASP A 66 2.659 11.003 -4.371 1.00 0.00 C ATOM 1005 O ASP A 66 3.508 11.619 -3.733 1.00 0.00 O ATOM 1006 CB ASP A 66 3.919 9.493 -5.860 1.00 0.00 C ATOM 1007 CG ASP A 66 5.298 9.665 -5.245 1.00 0.00 C ATOM 1008 OD1 ASP A 66 5.735 8.742 -4.529 1.00 0.00 O ATOM 1009 OD2 ASP A 66 5.950 10.715 -5.444 1.00 0.00 O ATOM 0 H ASP A 66 1.677 8.731 -6.305 1.00 0.00 H new ATOM 0 HA ASP A 66 3.134 9.006 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.863 8.540 -6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.740 10.276 -6.597 1.00 0.00 H new ATOM 1014 N THR A 67 1.534 11.555 -4.792 1.00 0.00 N ATOM 1015 CA THR A 67 1.296 12.976 -4.915 1.00 0.00 C ATOM 1016 C THR A 67 -0.139 13.290 -4.455 1.00 0.00 C ATOM 1017 O THR A 67 -0.760 14.267 -4.880 1.00 0.00 O ATOM 1018 CB THR A 67 1.690 13.320 -6.362 1.00 0.00 C ATOM 1019 OG1 THR A 67 1.760 14.711 -6.570 1.00 0.00 O ATOM 1020 CG2 THR A 67 0.794 12.661 -7.423 1.00 0.00 C ATOM 0 H THR A 67 0.727 10.996 -5.069 1.00 0.00 H new ATOM 0 HA THR A 67 1.891 13.621 -4.268 1.00 0.00 H new ATOM 0 HB THR A 67 2.686 12.897 -6.491 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.992 15.145 -6.143 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.134 12.951 -8.417 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.848 11.577 -7.323 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.236 12.987 -7.283 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.690 12.413 -3.608 1.00 0.00 N ATOM 1029 CA GLU A 68 -1.985 12.561 -2.965 1.00 0.00 C ATOM 1030 C GLU A 68 -2.097 11.550 -1.823 1.00 0.00 C ATOM 1031 O GLU A 68 -2.581 11.870 -0.739 1.00 0.00 O ATOM 1032 CB GLU A 68 -3.079 12.275 -3.999 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.492 12.462 -3.464 1.00 0.00 C ATOM 1034 CD GLU A 68 -4.873 13.926 -3.262 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -4.580 14.763 -4.148 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -5.560 14.249 -2.266 1.00 0.00 O ATOM 0 H GLU A 68 -0.219 11.547 -3.346 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.095 13.571 -2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.935 12.931 -4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.969 11.252 -4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.198 12.002 -4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.586 11.935 -2.514 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.683 10.307 -2.086 1.00 0.00 N ATOM 1044 CA GLY A 69 -1.958 9.159 -1.244 1.00 0.00 C ATOM 1045 C GLY A 69 -3.397 8.670 -1.343 1.00 0.00 C ATOM 1046 O GLY A 69 -3.900 8.026 -0.419 1.00 0.00 O ATOM 0 H GLY A 69 -1.134 10.075 -2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.286 8.346 -1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.740 9.417 -0.208 1.00 0.00 H new ATOM 1050 N LYS A 70 -4.058 8.946 -2.468 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.328 8.340 -2.818 1.00 0.00 C ATOM 1052 C LYS A 70 -5.143 6.828 -2.872 1.00 0.00 C ATOM 1053 O LYS A 70 -4.162 6.341 -3.445 1.00 0.00 O ATOM 1054 CB LYS A 70 -5.832 8.897 -4.159 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.346 9.169 -4.174 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.094 8.355 -5.230 1.00 0.00 C ATOM 1057 CE LYS A 70 -7.610 8.581 -6.670 1.00 0.00 C ATOM 1058 NZ LYS A 70 -7.710 9.992 -7.096 1.00 0.00 N ATOM 0 H LYS A 70 -3.716 9.606 -3.166 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.082 8.578 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.301 9.822 -4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.589 8.190 -4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.759 8.943 -3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.516 10.230 -4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.997 7.296 -4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.155 8.599 -5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.574 8.254 -6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.197 7.960 -7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.370 10.084 -8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.702 10.301 -7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.129 10.586 -6.470 1.00 0.00 H new ATOM 1072 N ILE A 71 -6.068 6.112 -2.251 1.00 0.00 N ATOM 1073 CA ILE A 71 -6.062 4.682 -2.032 1.00 0.00 C ATOM 1074 C ILE A 71 -6.516 4.046 -3.329 1.00 0.00 C ATOM 1075 O ILE A 71 -7.709 3.850 -3.557 1.00 0.00 O ATOM 1076 CB ILE A 71 -6.922 4.336 -0.791 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.219 4.972 0.434 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.090 2.818 -0.577 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -6.979 4.849 1.746 1.00 0.00 C ATOM 0 H ILE A 71 -6.901 6.552 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.075 4.286 -1.794 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.929 4.728 -0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.240 4.508 0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.048 6.029 0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.702 2.641 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.576 2.379 -1.448 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.111 2.360 -0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.407 5.324 2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -7.948 5.340 1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.127 3.796 1.983 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.551 3.777 -4.206 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.837 3.231 -5.520 1.00 0.00 C ATOM 1093 C LEU A 72 -6.319 1.789 -5.400 1.00 0.00 C ATOM 1094 O LEU A 72 -7.283 1.419 -6.065 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.612 3.300 -6.444 1.00 0.00 C ATOM 1096 CG LEU A 72 -4.018 4.699 -6.702 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -2.970 4.580 -7.813 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -5.071 5.737 -7.116 1.00 0.00 C ATOM 0 H LEU A 72 -4.559 3.931 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.625 3.840 -5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.830 2.671 -6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.885 2.864 -7.405 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.581 5.048 -5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.537 5.560 -8.011 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.184 3.893 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.442 4.202 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.587 6.700 -7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.560 5.413 -8.035 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.814 5.836 -6.325 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.644 0.957 -4.596 1.00 0.00 N ATOM 1111 CA LYS A 73 -5.961 -0.459 -4.417 1.00 0.00 C ATOM 1112 C LYS A 73 -5.520 -0.911 -3.036 1.00 0.00 C ATOM 1113 O LYS A 73 -4.629 -0.290 -2.454 1.00 0.00 O ATOM 1114 CB LYS A 73 -5.237 -1.320 -5.465 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.846 -1.169 -6.862 1.00 0.00 C ATOM 1116 CD LYS A 73 -5.267 -2.190 -7.840 1.00 0.00 C ATOM 1117 CE LYS A 73 -3.841 -1.883 -8.308 1.00 0.00 C ATOM 1118 NZ LYS A 73 -3.818 -0.919 -9.432 1.00 0.00 N ATOM 0 H LYS A 73 -4.844 1.261 -4.041 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.038 -0.581 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.184 -1.040 -5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.279 -2.367 -5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.927 -1.293 -6.804 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.660 -0.161 -7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.278 -3.173 -7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.918 -2.248 -8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.265 -1.481 -7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.354 -2.808 -8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.834 -0.740 -9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.345 -1.312 -10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.259 -0.026 -9.133 1.00 0.00 H new ATOM 1132 N VAL A 74 -6.073 -2.028 -2.574 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.717 -2.717 -1.343 1.00 0.00 C ATOM 1134 C VAL A 74 -5.659 -4.208 -1.683 1.00 0.00 C ATOM 1135 O VAL A 74 -6.489 -4.686 -2.466 1.00 0.00 O ATOM 1136 CB VAL A 74 -6.780 -2.416 -0.261 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.520 -3.176 1.048 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -6.863 -0.913 0.054 1.00 0.00 C ATOM 0 H VAL A 74 -6.823 -2.501 -3.078 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.756 -2.388 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.726 -2.755 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.295 -2.928 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.533 -4.249 0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.546 -2.891 1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.621 -0.743 0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.897 -0.563 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.130 -0.366 -0.850 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.693 -4.920 -1.100 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.619 -6.373 -1.025 1.00 0.00 C ATOM 1150 C TYR A 75 -4.126 -6.709 0.390 1.00 0.00 C ATOM 1151 O TYR A 75 -3.259 -6.000 0.908 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.661 -6.931 -2.084 1.00 0.00 C ATOM 1153 CG TYR A 75 -4.183 -6.844 -3.509 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -5.054 -7.826 -4.009 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -3.814 -5.775 -4.341 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -5.540 -7.752 -5.322 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -4.316 -5.677 -5.656 1.00 0.00 C ATOM 1158 CZ TYR A 75 -5.190 -6.671 -6.155 1.00 0.00 C ATOM 1159 OH TYR A 75 -5.672 -6.626 -7.432 1.00 0.00 O ATOM 0 H TYR A 75 -3.900 -4.470 -0.644 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.592 -6.824 -1.220 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.716 -6.391 -2.022 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.448 -7.974 -1.851 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.353 -8.647 -3.375 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.138 -5.019 -3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.188 -8.530 -5.698 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.033 -4.843 -6.281 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.341 -5.818 -7.878 1.00 0.00 H new ATOM 1169 N ASP A 76 -4.656 -7.748 1.040 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.252 -8.082 2.414 1.00 0.00 C ATOM 1171 C ASP A 76 -2.795 -8.538 2.531 1.00 0.00 C ATOM 1172 O ASP A 76 -2.222 -9.043 1.569 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.209 -9.115 3.030 1.00 0.00 C ATOM 1174 CG ASP A 76 -5.086 -9.099 4.554 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -5.803 -8.289 5.183 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -4.171 -9.742 5.111 1.00 0.00 O ATOM 0 H ASP A 76 -5.361 -8.370 0.644 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.320 -7.155 2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.235 -8.892 2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.978 -10.110 2.649 1.00 0.00 H new ATOM 1181 N GLY A 77 -2.195 -8.389 3.718 1.00 0.00 N ATOM 1182 CA GLY A 77 -0.880 -8.911 4.078 1.00 0.00 C ATOM 1183 C GLY A 77 -0.732 -10.398 3.776 1.00 0.00 C ATOM 1184 O GLY A 77 0.356 -10.841 3.401 1.00 0.00 O ATOM 0 H GLY A 77 -2.635 -7.879 4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.113 -8.357 3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.705 -8.741 5.140 1.00 0.00 H new ATOM 1188 N GLU A 78 -1.835 -11.143 3.861 1.00 0.00 N ATOM 1189 CA GLU A 78 -1.958 -12.552 3.511 1.00 0.00 C ATOM 1190 C GLU A 78 -1.339 -12.875 2.146 1.00 0.00 C ATOM 1191 O GLU A 78 -0.769 -13.955 1.967 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.450 -12.910 3.499 1.00 0.00 C ATOM 1193 CG GLU A 78 -4.064 -12.919 4.907 1.00 0.00 C ATOM 1194 CD GLU A 78 -4.025 -14.306 5.538 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -2.969 -14.976 5.444 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -5.047 -14.714 6.134 1.00 0.00 O ATOM 0 H GLU A 78 -2.716 -10.753 4.196 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.414 -13.140 4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.987 -12.194 2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.581 -13.891 3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.525 -12.216 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.096 -12.573 4.855 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.409 -11.939 1.196 1.00 0.00 N ATOM 1204 CA ILE A 79 -0.958 -12.120 -0.174 1.00 0.00 C ATOM 1205 C ILE A 79 0.573 -12.224 -0.268 1.00 0.00 C ATOM 1206 O ILE A 79 1.106 -12.571 -1.323 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.529 -10.953 -1.006 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.668 -11.363 -2.475 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.679 -9.669 -0.910 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -2.537 -10.368 -3.250 1.00 0.00 C ATOM 0 H ILE A 79 -1.793 -11.010 1.370 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.325 -13.066 -0.572 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.508 -10.727 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.681 -11.421 -2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.108 -12.358 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.133 -8.886 -1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.631 -9.341 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.328 -9.872 -1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.616 -10.687 -4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.531 -10.330 -2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.082 -9.378 -3.208 1.00 0.00 H new ATOM 1222 N PHE A 80 1.312 -11.902 0.801 1.00 0.00 N ATOM 1223 CA PHE A 80 2.761 -12.061 0.825 1.00 0.00 C ATOM 1224 C PHE A 80 3.156 -13.539 0.780 1.00 0.00 C ATOM 1225 O PHE A 80 4.182 -13.893 0.189 1.00 0.00 O ATOM 1226 CB PHE A 80 3.337 -11.384 2.076 1.00 0.00 C ATOM 1227 CG PHE A 80 4.848 -11.464 2.129 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.615 -10.813 1.149 1.00 0.00 C ATOM 1229 CD2 PHE A 80 5.485 -12.289 3.072 1.00 0.00 C ATOM 1230 CE1 PHE A 80 7.000 -11.032 1.085 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.875 -12.478 3.035 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.630 -11.861 2.025 1.00 0.00 C ATOM 0 H PHE A 80 0.920 -11.527 1.665 1.00 0.00 H new ATOM 0 HA PHE A 80 3.176 -11.582 -0.062 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.030 -10.338 2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.919 -11.855 2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.140 -10.145 0.446 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.899 -12.783 3.833 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.583 -10.560 0.308 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.360 -13.094 3.778 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.696 -12.025 1.972 1.00 0.00 H new ATOM 1242 N TYR A 81 2.356 -14.395 1.414 1.00 0.00 N ATOM 1243 CA TYR A 81 2.684 -15.798 1.630 1.00 0.00 C ATOM 1244 C TYR A 81 2.158 -16.676 0.488 1.00 0.00 C ATOM 1245 O TYR A 81 2.648 -17.792 0.308 1.00 0.00 O ATOM 1246 CB TYR A 81 2.143 -16.236 3.002 1.00 0.00 C ATOM 1247 CG TYR A 81 2.537 -15.278 4.118 1.00 0.00 C ATOM 1248 CD1 TYR A 81 3.774 -15.418 4.777 1.00 0.00 C ATOM 1249 CD2 TYR A 81 1.717 -14.171 4.410 1.00 0.00 C ATOM 1250 CE1 TYR A 81 4.214 -14.424 5.671 1.00 0.00 C ATOM 1251 CE2 TYR A 81 2.165 -13.158 5.270 1.00 0.00 C ATOM 1252 CZ TYR A 81 3.429 -13.266 5.885 1.00 0.00 C ATOM 1253 OH TYR A 81 3.925 -12.203 6.577 1.00 0.00 O ATOM 0 H TYR A 81 1.449 -14.127 1.796 1.00 0.00 H new ATOM 0 HA TYR A 81 3.767 -15.923 1.631 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.056 -16.306 2.955 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.517 -17.233 3.235 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.386 -16.289 4.596 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.734 -14.102 3.968 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.151 -14.545 6.194 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.543 -12.296 5.461 1.00 0.00 H new ATOM 0 HH TYR A 81 3.246 -11.498 6.624 1.00 0.00 H new ATOM 1263 N HIS A 82 1.213 -16.142 -0.293 1.00 0.00 N ATOM 1264 CA HIS A 82 0.574 -16.726 -1.460 1.00 0.00 C ATOM 1265 C HIS A 82 1.642 -17.023 -2.510 1.00 0.00 C ATOM 1266 O HIS A 82 2.542 -16.204 -2.708 1.00 0.00 O ATOM 1267 CB HIS A 82 -0.427 -15.676 -1.979 1.00 0.00 C ATOM 1268 CG HIS A 82 -1.305 -16.102 -3.123 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -2.366 -16.972 -3.043 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -1.333 -15.526 -4.364 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -3.021 -16.920 -4.213 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -2.426 -16.057 -5.056 1.00 0.00 N ATOM 0 H HIS A 82 0.849 -15.208 -0.101 1.00 0.00 H new ATOM 0 HA HIS A 82 0.060 -17.659 -1.228 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.067 -15.374 -1.150 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.132 -14.793 -2.287 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.636 -14.793 -4.741 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.906 -17.493 -4.446 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.714 -15.835 -6.009 1.00 0.00 H new ATOM 1280 N ARG A 83 1.540 -18.138 -3.234 1.00 0.00 N ATOM 1281 CA ARG A 83 2.353 -18.446 -4.409 1.00 0.00 C ATOM 1282 C ARG A 83 1.506 -19.307 -5.343 1.00 0.00 C ATOM 1283 O ARG A 83 2.074 -19.981 -6.230 1.00 0.00 O ATOM 1284 CB ARG A 83 3.665 -19.165 -4.033 1.00 0.00 C ATOM 1285 CG ARG A 83 4.619 -18.413 -3.091 1.00 0.00 C ATOM 1286 CD ARG A 83 6.059 -18.930 -3.245 1.00 0.00 C ATOM 1287 NE ARG A 83 6.847 -18.949 -2.003 1.00 0.00 N ATOM 1288 CZ ARG A 83 7.160 -17.945 -1.182 1.00 0.00 C ATOM 1289 NH1 ARG A 83 6.689 -16.717 -1.377 1.00 0.00 N ATOM 1290 NH2 ARG A 83 7.965 -18.185 -0.154 1.00 0.00 N ATOM 0 H ARG A 83 0.869 -18.873 -3.012 1.00 0.00 H new ATOM 0 HA ARG A 83 2.648 -17.520 -4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.410 -20.118 -3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.204 -19.392 -4.953 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.586 -17.346 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.291 -18.538 -2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.025 -19.941 -3.652 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.576 -18.309 -3.977 1.00 0.00 H new ATOM 0 HE ARG A 83 7.207 -19.863 -1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.074 -16.526 -2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.943 -15.966 -0.735 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.333 -19.124 -0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.216 -17.430 0.485 1.00 0.00 H new TER 1304 ARG A 83