USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 580 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 5 GLN : amide:sc= -1.01 K(o=-0.11,f=-1.5!) USER MOD Set 1.2: A 35 THR OG1 : rot 156:sc= 0.905 USER MOD Set 2.1: A 11 GLN : amide:sc= 0.2 K(o=0.5,f=-0.12) USER MOD Set 2.2: A 45 THR OG1 : rot 79:sc= 0.302 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= 0.0641 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -178:sc= 0 (180deg=-0.0115) USER MOD Single : A 13 SER OG : rot 180:sc= -0.36 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 1.26 (180deg=1.1) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.02) USER MOD Single : A 40 ASN : amide:sc= -0.155 K(o=-0.16,f=-1.8) USER MOD Single : A 43 THR OG1 : rot -48:sc= 0.769 USER MOD Single : A 47 ASN : amide:sc= 0.644 K(o=0.64,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00671 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0606 USER MOD Single : A 61 GLN : amide:sc=-0.00681 X(o=-0.0068,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= -0.317 (180deg=-0.407) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.679 19.741 15.020 1.00 5.92 N ATOM 2 CA MET A 1 -3.833 18.488 15.777 1.00 5.16 C ATOM 3 C MET A 1 -2.462 17.819 15.821 1.00 3.25 C ATOM 4 O MET A 1 -1.487 18.528 16.050 1.00 2.85 O ATOM 5 CB MET A 1 -4.945 17.592 15.203 1.00 6.68 C ATOM 6 CG MET A 1 -6.359 18.100 15.492 1.00 8.49 C ATOM 7 SD MET A 1 -7.624 16.902 14.999 1.00 10.56 S ATOM 8 CE MET A 1 -9.045 17.526 15.918 1.00 12.16 C ATOM 0 H1 MET A 1 -4.330 20.458 15.400 1.00 5.92 H new ATOM 0 H2 MET A 1 -2.700 20.081 15.107 1.00 5.92 H new ATOM 0 H3 MET A 1 -3.898 19.570 14.018 1.00 5.92 H new ATOM 0 HA MET A 1 -4.166 18.689 16.795 1.00 5.16 H new ATOM 0 HB2 MET A 1 -4.812 17.510 14.124 1.00 6.68 H new ATOM 0 HB3 MET A 1 -4.839 16.588 15.614 1.00 6.68 H new ATOM 0 HG2 MET A 1 -6.457 18.313 16.556 1.00 8.49 H new ATOM 0 HG3 MET A 1 -6.522 19.039 14.962 1.00 8.49 H new ATOM 0 HE1 MET A 1 -9.911 16.894 15.721 1.00 12.16 H new ATOM 0 HE2 MET A 1 -8.822 17.514 16.985 1.00 12.16 H new ATOM 0 HE3 MET A 1 -9.262 18.547 15.604 1.00 12.16 H new ATOM 20 N LEU A 2 -2.385 16.514 15.569 1.00 3.03 N ATOM 21 CA LEU A 2 -1.203 15.687 15.661 1.00 2.33 C ATOM 22 C LEU A 2 -1.362 14.676 14.536 1.00 2.05 C ATOM 23 O LEU A 2 -2.313 13.904 14.565 1.00 3.16 O ATOM 24 CB LEU A 2 -1.194 15.025 17.051 1.00 4.35 C ATOM 25 CG LEU A 2 -0.276 13.793 17.180 1.00 5.84 C ATOM 26 CD1 LEU A 2 0.640 13.936 18.399 1.00 6.90 C ATOM 27 CD2 LEU A 2 -1.112 12.514 17.344 1.00 7.68 C ATOM 0 H LEU A 2 -3.204 15.980 15.277 1.00 3.03 H new ATOM 0 HA LEU A 2 -0.260 16.225 15.559 1.00 2.33 H new ATOM 0 HB2 LEU A 2 -0.887 15.767 17.788 1.00 4.35 H new ATOM 0 HB3 LEU A 2 -2.212 14.728 17.302 1.00 4.35 H new ATOM 0 HG LEU A 2 0.324 13.726 16.272 1.00 5.84 H new ATOM 0 HD11 LEU A 2 1.282 13.059 18.477 1.00 6.90 H new ATOM 0 HD12 LEU A 2 1.257 14.828 18.288 1.00 6.90 H new ATOM 0 HD13 LEU A 2 0.034 14.023 19.301 1.00 6.90 H new ATOM 0 HD21 LEU A 2 -0.448 11.654 17.434 1.00 7.68 H new ATOM 0 HD22 LEU A 2 -1.726 12.593 18.241 1.00 7.68 H new ATOM 0 HD23 LEU A 2 -1.756 12.386 16.474 1.00 7.68 H new ATOM 39 N SER A 3 -0.481 14.731 13.536 1.00 1.03 N ATOM 40 CA SER A 3 -0.380 13.701 12.515 1.00 0.81 C ATOM 41 C SER A 3 1.085 13.651 12.099 1.00 0.74 C ATOM 42 O SER A 3 1.554 14.584 11.447 1.00 0.88 O ATOM 43 CB SER A 3 -1.301 13.977 11.305 1.00 0.79 C ATOM 44 OG SER A 3 -2.328 14.909 11.602 1.00 0.83 O ATOM 0 H SER A 3 0.183 15.496 13.416 1.00 1.03 H new ATOM 0 HA SER A 3 -0.712 12.742 12.912 1.00 0.81 H new ATOM 0 HB2 SER A 3 -0.702 14.354 10.476 1.00 0.79 H new ATOM 0 HB3 SER A 3 -1.750 13.041 10.974 1.00 0.79 H new ATOM 0 HG SER A 3 -2.881 15.051 10.806 1.00 0.83 H new ATOM 50 N GLU A 4 1.830 12.629 12.525 1.00 0.68 N ATOM 51 CA GLU A 4 3.189 12.437 12.056 1.00 0.56 C ATOM 52 C GLU A 4 3.140 11.777 10.679 1.00 0.54 C ATOM 53 O GLU A 4 2.072 11.600 10.101 1.00 0.75 O ATOM 54 CB GLU A 4 3.980 11.624 13.083 1.00 0.56 C ATOM 55 CG GLU A 4 4.749 12.492 14.067 1.00 0.68 C ATOM 56 CD GLU A 4 5.872 11.718 14.749 1.00 1.04 C ATOM 57 OE1 GLU A 4 6.870 11.443 14.047 1.00 2.32 O ATOM 58 OE2 GLU A 4 5.708 11.404 15.946 1.00 1.63 O ATOM 0 H GLU A 4 1.509 11.927 13.192 1.00 0.68 H new ATOM 0 HA GLU A 4 3.707 13.390 11.949 1.00 0.56 H new ATOM 0 HB2 GLU A 4 3.294 10.981 13.634 1.00 0.56 H new ATOM 0 HB3 GLU A 4 4.679 10.971 12.560 1.00 0.56 H new ATOM 0 HG2 GLU A 4 5.166 13.352 13.544 1.00 0.68 H new ATOM 0 HG3 GLU A 4 4.065 12.880 14.822 1.00 0.68 H new ATOM 65 N GLN A 5 4.303 11.435 10.125 1.00 0.45 N ATOM 66 CA GLN A 5 4.416 10.632 8.928 1.00 0.47 C ATOM 67 C GLN A 5 5.520 9.612 9.150 1.00 0.52 C ATOM 68 O GLN A 5 6.528 9.936 9.773 1.00 0.60 O ATOM 69 CB GLN A 5 4.809 11.536 7.761 1.00 0.52 C ATOM 70 CG GLN A 5 3.741 12.589 7.439 1.00 0.54 C ATOM 71 CD GLN A 5 2.576 12.056 6.606 1.00 0.59 C ATOM 72 OE1 GLN A 5 1.711 12.827 6.200 1.00 1.26 O ATOM 73 NE2 GLN A 5 2.557 10.758 6.303 1.00 0.45 N ATOM 0 H GLN A 5 5.204 11.718 10.510 1.00 0.45 H new ATOM 0 HA GLN A 5 3.471 10.135 8.709 1.00 0.47 H new ATOM 0 HB2 GLN A 5 5.748 12.037 7.996 1.00 0.52 H new ATOM 0 HB3 GLN A 5 4.987 10.924 6.877 1.00 0.52 H new ATOM 0 HG2 GLN A 5 3.351 12.994 8.373 1.00 0.54 H new ATOM 0 HG3 GLN A 5 4.209 13.415 6.904 1.00 0.54 H new ATOM 0 HE21 GLN A 5 3.289 10.141 6.655 1.00 0.45 H new ATOM 0 HE22 GLN A 5 1.810 10.381 5.719 1.00 0.45 H new ATOM 82 N LYS A 6 5.349 8.413 8.599 1.00 0.53 N ATOM 83 CA LYS A 6 6.420 7.459 8.409 1.00 0.64 C ATOM 84 C LYS A 6 6.231 6.690 7.111 1.00 0.59 C ATOM 85 O LYS A 6 5.140 6.669 6.536 1.00 0.53 O ATOM 86 CB LYS A 6 6.587 6.524 9.616 1.00 0.77 C ATOM 87 CG LYS A 6 7.351 7.236 10.741 1.00 1.32 C ATOM 88 CD LYS A 6 8.118 6.234 11.610 1.00 1.15 C ATOM 89 CE LYS A 6 9.142 6.991 12.467 1.00 2.09 C ATOM 90 NZ LYS A 6 10.028 6.069 13.204 1.00 2.82 N ATOM 0 H LYS A 6 4.444 8.079 8.269 1.00 0.53 H new ATOM 0 HA LYS A 6 7.351 8.020 8.331 1.00 0.64 H new ATOM 0 HB2 LYS A 6 5.609 6.206 9.976 1.00 0.77 H new ATOM 0 HB3 LYS A 6 7.124 5.624 9.316 1.00 0.77 H new ATOM 0 HG2 LYS A 6 8.047 7.957 10.312 1.00 1.32 H new ATOM 0 HG3 LYS A 6 6.652 7.798 11.360 1.00 1.32 H new ATOM 0 HD2 LYS A 6 7.427 5.684 12.249 1.00 1.15 H new ATOM 0 HD3 LYS A 6 8.623 5.501 10.981 1.00 1.15 H new ATOM 0 HE2 LYS A 6 9.742 7.639 11.828 1.00 2.09 H new ATOM 0 HE3 LYS A 6 8.619 7.635 13.174 1.00 2.09 H new ATOM 0 HZ1 LYS A 6 10.705 6.618 13.771 1.00 2.82 H new ATOM 0 HZ2 LYS A 6 9.458 5.467 13.832 1.00 2.82 H new ATOM 0 HZ3 LYS A 6 10.546 5.471 12.529 1.00 2.82 H new ATOM 104 N GLU A 7 7.338 6.083 6.687 1.00 0.64 N ATOM 105 CA GLU A 7 7.576 5.383 5.452 1.00 0.62 C ATOM 106 C GLU A 7 7.712 3.924 5.835 1.00 0.62 C ATOM 107 O GLU A 7 8.794 3.417 6.130 1.00 0.85 O ATOM 108 CB GLU A 7 8.857 5.891 4.769 1.00 0.66 C ATOM 109 CG GLU A 7 9.342 7.287 5.203 1.00 0.65 C ATOM 110 CD GLU A 7 10.210 7.253 6.467 1.00 0.78 C ATOM 111 OE1 GLU A 7 9.666 6.911 7.544 1.00 0.82 O ATOM 112 OE2 GLU A 7 11.413 7.561 6.333 1.00 1.69 O ATOM 0 H GLU A 7 8.173 6.076 7.273 1.00 0.64 H new ATOM 0 HA GLU A 7 6.766 5.540 4.739 1.00 0.62 H new ATOM 0 HB2 GLU A 7 9.656 5.174 4.960 1.00 0.66 H new ATOM 0 HB3 GLU A 7 8.691 5.904 3.692 1.00 0.66 H new ATOM 0 HG2 GLU A 7 9.911 7.737 4.390 1.00 0.65 H new ATOM 0 HG3 GLU A 7 8.478 7.927 5.379 1.00 0.65 H new ATOM 119 N ILE A 8 6.585 3.239 5.881 1.00 0.53 N ATOM 120 CA ILE A 8 6.579 1.854 6.235 1.00 0.54 C ATOM 121 C ILE A 8 6.899 1.095 4.948 1.00 0.43 C ATOM 122 O ILE A 8 6.825 1.657 3.852 1.00 0.39 O ATOM 123 CB ILE A 8 5.239 1.533 6.884 1.00 0.72 C ATOM 124 CG1 ILE A 8 4.989 2.275 8.212 1.00 1.53 C ATOM 125 CG2 ILE A 8 5.171 0.081 7.263 1.00 0.77 C ATOM 126 CD1 ILE A 8 4.658 3.740 8.019 1.00 2.46 C ATOM 0 H ILE A 8 5.666 3.631 5.675 1.00 0.53 H new ATOM 0 HA ILE A 8 7.323 1.562 6.976 1.00 0.54 H new ATOM 0 HB ILE A 8 4.506 1.832 6.135 1.00 0.72 H new ATOM 0 HG12 ILE A 8 4.170 1.790 8.744 1.00 1.53 H new ATOM 0 HG13 ILE A 8 5.874 2.188 8.842 1.00 1.53 H new ATOM 0 HG21 ILE A 8 4.207 -0.130 7.725 1.00 0.77 H new ATOM 0 HG22 ILE A 8 5.288 -0.534 6.371 1.00 0.77 H new ATOM 0 HG23 ILE A 8 5.969 -0.149 7.969 1.00 0.77 H new ATOM 0 HD11 ILE A 8 4.493 4.207 8.990 1.00 2.46 H new ATOM 0 HD12 ILE A 8 5.486 4.237 7.514 1.00 2.46 H new ATOM 0 HD13 ILE A 8 3.756 3.833 7.414 1.00 2.46 H new ATOM 138 N ALA A 9 7.309 -0.161 5.091 1.00 0.44 N ATOM 139 CA ALA A 9 7.659 -1.057 4.005 1.00 0.43 C ATOM 140 C ALA A 9 6.981 -2.392 4.281 1.00 0.55 C ATOM 141 O ALA A 9 6.916 -2.802 5.441 1.00 0.77 O ATOM 142 CB ALA A 9 9.178 -1.236 3.941 1.00 0.39 C ATOM 0 H ALA A 9 7.409 -0.597 6.008 1.00 0.44 H new ATOM 0 HA ALA A 9 7.330 -0.652 3.048 1.00 0.43 H new ATOM 0 HB1 ALA A 9 9.431 -1.910 3.123 1.00 0.39 H new ATOM 0 HB2 ALA A 9 9.652 -0.269 3.774 1.00 0.39 H new ATOM 0 HB3 ALA A 9 9.535 -1.657 4.881 1.00 0.39 H new ATOM 148 N MET A 10 6.487 -3.062 3.241 1.00 0.41 N ATOM 149 CA MET A 10 5.967 -4.416 3.340 1.00 0.44 C ATOM 150 C MET A 10 6.053 -5.088 1.967 1.00 0.40 C ATOM 151 O MET A 10 6.471 -4.459 0.990 1.00 0.38 O ATOM 152 CB MET A 10 4.562 -4.436 3.969 1.00 0.64 C ATOM 153 CG MET A 10 3.595 -3.386 3.417 1.00 1.22 C ATOM 154 SD MET A 10 3.410 -1.886 4.413 1.00 1.68 S ATOM 155 CE MET A 10 2.261 -0.988 3.355 1.00 2.45 C ATOM 0 H MET A 10 6.438 -2.673 2.299 1.00 0.41 H new ATOM 0 HA MET A 10 6.579 -5.005 4.023 1.00 0.44 H new ATOM 0 HB2 MET A 10 4.127 -5.424 3.820 1.00 0.64 H new ATOM 0 HB3 MET A 10 4.659 -4.290 5.045 1.00 0.64 H new ATOM 0 HG2 MET A 10 3.930 -3.099 2.420 1.00 1.22 H new ATOM 0 HG3 MET A 10 2.614 -3.847 3.303 1.00 1.22 H new ATOM 0 HE1 MET A 10 2.053 -0.011 3.791 1.00 2.45 H new ATOM 0 HE2 MET A 10 2.702 -0.858 2.367 1.00 2.45 H new ATOM 0 HE3 MET A 10 1.332 -1.551 3.267 1.00 2.45 H new ATOM 165 N GLN A 11 5.694 -6.373 1.922 1.00 0.42 N ATOM 166 CA GLN A 11 5.747 -7.223 0.744 1.00 0.42 C ATOM 167 C GLN A 11 4.351 -7.284 0.131 1.00 0.42 C ATOM 168 O GLN A 11 3.376 -7.133 0.854 1.00 0.47 O ATOM 169 CB GLN A 11 6.200 -8.617 1.205 1.00 0.52 C ATOM 170 CG GLN A 11 7.689 -8.661 1.559 1.00 1.06 C ATOM 171 CD GLN A 11 8.534 -8.273 0.363 1.00 1.58 C ATOM 172 OE1 GLN A 11 9.336 -7.347 0.429 1.00 2.77 O ATOM 173 NE2 GLN A 11 8.277 -8.922 -0.766 1.00 1.19 N ATOM 0 H GLN A 11 5.344 -6.865 2.744 1.00 0.42 H new ATOM 0 HA GLN A 11 6.441 -6.840 -0.005 1.00 0.42 H new ATOM 0 HB2 GLN A 11 5.614 -8.917 2.074 1.00 0.52 H new ATOM 0 HB3 GLN A 11 5.995 -9.341 0.417 1.00 0.52 H new ATOM 0 HG2 GLN A 11 7.891 -7.984 2.389 1.00 1.06 H new ATOM 0 HG3 GLN A 11 7.959 -9.663 1.892 1.00 1.06 H new ATOM 0 HE21 GLN A 11 7.602 -9.686 -0.772 1.00 1.19 H new ATOM 0 HE22 GLN A 11 8.755 -8.656 -1.627 1.00 1.19 H new ATOM 182 N VAL A 12 4.225 -7.502 -1.181 1.00 0.49 N ATOM 183 CA VAL A 12 2.931 -7.550 -1.863 1.00 0.56 C ATOM 184 C VAL A 12 2.633 -8.980 -2.340 1.00 0.57 C ATOM 185 O VAL A 12 3.559 -9.764 -2.539 1.00 0.62 O ATOM 186 CB VAL A 12 2.907 -6.500 -2.986 1.00 0.73 C ATOM 187 CG1 VAL A 12 3.975 -6.779 -4.041 1.00 2.09 C ATOM 188 CG2 VAL A 12 1.532 -6.386 -3.653 1.00 2.58 C ATOM 0 H VAL A 12 5.021 -7.651 -1.801 1.00 0.49 H new ATOM 0 HA VAL A 12 2.125 -7.293 -1.176 1.00 0.56 H new ATOM 0 HB VAL A 12 3.127 -5.545 -2.508 1.00 0.73 H new ATOM 0 HG11 VAL A 12 3.927 -6.016 -4.818 1.00 2.09 H new ATOM 0 HG12 VAL A 12 4.960 -6.761 -3.575 1.00 2.09 H new ATOM 0 HG13 VAL A 12 3.801 -7.760 -4.484 1.00 2.09 H new ATOM 0 HG21 VAL A 12 1.570 -5.631 -4.438 1.00 2.58 H new ATOM 0 HG22 VAL A 12 1.257 -7.347 -4.087 1.00 2.58 H new ATOM 0 HG23 VAL A 12 0.789 -6.098 -2.909 1.00 2.58 H new ATOM 198 N SER A 13 1.352 -9.317 -2.536 1.00 0.59 N ATOM 199 CA SER A 13 0.911 -10.566 -3.147 1.00 0.64 C ATOM 200 C SER A 13 -0.153 -10.277 -4.205 1.00 0.53 C ATOM 201 O SER A 13 -0.672 -9.169 -4.293 1.00 0.60 O ATOM 202 CB SER A 13 0.352 -11.511 -2.076 1.00 0.91 C ATOM 203 OG SER A 13 1.398 -12.149 -1.379 1.00 1.22 O ATOM 0 H SER A 13 0.578 -8.710 -2.265 1.00 0.59 H new ATOM 0 HA SER A 13 1.764 -11.049 -3.625 1.00 0.64 H new ATOM 0 HB2 SER A 13 -0.268 -10.950 -1.377 1.00 0.91 H new ATOM 0 HB3 SER A 13 -0.290 -12.258 -2.543 1.00 0.91 H new ATOM 0 HG SER A 13 1.022 -12.746 -0.699 1.00 1.22 H new ATOM 209 N GLY A 14 -0.477 -11.299 -5.002 1.00 0.58 N ATOM 210 CA GLY A 14 -1.466 -11.198 -6.066 1.00 0.69 C ATOM 211 C GLY A 14 -1.075 -10.114 -7.069 1.00 0.87 C ATOM 212 O GLY A 14 -1.873 -9.232 -7.369 1.00 1.58 O ATOM 0 H GLY A 14 -0.055 -12.224 -4.922 1.00 0.58 H new ATOM 0 HA2 GLY A 14 -1.557 -12.157 -6.577 1.00 0.69 H new ATOM 0 HA3 GLY A 14 -2.443 -10.970 -5.640 1.00 0.69 H new ATOM 216 N MET A 15 0.159 -10.190 -7.580 1.00 0.95 N ATOM 217 CA MET A 15 0.730 -9.215 -8.499 1.00 1.13 C ATOM 218 C MET A 15 1.358 -9.929 -9.686 1.00 1.43 C ATOM 219 O MET A 15 1.636 -11.122 -9.606 1.00 1.40 O ATOM 220 CB MET A 15 1.765 -8.351 -7.763 1.00 1.12 C ATOM 221 CG MET A 15 3.033 -9.107 -7.329 1.00 1.22 C ATOM 222 SD MET A 15 4.357 -9.219 -8.565 1.00 1.70 S ATOM 223 CE MET A 15 5.602 -10.135 -7.626 1.00 2.33 C ATOM 0 H MET A 15 0.799 -10.952 -7.357 1.00 0.95 H new ATOM 0 HA MET A 15 -0.058 -8.561 -8.873 1.00 1.13 H new ATOM 0 HB2 MET A 15 2.054 -7.523 -8.410 1.00 1.12 H new ATOM 0 HB3 MET A 15 1.296 -7.917 -6.880 1.00 1.12 H new ATOM 0 HG2 MET A 15 3.434 -8.622 -6.439 1.00 1.22 H new ATOM 0 HG3 MET A 15 2.747 -10.118 -7.039 1.00 1.22 H new ATOM 0 HE1 MET A 15 6.485 -10.289 -8.246 1.00 2.33 H new ATOM 0 HE2 MET A 15 5.877 -9.568 -6.737 1.00 2.33 H new ATOM 0 HE3 MET A 15 5.195 -11.101 -7.328 1.00 2.33 H new ATOM 233 N THR A 16 1.588 -9.177 -10.763 1.00 1.83 N ATOM 234 CA THR A 16 2.385 -9.576 -11.921 1.00 2.26 C ATOM 235 C THR A 16 2.941 -8.332 -12.613 1.00 2.00 C ATOM 236 O THR A 16 4.155 -8.178 -12.731 1.00 2.68 O ATOM 237 CB THR A 16 1.598 -10.477 -12.896 1.00 2.71 C ATOM 238 OG1 THR A 16 0.211 -10.264 -12.735 1.00 2.60 O ATOM 239 CG2 THR A 16 1.866 -11.975 -12.690 1.00 3.69 C ATOM 0 H THR A 16 1.208 -8.235 -10.855 1.00 1.83 H new ATOM 0 HA THR A 16 3.219 -10.183 -11.569 1.00 2.26 H new ATOM 0 HB THR A 16 1.936 -10.203 -13.896 1.00 2.71 H new ATOM 0 HG1 THR A 16 -0.283 -10.838 -13.358 1.00 2.60 H new ATOM 0 HG21 THR A 16 1.282 -12.551 -13.407 1.00 3.69 H new ATOM 0 HG22 THR A 16 2.926 -12.179 -12.839 1.00 3.69 H new ATOM 0 HG23 THR A 16 1.580 -12.260 -11.677 1.00 3.69 H new ATOM 247 N CYS A 17 2.058 -7.435 -13.052 1.00 1.35 N ATOM 248 CA CYS A 17 2.462 -6.166 -13.641 1.00 1.54 C ATOM 249 C CYS A 17 2.794 -5.160 -12.536 1.00 1.53 C ATOM 250 O CYS A 17 2.017 -4.951 -11.600 1.00 2.30 O ATOM 251 CB CYS A 17 1.385 -5.631 -14.599 1.00 1.60 C ATOM 252 SG CYS A 17 -0.231 -5.614 -13.781 1.00 1.71 S ATOM 0 H CYS A 17 1.048 -7.570 -13.008 1.00 1.35 H new ATOM 0 HA CYS A 17 3.362 -6.324 -14.236 1.00 1.54 H new ATOM 0 HB2 CYS A 17 1.646 -4.624 -14.925 1.00 1.60 H new ATOM 0 HB3 CYS A 17 1.341 -6.254 -15.493 1.00 1.60 H new ATOM 257 N ALA A 18 3.928 -4.469 -12.672 1.00 1.54 N ATOM 258 CA ALA A 18 4.286 -3.346 -11.817 1.00 1.51 C ATOM 259 C ALA A 18 3.463 -2.114 -12.219 1.00 1.26 C ATOM 260 O ALA A 18 4.021 -1.069 -12.546 1.00 1.94 O ATOM 261 CB ALA A 18 5.795 -3.097 -11.938 1.00 1.99 C ATOM 0 H ALA A 18 4.626 -4.678 -13.386 1.00 1.54 H new ATOM 0 HA ALA A 18 4.059 -3.564 -10.773 1.00 1.51 H new ATOM 0 HB1 ALA A 18 6.077 -2.258 -11.302 1.00 1.99 H new ATOM 0 HB2 ALA A 18 6.337 -3.989 -11.624 1.00 1.99 H new ATOM 0 HB3 ALA A 18 6.044 -2.867 -12.974 1.00 1.99 H new ATOM 267 N ALA A 19 2.133 -2.248 -12.232 1.00 0.91 N ATOM 268 CA ALA A 19 1.218 -1.258 -12.786 1.00 0.61 C ATOM 269 C ALA A 19 -0.133 -1.328 -12.082 1.00 0.47 C ATOM 270 O ALA A 19 -0.580 -0.342 -11.499 1.00 0.63 O ATOM 271 CB ALA A 19 1.074 -1.469 -14.295 1.00 0.63 C ATOM 0 H ALA A 19 1.658 -3.065 -11.849 1.00 0.91 H new ATOM 0 HA ALA A 19 1.625 -0.261 -12.619 1.00 0.61 H new ATOM 0 HB1 ALA A 19 0.389 -0.726 -14.703 1.00 0.63 H new ATOM 0 HB2 ALA A 19 2.049 -1.364 -14.772 1.00 0.63 H new ATOM 0 HB3 ALA A 19 0.682 -2.468 -14.487 1.00 0.63 H new ATOM 277 N CYS A 20 -0.791 -2.487 -12.084 1.00 0.38 N ATOM 278 CA CYS A 20 -1.972 -2.681 -11.253 1.00 0.42 C ATOM 279 C CYS A 20 -1.599 -2.503 -9.783 1.00 0.44 C ATOM 280 O CYS A 20 -2.267 -1.777 -9.046 1.00 0.44 O ATOM 281 CB CYS A 20 -2.599 -4.042 -11.560 1.00 0.54 C ATOM 282 SG CYS A 20 -3.374 -3.909 -13.200 1.00 1.37 S ATOM 0 H CYS A 20 -0.528 -3.296 -12.646 1.00 0.38 H new ATOM 0 HA CYS A 20 -2.729 -1.930 -11.478 1.00 0.42 H new ATOM 0 HB2 CYS A 20 -1.842 -4.826 -11.553 1.00 0.54 H new ATOM 0 HB3 CYS A 20 -3.338 -4.306 -10.804 1.00 0.54 H new ATOM 287 N ALA A 21 -0.454 -3.060 -9.394 1.00 0.48 N ATOM 288 CA ALA A 21 0.149 -2.816 -8.094 1.00 0.51 C ATOM 289 C ALA A 21 0.363 -1.319 -7.801 1.00 0.46 C ATOM 290 O ALA A 21 0.521 -0.943 -6.647 1.00 0.45 O ATOM 291 CB ALA A 21 1.452 -3.608 -7.999 1.00 0.63 C ATOM 0 H ALA A 21 0.083 -3.699 -9.981 1.00 0.48 H new ATOM 0 HA ALA A 21 -0.543 -3.158 -7.324 1.00 0.51 H new ATOM 0 HB1 ALA A 21 1.914 -3.433 -7.027 1.00 0.63 H new ATOM 0 HB2 ALA A 21 1.241 -4.671 -8.114 1.00 0.63 H new ATOM 0 HB3 ALA A 21 2.132 -3.286 -8.788 1.00 0.63 H new ATOM 297 N ALA A 22 0.387 -0.438 -8.807 1.00 0.47 N ATOM 298 CA ALA A 22 0.365 0.996 -8.565 1.00 0.46 C ATOM 299 C ALA A 22 -1.022 1.445 -8.108 1.00 0.44 C ATOM 300 O ALA A 22 -1.136 2.175 -7.124 1.00 0.42 O ATOM 301 CB ALA A 22 0.818 1.765 -9.808 1.00 0.46 C ATOM 0 H ALA A 22 0.422 -0.699 -9.792 1.00 0.47 H new ATOM 0 HA ALA A 22 1.069 1.220 -7.763 1.00 0.46 H new ATOM 0 HB1 ALA A 22 0.793 2.835 -9.603 1.00 0.46 H new ATOM 0 HB2 ALA A 22 1.834 1.469 -10.069 1.00 0.46 H new ATOM 0 HB3 ALA A 22 0.150 1.539 -10.639 1.00 0.46 H new ATOM 307 N ARG A 23 -2.070 1.051 -8.845 1.00 0.47 N ATOM 308 CA ARG A 23 -3.430 1.512 -8.580 1.00 0.45 C ATOM 309 C ARG A 23 -3.767 1.340 -7.108 1.00 0.40 C ATOM 310 O ARG A 23 -4.339 2.244 -6.505 1.00 0.38 O ATOM 311 CB ARG A 23 -4.489 0.762 -9.404 1.00 0.64 C ATOM 312 CG ARG A 23 -4.898 1.456 -10.707 1.00 1.21 C ATOM 313 CD ARG A 23 -3.946 1.174 -11.875 1.00 1.21 C ATOM 314 NE ARG A 23 -4.718 0.980 -13.115 1.00 1.91 N ATOM 315 CZ ARG A 23 -4.213 0.585 -14.293 1.00 3.23 C ATOM 316 NH1 ARG A 23 -2.891 0.449 -14.436 1.00 4.18 N ATOM 317 NH2 ARG A 23 -5.038 0.339 -15.318 1.00 4.18 N ATOM 0 H ARG A 23 -1.995 0.409 -9.634 1.00 0.47 H new ATOM 0 HA ARG A 23 -3.454 2.563 -8.868 1.00 0.45 H new ATOM 0 HB2 ARG A 23 -4.108 -0.231 -9.642 1.00 0.64 H new ATOM 0 HB3 ARG A 23 -5.378 0.623 -8.788 1.00 0.64 H new ATOM 0 HG2 ARG A 23 -5.902 1.134 -10.981 1.00 1.21 H new ATOM 0 HG3 ARG A 23 -4.944 2.532 -10.538 1.00 1.21 H new ATOM 0 HD2 ARG A 23 -3.249 2.003 -11.996 1.00 1.21 H new ATOM 0 HD3 ARG A 23 -3.351 0.286 -11.664 1.00 1.21 H new ATOM 0 HE ARG A 23 -5.721 1.161 -13.074 1.00 1.91 H new ATOM 0 HH11 ARG A 23 -2.270 0.645 -13.651 1.00 4.18 H new ATOM 0 HH12 ARG A 23 -2.503 0.149 -15.330 1.00 4.18 H new ATOM 0 HH21 ARG A 23 -6.045 0.452 -15.201 1.00 4.18 H new ATOM 0 HH22 ARG A 23 -4.660 0.038 -16.216 1.00 4.18 H new ATOM 331 N ILE A 24 -3.431 0.181 -6.543 1.00 0.42 N ATOM 332 CA ILE A 24 -3.774 -0.108 -5.161 1.00 0.43 C ATOM 333 C ILE A 24 -3.196 0.960 -4.225 1.00 0.43 C ATOM 334 O ILE A 24 -3.954 1.620 -3.518 1.00 0.45 O ATOM 335 CB ILE A 24 -3.480 -1.571 -4.793 1.00 0.42 C ATOM 336 CG1 ILE A 24 -1.978 -1.790 -4.645 1.00 0.41 C ATOM 337 CG2 ILE A 24 -4.099 -2.481 -5.861 1.00 0.50 C ATOM 338 CD1 ILE A 24 -1.509 -3.242 -4.617 1.00 0.43 C ATOM 0 H ILE A 24 -2.925 -0.565 -7.021 1.00 0.42 H new ATOM 0 HA ILE A 24 -4.853 -0.032 -5.025 1.00 0.43 H new ATOM 0 HB ILE A 24 -3.928 -1.818 -3.830 1.00 0.42 H new ATOM 0 HG12 ILE A 24 -1.475 -1.283 -5.469 1.00 0.41 H new ATOM 0 HG13 ILE A 24 -1.650 -1.306 -3.725 1.00 0.41 H new ATOM 0 HG21 ILE A 24 -3.898 -3.523 -5.612 1.00 0.50 H new ATOM 0 HG22 ILE A 24 -5.176 -2.318 -5.898 1.00 0.50 H new ATOM 0 HG23 ILE A 24 -3.664 -2.250 -6.833 1.00 0.50 H new ATOM 0 HD11 ILE A 24 -0.425 -3.272 -4.509 1.00 0.43 H new ATOM 0 HD12 ILE A 24 -1.972 -3.758 -3.776 1.00 0.43 H new ATOM 0 HD13 ILE A 24 -1.794 -3.735 -5.547 1.00 0.43 H new ATOM 350 N GLU A 25 -1.886 1.206 -4.292 1.00 0.41 N ATOM 351 CA GLU A 25 -1.212 2.245 -3.527 1.00 0.37 C ATOM 352 C GLU A 25 -1.793 3.630 -3.806 1.00 0.29 C ATOM 353 O GLU A 25 -1.990 4.417 -2.886 1.00 0.28 O ATOM 354 CB GLU A 25 0.297 2.211 -3.820 1.00 0.40 C ATOM 355 CG GLU A 25 1.044 1.468 -2.707 1.00 0.50 C ATOM 356 CD GLU A 25 0.478 0.078 -2.464 1.00 1.22 C ATOM 357 OE1 GLU A 25 0.751 -0.791 -3.315 1.00 2.14 O ATOM 358 OE2 GLU A 25 -0.215 -0.081 -1.435 1.00 2.34 O ATOM 0 H GLU A 25 -1.256 0.675 -4.893 1.00 0.41 H new ATOM 0 HA GLU A 25 -1.375 2.044 -2.468 1.00 0.37 H new ATOM 0 HB2 GLU A 25 0.477 1.720 -4.777 1.00 0.40 H new ATOM 0 HB3 GLU A 25 0.680 3.228 -3.907 1.00 0.40 H new ATOM 0 HG2 GLU A 25 2.099 1.388 -2.970 1.00 0.50 H new ATOM 0 HG3 GLU A 25 0.989 2.047 -1.785 1.00 0.50 H new ATOM 365 N LYS A 26 -2.052 3.954 -5.072 1.00 0.27 N ATOM 366 CA LYS A 26 -2.515 5.288 -5.440 1.00 0.26 C ATOM 367 C LYS A 26 -3.919 5.536 -4.875 1.00 0.27 C ATOM 368 O LYS A 26 -4.181 6.577 -4.276 1.00 0.39 O ATOM 369 CB LYS A 26 -2.467 5.486 -6.963 1.00 0.39 C ATOM 370 CG LYS A 26 -1.136 6.076 -7.463 1.00 0.48 C ATOM 371 CD LYS A 26 0.075 5.152 -7.321 1.00 1.22 C ATOM 372 CE LYS A 26 1.277 5.767 -8.053 1.00 1.00 C ATOM 373 NZ LYS A 26 2.537 5.059 -7.751 1.00 1.86 N ATOM 0 H LYS A 26 -1.949 3.311 -5.857 1.00 0.27 H new ATOM 0 HA LYS A 26 -1.844 6.026 -5.001 1.00 0.26 H new ATOM 0 HB2 LYS A 26 -2.637 4.527 -7.452 1.00 0.39 H new ATOM 0 HB3 LYS A 26 -3.282 6.145 -7.262 1.00 0.39 H new ATOM 0 HG2 LYS A 26 -1.247 6.345 -8.513 1.00 0.48 H new ATOM 0 HG3 LYS A 26 -0.937 6.998 -6.917 1.00 0.48 H new ATOM 0 HD2 LYS A 26 0.313 5.006 -6.267 1.00 1.22 H new ATOM 0 HD3 LYS A 26 -0.153 4.170 -7.735 1.00 1.22 H new ATOM 0 HE2 LYS A 26 1.097 5.742 -9.128 1.00 1.00 H new ATOM 0 HE3 LYS A 26 1.375 6.815 -7.770 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 3.320 5.509 -8.267 1.00 1.86 H new ATOM 0 HZ2 LYS A 26 2.724 5.104 -6.729 1.00 1.86 H new ATOM 0 HZ3 LYS A 26 2.455 4.065 -8.044 1.00 1.86 H new ATOM 387 N GLY A 27 -4.824 4.574 -5.050 1.00 0.29 N ATOM 388 CA GLY A 27 -6.149 4.622 -4.455 1.00 0.37 C ATOM 389 C GLY A 27 -6.044 4.624 -2.933 1.00 0.43 C ATOM 390 O GLY A 27 -6.779 5.337 -2.252 1.00 0.62 O ATOM 0 H GLY A 27 -4.654 3.739 -5.611 1.00 0.29 H new ATOM 0 HA2 GLY A 27 -6.674 5.516 -4.792 1.00 0.37 H new ATOM 0 HA3 GLY A 27 -6.735 3.764 -4.785 1.00 0.37 H new ATOM 394 N LEU A 28 -5.129 3.824 -2.387 1.00 0.36 N ATOM 395 CA LEU A 28 -4.921 3.748 -0.949 1.00 0.43 C ATOM 396 C LEU A 28 -4.467 5.111 -0.417 1.00 0.40 C ATOM 397 O LEU A 28 -4.956 5.572 0.611 1.00 0.50 O ATOM 398 CB LEU A 28 -3.990 2.566 -0.648 1.00 0.52 C ATOM 399 CG LEU A 28 -3.593 2.320 0.812 1.00 0.59 C ATOM 400 CD1 LEU A 28 -2.298 3.067 1.143 1.00 2.18 C ATOM 401 CD2 LEU A 28 -4.719 2.637 1.801 1.00 2.07 C ATOM 0 H LEU A 28 -4.516 3.215 -2.929 1.00 0.36 H new ATOM 0 HA LEU A 28 -5.844 3.540 -0.409 1.00 0.43 H new ATOM 0 HB2 LEU A 28 -4.468 1.660 -1.022 1.00 0.52 H new ATOM 0 HB3 LEU A 28 -3.075 2.705 -1.224 1.00 0.52 H new ATOM 0 HG LEU A 28 -3.408 1.252 0.925 1.00 0.59 H new ATOM 0 HD11 LEU A 28 -2.028 2.883 2.183 1.00 2.18 H new ATOM 0 HD12 LEU A 28 -1.498 2.714 0.492 1.00 2.18 H new ATOM 0 HD13 LEU A 28 -2.445 4.136 0.990 1.00 2.18 H new ATOM 0 HD21 LEU A 28 -4.376 2.443 2.817 1.00 2.07 H new ATOM 0 HD22 LEU A 28 -5.001 3.686 1.707 1.00 2.07 H new ATOM 0 HD23 LEU A 28 -5.582 2.008 1.583 1.00 2.07 H new ATOM 413 N LYS A 29 -3.634 5.832 -1.170 1.00 0.34 N ATOM 414 CA LYS A 29 -3.240 7.199 -0.848 1.00 0.38 C ATOM 415 C LYS A 29 -4.430 8.130 -0.592 1.00 0.43 C ATOM 416 O LYS A 29 -4.228 9.233 -0.087 1.00 0.67 O ATOM 417 CB LYS A 29 -2.370 7.784 -1.970 1.00 0.43 C ATOM 418 CG LYS A 29 -1.386 8.848 -1.458 1.00 0.64 C ATOM 419 CD LYS A 29 -1.175 9.973 -2.487 1.00 0.74 C ATOM 420 CE LYS A 29 -1.986 11.239 -2.174 1.00 1.86 C ATOM 421 NZ LYS A 29 -3.417 10.980 -1.932 1.00 3.21 N ATOM 0 H LYS A 29 -3.212 5.477 -2.028 1.00 0.34 H new ATOM 0 HA LYS A 29 -2.672 7.138 0.080 1.00 0.38 H new ATOM 0 HB2 LYS A 29 -1.813 6.980 -2.450 1.00 0.43 H new ATOM 0 HB3 LYS A 29 -3.013 8.225 -2.732 1.00 0.43 H new ATOM 0 HG2 LYS A 29 -1.762 9.273 -0.527 1.00 0.64 H new ATOM 0 HG3 LYS A 29 -0.429 8.379 -1.231 1.00 0.64 H new ATOM 0 HD2 LYS A 29 -0.116 10.228 -2.525 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -1.451 9.608 -3.476 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -1.560 11.725 -1.296 1.00 1.86 H new ATOM 0 HE3 LYS A 29 -1.887 11.938 -3.005 1.00 1.86 H new ATOM 0 HZ1 LYS A 29 -3.945 11.875 -1.980 1.00 3.21 H new ATOM 0 HZ2 LYS A 29 -3.779 10.326 -2.655 1.00 3.21 H new ATOM 0 HZ3 LYS A 29 -3.539 10.556 -0.990 1.00 3.21 H new ATOM 435 N ARG A 30 -5.639 7.776 -1.039 1.00 0.45 N ATOM 436 CA ARG A 30 -6.835 8.589 -0.868 1.00 0.53 C ATOM 437 C ARG A 30 -7.559 8.290 0.456 1.00 0.50 C ATOM 438 O ARG A 30 -8.573 8.926 0.733 1.00 0.56 O ATOM 439 CB ARG A 30 -7.731 8.405 -2.108 1.00 0.60 C ATOM 440 CG ARG A 30 -7.906 9.707 -2.904 1.00 0.93 C ATOM 441 CD ARG A 30 -8.264 9.386 -4.361 1.00 1.57 C ATOM 442 NE ARG A 30 -8.528 10.611 -5.133 1.00 1.83 N ATOM 443 CZ ARG A 30 -8.612 10.675 -6.474 1.00 2.90 C ATOM 444 NH1 ARG A 30 -8.444 9.569 -7.208 1.00 4.36 N ATOM 445 NH2 ARG A 30 -8.864 11.844 -7.075 1.00 3.13 N ATOM 0 H ARG A 30 -5.811 6.902 -1.537 1.00 0.45 H new ATOM 0 HA ARG A 30 -6.557 9.640 -0.794 1.00 0.53 H new ATOM 0 HB2 ARG A 30 -7.298 7.642 -2.755 1.00 0.60 H new ATOM 0 HB3 ARG A 30 -8.709 8.040 -1.795 1.00 0.60 H new ATOM 0 HG2 ARG A 30 -8.690 10.316 -2.454 1.00 0.93 H new ATOM 0 HG3 ARG A 30 -6.987 10.292 -2.867 1.00 0.93 H new ATOM 0 HD2 ARG A 30 -7.448 8.832 -4.824 1.00 1.57 H new ATOM 0 HD3 ARG A 30 -9.142 8.741 -4.388 1.00 1.57 H new ATOM 0 HE ARG A 30 -8.657 11.478 -4.611 1.00 1.83 H new ATOM 0 HH11 ARG A 30 -8.252 8.678 -6.751 1.00 4.36 H new ATOM 0 HH12 ARG A 30 -8.508 9.617 -8.225 1.00 4.36 H new ATOM 0 HH21 ARG A 30 -8.993 12.688 -6.516 1.00 3.13 H new ATOM 0 HH22 ARG A 30 -8.927 11.891 -8.092 1.00 3.13 H new ATOM 459 N MET A 31 -7.063 7.357 1.280 1.00 0.48 N ATOM 460 CA MET A 31 -7.604 7.134 2.619 1.00 0.51 C ATOM 461 C MET A 31 -7.121 8.192 3.614 1.00 0.47 C ATOM 462 O MET A 31 -6.073 8.801 3.407 1.00 0.44 O ATOM 463 CB MET A 31 -7.202 5.747 3.139 1.00 0.60 C ATOM 464 CG MET A 31 -8.171 4.665 2.670 1.00 1.79 C ATOM 465 SD MET A 31 -8.439 3.363 3.898 1.00 2.96 S ATOM 466 CE MET A 31 -10.216 3.526 4.196 1.00 3.61 C ATOM 0 H MET A 31 -6.285 6.744 1.037 1.00 0.48 H new ATOM 0 HA MET A 31 -8.689 7.202 2.536 1.00 0.51 H new ATOM 0 HB2 MET A 31 -6.196 5.508 2.796 1.00 0.60 H new ATOM 0 HB3 MET A 31 -7.172 5.761 4.229 1.00 0.60 H new ATOM 0 HG2 MET A 31 -9.128 5.126 2.424 1.00 1.79 H new ATOM 0 HG3 MET A 31 -7.788 4.217 1.753 1.00 1.79 H new ATOM 0 HE1 MET A 31 -10.531 2.787 4.933 1.00 3.61 H new ATOM 0 HE2 MET A 31 -10.432 4.527 4.570 1.00 3.61 H new ATOM 0 HE3 MET A 31 -10.758 3.362 3.264 1.00 3.61 H new ATOM 476 N PRO A 32 -7.857 8.375 4.725 1.00 0.55 N ATOM 477 CA PRO A 32 -7.404 9.196 5.835 1.00 0.57 C ATOM 478 C PRO A 32 -6.055 8.692 6.359 1.00 0.56 C ATOM 479 O PRO A 32 -5.765 7.496 6.333 1.00 0.73 O ATOM 480 CB PRO A 32 -8.507 9.101 6.897 1.00 0.75 C ATOM 481 CG PRO A 32 -9.178 7.762 6.596 1.00 0.78 C ATOM 482 CD PRO A 32 -9.101 7.700 5.073 1.00 0.66 C ATOM 0 HA PRO A 32 -7.241 10.233 5.542 1.00 0.57 H new ATOM 0 HB2 PRO A 32 -8.096 9.126 7.906 1.00 0.75 H new ATOM 0 HB3 PRO A 32 -9.211 9.929 6.819 1.00 0.75 H new ATOM 0 HG2 PRO A 32 -8.654 6.929 7.065 1.00 0.78 H new ATOM 0 HG3 PRO A 32 -10.207 7.733 6.953 1.00 0.78 H new ATOM 0 HD2 PRO A 32 -9.101 6.669 4.720 1.00 0.66 H new ATOM 0 HD3 PRO A 32 -9.958 8.194 4.615 1.00 0.66 H new ATOM 490 N GLY A 33 -5.206 9.617 6.808 1.00 0.59 N ATOM 491 CA GLY A 33 -3.923 9.291 7.412 1.00 0.60 C ATOM 492 C GLY A 33 -2.820 9.040 6.382 1.00 0.49 C ATOM 493 O GLY A 33 -1.650 9.277 6.679 1.00 0.60 O ATOM 0 H GLY A 33 -5.395 10.618 6.760 1.00 0.59 H new ATOM 0 HA2 GLY A 33 -3.620 10.107 8.068 1.00 0.60 H new ATOM 0 HA3 GLY A 33 -4.037 8.405 8.036 1.00 0.60 H new ATOM 497 N VAL A 34 -3.155 8.562 5.177 1.00 0.42 N ATOM 498 CA VAL A 34 -2.157 8.349 4.140 1.00 0.32 C ATOM 499 C VAL A 34 -1.919 9.652 3.381 1.00 0.35 C ATOM 500 O VAL A 34 -2.870 10.326 2.993 1.00 0.56 O ATOM 501 CB VAL A 34 -2.543 7.200 3.200 1.00 0.36 C ATOM 502 CG1 VAL A 34 -1.332 6.881 2.309 1.00 0.32 C ATOM 503 CG2 VAL A 34 -2.942 5.944 3.988 1.00 0.45 C ATOM 0 H VAL A 34 -4.107 8.319 4.904 1.00 0.42 H new ATOM 0 HA VAL A 34 -1.223 8.049 4.615 1.00 0.32 H new ATOM 0 HB VAL A 34 -3.400 7.504 2.599 1.00 0.36 H new ATOM 0 HG11 VAL A 34 -1.584 6.065 1.631 1.00 0.32 H new ATOM 0 HG12 VAL A 34 -1.064 7.765 1.730 1.00 0.32 H new ATOM 0 HG13 VAL A 34 -0.488 6.587 2.933 1.00 0.32 H new ATOM 0 HG21 VAL A 34 -3.210 5.148 3.293 1.00 0.45 H new ATOM 0 HG22 VAL A 34 -2.104 5.620 4.605 1.00 0.45 H new ATOM 0 HG23 VAL A 34 -3.796 6.171 4.626 1.00 0.45 H new ATOM 513 N THR A 35 -0.646 9.991 3.166 1.00 0.29 N ATOM 514 CA THR A 35 -0.236 11.241 2.540 1.00 0.32 C ATOM 515 C THR A 35 0.459 10.961 1.211 1.00 0.35 C ATOM 516 O THR A 35 0.185 11.661 0.240 1.00 0.49 O ATOM 517 CB THR A 35 0.615 12.035 3.538 1.00 0.37 C ATOM 518 OG1 THR A 35 -0.192 12.953 4.245 1.00 0.87 O ATOM 519 CG2 THR A 35 1.816 12.767 2.946 1.00 0.71 C ATOM 0 H THR A 35 0.138 9.393 3.427 1.00 0.29 H new ATOM 0 HA THR A 35 -1.098 11.860 2.292 1.00 0.32 H new ATOM 0 HB THR A 35 1.034 11.279 4.202 1.00 0.37 H new ATOM 0 HG1 THR A 35 0.228 13.164 5.105 1.00 0.87 H new ATOM 0 HG21 THR A 35 2.347 13.295 3.738 1.00 0.71 H new ATOM 0 HG22 THR A 35 2.487 12.047 2.478 1.00 0.71 H new ATOM 0 HG23 THR A 35 1.474 13.483 2.199 1.00 0.71 H new ATOM 527 N ASP A 36 1.315 9.937 1.134 1.00 0.30 N ATOM 528 CA ASP A 36 1.955 9.548 -0.110 1.00 0.36 C ATOM 529 C ASP A 36 2.078 8.035 -0.157 1.00 0.32 C ATOM 530 O ASP A 36 1.908 7.361 0.856 1.00 0.30 O ATOM 531 CB ASP A 36 3.304 10.263 -0.298 1.00 0.47 C ATOM 532 CG ASP A 36 3.199 11.345 -1.361 1.00 0.87 C ATOM 533 OD1 ASP A 36 2.773 10.981 -2.482 1.00 1.50 O ATOM 534 OD2 ASP A 36 3.543 12.502 -1.039 1.00 2.12 O ATOM 0 H ASP A 36 1.578 9.361 1.934 1.00 0.30 H new ATOM 0 HA ASP A 36 1.337 9.863 -0.951 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.621 10.705 0.647 1.00 0.47 H new ATOM 0 HB3 ASP A 36 4.067 9.539 -0.584 1.00 0.47 H new ATOM 539 N ALA A 37 2.317 7.488 -1.346 1.00 0.37 N ATOM 540 CA ALA A 37 2.485 6.051 -1.526 1.00 0.37 C ATOM 541 C ALA A 37 3.294 5.729 -2.777 1.00 0.41 C ATOM 542 O ALA A 37 3.178 6.420 -3.789 1.00 0.48 O ATOM 543 CB ALA A 37 1.120 5.360 -1.547 1.00 0.45 C ATOM 0 H ALA A 37 2.399 8.027 -2.208 1.00 0.37 H new ATOM 0 HA ALA A 37 3.053 5.666 -0.679 1.00 0.37 H new ATOM 0 HB1 ALA A 37 1.257 4.287 -1.682 1.00 0.45 H new ATOM 0 HB2 ALA A 37 0.604 5.544 -0.604 1.00 0.45 H new ATOM 0 HB3 ALA A 37 0.524 5.756 -2.370 1.00 0.45 H new ATOM 549 N ASN A 38 4.126 4.685 -2.708 1.00 0.36 N ATOM 550 CA ASN A 38 5.155 4.419 -3.697 1.00 0.37 C ATOM 551 C ASN A 38 5.365 2.912 -3.698 1.00 0.31 C ATOM 552 O ASN A 38 6.018 2.364 -2.810 1.00 0.37 O ATOM 553 CB ASN A 38 6.484 5.155 -3.404 1.00 0.38 C ATOM 554 CG ASN A 38 6.555 5.963 -2.108 1.00 0.35 C ATOM 555 OD1 ASN A 38 6.848 7.152 -2.128 1.00 0.47 O ATOM 556 ND2 ASN A 38 6.308 5.333 -0.963 1.00 0.33 N ATOM 0 H ASN A 38 4.097 3.999 -1.954 1.00 0.36 H new ATOM 0 HA ASN A 38 4.833 4.790 -4.670 1.00 0.37 H new ATOM 0 HB2 ASN A 38 7.285 4.416 -3.387 1.00 0.38 H new ATOM 0 HB3 ASN A 38 6.689 5.829 -4.236 1.00 0.38 H new ATOM 0 HD21 ASN A 38 6.361 5.841 -0.080 1.00 0.33 H new ATOM 0 HD22 ASN A 38 6.066 4.342 -0.968 1.00 0.33 H new ATOM 563 N VAL A 39 4.798 2.239 -4.696 1.00 0.33 N ATOM 564 CA VAL A 39 4.987 0.807 -4.850 1.00 0.32 C ATOM 565 C VAL A 39 6.343 0.577 -5.543 1.00 0.34 C ATOM 566 O VAL A 39 6.726 1.385 -6.389 1.00 0.79 O ATOM 567 CB VAL A 39 3.773 0.240 -5.602 1.00 0.43 C ATOM 568 CG1 VAL A 39 3.802 0.533 -7.110 1.00 0.51 C ATOM 569 CG2 VAL A 39 3.597 -1.240 -5.260 1.00 0.72 C ATOM 0 H VAL A 39 4.205 2.666 -5.408 1.00 0.33 H new ATOM 0 HA VAL A 39 5.032 0.274 -3.900 1.00 0.32 H new ATOM 0 HB VAL A 39 2.882 0.764 -5.257 1.00 0.43 H new ATOM 0 HG11 VAL A 39 2.917 0.105 -7.581 1.00 0.51 H new ATOM 0 HG12 VAL A 39 3.814 1.611 -7.271 1.00 0.51 H new ATOM 0 HG13 VAL A 39 4.696 0.091 -7.549 1.00 0.51 H new ATOM 0 HG21 VAL A 39 2.735 -1.637 -5.796 1.00 0.72 H new ATOM 0 HG22 VAL A 39 4.491 -1.790 -5.553 1.00 0.72 H new ATOM 0 HG23 VAL A 39 3.439 -1.349 -4.187 1.00 0.72 H new ATOM 579 N ASN A 40 7.096 -0.469 -5.172 1.00 0.70 N ATOM 580 CA ASN A 40 8.473 -0.683 -5.622 1.00 0.69 C ATOM 581 C ASN A 40 8.683 -2.155 -5.995 1.00 0.53 C ATOM 582 O ASN A 40 9.462 -2.893 -5.385 1.00 0.40 O ATOM 583 CB ASN A 40 9.445 -0.211 -4.532 1.00 0.70 C ATOM 584 CG ASN A 40 10.899 -0.271 -4.993 1.00 0.77 C ATOM 585 OD1 ASN A 40 11.192 -0.571 -6.147 1.00 0.91 O ATOM 586 ND2 ASN A 40 11.831 0.029 -4.094 1.00 0.87 N ATOM 0 H ASN A 40 6.758 -1.197 -4.543 1.00 0.70 H new ATOM 0 HA ASN A 40 8.670 -0.096 -6.519 1.00 0.69 H new ATOM 0 HB2 ASN A 40 9.198 0.811 -4.245 1.00 0.70 H new ATOM 0 HB3 ASN A 40 9.321 -0.830 -3.644 1.00 0.70 H new ATOM 0 HD21 ASN A 40 12.817 0.013 -4.356 1.00 0.87 H new ATOM 0 HD22 ASN A 40 11.561 0.275 -3.142 1.00 0.87 H new ATOM 593 N LEU A 41 7.957 -2.585 -7.029 1.00 0.64 N ATOM 594 CA LEU A 41 7.914 -3.978 -7.448 1.00 0.63 C ATOM 595 C LEU A 41 9.235 -4.406 -8.083 1.00 0.70 C ATOM 596 O LEU A 41 9.543 -5.593 -8.126 1.00 0.78 O ATOM 597 CB LEU A 41 6.744 -4.240 -8.405 1.00 0.86 C ATOM 598 CG LEU A 41 5.340 -3.909 -7.870 1.00 0.79 C ATOM 599 CD1 LEU A 41 5.148 -4.356 -6.419 1.00 2.57 C ATOM 600 CD2 LEU A 41 4.999 -2.427 -8.037 1.00 2.81 C ATOM 0 H LEU A 41 7.380 -1.968 -7.600 1.00 0.64 H new ATOM 0 HA LEU A 41 7.757 -4.580 -6.553 1.00 0.63 H new ATOM 0 HB2 LEU A 41 6.909 -3.662 -9.314 1.00 0.86 H new ATOM 0 HB3 LEU A 41 6.763 -5.292 -8.689 1.00 0.86 H new ATOM 0 HG LEU A 41 4.640 -4.481 -8.479 1.00 0.79 H new ATOM 0 HD11 LEU A 41 4.141 -4.099 -6.089 1.00 2.57 H new ATOM 0 HD12 LEU A 41 5.289 -5.435 -6.349 1.00 2.57 H new ATOM 0 HD13 LEU A 41 5.877 -3.853 -5.784 1.00 2.57 H new ATOM 0 HD21 LEU A 41 3.999 -2.237 -7.646 1.00 2.81 H new ATOM 0 HD22 LEU A 41 5.723 -1.823 -7.490 1.00 2.81 H new ATOM 0 HD23 LEU A 41 5.032 -2.163 -9.094 1.00 2.81 H new ATOM 612 N ALA A 42 10.035 -3.438 -8.538 1.00 0.75 N ATOM 613 CA ALA A 42 11.394 -3.657 -9.020 1.00 0.81 C ATOM 614 C ALA A 42 12.206 -4.546 -8.076 1.00 0.71 C ATOM 615 O ALA A 42 12.996 -5.361 -8.543 1.00 0.84 O ATOM 616 CB ALA A 42 12.103 -2.313 -9.191 1.00 0.84 C ATOM 0 H ALA A 42 9.746 -2.461 -8.581 1.00 0.75 H new ATOM 0 HA ALA A 42 11.322 -4.171 -9.979 1.00 0.81 H new ATOM 0 HB1 ALA A 42 13.118 -2.480 -9.551 1.00 0.84 H new ATOM 0 HB2 ALA A 42 11.558 -1.703 -9.912 1.00 0.84 H new ATOM 0 HB3 ALA A 42 12.139 -1.796 -8.232 1.00 0.84 H new ATOM 622 N THR A 43 12.021 -4.380 -6.760 1.00 0.53 N ATOM 623 CA THR A 43 12.637 -5.242 -5.755 1.00 0.56 C ATOM 624 C THR A 43 11.559 -5.943 -4.920 1.00 0.70 C ATOM 625 O THR A 43 11.795 -6.252 -3.754 1.00 1.29 O ATOM 626 CB THR A 43 13.638 -4.431 -4.912 1.00 0.51 C ATOM 627 OG1 THR A 43 14.301 -5.265 -3.986 1.00 0.74 O ATOM 628 CG2 THR A 43 12.985 -3.276 -4.148 1.00 0.56 C ATOM 0 H THR A 43 11.438 -3.641 -6.366 1.00 0.53 H new ATOM 0 HA THR A 43 13.207 -6.034 -6.240 1.00 0.56 H new ATOM 0 HB THR A 43 14.348 -4.006 -5.622 1.00 0.51 H new ATOM 0 HG1 THR A 43 13.644 -5.824 -3.520 1.00 0.74 H new ATOM 0 HG21 THR A 43 13.744 -2.744 -3.574 1.00 0.56 H new ATOM 0 HG22 THR A 43 12.518 -2.590 -4.855 1.00 0.56 H new ATOM 0 HG23 THR A 43 12.227 -3.670 -3.471 1.00 0.56 H new ATOM 636 N GLU A 44 10.388 -6.188 -5.519 1.00 0.45 N ATOM 637 CA GLU A 44 9.222 -6.798 -4.901 1.00 0.43 C ATOM 638 C GLU A 44 8.950 -6.232 -3.506 1.00 0.49 C ATOM 639 O GLU A 44 8.943 -6.967 -2.523 1.00 0.93 O ATOM 640 CB GLU A 44 9.396 -8.316 -4.858 1.00 0.51 C ATOM 641 CG GLU A 44 9.392 -8.929 -6.263 1.00 0.74 C ATOM 642 CD GLU A 44 9.375 -10.450 -6.194 1.00 1.61 C ATOM 643 OE1 GLU A 44 8.274 -10.985 -5.935 1.00 2.74 O ATOM 644 OE2 GLU A 44 10.456 -11.043 -6.395 1.00 2.58 O ATOM 0 H GLU A 44 10.228 -5.951 -6.498 1.00 0.45 H new ATOM 0 HA GLU A 44 8.350 -6.558 -5.509 1.00 0.43 H new ATOM 0 HB2 GLU A 44 10.333 -8.561 -4.357 1.00 0.51 H new ATOM 0 HB3 GLU A 44 8.594 -8.757 -4.266 1.00 0.51 H new ATOM 0 HG2 GLU A 44 8.521 -8.577 -6.815 1.00 0.74 H new ATOM 0 HG3 GLU A 44 10.273 -8.596 -6.812 1.00 0.74 H new ATOM 651 N THR A 45 8.714 -4.927 -3.398 1.00 0.25 N ATOM 652 CA THR A 45 8.420 -4.270 -2.142 1.00 0.23 C ATOM 653 C THR A 45 7.439 -3.121 -2.406 1.00 0.20 C ATOM 654 O THR A 45 7.247 -2.708 -3.549 1.00 0.25 O ATOM 655 CB THR A 45 9.762 -3.809 -1.561 1.00 0.30 C ATOM 656 OG1 THR A 45 10.592 -4.923 -1.305 1.00 0.71 O ATOM 657 CG2 THR A 45 9.602 -3.037 -0.261 1.00 0.59 C ATOM 0 H THR A 45 8.723 -4.293 -4.197 1.00 0.25 H new ATOM 0 HA THR A 45 7.938 -4.925 -1.416 1.00 0.23 H new ATOM 0 HB THR A 45 10.207 -3.150 -2.306 1.00 0.30 H new ATOM 0 HG1 THR A 45 10.992 -5.232 -2.144 1.00 0.71 H new ATOM 0 HG21 THR A 45 10.583 -2.735 0.106 1.00 0.59 H new ATOM 0 HG22 THR A 45 8.992 -2.151 -0.437 1.00 0.59 H new ATOM 0 HG23 THR A 45 9.116 -3.671 0.481 1.00 0.59 H new ATOM 665 N VAL A 46 6.797 -2.605 -1.361 1.00 0.30 N ATOM 666 CA VAL A 46 5.903 -1.460 -1.451 1.00 0.29 C ATOM 667 C VAL A 46 6.159 -0.555 -0.248 1.00 0.27 C ATOM 668 O VAL A 46 6.439 -1.076 0.834 1.00 0.27 O ATOM 669 CB VAL A 46 4.451 -1.959 -1.555 1.00 0.31 C ATOM 670 CG1 VAL A 46 4.155 -3.162 -0.654 1.00 0.47 C ATOM 671 CG2 VAL A 46 3.445 -0.851 -1.236 1.00 0.32 C ATOM 0 H VAL A 46 6.886 -2.978 -0.416 1.00 0.30 H new ATOM 0 HA VAL A 46 6.088 -0.867 -2.346 1.00 0.29 H new ATOM 0 HB VAL A 46 4.340 -2.275 -2.592 1.00 0.31 H new ATOM 0 HG11 VAL A 46 3.114 -3.462 -0.777 1.00 0.47 H new ATOM 0 HG12 VAL A 46 4.806 -3.992 -0.929 1.00 0.47 H new ATOM 0 HG13 VAL A 46 4.334 -2.890 0.386 1.00 0.47 H new ATOM 0 HG21 VAL A 46 2.432 -1.244 -1.321 1.00 0.32 H new ATOM 0 HG22 VAL A 46 3.611 -0.490 -0.221 1.00 0.32 H new ATOM 0 HG23 VAL A 46 3.575 -0.028 -1.939 1.00 0.32 H new ATOM 681 N ASN A 47 6.082 0.774 -0.432 1.00 0.27 N ATOM 682 CA ASN A 47 6.270 1.745 0.633 1.00 0.27 C ATOM 683 C ASN A 47 5.063 2.668 0.638 1.00 0.27 C ATOM 684 O ASN A 47 4.630 3.103 -0.430 1.00 0.33 O ATOM 685 CB ASN A 47 7.539 2.575 0.396 1.00 0.30 C ATOM 686 CG ASN A 47 8.814 1.845 0.790 1.00 0.33 C ATOM 687 OD1 ASN A 47 9.621 1.481 -0.059 1.00 0.38 O ATOM 688 ND2 ASN A 47 9.026 1.660 2.089 1.00 0.34 N ATOM 0 H ASN A 47 5.885 1.198 -1.338 1.00 0.27 H new ATOM 0 HA ASN A 47 6.374 1.227 1.586 1.00 0.27 H new ATOM 0 HB2 ASN A 47 7.595 2.848 -0.658 1.00 0.30 H new ATOM 0 HB3 ASN A 47 7.469 3.503 0.963 1.00 0.30 H new ATOM 0 HD21 ASN A 47 9.881 1.203 2.406 1.00 0.34 H new ATOM 0 HD22 ASN A 47 8.334 1.975 2.769 1.00 0.34 H new ATOM 695 N VAL A 48 4.539 2.998 1.819 1.00 0.27 N ATOM 696 CA VAL A 48 3.390 3.871 1.963 1.00 0.31 C ATOM 697 C VAL A 48 3.805 4.906 2.997 1.00 0.35 C ATOM 698 O VAL A 48 4.360 4.537 4.035 1.00 0.37 O ATOM 699 CB VAL A 48 2.137 3.076 2.368 1.00 0.36 C ATOM 700 CG1 VAL A 48 0.897 3.980 2.371 1.00 2.27 C ATOM 701 CG2 VAL A 48 1.866 1.928 1.387 1.00 1.83 C ATOM 0 H VAL A 48 4.909 2.660 2.707 1.00 0.27 H new ATOM 0 HA VAL A 48 3.112 4.357 1.028 1.00 0.31 H new ATOM 0 HB VAL A 48 2.325 2.680 3.366 1.00 0.36 H new ATOM 0 HG11 VAL A 48 0.023 3.397 2.660 1.00 2.27 H new ATOM 0 HG12 VAL A 48 1.042 4.794 3.081 1.00 2.27 H new ATOM 0 HG13 VAL A 48 0.745 4.392 1.373 1.00 2.27 H new ATOM 0 HG21 VAL A 48 0.974 1.385 1.700 1.00 1.83 H new ATOM 0 HG22 VAL A 48 1.712 2.333 0.387 1.00 1.83 H new ATOM 0 HG23 VAL A 48 2.719 1.250 1.376 1.00 1.83 H new ATOM 711 N ILE A 49 3.598 6.182 2.667 1.00 0.36 N ATOM 712 CA ILE A 49 3.973 7.315 3.486 1.00 0.35 C ATOM 713 C ILE A 49 2.702 7.801 4.184 1.00 0.29 C ATOM 714 O ILE A 49 1.866 8.492 3.585 1.00 0.29 O ATOM 715 CB ILE A 49 4.619 8.430 2.643 1.00 0.40 C ATOM 716 CG1 ILE A 49 5.627 7.924 1.596 1.00 0.56 C ATOM 717 CG2 ILE A 49 5.260 9.471 3.573 1.00 0.41 C ATOM 718 CD1 ILE A 49 6.753 7.085 2.197 1.00 0.48 C ATOM 0 H ILE A 49 3.150 6.454 1.792 1.00 0.36 H new ATOM 0 HA ILE A 49 4.724 7.025 4.221 1.00 0.35 H new ATOM 0 HB ILE A 49 3.819 8.890 2.064 1.00 0.40 H new ATOM 0 HG12 ILE A 49 5.099 7.330 0.851 1.00 0.56 H new ATOM 0 HG13 ILE A 49 6.059 8.778 1.075 1.00 0.56 H new ATOM 0 HG21 ILE A 49 5.717 10.260 2.976 1.00 0.41 H new ATOM 0 HG22 ILE A 49 4.495 9.902 4.219 1.00 0.41 H new ATOM 0 HG23 ILE A 49 6.023 8.991 4.185 1.00 0.41 H new ATOM 0 HD11 ILE A 49 7.428 6.760 1.405 1.00 0.48 H new ATOM 0 HD12 ILE A 49 7.305 7.683 2.922 1.00 0.48 H new ATOM 0 HD13 ILE A 49 6.331 6.212 2.694 1.00 0.48 H new ATOM 730 N TYR A 50 2.521 7.406 5.441 1.00 0.30 N ATOM 731 CA TYR A 50 1.277 7.640 6.155 1.00 0.26 C ATOM 732 C TYR A 50 1.560 7.998 7.594 1.00 0.24 C ATOM 733 O TYR A 50 2.691 7.859 8.055 1.00 0.29 O ATOM 734 CB TYR A 50 0.358 6.418 6.069 1.00 0.30 C ATOM 735 CG TYR A 50 0.880 5.137 6.690 1.00 0.44 C ATOM 736 CD1 TYR A 50 0.665 4.871 8.052 1.00 1.56 C ATOM 737 CD2 TYR A 50 1.476 4.154 5.884 1.00 2.34 C ATOM 738 CE1 TYR A 50 1.059 3.639 8.595 1.00 1.45 C ATOM 739 CE2 TYR A 50 1.711 2.867 6.392 1.00 2.52 C ATOM 740 CZ TYR A 50 1.475 2.601 7.750 1.00 0.87 C ATOM 741 OH TYR A 50 1.665 1.349 8.254 1.00 1.09 O ATOM 0 H TYR A 50 3.230 6.918 5.988 1.00 0.30 H new ATOM 0 HA TYR A 50 0.763 8.478 5.684 1.00 0.26 H new ATOM 0 HB2 TYR A 50 -0.589 6.668 6.547 1.00 0.30 H new ATOM 0 HB3 TYR A 50 0.143 6.225 5.018 1.00 0.30 H new ATOM 0 HD1 TYR A 50 0.197 5.614 8.681 1.00 1.56 H new ATOM 0 HD2 TYR A 50 1.755 4.389 4.868 1.00 2.34 H new ATOM 0 HE1 TYR A 50 1.042 3.490 9.665 1.00 1.45 H new ATOM 0 HE2 TYR A 50 2.072 2.085 5.741 1.00 2.52 H new ATOM 0 HH TYR A 50 1.952 0.747 7.536 1.00 1.09 H new ATOM 751 N ASP A 51 0.520 8.455 8.280 1.00 0.26 N ATOM 752 CA ASP A 51 0.575 8.748 9.701 1.00 0.38 C ATOM 753 C ASP A 51 0.279 7.477 10.500 1.00 0.54 C ATOM 754 O ASP A 51 -0.882 7.059 10.532 1.00 0.60 O ATOM 755 CB ASP A 51 -0.456 9.825 10.038 1.00 0.55 C ATOM 756 CG ASP A 51 -0.520 10.074 11.538 1.00 1.98 C ATOM 757 OD1 ASP A 51 0.342 9.540 12.273 1.00 3.13 O ATOM 758 OD2 ASP A 51 -1.463 10.778 11.937 1.00 2.64 O ATOM 0 H ASP A 51 -0.392 8.633 7.859 1.00 0.26 H new ATOM 0 HA ASP A 51 1.570 9.108 9.960 1.00 0.38 H new ATOM 0 HB2 ASP A 51 -0.200 10.751 9.523 1.00 0.55 H new ATOM 0 HB3 ASP A 51 -1.437 9.519 9.675 1.00 0.55 H new ATOM 763 N PRO A 52 1.273 6.859 11.163 1.00 0.67 N ATOM 764 CA PRO A 52 1.057 5.641 11.921 1.00 0.83 C ATOM 765 C PRO A 52 0.301 5.887 13.233 1.00 0.96 C ATOM 766 O PRO A 52 0.128 4.942 14.002 1.00 1.11 O ATOM 767 CB PRO A 52 2.451 5.059 12.157 1.00 0.94 C ATOM 768 CG PRO A 52 3.296 6.327 12.303 1.00 0.87 C ATOM 769 CD PRO A 52 2.662 7.279 11.285 1.00 0.65 C ATOM 0 HA PRO A 52 0.420 4.946 11.374 1.00 0.83 H new ATOM 0 HB2 PRO A 52 2.489 4.437 13.051 1.00 0.94 H new ATOM 0 HB3 PRO A 52 2.783 4.440 11.323 1.00 0.94 H new ATOM 0 HG2 PRO A 52 3.250 6.729 13.315 1.00 0.87 H new ATOM 0 HG3 PRO A 52 4.347 6.140 12.082 1.00 0.87 H new ATOM 0 HD2 PRO A 52 2.730 8.314 11.622 1.00 0.65 H new ATOM 0 HD3 PRO A 52 3.174 7.222 10.324 1.00 0.65 H new ATOM 777 N ALA A 53 -0.152 7.116 13.516 1.00 0.97 N ATOM 778 CA ALA A 53 -1.114 7.351 14.575 1.00 1.14 C ATOM 779 C ALA A 53 -2.510 7.061 14.034 1.00 1.12 C ATOM 780 O ALA A 53 -3.355 6.567 14.778 1.00 1.39 O ATOM 781 CB ALA A 53 -1.016 8.801 15.058 1.00 1.20 C ATOM 0 H ALA A 53 0.140 7.958 13.019 1.00 0.97 H new ATOM 0 HA ALA A 53 -0.907 6.697 15.422 1.00 1.14 H new ATOM 0 HB1 ALA A 53 -1.742 8.969 15.853 1.00 1.20 H new ATOM 0 HB2 ALA A 53 -0.012 8.991 15.437 1.00 1.20 H new ATOM 0 HB3 ALA A 53 -1.224 9.476 14.228 1.00 1.20 H new ATOM 787 N GLU A 54 -2.745 7.390 12.754 1.00 0.85 N ATOM 788 CA GLU A 54 -4.078 7.431 12.178 1.00 0.77 C ATOM 789 C GLU A 54 -4.304 6.189 11.311 1.00 0.63 C ATOM 790 O GLU A 54 -5.183 5.376 11.596 1.00 0.76 O ATOM 791 CB GLU A 54 -4.282 8.754 11.420 1.00 0.76 C ATOM 792 CG GLU A 54 -5.747 9.225 11.445 1.00 0.85 C ATOM 793 CD GLU A 54 -6.064 10.095 12.664 1.00 2.35 C ATOM 794 OE1 GLU A 54 -5.898 9.588 13.793 1.00 4.04 O ATOM 795 OE2 GLU A 54 -6.493 11.246 12.436 1.00 2.65 O ATOM 0 H GLU A 54 -2.006 7.634 12.095 1.00 0.85 H new ATOM 0 HA GLU A 54 -4.834 7.406 12.963 1.00 0.77 H new ATOM 0 HB2 GLU A 54 -3.648 9.524 11.861 1.00 0.76 H new ATOM 0 HB3 GLU A 54 -3.961 8.630 10.386 1.00 0.76 H new ATOM 0 HG2 GLU A 54 -5.960 9.788 10.536 1.00 0.85 H new ATOM 0 HG3 GLU A 54 -6.405 8.356 11.443 1.00 0.85 H new ATOM 802 N THR A 55 -3.477 6.022 10.273 1.00 0.48 N ATOM 803 CA THR A 55 -3.205 4.731 9.657 1.00 0.57 C ATOM 804 C THR A 55 -2.166 3.905 10.400 1.00 0.69 C ATOM 805 O THR A 55 -1.812 4.178 11.542 1.00 0.73 O ATOM 806 CB THR A 55 -3.157 4.749 8.112 1.00 0.53 C ATOM 807 OG1 THR A 55 -2.833 6.038 7.664 1.00 0.54 O ATOM 808 CG2 THR A 55 -4.560 4.474 7.571 1.00 0.50 C ATOM 0 H THR A 55 -2.974 6.794 9.836 1.00 0.48 H new ATOM 0 HA THR A 55 -4.100 4.128 9.806 1.00 0.57 H new ATOM 0 HB THR A 55 -2.428 4.010 7.781 1.00 0.53 H new ATOM 0 HG1 THR A 55 -2.802 6.046 6.685 1.00 0.54 H new ATOM 0 HG21 THR A 55 -4.538 4.484 6.481 1.00 0.50 H new ATOM 0 HG22 THR A 55 -4.899 3.498 7.918 1.00 0.50 H new ATOM 0 HG23 THR A 55 -5.245 5.244 7.928 1.00 0.50 H new ATOM 816 N GLY A 56 -1.795 2.799 9.773 1.00 0.88 N ATOM 817 CA GLY A 56 -1.218 1.617 10.344 1.00 1.05 C ATOM 818 C GLY A 56 -1.499 0.565 9.278 1.00 1.49 C ATOM 819 O GLY A 56 -1.591 0.883 8.092 1.00 2.93 O ATOM 0 H GLY A 56 -1.905 2.710 8.763 1.00 0.88 H new ATOM 0 HA2 GLY A 56 -0.150 1.734 10.527 1.00 1.05 H new ATOM 0 HA3 GLY A 56 -1.678 1.361 11.298 1.00 1.05 H new ATOM 823 N THR A 57 -1.689 -0.674 9.697 1.00 0.68 N ATOM 824 CA THR A 57 -2.000 -1.794 8.841 1.00 0.78 C ATOM 825 C THR A 57 -3.477 -1.764 8.453 1.00 0.51 C ATOM 826 O THR A 57 -3.840 -2.128 7.338 1.00 0.52 O ATOM 827 CB THR A 57 -1.595 -3.051 9.611 1.00 1.01 C ATOM 828 OG1 THR A 57 -2.192 -3.006 10.895 1.00 1.07 O ATOM 829 CG2 THR A 57 -0.069 -3.056 9.792 1.00 1.18 C ATOM 0 H THR A 57 -1.627 -0.932 10.682 1.00 0.68 H new ATOM 0 HA THR A 57 -1.455 -1.764 7.897 1.00 0.78 H new ATOM 0 HB THR A 57 -1.915 -3.940 9.067 1.00 1.01 H new ATOM 0 HG1 THR A 57 -1.942 -3.808 11.400 1.00 1.07 H new ATOM 0 HG21 THR A 57 0.229 -3.949 10.341 1.00 1.18 H new ATOM 0 HG22 THR A 57 0.413 -3.052 8.815 1.00 1.18 H new ATOM 0 HG23 THR A 57 0.234 -2.170 10.350 1.00 1.18 H new ATOM 837 N ALA A 58 -4.325 -1.363 9.409 1.00 0.43 N ATOM 838 CA ALA A 58 -5.761 -1.576 9.383 1.00 0.45 C ATOM 839 C ALA A 58 -6.407 -1.170 8.071 1.00 0.44 C ATOM 840 O ALA A 58 -6.967 -1.986 7.335 1.00 0.45 O ATOM 841 CB ALA A 58 -6.406 -0.849 10.570 1.00 0.54 C ATOM 0 H ALA A 58 -4.012 -0.867 10.243 1.00 0.43 H new ATOM 0 HA ALA A 58 -5.934 -2.649 9.471 1.00 0.45 H new ATOM 0 HB1 ALA A 58 -7.484 -1.008 10.552 1.00 0.54 H new ATOM 0 HB2 ALA A 58 -5.997 -1.240 11.502 1.00 0.54 H new ATOM 0 HB3 ALA A 58 -6.195 0.218 10.501 1.00 0.54 H new ATOM 847 N ALA A 59 -6.294 0.119 7.786 1.00 0.44 N ATOM 848 CA ALA A 59 -7.056 0.702 6.689 1.00 0.42 C ATOM 849 C ALA A 59 -6.472 0.214 5.364 1.00 0.38 C ATOM 850 O ALA A 59 -7.180 0.012 4.378 1.00 0.36 O ATOM 851 CB ALA A 59 -7.079 2.224 6.820 1.00 0.47 C ATOM 0 H ALA A 59 -5.693 0.772 8.289 1.00 0.44 H new ATOM 0 HA ALA A 59 -8.096 0.378 6.723 1.00 0.42 H new ATOM 0 HB1 ALA A 59 -7.650 2.652 5.996 1.00 0.47 H new ATOM 0 HB2 ALA A 59 -7.544 2.501 7.766 1.00 0.47 H new ATOM 0 HB3 ALA A 59 -6.059 2.607 6.791 1.00 0.47 H new ATOM 857 N ILE A 60 -5.156 -0.005 5.376 1.00 0.45 N ATOM 858 CA ILE A 60 -4.418 -0.560 4.267 1.00 0.47 C ATOM 859 C ILE A 60 -4.950 -1.942 3.933 1.00 0.47 C ATOM 860 O ILE A 60 -5.338 -2.159 2.793 1.00 0.50 O ATOM 861 CB ILE A 60 -2.907 -0.503 4.563 1.00 0.51 C ATOM 862 CG1 ILE A 60 -2.394 0.870 4.120 1.00 0.50 C ATOM 863 CG2 ILE A 60 -2.109 -1.573 3.801 1.00 0.62 C ATOM 864 CD1 ILE A 60 -2.918 2.054 4.951 1.00 1.14 C ATOM 0 H ILE A 60 -4.570 0.208 6.183 1.00 0.45 H new ATOM 0 HA ILE A 60 -4.563 0.035 3.365 1.00 0.47 H new ATOM 0 HB ILE A 60 -2.769 -0.681 5.629 1.00 0.51 H new ATOM 0 HG12 ILE A 60 -1.305 0.867 4.165 1.00 0.50 H new ATOM 0 HG13 ILE A 60 -2.670 1.026 3.077 1.00 0.50 H new ATOM 0 HG21 ILE A 60 -1.051 -1.484 4.049 1.00 0.62 H new ATOM 0 HG22 ILE A 60 -2.466 -2.563 4.084 1.00 0.62 H new ATOM 0 HG23 ILE A 60 -2.243 -1.432 2.729 1.00 0.62 H new ATOM 0 HD11 ILE A 60 -2.501 2.983 4.563 1.00 1.14 H new ATOM 0 HD12 ILE A 60 -4.006 2.090 4.887 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -2.619 1.928 5.992 1.00 1.14 H new ATOM 876 N GLN A 61 -4.995 -2.869 4.889 1.00 0.46 N ATOM 877 CA GLN A 61 -5.476 -4.217 4.617 1.00 0.49 C ATOM 878 C GLN A 61 -6.919 -4.167 4.095 1.00 0.46 C ATOM 879 O GLN A 61 -7.238 -4.800 3.087 1.00 0.50 O ATOM 880 CB GLN A 61 -5.328 -5.107 5.860 1.00 0.54 C ATOM 881 CG GLN A 61 -4.445 -6.352 5.643 1.00 0.62 C ATOM 882 CD GLN A 61 -3.226 -6.372 6.563 1.00 0.85 C ATOM 883 OE1 GLN A 61 -3.047 -7.293 7.350 1.00 1.33 O ATOM 884 NE2 GLN A 61 -2.371 -5.356 6.476 1.00 0.94 N ATOM 0 H GLN A 61 -4.705 -2.710 5.854 1.00 0.46 H new ATOM 0 HA GLN A 61 -4.864 -4.668 3.835 1.00 0.49 H new ATOM 0 HB2 GLN A 61 -4.906 -4.513 6.671 1.00 0.54 H new ATOM 0 HB3 GLN A 61 -6.318 -5.429 6.183 1.00 0.54 H new ATOM 0 HG2 GLN A 61 -5.040 -7.249 5.814 1.00 0.62 H new ATOM 0 HG3 GLN A 61 -4.113 -6.382 4.605 1.00 0.62 H new ATOM 0 HE21 GLN A 61 -2.542 -4.601 5.812 1.00 0.94 H new ATOM 0 HE22 GLN A 61 -1.544 -5.333 7.073 1.00 0.94 H new ATOM 893 N GLU A 62 -7.774 -3.375 4.754 1.00 0.41 N ATOM 894 CA GLU A 62 -9.136 -3.137 4.295 1.00 0.40 C ATOM 895 C GLU A 62 -9.176 -2.765 2.809 1.00 0.39 C ATOM 896 O GLU A 62 -9.861 -3.402 2.004 1.00 0.45 O ATOM 897 CB GLU A 62 -9.776 -2.039 5.159 1.00 0.38 C ATOM 898 CG GLU A 62 -10.495 -2.620 6.379 1.00 0.53 C ATOM 899 CD GLU A 62 -11.404 -1.568 6.993 1.00 1.98 C ATOM 900 OE1 GLU A 62 -12.481 -1.358 6.393 1.00 2.63 O ATOM 901 OE2 GLU A 62 -10.994 -0.981 8.017 1.00 3.39 O ATOM 0 H GLU A 62 -7.536 -2.886 5.617 1.00 0.41 H new ATOM 0 HA GLU A 62 -9.708 -4.059 4.402 1.00 0.40 H new ATOM 0 HB2 GLU A 62 -9.006 -1.342 5.489 1.00 0.38 H new ATOM 0 HB3 GLU A 62 -10.484 -1.470 4.557 1.00 0.38 H new ATOM 0 HG2 GLU A 62 -11.080 -3.492 6.086 1.00 0.53 H new ATOM 0 HG3 GLU A 62 -9.766 -2.958 7.115 1.00 0.53 H new ATOM 908 N LYS A 63 -8.452 -1.713 2.438 1.00 0.36 N ATOM 909 CA LYS A 63 -8.423 -1.233 1.080 1.00 0.37 C ATOM 910 C LYS A 63 -7.802 -2.244 0.131 1.00 0.45 C ATOM 911 O LYS A 63 -8.312 -2.414 -0.971 1.00 0.49 O ATOM 912 CB LYS A 63 -7.634 0.067 1.065 1.00 0.38 C ATOM 913 CG LYS A 63 -8.522 1.251 1.437 1.00 0.42 C ATOM 914 CD LYS A 63 -9.520 1.702 0.357 1.00 0.58 C ATOM 915 CE LYS A 63 -8.813 2.334 -0.856 1.00 2.61 C ATOM 916 NZ LYS A 63 -9.283 1.760 -2.131 1.00 3.40 N ATOM 0 H LYS A 63 -7.871 -1.175 3.081 1.00 0.36 H new ATOM 0 HA LYS A 63 -9.444 -1.071 0.733 1.00 0.37 H new ATOM 0 HB2 LYS A 63 -6.801 -0.001 1.765 1.00 0.38 H new ATOM 0 HB3 LYS A 63 -7.207 0.226 0.075 1.00 0.38 H new ATOM 0 HG2 LYS A 63 -9.081 0.994 2.337 1.00 0.42 H new ATOM 0 HG3 LYS A 63 -7.882 2.096 1.690 1.00 0.42 H new ATOM 0 HD2 LYS A 63 -10.109 0.846 0.028 1.00 0.58 H new ATOM 0 HD3 LYS A 63 -10.217 2.422 0.786 1.00 0.58 H new ATOM 0 HE2 LYS A 63 -8.987 3.410 -0.857 1.00 2.61 H new ATOM 0 HE3 LYS A 63 -7.737 2.185 -0.766 1.00 2.61 H new ATOM 0 HZ1 LYS A 63 -8.680 2.099 -2.908 1.00 3.40 H new ATOM 0 HZ2 LYS A 63 -9.235 0.722 -2.083 1.00 3.40 H new ATOM 0 HZ3 LYS A 63 -10.266 2.054 -2.303 1.00 3.40 H new ATOM 930 N ILE A 64 -6.701 -2.874 0.534 1.00 0.46 N ATOM 931 CA ILE A 64 -5.966 -3.858 -0.227 1.00 0.49 C ATOM 932 C ILE A 64 -6.969 -4.910 -0.728 1.00 0.52 C ATOM 933 O ILE A 64 -7.072 -5.171 -1.928 1.00 0.56 O ATOM 934 CB ILE A 64 -4.885 -4.427 0.701 1.00 0.51 C ATOM 935 CG1 ILE A 64 -3.611 -3.575 0.628 1.00 0.52 C ATOM 936 CG2 ILE A 64 -4.593 -5.900 0.474 1.00 0.53 C ATOM 937 CD1 ILE A 64 -2.768 -3.877 -0.609 1.00 0.51 C ATOM 0 H ILE A 64 -6.284 -2.697 1.448 1.00 0.46 H new ATOM 0 HA ILE A 64 -5.468 -3.450 -1.106 1.00 0.49 H new ATOM 0 HB ILE A 64 -5.286 -4.372 1.713 1.00 0.51 H new ATOM 0 HG12 ILE A 64 -3.884 -2.520 0.627 1.00 0.52 H new ATOM 0 HG13 ILE A 64 -3.012 -3.748 1.522 1.00 0.52 H new ATOM 0 HG21 ILE A 64 -3.819 -6.228 1.167 1.00 0.53 H new ATOM 0 HG22 ILE A 64 -5.500 -6.481 0.641 1.00 0.53 H new ATOM 0 HG23 ILE A 64 -4.250 -6.049 -0.550 1.00 0.53 H new ATOM 0 HD11 ILE A 64 -1.880 -3.245 -0.607 1.00 0.51 H new ATOM 0 HD12 ILE A 64 -2.468 -4.925 -0.598 1.00 0.51 H new ATOM 0 HD13 ILE A 64 -3.354 -3.677 -1.506 1.00 0.51 H new ATOM 949 N GLU A 65 -7.751 -5.458 0.212 1.00 0.50 N ATOM 950 CA GLU A 65 -8.827 -6.394 -0.076 1.00 0.55 C ATOM 951 C GLU A 65 -9.823 -5.784 -1.063 1.00 0.55 C ATOM 952 O GLU A 65 -10.076 -6.358 -2.118 1.00 0.61 O ATOM 953 CB GLU A 65 -9.522 -6.785 1.235 1.00 0.55 C ATOM 954 CG GLU A 65 -8.707 -7.821 2.020 1.00 0.62 C ATOM 955 CD GLU A 65 -9.185 -9.233 1.711 1.00 0.99 C ATOM 956 OE1 GLU A 65 -10.233 -9.600 2.287 1.00 2.35 O ATOM 957 OE2 GLU A 65 -8.514 -9.899 0.896 1.00 1.30 O ATOM 0 H GLU A 65 -7.646 -5.255 1.206 1.00 0.50 H new ATOM 0 HA GLU A 65 -8.412 -7.290 -0.539 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -9.669 -5.896 1.849 1.00 0.55 H new ATOM 0 HB3 GLU A 65 -10.511 -7.189 1.017 1.00 0.55 H new ATOM 0 HG2 GLU A 65 -7.651 -7.726 1.767 1.00 0.62 H new ATOM 0 HG3 GLU A 65 -8.798 -7.627 3.089 1.00 0.62 H new ATOM 964 N LYS A 66 -10.400 -4.620 -0.739 1.00 0.50 N ATOM 965 CA LYS A 66 -11.429 -4.012 -1.587 1.00 0.54 C ATOM 966 C LYS A 66 -10.926 -3.735 -3.012 1.00 0.54 C ATOM 967 O LYS A 66 -11.688 -3.836 -3.969 1.00 0.59 O ATOM 968 CB LYS A 66 -11.995 -2.738 -0.935 1.00 0.55 C ATOM 969 CG LYS A 66 -13.240 -3.022 -0.082 1.00 0.59 C ATOM 970 CD LYS A 66 -12.918 -3.795 1.203 1.00 2.26 C ATOM 971 CE LYS A 66 -14.205 -4.270 1.890 1.00 2.91 C ATOM 972 NZ LYS A 66 -13.922 -4.927 3.185 1.00 4.80 N ATOM 0 H LYS A 66 -10.173 -4.085 0.099 1.00 0.50 H new ATOM 0 HA LYS A 66 -12.238 -4.737 -1.678 1.00 0.54 H new ATOM 0 HB2 LYS A 66 -11.227 -2.280 -0.311 1.00 0.55 H new ATOM 0 HB3 LYS A 66 -12.247 -2.016 -1.712 1.00 0.55 H new ATOM 0 HG2 LYS A 66 -13.719 -2.078 0.178 1.00 0.59 H new ATOM 0 HG3 LYS A 66 -13.957 -3.592 -0.673 1.00 0.59 H new ATOM 0 HD2 LYS A 66 -12.288 -4.653 0.968 1.00 2.26 H new ATOM 0 HD3 LYS A 66 -12.351 -3.159 1.883 1.00 2.26 H new ATOM 0 HE2 LYS A 66 -14.867 -3.419 2.050 1.00 2.91 H new ATOM 0 HE3 LYS A 66 -14.731 -4.965 1.236 1.00 2.91 H new ATOM 0 HZ1 LYS A 66 -14.815 -5.235 3.621 1.00 4.80 H new ATOM 0 HZ2 LYS A 66 -13.310 -5.753 3.029 1.00 4.80 H new ATOM 0 HZ3 LYS A 66 -13.442 -4.255 3.817 1.00 4.80 H new ATOM 986 N LEU A 67 -9.651 -3.377 -3.153 1.00 0.51 N ATOM 987 CA LEU A 67 -8.987 -3.165 -4.432 1.00 0.54 C ATOM 988 C LEU A 67 -8.769 -4.480 -5.190 1.00 0.58 C ATOM 989 O LEU A 67 -8.491 -4.449 -6.387 1.00 0.60 O ATOM 990 CB LEU A 67 -7.674 -2.404 -4.204 1.00 0.54 C ATOM 991 CG LEU A 67 -7.939 -0.913 -3.930 1.00 0.60 C ATOM 992 CD1 LEU A 67 -6.834 -0.309 -3.057 1.00 0.60 C ATOM 993 CD2 LEU A 67 -8.043 -0.134 -5.249 1.00 0.70 C ATOM 0 H LEU A 67 -9.035 -3.223 -2.355 1.00 0.51 H new ATOM 0 HA LEU A 67 -9.634 -2.560 -5.067 1.00 0.54 H new ATOM 0 HB2 LEU A 67 -7.138 -2.842 -3.362 1.00 0.54 H new ATOM 0 HB3 LEU A 67 -7.033 -2.508 -5.079 1.00 0.54 H new ATOM 0 HG LEU A 67 -8.885 -0.836 -3.394 1.00 0.60 H new ATOM 0 HD11 LEU A 67 -7.046 0.745 -2.879 1.00 0.60 H new ATOM 0 HD12 LEU A 67 -6.794 -0.837 -2.104 1.00 0.60 H new ATOM 0 HD13 LEU A 67 -5.875 -0.405 -3.566 1.00 0.60 H new ATOM 0 HD21 LEU A 67 -8.231 0.918 -5.036 1.00 0.70 H new ATOM 0 HD22 LEU A 67 -7.110 -0.231 -5.804 1.00 0.70 H new ATOM 0 HD23 LEU A 67 -8.863 -0.535 -5.845 1.00 0.70 H new ATOM 1005 N GLY A 68 -8.869 -5.624 -4.511 1.00 0.60 N ATOM 1006 CA GLY A 68 -8.704 -6.938 -5.106 1.00 0.61 C ATOM 1007 C GLY A 68 -7.232 -7.327 -5.127 1.00 0.55 C ATOM 1008 O GLY A 68 -6.748 -7.867 -6.120 1.00 0.57 O ATOM 0 H GLY A 68 -9.071 -5.656 -3.512 1.00 0.60 H new ATOM 0 HA2 GLY A 68 -9.274 -7.675 -4.540 1.00 0.61 H new ATOM 0 HA3 GLY A 68 -9.102 -6.938 -6.121 1.00 0.61 H new ATOM 1012 N TYR A 69 -6.518 -7.048 -4.032 1.00 0.51 N ATOM 1013 CA TYR A 69 -5.104 -7.339 -3.881 1.00 0.49 C ATOM 1014 C TYR A 69 -4.857 -7.959 -2.512 1.00 0.44 C ATOM 1015 O TYR A 69 -5.772 -8.038 -1.694 1.00 0.46 O ATOM 1016 CB TYR A 69 -4.319 -6.035 -4.043 1.00 0.53 C ATOM 1017 CG TYR A 69 -3.420 -6.075 -5.251 1.00 0.52 C ATOM 1018 CD1 TYR A 69 -3.960 -5.872 -6.532 1.00 1.99 C ATOM 1019 CD2 TYR A 69 -2.058 -6.379 -5.099 1.00 1.52 C ATOM 1020 CE1 TYR A 69 -3.116 -5.869 -7.652 1.00 1.97 C ATOM 1021 CE2 TYR A 69 -1.214 -6.347 -6.216 1.00 1.56 C ATOM 1022 CZ TYR A 69 -1.744 -6.124 -7.499 1.00 0.60 C ATOM 1023 OH TYR A 69 -0.923 -6.098 -8.586 1.00 0.70 O ATOM 0 H TYR A 69 -6.925 -6.602 -3.210 1.00 0.51 H new ATOM 0 HA TYR A 69 -4.775 -8.049 -4.639 1.00 0.49 H new ATOM 0 HB2 TYR A 69 -5.014 -5.200 -4.134 1.00 0.53 H new ATOM 0 HB3 TYR A 69 -3.721 -5.856 -3.149 1.00 0.53 H new ATOM 0 HD1 TYR A 69 -5.022 -5.719 -6.654 1.00 1.99 H new ATOM 0 HD2 TYR A 69 -1.664 -6.636 -4.127 1.00 1.52 H new ATOM 0 HE1 TYR A 69 -3.522 -5.670 -8.633 1.00 1.97 H new ATOM 0 HE2 TYR A 69 -0.151 -6.494 -6.091 1.00 1.56 H new ATOM 0 HH TYR A 69 -1.275 -5.466 -9.247 1.00 0.70 H new ATOM 1033 N HIS A 70 -3.613 -8.365 -2.241 1.00 0.42 N ATOM 1034 CA HIS A 70 -3.211 -8.785 -0.911 1.00 0.41 C ATOM 1035 C HIS A 70 -1.767 -8.349 -0.661 1.00 0.42 C ATOM 1036 O HIS A 70 -1.025 -8.096 -1.610 1.00 0.77 O ATOM 1037 CB HIS A 70 -3.456 -10.290 -0.737 1.00 0.50 C ATOM 1038 CG HIS A 70 -3.742 -10.706 0.685 1.00 0.80 C ATOM 1039 ND1 HIS A 70 -4.392 -9.952 1.642 1.00 2.11 N ATOM 1040 CD2 HIS A 70 -3.600 -11.970 1.191 1.00 1.44 C ATOM 1041 CE1 HIS A 70 -4.594 -10.739 2.711 1.00 1.99 C ATOM 1042 NE2 HIS A 70 -4.125 -11.978 2.486 1.00 1.37 N ATOM 0 H HIS A 70 -2.868 -8.409 -2.936 1.00 0.42 H new ATOM 0 HA HIS A 70 -3.818 -8.300 -0.147 1.00 0.41 H new ATOM 0 HB2 HIS A 70 -4.295 -10.586 -1.367 1.00 0.50 H new ATOM 0 HB3 HIS A 70 -2.582 -10.834 -1.095 1.00 0.50 H new ATOM 0 HD2 HIS A 70 -3.160 -12.813 0.679 1.00 1.44 H new ATOM 0 HE1 HIS A 70 -5.069 -10.420 3.627 1.00 1.99 H new ATOM 0 HE2 HIS A 70 -4.148 -12.767 3.132 1.00 1.37 H new ATOM 1050 N VAL A 71 -1.378 -8.217 0.610 1.00 0.51 N ATOM 1051 CA VAL A 71 -0.085 -7.687 1.016 1.00 0.47 C ATOM 1052 C VAL A 71 0.430 -8.547 2.167 1.00 0.46 C ATOM 1053 O VAL A 71 -0.354 -8.950 3.027 1.00 0.64 O ATOM 1054 CB VAL A 71 -0.225 -6.185 1.340 1.00 0.65 C ATOM 1055 CG1 VAL A 71 -1.048 -5.922 2.608 1.00 1.52 C ATOM 1056 CG2 VAL A 71 1.104 -5.440 1.465 1.00 1.17 C ATOM 0 H VAL A 71 -1.969 -8.483 1.397 1.00 0.51 H new ATOM 0 HA VAL A 71 0.659 -7.740 0.222 1.00 0.47 H new ATOM 0 HB VAL A 71 -0.753 -5.793 0.471 1.00 0.65 H new ATOM 0 HG11 VAL A 71 -1.112 -4.848 2.784 1.00 1.52 H new ATOM 0 HG12 VAL A 71 -2.051 -6.329 2.482 1.00 1.52 H new ATOM 0 HG13 VAL A 71 -0.567 -6.402 3.460 1.00 1.52 H new ATOM 0 HG21 VAL A 71 0.913 -4.391 1.694 1.00 1.17 H new ATOM 0 HG22 VAL A 71 1.696 -5.884 2.265 1.00 1.17 H new ATOM 0 HG23 VAL A 71 1.652 -5.513 0.525 1.00 1.17 H new ATOM 1066 N VAL A 72 1.720 -8.881 2.141 1.00 0.43 N ATOM 1067 CA VAL A 72 2.380 -9.757 3.091 1.00 0.45 C ATOM 1068 C VAL A 72 3.199 -8.912 4.059 1.00 0.56 C ATOM 1069 O VAL A 72 3.887 -7.963 3.679 1.00 0.57 O ATOM 1070 CB VAL A 72 3.250 -10.798 2.384 1.00 0.45 C ATOM 1071 CG1 VAL A 72 3.831 -11.824 3.366 1.00 0.57 C ATOM 1072 CG2 VAL A 72 2.464 -11.530 1.295 1.00 0.53 C ATOM 0 H VAL A 72 2.355 -8.530 1.424 1.00 0.43 H new ATOM 0 HA VAL A 72 1.625 -10.311 3.649 1.00 0.45 H new ATOM 0 HB VAL A 72 4.075 -10.251 1.927 1.00 0.45 H new ATOM 0 HG11 VAL A 72 4.442 -12.544 2.821 1.00 0.57 H new ATOM 0 HG12 VAL A 72 4.447 -11.312 4.105 1.00 0.57 H new ATOM 0 HG13 VAL A 72 3.018 -12.346 3.870 1.00 0.57 H new ATOM 0 HG21 VAL A 72 3.109 -12.263 0.811 1.00 0.53 H new ATOM 0 HG22 VAL A 72 1.609 -12.038 1.742 1.00 0.53 H new ATOM 0 HG23 VAL A 72 2.112 -10.811 0.555 1.00 0.53 H new ATOM 1082 N ILE A 73 3.115 -9.290 5.327 1.00 0.69 N ATOM 1083 CA ILE A 73 3.740 -8.601 6.436 1.00 0.85 C ATOM 1084 C ILE A 73 4.937 -9.431 6.892 1.00 0.90 C ATOM 1085 O ILE A 73 4.868 -10.137 7.891 1.00 0.92 O ATOM 1086 CB ILE A 73 2.706 -8.362 7.550 1.00 0.94 C ATOM 1087 CG1 ILE A 73 1.475 -7.594 7.035 1.00 1.08 C ATOM 1088 CG2 ILE A 73 3.338 -7.617 8.737 1.00 1.12 C ATOM 1089 CD1 ILE A 73 1.766 -6.212 6.437 1.00 1.05 C ATOM 0 H ILE A 73 2.590 -10.115 5.617 1.00 0.69 H new ATOM 0 HA ILE A 73 4.104 -7.616 6.144 1.00 0.85 H new ATOM 0 HB ILE A 73 2.370 -9.342 7.889 1.00 0.94 H new ATOM 0 HG12 ILE A 73 0.979 -8.202 6.278 1.00 1.08 H new ATOM 0 HG13 ILE A 73 0.772 -7.474 7.859 1.00 1.08 H new ATOM 0 HG21 ILE A 73 2.586 -7.461 9.510 1.00 1.12 H new ATOM 0 HG22 ILE A 73 4.158 -8.209 9.143 1.00 1.12 H new ATOM 0 HG23 ILE A 73 3.718 -6.653 8.400 1.00 1.12 H new ATOM 0 HD11 ILE A 73 0.834 -5.756 6.105 1.00 1.05 H new ATOM 0 HD12 ILE A 73 2.231 -5.579 7.193 1.00 1.05 H new ATOM 0 HD13 ILE A 73 2.441 -6.318 5.588 1.00 1.05 H new ATOM 1101 N GLU A 74 6.057 -9.313 6.179 1.00 0.99 N ATOM 1102 CA GLU A 74 7.332 -9.849 6.592 1.00 1.20 C ATOM 1103 C GLU A 74 8.015 -9.014 7.686 1.00 1.52 C ATOM 1104 O GLU A 74 9.116 -9.321 8.132 1.00 1.76 O ATOM 1105 CB GLU A 74 8.222 -10.026 5.364 1.00 1.30 C ATOM 1106 CG GLU A 74 7.809 -11.242 4.516 1.00 1.24 C ATOM 1107 CD GLU A 74 8.956 -11.757 3.650 1.00 1.72 C ATOM 1108 OE1 GLU A 74 10.022 -12.044 4.237 1.00 2.61 O ATOM 1109 OE2 GLU A 74 8.740 -11.866 2.424 1.00 2.73 O ATOM 0 H GLU A 74 6.093 -8.830 5.281 1.00 0.99 H new ATOM 0 HA GLU A 74 7.157 -10.821 7.052 1.00 1.20 H new ATOM 0 HB2 GLU A 74 8.176 -9.126 4.751 1.00 1.30 H new ATOM 0 HB3 GLU A 74 9.258 -10.142 5.682 1.00 1.30 H new ATOM 0 HG2 GLU A 74 7.465 -12.041 5.173 1.00 1.24 H new ATOM 0 HG3 GLU A 74 6.968 -10.969 3.878 1.00 1.24 H new ATOM 1116 N GLY A 75 7.359 -7.933 8.095 1.00 1.62 N ATOM 1117 CA GLY A 75 7.895 -6.912 8.978 1.00 1.97 C ATOM 1118 C GLY A 75 7.582 -7.125 10.455 1.00 2.88 C ATOM 1119 O GLY A 75 8.247 -6.537 11.308 1.00 3.60 O ATOM 0 H GLY A 75 6.400 -7.740 7.806 1.00 1.62 H new ATOM 0 HA2 GLY A 75 8.977 -6.871 8.851 1.00 1.97 H new ATOM 0 HA3 GLY A 75 7.502 -5.942 8.672 1.00 1.97 H new ATOM 1123 N ARG A 76 6.531 -7.889 10.759 1.00 3.71 N ATOM 1124 CA ARG A 76 5.975 -7.995 12.098 1.00 5.37 C ATOM 1125 C ARG A 76 5.601 -9.441 12.400 1.00 6.37 C ATOM 1126 O ARG A 76 5.120 -10.100 11.455 1.00 6.79 O ATOM 1127 CB ARG A 76 4.752 -7.071 12.226 1.00 6.49 C ATOM 1128 CG ARG A 76 4.701 -6.261 13.529 1.00 7.94 C ATOM 1129 CD ARG A 76 4.672 -7.113 14.806 1.00 8.87 C ATOM 1130 NE ARG A 76 6.030 -7.392 15.302 1.00 9.07 N ATOM 1131 CZ ARG A 76 6.336 -7.814 16.536 1.00 10.04 C ATOM 1132 NH1 ARG A 76 5.359 -8.136 17.391 1.00 10.94 N ATOM 1133 NH2 ARG A 76 7.617 -7.884 16.919 1.00 10.48 N ATOM 1134 OXT ARG A 76 5.779 -9.837 13.574 1.00 7.29 O ATOM 0 H ARG A 76 6.040 -8.457 10.069 1.00 3.71 H new ATOM 0 HA ARG A 76 6.724 -7.682 12.826 1.00 5.37 H new ATOM 0 HB2 ARG A 76 4.744 -6.380 11.383 1.00 6.49 H new ATOM 0 HB3 ARG A 76 3.847 -7.674 12.152 1.00 6.49 H new ATOM 0 HG2 ARG A 76 5.568 -5.602 13.567 1.00 7.94 H new ATOM 0 HG3 ARG A 76 3.817 -5.624 13.512 1.00 7.94 H new ATOM 0 HD2 ARG A 76 4.102 -6.595 15.577 1.00 8.87 H new ATOM 0 HD3 ARG A 76 4.157 -8.053 14.606 1.00 8.87 H new ATOM 0 HE ARG A 76 6.803 -7.252 14.651 1.00 9.07 H new ATOM 0 HH11 ARG A 76 4.384 -8.060 17.103 1.00 10.94 H new ATOM 0 HH12 ARG A 76 5.589 -8.458 18.331 1.00 10.94 H new ATOM 0 HH21 ARG A 76 8.358 -7.616 16.272 1.00 10.48 H new ATOM 0 HH22 ARG A 76 7.852 -8.205 17.858 1.00 10.48 H new TER 1148 ARG A 76 HETATM 1149 CU CU A 77 -1.801 -4.390 -14.598 1.00 1.94 CU