USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 837 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 Single : A 3 LYS NZ :NH3+ -160:sc= -0.0131 (180deg=-0.381) USER MOD Single : A 4 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.32) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 8 LYS NZ :NH3+ 158:sc= -1.21 (180deg=-1.9) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.159 K(o=-0.16,f=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0758) USER MOD Single : A 28 SER OG : rot 180:sc= -1.22 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -169:sc=-0.00176 (180deg=-0.159) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -126:sc= -1.47 (180deg=-3!) USER MOD Single : A 43 HIS : no HD1:sc= -0.352 X(o=-0.35,f=-0.035) USER MOD Single : A 44 SER OG : rot 97:sc= 0.998 USER MOD Single : A 46 SER OG : rot -34:sc= 0.169 USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= -0.268 (180deg=-1.26!) USER MOD Single : A 49 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.09! C(o=-2.1!,f=-5.4!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -28:sc= 0.162 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.599 USER MOD Single : A 76 THR OG1 : rot 94:sc= 0.542 USER MOD Single : A 78 GLN : amide:sc= -1.45 X(o=-1.4,f=-1.5) USER MOD Single : A 81 LYS NZ :NH3+ -127:sc= -0.367 (180deg=-2.38!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -3.47! K(o=-3.5!,f=-0.68) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -3.12! K(o=-3.1!,f=-1.7) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -1.89! K(o=-1.9!,f=-0.013) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -2.36! K(o=-2.4!,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.465 -2.195 8.671 1.00 0.20 N ATOM 37 CA LYS A 3 -1.533 -3.285 9.110 1.00 0.18 C ATOM 38 C LYS A 3 -0.135 -2.957 8.588 1.00 0.15 C ATOM 39 O LYS A 3 0.050 -2.704 7.415 1.00 0.16 O ATOM 40 CB LYS A 3 -1.997 -4.619 8.501 1.00 0.19 C ATOM 41 CG LYS A 3 -1.132 -5.791 9.008 1.00 0.20 C ATOM 42 CD LYS A 3 -1.608 -6.240 10.393 1.00 0.81 C ATOM 43 CE LYS A 3 -0.824 -7.482 10.829 1.00 1.03 C ATOM 44 NZ LYS A 3 -1.216 -8.646 9.984 1.00 1.67 N ATOM 0 HA LYS A 3 -1.524 -3.363 10.197 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -3.041 -4.796 8.758 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.941 -4.565 7.414 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.190 -6.624 8.308 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.086 -5.487 9.056 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.466 -5.436 11.115 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.675 -6.462 10.368 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.247 -7.299 10.738 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -1.022 -7.699 11.879 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.963 -9.529 10.471 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -2.242 -8.624 9.818 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -0.717 -8.597 9.073 1.00 1.67 H new ATOM 58 N GLN A 4 0.855 -2.966 9.444 1.00 0.15 N ATOM 59 CA GLN A 4 2.242 -2.657 8.987 1.00 0.14 C ATOM 60 C GLN A 4 2.993 -3.964 8.728 1.00 0.12 C ATOM 61 O GLN A 4 3.098 -4.816 9.590 1.00 0.13 O ATOM 62 CB GLN A 4 2.972 -1.853 10.071 1.00 0.16 C ATOM 63 CG GLN A 4 4.389 -1.518 9.591 1.00 0.17 C ATOM 64 CD GLN A 4 5.102 -0.666 10.641 1.00 0.22 C ATOM 65 OE1 GLN A 4 5.085 -0.983 11.813 1.00 0.29 O ATOM 66 NE2 GLN A 4 5.739 0.412 10.265 1.00 0.31 N ATOM 0 H GLN A 4 0.762 -3.174 10.438 1.00 0.15 H new ATOM 0 HA GLN A 4 2.201 -2.072 8.069 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.424 -0.936 10.290 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.016 -2.427 10.997 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.949 -2.436 9.412 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.345 -0.982 8.643 1.00 0.17 H new ATOM 0 HE21 GLN A 4 5.754 0.679 9.281 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.222 0.986 10.956 1.00 0.31 H new ATOM 75 N ILE A 5 3.531 -4.117 7.549 1.00 0.10 N ATOM 76 CA ILE A 5 4.297 -5.352 7.213 1.00 0.10 C ATOM 77 C ILE A 5 5.789 -5.027 7.250 1.00 0.10 C ATOM 78 O ILE A 5 6.277 -4.237 6.467 1.00 0.11 O ATOM 79 CB ILE A 5 3.916 -5.789 5.804 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.387 -5.835 5.668 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.500 -7.167 5.517 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.779 -6.712 6.772 1.00 0.19 C ATOM 0 H ILE A 5 3.472 -3.432 6.796 1.00 0.10 H new ATOM 0 HA ILE A 5 4.072 -6.146 7.925 1.00 0.10 H new ATOM 0 HB ILE A 5 4.317 -5.073 5.087 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.979 -4.826 5.730 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.114 -6.230 4.689 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.225 -7.476 4.508 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.586 -7.127 5.601 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.107 -7.886 6.236 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.695 -6.735 6.663 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.173 -7.725 6.691 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.037 -6.300 7.748 1.00 0.19 H new ATOM 94 N GLU A 6 6.522 -5.627 8.149 1.00 0.11 N ATOM 95 CA GLU A 6 7.986 -5.344 8.230 1.00 0.13 C ATOM 96 C GLU A 6 8.767 -6.452 7.523 1.00 0.12 C ATOM 97 O GLU A 6 9.981 -6.419 7.461 1.00 0.13 O ATOM 98 CB GLU A 6 8.406 -5.304 9.697 1.00 0.15 C ATOM 99 CG GLU A 6 7.635 -4.204 10.430 1.00 0.17 C ATOM 100 CD GLU A 6 8.134 -2.831 9.976 1.00 1.45 C ATOM 101 OE1 GLU A 6 9.275 -2.514 10.266 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.368 -2.123 9.345 1.00 2.25 O ATOM 0 H GLU A 6 6.172 -6.300 8.831 1.00 0.11 H new ATOM 0 HA GLU A 6 8.195 -4.387 7.751 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.214 -6.269 10.166 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.478 -5.121 9.773 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.568 -4.298 10.228 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.766 -4.311 11.507 1.00 0.17 H new ATOM 109 N SER A 7 8.097 -7.435 6.981 1.00 0.12 N ATOM 110 CA SER A 7 8.836 -8.533 6.283 1.00 0.13 C ATOM 111 C SER A 7 7.973 -9.173 5.201 1.00 0.12 C ATOM 112 O SER A 7 6.760 -9.157 5.264 1.00 0.12 O ATOM 113 CB SER A 7 9.219 -9.606 7.302 1.00 0.15 C ATOM 114 OG SER A 7 8.037 -10.125 7.897 1.00 0.15 O ATOM 0 H SER A 7 7.081 -7.527 6.990 1.00 0.12 H new ATOM 0 HA SER A 7 9.725 -8.107 5.818 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.777 -10.406 6.815 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.870 -9.183 8.067 1.00 0.15 H new ATOM 0 HG SER A 7 8.276 -10.815 8.551 1.00 0.15 H new ATOM 120 N LYS A 8 8.599 -9.766 4.221 1.00 0.14 N ATOM 121 CA LYS A 8 7.834 -10.445 3.143 1.00 0.15 C ATOM 122 C LYS A 8 7.082 -11.623 3.753 1.00 0.15 C ATOM 123 O LYS A 8 6.014 -11.994 3.306 1.00 0.16 O ATOM 124 CB LYS A 8 8.801 -10.953 2.074 1.00 0.18 C ATOM 125 CG LYS A 8 8.004 -11.407 0.852 1.00 0.21 C ATOM 126 CD LYS A 8 8.943 -11.955 -0.234 1.00 0.43 C ATOM 127 CE LYS A 8 9.744 -13.147 0.301 1.00 0.80 C ATOM 128 NZ LYS A 8 8.893 -13.953 1.222 1.00 1.65 N ATOM 0 H LYS A 8 9.613 -9.808 4.123 1.00 0.14 H new ATOM 0 HA LYS A 8 7.131 -9.749 2.685 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.500 -10.165 1.795 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.393 -11.780 2.465 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.288 -12.176 1.143 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.429 -10.570 0.455 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.363 -12.261 -1.105 1.00 0.43 H new ATOM 0 HD3 LYS A 8 9.624 -11.170 -0.564 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.088 -13.767 -0.527 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.632 -12.794 0.826 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 9.272 -14.919 1.289 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 8.892 -13.516 2.166 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 7.920 -13.987 0.855 1.00 1.65 H new ATOM 142 N THR A 9 7.639 -12.222 4.771 1.00 0.15 N ATOM 143 CA THR A 9 6.963 -13.389 5.403 1.00 0.17 C ATOM 144 C THR A 9 5.583 -12.963 5.893 1.00 0.16 C ATOM 145 O THR A 9 4.590 -13.616 5.634 1.00 0.17 O ATOM 146 CB THR A 9 7.805 -13.880 6.585 1.00 0.19 C ATOM 147 OG1 THR A 9 9.117 -14.183 6.131 1.00 0.22 O ATOM 148 CG2 THR A 9 7.169 -15.133 7.195 1.00 0.23 C ATOM 0 H THR A 9 8.529 -11.954 5.190 1.00 0.15 H new ATOM 0 HA THR A 9 6.856 -14.195 4.677 1.00 0.17 H new ATOM 0 HB THR A 9 7.851 -13.100 7.345 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.660 -14.496 6.885 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.774 -15.476 8.035 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.164 -14.898 7.544 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.117 -15.918 6.441 1.00 0.23 H new ATOM 156 N ALA A 10 5.507 -11.864 6.583 1.00 0.15 N ATOM 157 CA ALA A 10 4.186 -11.383 7.064 1.00 0.15 C ATOM 158 C ALA A 10 3.359 -10.909 5.868 1.00 0.14 C ATOM 159 O ALA A 10 2.146 -10.961 5.884 1.00 0.15 O ATOM 160 CB ALA A 10 4.379 -10.237 8.060 1.00 0.17 C ATOM 0 H ALA A 10 6.302 -11.277 6.835 1.00 0.15 H new ATOM 0 HA ALA A 10 3.662 -12.195 7.567 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.406 -9.890 8.408 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.964 -10.588 8.910 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.904 -9.416 7.572 1.00 0.17 H new ATOM 166 N PHE A 11 4.003 -10.445 4.825 1.00 0.14 N ATOM 167 CA PHE A 11 3.238 -9.963 3.636 1.00 0.13 C ATOM 168 C PHE A 11 2.407 -11.113 3.091 1.00 0.14 C ATOM 169 O PHE A 11 1.245 -10.965 2.772 1.00 0.14 O ATOM 170 CB PHE A 11 4.234 -9.523 2.546 1.00 0.14 C ATOM 171 CG PHE A 11 3.501 -8.827 1.415 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.875 -7.593 1.636 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.459 -9.412 0.140 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.207 -6.950 0.588 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.792 -8.767 -0.906 1.00 0.14 C ATOM 176 CZ PHE A 11 2.165 -7.538 -0.684 1.00 0.14 C ATOM 0 H PHE A 11 5.018 -10.380 4.747 1.00 0.14 H new ATOM 0 HA PHE A 11 2.595 -9.129 3.920 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.979 -8.852 2.974 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.770 -10.391 2.162 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.908 -7.138 2.615 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.943 -10.362 -0.034 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.723 -6.000 0.759 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.761 -9.219 -1.886 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.648 -7.041 -1.492 1.00 0.14 H new ATOM 186 N GLN A 12 3.000 -12.260 2.997 1.00 0.14 N ATOM 187 CA GLN A 12 2.264 -13.438 2.479 1.00 0.16 C ATOM 188 C GLN A 12 1.132 -13.780 3.450 1.00 0.15 C ATOM 189 O GLN A 12 0.019 -14.067 3.054 1.00 0.16 O ATOM 190 CB GLN A 12 3.243 -14.611 2.419 1.00 0.18 C ATOM 191 CG GLN A 12 4.366 -14.290 1.436 1.00 0.17 C ATOM 192 CD GLN A 12 3.789 -14.150 0.032 1.00 0.40 C ATOM 193 OE1 GLN A 12 2.844 -14.828 -0.319 1.00 1.12 O ATOM 194 NE2 GLN A 12 4.317 -13.296 -0.790 1.00 1.31 N ATOM 0 H GLN A 12 3.970 -12.436 3.258 1.00 0.14 H new ATOM 0 HA GLN A 12 1.849 -13.233 1.492 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.656 -14.804 3.409 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.722 -15.517 2.109 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.867 -13.367 1.728 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.117 -15.080 1.455 1.00 0.17 H new ATOM 0 HE21 GLN A 12 5.110 -12.727 -0.494 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.939 -13.194 -1.732 1.00 1.31 H new ATOM 203 N GLU A 13 1.423 -13.742 4.721 1.00 0.16 N ATOM 204 CA GLU A 13 0.395 -14.053 5.753 1.00 0.17 C ATOM 205 C GLU A 13 -0.721 -13.009 5.728 1.00 0.15 C ATOM 206 O GLU A 13 -1.875 -13.317 5.943 1.00 0.16 O ATOM 207 CB GLU A 13 1.062 -14.048 7.132 1.00 0.19 C ATOM 208 CG GLU A 13 2.093 -15.181 7.220 1.00 0.28 C ATOM 209 CD GLU A 13 1.381 -16.534 7.136 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.264 -16.624 7.620 1.00 1.67 O ATOM 211 OE2 GLU A 13 1.964 -17.457 6.591 1.00 1.77 O ATOM 0 H GLU A 13 2.343 -13.505 5.093 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.037 -15.032 5.544 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.548 -13.088 7.306 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.308 -14.170 7.910 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.818 -15.090 6.411 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.648 -15.109 8.155 1.00 0.28 H new ATOM 218 N ALA A 14 -0.385 -11.774 5.483 1.00 0.15 N ATOM 219 CA ALA A 14 -1.429 -10.715 5.458 1.00 0.14 C ATOM 220 C ALA A 14 -2.338 -10.935 4.255 1.00 0.13 C ATOM 221 O ALA A 14 -3.544 -10.805 4.341 1.00 0.13 O ATOM 222 CB ALA A 14 -0.765 -9.341 5.355 1.00 0.15 C ATOM 0 H ALA A 14 0.566 -11.453 5.299 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.018 -10.761 6.374 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.532 -8.567 5.337 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.114 -9.186 6.215 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.176 -9.289 4.440 1.00 0.15 H new ATOM 228 N LEU A 15 -1.765 -11.266 3.132 1.00 0.12 N ATOM 229 CA LEU A 15 -2.584 -11.495 1.918 1.00 0.12 C ATOM 230 C LEU A 15 -3.559 -12.641 2.196 1.00 0.13 C ATOM 231 O LEU A 15 -4.710 -12.606 1.812 1.00 0.13 O ATOM 232 CB LEU A 15 -1.657 -11.877 0.764 1.00 0.13 C ATOM 233 CG LEU A 15 -0.803 -10.666 0.349 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.294 -11.123 -0.622 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.678 -9.588 -0.320 1.00 0.17 C ATOM 0 H LEU A 15 -0.760 -11.387 3.006 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.140 -10.595 1.656 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -1.011 -12.702 1.064 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.245 -12.225 -0.085 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.347 -10.235 1.240 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.899 -10.266 -0.917 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.927 -11.864 -0.133 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.164 -11.565 -1.507 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.056 -8.740 -0.606 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.154 -10.005 -1.208 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.445 -9.256 0.380 1.00 0.17 H new ATOM 247 N ASP A 16 -3.094 -13.652 2.878 1.00 0.13 N ATOM 248 CA ASP A 16 -3.968 -14.813 3.210 1.00 0.15 C ATOM 249 C ASP A 16 -5.052 -14.395 4.204 1.00 0.15 C ATOM 250 O ASP A 16 -6.168 -14.876 4.166 1.00 0.16 O ATOM 251 CB ASP A 16 -3.128 -15.932 3.830 1.00 0.17 C ATOM 252 CG ASP A 16 -3.977 -17.203 3.938 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.104 -17.100 4.393 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.485 -18.256 3.566 1.00 1.07 O ATOM 0 H ASP A 16 -2.137 -13.724 3.223 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.438 -15.167 2.292 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.246 -16.121 3.219 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.774 -15.633 4.816 1.00 0.17 H new ATOM 259 N ALA A 17 -4.714 -13.533 5.119 1.00 0.15 N ATOM 260 CA ALA A 17 -5.701 -13.105 6.149 1.00 0.16 C ATOM 261 C ALA A 17 -6.823 -12.286 5.510 1.00 0.15 C ATOM 262 O ALA A 17 -7.980 -12.415 5.867 1.00 0.17 O ATOM 263 CB ALA A 17 -4.984 -12.257 7.200 1.00 0.18 C ATOM 0 H ALA A 17 -3.792 -13.104 5.199 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.139 -13.989 6.613 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.698 -11.938 7.959 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.196 -12.847 7.668 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.546 -11.380 6.723 1.00 0.18 H new ATOM 269 N ALA A 18 -6.497 -11.449 4.572 1.00 0.14 N ATOM 270 CA ALA A 18 -7.543 -10.620 3.911 1.00 0.15 C ATOM 271 C ALA A 18 -8.561 -11.535 3.226 1.00 0.14 C ATOM 272 O ALA A 18 -9.729 -11.218 3.130 1.00 0.17 O ATOM 273 CB ALA A 18 -6.889 -9.721 2.864 1.00 0.15 C ATOM 0 H ALA A 18 -5.547 -11.300 4.231 1.00 0.14 H new ATOM 0 HA ALA A 18 -8.047 -10.007 4.658 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.652 -9.113 2.379 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.160 -9.070 3.347 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.387 -10.337 2.118 1.00 0.15 H new ATOM 279 N GLY A 19 -8.124 -12.666 2.748 1.00 0.16 N ATOM 280 CA GLY A 19 -9.060 -13.600 2.063 1.00 0.20 C ATOM 281 C GLY A 19 -9.510 -12.998 0.729 1.00 0.16 C ATOM 282 O GLY A 19 -8.703 -12.660 -0.110 1.00 0.17 O ATOM 0 H GLY A 19 -7.157 -12.985 2.802 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.571 -14.559 1.893 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.926 -13.791 2.697 1.00 0.20 H new ATOM 286 N ASP A 20 -10.793 -12.878 0.518 1.00 0.15 N ATOM 287 CA ASP A 20 -11.297 -12.312 -0.772 1.00 0.14 C ATOM 288 C ASP A 20 -11.488 -10.798 -0.651 1.00 0.12 C ATOM 289 O ASP A 20 -11.965 -10.153 -1.563 1.00 0.13 O ATOM 290 CB ASP A 20 -12.635 -12.968 -1.115 1.00 0.15 C ATOM 291 CG ASP A 20 -12.422 -14.464 -1.353 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.461 -14.807 -2.025 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.225 -15.243 -0.863 1.00 1.07 O ATOM 0 H ASP A 20 -11.518 -13.147 1.183 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.569 -12.511 -1.559 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.346 -12.815 -0.303 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.062 -12.504 -2.004 1.00 0.15 H new ATOM 298 N LYS A 21 -11.129 -10.224 0.462 1.00 0.12 N ATOM 299 CA LYS A 21 -11.304 -8.752 0.628 1.00 0.12 C ATOM 300 C LYS A 21 -10.211 -8.015 -0.157 1.00 0.10 C ATOM 301 O LYS A 21 -9.105 -8.501 -0.295 1.00 0.11 O ATOM 302 CB LYS A 21 -11.189 -8.403 2.116 1.00 0.15 C ATOM 303 CG LYS A 21 -12.400 -8.961 2.873 1.00 0.21 C ATOM 304 CD LYS A 21 -12.475 -8.321 4.262 1.00 0.31 C ATOM 305 CE LYS A 21 -13.463 -9.101 5.130 1.00 0.80 C ATOM 306 NZ LYS A 21 -14.840 -8.944 4.586 1.00 1.50 N ATOM 0 H LYS A 21 -10.723 -10.707 1.263 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.282 -8.451 0.252 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.269 -8.818 2.527 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.135 -7.322 2.243 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.315 -8.757 2.317 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.318 -10.044 2.964 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.489 -8.319 4.727 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.790 -7.281 4.178 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -13.188 -10.156 5.153 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -13.424 -8.739 6.157 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -15.526 -9.344 5.257 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -15.044 -7.934 4.443 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -14.913 -9.444 3.677 1.00 1.50 H new ATOM 320 N LEU A 22 -10.506 -6.846 -0.675 1.00 0.11 N ATOM 321 CA LEU A 22 -9.482 -6.093 -1.449 1.00 0.12 C ATOM 322 C LEU A 22 -8.287 -5.848 -0.508 1.00 0.12 C ATOM 323 O LEU A 22 -8.427 -5.883 0.698 1.00 0.14 O ATOM 324 CB LEU A 22 -10.117 -4.750 -1.901 1.00 0.15 C ATOM 325 CG LEU A 22 -9.691 -4.344 -3.327 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.226 -2.920 -3.652 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.161 -4.356 -3.465 1.00 0.47 C ATOM 0 H LEU A 22 -11.412 -6.385 -0.592 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.144 -6.637 -2.331 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.203 -4.834 -1.860 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.831 -3.964 -1.202 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.112 -5.065 -4.027 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -9.922 -2.638 -4.660 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.314 -2.916 -3.587 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.817 -2.206 -2.937 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -7.885 -4.066 -4.479 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.726 -3.652 -2.755 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.785 -5.358 -3.259 1.00 0.47 H new ATOM 339 N VAL A 23 -7.120 -5.595 -1.035 1.00 0.11 N ATOM 340 CA VAL A 23 -5.938 -5.347 -0.160 1.00 0.11 C ATOM 341 C VAL A 23 -5.032 -4.327 -0.834 1.00 0.11 C ATOM 342 O VAL A 23 -4.448 -4.598 -1.865 1.00 0.17 O ATOM 343 CB VAL A 23 -5.146 -6.642 0.047 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.913 -6.342 0.901 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.016 -7.679 0.758 1.00 0.12 C ATOM 0 H VAL A 23 -6.933 -5.549 -2.037 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.283 -4.978 0.806 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.841 -7.038 -0.922 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.344 -7.259 1.053 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.288 -5.607 0.393 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.227 -5.946 1.867 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.445 -8.596 0.901 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.327 -7.290 1.728 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.897 -7.891 0.153 1.00 0.12 H new ATOM 355 N VAL A 24 -4.907 -3.156 -0.268 1.00 0.09 N ATOM 356 CA VAL A 24 -4.029 -2.117 -0.882 1.00 0.09 C ATOM 357 C VAL A 24 -2.691 -2.113 -0.137 1.00 0.09 C ATOM 358 O VAL A 24 -2.649 -2.277 1.066 1.00 0.10 O ATOM 359 CB VAL A 24 -4.698 -0.742 -0.763 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.854 0.309 -1.493 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.092 -0.791 -1.396 1.00 0.14 C ATOM 0 H VAL A 24 -5.375 -2.874 0.593 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.866 -2.337 -1.937 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.782 -0.477 0.291 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.333 1.284 -1.406 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.860 0.351 -1.047 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.768 0.040 -2.546 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.565 0.187 -1.310 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.004 -1.061 -2.449 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.700 -1.535 -0.880 1.00 0.14 H new ATOM 371 N VAL A 25 -1.594 -1.941 -0.839 1.00 0.09 N ATOM 372 CA VAL A 25 -0.247 -1.938 -0.168 1.00 0.09 C ATOM 373 C VAL A 25 0.488 -0.635 -0.493 1.00 0.10 C ATOM 374 O VAL A 25 0.694 -0.308 -1.640 1.00 0.11 O ATOM 375 CB VAL A 25 0.570 -3.120 -0.695 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.895 -3.228 0.067 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.233 -4.408 -0.511 1.00 0.10 C ATOM 0 H VAL A 25 -1.571 -1.802 -1.849 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.375 -2.021 0.911 1.00 0.09 H new ATOM 0 HB VAL A 25 0.784 -2.965 -1.753 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.468 -4.072 -0.317 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.468 -2.310 -0.067 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.694 -3.378 1.128 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.345 -5.253 -0.885 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.448 -4.555 0.548 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.169 -4.335 -1.064 1.00 0.10 H new ATOM 387 N ASP A 26 0.894 0.105 0.513 1.00 0.11 N ATOM 388 CA ASP A 26 1.626 1.397 0.270 1.00 0.12 C ATOM 389 C ASP A 26 3.141 1.209 0.467 1.00 0.14 C ATOM 390 O ASP A 26 3.599 0.916 1.551 1.00 0.20 O ATOM 391 CB ASP A 26 1.117 2.459 1.251 1.00 0.14 C ATOM 392 CG ASP A 26 1.862 3.772 0.995 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.792 4.260 -0.120 1.00 1.04 O ATOM 394 OD2 ASP A 26 2.506 4.256 1.912 1.00 1.05 O ATOM 0 H ASP A 26 0.751 -0.129 1.496 1.00 0.11 H new ATOM 0 HA ASP A 26 1.443 1.715 -0.756 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.044 2.604 1.125 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.276 2.130 2.278 1.00 0.14 H new ATOM 399 N PHE A 27 3.918 1.391 -0.572 1.00 0.13 N ATOM 400 CA PHE A 27 5.412 1.240 -0.466 1.00 0.13 C ATOM 401 C PHE A 27 6.083 2.592 -0.205 1.00 0.22 C ATOM 402 O PHE A 27 7.237 2.787 -0.531 1.00 0.73 O ATOM 403 CB PHE A 27 5.969 0.660 -1.770 1.00 0.11 C ATOM 404 CG PHE A 27 5.660 -0.811 -1.854 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.480 -1.732 -1.187 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.573 -1.261 -2.605 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.209 -3.103 -1.272 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.301 -2.631 -2.685 1.00 0.14 C ATOM 409 CZ PHE A 27 5.118 -3.552 -2.019 1.00 0.14 C ATOM 0 H PHE A 27 3.581 1.641 -1.502 1.00 0.13 H new ATOM 0 HA PHE A 27 5.624 0.570 0.367 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.535 1.180 -2.624 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.047 0.817 -1.816 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.322 -1.384 -0.607 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.943 -0.553 -3.123 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.843 -3.812 -0.761 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.458 -2.979 -3.263 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.905 -4.609 -2.083 1.00 0.14 H new ATOM 419 N SER A 28 5.382 3.533 0.351 1.00 0.30 N ATOM 420 CA SER A 28 6.008 4.865 0.591 1.00 0.24 C ATOM 421 C SER A 28 7.225 4.731 1.496 1.00 0.24 C ATOM 422 O SER A 28 7.283 3.882 2.362 1.00 0.28 O ATOM 423 CB SER A 28 5.006 5.794 1.271 1.00 0.27 C ATOM 424 OG SER A 28 3.870 5.953 0.435 1.00 0.29 O ATOM 0 H SER A 28 4.411 3.444 0.649 1.00 0.30 H new ATOM 0 HA SER A 28 6.312 5.274 -0.373 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.707 5.382 2.235 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.466 6.763 1.467 1.00 0.27 H new ATOM 0 HG SER A 28 3.224 6.548 0.870 1.00 0.29 H new ATOM 430 N ALA A 29 8.187 5.593 1.313 1.00 0.20 N ATOM 431 CA ALA A 29 9.398 5.558 2.173 1.00 0.21 C ATOM 432 C ALA A 29 9.080 6.360 3.432 1.00 0.22 C ATOM 433 O ALA A 29 8.690 7.508 3.360 1.00 0.22 O ATOM 434 CB ALA A 29 10.581 6.200 1.414 1.00 0.19 C ATOM 0 H ALA A 29 8.184 6.323 0.600 1.00 0.20 H new ATOM 0 HA ALA A 29 9.671 4.535 2.433 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.472 6.176 2.042 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.769 5.644 0.496 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.338 7.234 1.168 1.00 0.19 H new ATOM 440 N THR A 30 9.234 5.778 4.584 1.00 0.23 N ATOM 441 CA THR A 30 8.925 6.539 5.818 1.00 0.24 C ATOM 442 C THR A 30 9.937 7.674 5.939 1.00 0.22 C ATOM 443 O THR A 30 9.646 8.732 6.464 1.00 0.22 O ATOM 444 CB THR A 30 9.034 5.620 7.036 1.00 0.28 C ATOM 445 OG1 THR A 30 8.736 6.361 8.211 1.00 0.30 O ATOM 446 CG2 THR A 30 10.456 5.062 7.129 1.00 0.29 C ATOM 0 H THR A 30 9.556 4.820 4.723 1.00 0.23 H new ATOM 0 HA THR A 30 7.911 6.937 5.772 1.00 0.24 H new ATOM 0 HB THR A 30 8.328 4.795 6.936 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.803 5.775 8.993 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.534 4.407 7.997 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.685 4.496 6.226 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.164 5.885 7.231 1.00 0.29 H new ATOM 454 N TRP A 31 11.124 7.466 5.441 1.00 0.22 N ATOM 455 CA TRP A 31 12.160 8.533 5.525 1.00 0.21 C ATOM 456 C TRP A 31 11.884 9.638 4.503 1.00 0.19 C ATOM 457 O TRP A 31 12.460 10.704 4.571 1.00 0.22 O ATOM 458 CB TRP A 31 13.526 7.934 5.225 1.00 0.23 C ATOM 459 CG TRP A 31 13.540 7.384 3.833 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.289 6.100 3.508 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.791 8.080 2.578 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.423 5.948 2.140 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.717 7.144 1.522 1.00 0.21 C ATOM 464 CE3 TRP A 31 14.086 9.417 2.258 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.928 7.519 0.197 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.295 9.799 0.924 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.215 8.853 -0.104 1.00 0.21 C ATOM 0 H TRP A 31 11.421 6.606 4.981 1.00 0.22 H new ATOM 0 HA TRP A 31 12.136 8.956 6.529 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.299 8.694 5.334 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.753 7.144 5.941 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.026 5.317 4.203 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.317 5.060 1.649 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.152 10.155 3.044 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.870 6.784 -0.592 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.519 10.829 0.689 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.375 9.154 -1.129 1.00 0.21 H new ATOM 478 N CYS A 32 11.020 9.406 3.553 1.00 0.18 N ATOM 479 CA CYS A 32 10.736 10.468 2.543 1.00 0.17 C ATOM 480 C CYS A 32 9.653 11.388 3.108 1.00 0.17 C ATOM 481 O CYS A 32 8.555 10.967 3.416 1.00 0.20 O ATOM 482 CB CYS A 32 10.285 9.811 1.224 1.00 0.18 C ATOM 483 SG CYS A 32 10.242 11.046 -0.112 1.00 0.26 S ATOM 0 H CYS A 32 10.502 8.536 3.432 1.00 0.18 H new ATOM 0 HA CYS A 32 11.628 11.058 2.334 1.00 0.17 H new ATOM 0 HB2 CYS A 32 10.967 9.003 0.960 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.298 9.366 1.350 1.00 0.18 H new ATOM 488 N GLY A 33 9.982 12.640 3.284 1.00 0.20 N ATOM 489 CA GLY A 33 9.012 13.607 3.872 1.00 0.23 C ATOM 490 C GLY A 33 7.751 13.760 3.013 1.00 0.21 C ATOM 491 O GLY A 33 6.655 13.611 3.514 1.00 0.22 O ATOM 0 H GLY A 33 10.890 13.037 3.043 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.730 13.274 4.871 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.493 14.579 3.984 1.00 0.23 H new ATOM 495 N PRO A 34 7.867 14.071 1.742 1.00 0.21 N ATOM 496 CA PRO A 34 6.649 14.233 0.909 1.00 0.22 C ATOM 497 C PRO A 34 5.813 12.949 0.850 1.00 0.22 C ATOM 498 O PRO A 34 4.609 12.994 0.721 1.00 0.24 O ATOM 499 CB PRO A 34 7.222 14.635 -0.464 1.00 0.29 C ATOM 500 CG PRO A 34 8.750 14.440 -0.421 1.00 0.31 C ATOM 501 CD PRO A 34 9.175 14.276 1.053 1.00 0.24 C ATOM 0 HA PRO A 34 5.952 14.971 1.306 1.00 0.22 H new ATOM 0 HB2 PRO A 34 6.783 14.025 -1.253 1.00 0.29 H new ATOM 0 HB3 PRO A 34 6.977 15.673 -0.690 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.037 13.562 -0.999 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.255 15.296 -0.869 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.844 13.427 1.191 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.697 15.157 1.426 1.00 0.24 H new ATOM 509 N ALA A 35 6.437 11.805 0.954 1.00 0.21 N ATOM 510 CA ALA A 35 5.660 10.531 0.906 1.00 0.23 C ATOM 511 C ALA A 35 4.942 10.310 2.248 1.00 0.23 C ATOM 512 O ALA A 35 3.765 10.019 2.292 1.00 0.22 O ATOM 513 CB ALA A 35 6.621 9.366 0.627 1.00 0.24 C ATOM 0 H ALA A 35 7.445 11.697 1.069 1.00 0.21 H new ATOM 0 HA ALA A 35 4.915 10.585 0.113 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.060 8.432 0.591 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.120 9.527 -0.329 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.366 9.311 1.421 1.00 0.24 H new ATOM 519 N LYS A 36 5.645 10.462 3.341 1.00 0.25 N ATOM 520 CA LYS A 36 5.009 10.272 4.685 1.00 0.27 C ATOM 521 C LYS A 36 3.857 11.267 4.859 1.00 0.26 C ATOM 522 O LYS A 36 2.877 10.991 5.521 1.00 0.27 O ATOM 523 CB LYS A 36 6.055 10.497 5.782 1.00 0.33 C ATOM 524 CG LYS A 36 5.482 10.072 7.141 1.00 0.37 C ATOM 525 CD LYS A 36 6.417 10.537 8.262 1.00 0.44 C ATOM 526 CE LYS A 36 5.974 9.919 9.591 1.00 0.89 C ATOM 527 NZ LYS A 36 4.633 10.450 9.966 1.00 1.59 N ATOM 0 H LYS A 36 6.634 10.710 3.363 1.00 0.25 H new ATOM 0 HA LYS A 36 4.619 9.257 4.759 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.956 9.924 5.561 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.345 11.547 5.811 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.490 10.502 7.279 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.367 8.989 7.176 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.443 10.245 8.038 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.403 11.625 8.333 1.00 0.44 H new ATOM 0 HE2 LYS A 36 5.935 8.833 9.504 1.00 0.89 H new ATOM 0 HE3 LYS A 36 6.699 10.150 10.371 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 4.415 10.180 10.946 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 4.635 11.487 9.884 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 3.912 10.054 9.329 1.00 1.59 H new ATOM 541 N MET A 37 3.979 12.423 4.274 1.00 0.28 N ATOM 542 CA MET A 37 2.912 13.457 4.399 1.00 0.30 C ATOM 543 C MET A 37 1.592 12.921 3.842 1.00 0.25 C ATOM 544 O MET A 37 0.533 13.327 4.264 1.00 0.25 O ATOM 545 CB MET A 37 3.318 14.706 3.616 1.00 0.38 C ATOM 546 CG MET A 37 2.322 15.835 3.893 1.00 0.44 C ATOM 547 SD MET A 37 2.726 17.262 2.856 1.00 1.54 S ATOM 548 CE MET A 37 3.943 18.007 3.965 1.00 2.10 C ATOM 0 H MET A 37 4.781 12.701 3.708 1.00 0.28 H new ATOM 0 HA MET A 37 2.782 13.706 5.452 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.323 15.016 3.903 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.345 14.485 2.549 1.00 0.38 H new ATOM 0 HG2 MET A 37 1.306 15.497 3.686 1.00 0.44 H new ATOM 0 HG3 MET A 37 2.357 16.115 4.946 1.00 0.44 H new ATOM 0 HE1 MET A 37 4.333 18.921 3.516 1.00 2.10 H new ATOM 0 HE2 MET A 37 3.470 18.244 4.918 1.00 2.10 H new ATOM 0 HE3 MET A 37 4.761 17.306 4.131 1.00 2.10 H new ATOM 558 N ILE A 38 1.655 12.035 2.885 1.00 0.23 N ATOM 559 CA ILE A 38 0.412 11.464 2.272 1.00 0.25 C ATOM 560 C ILE A 38 -0.187 10.358 3.164 1.00 0.26 C ATOM 561 O ILE A 38 -1.218 9.800 2.845 1.00 0.31 O ATOM 562 CB ILE A 38 0.719 10.866 0.881 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.698 11.761 0.110 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.576 10.731 0.070 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.193 11.017 -1.128 1.00 0.49 C ATOM 0 H ILE A 38 2.526 11.675 2.494 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.307 12.277 2.174 1.00 0.25 H new ATOM 0 HB ILE A 38 1.169 9.884 1.027 1.00 0.33 H new ATOM 0 HG12 ILE A 38 1.207 12.690 -0.182 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.540 12.032 0.747 1.00 0.34 H new ATOM 0 HG21 ILE A 38 -0.350 10.309 -0.909 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -1.269 10.075 0.597 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -1.031 11.714 -0.055 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.889 11.650 -1.679 1.00 0.49 H new ATOM 0 HD12 ILE A 38 2.699 10.101 -0.824 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.345 10.769 -1.767 1.00 0.49 H new ATOM 577 N LYS A 39 0.455 9.988 4.243 1.00 0.27 N ATOM 578 CA LYS A 39 -0.110 8.872 5.065 1.00 0.34 C ATOM 579 C LYS A 39 -1.524 9.165 5.625 1.00 0.30 C ATOM 580 O LYS A 39 -2.277 8.240 5.822 1.00 0.33 O ATOM 581 CB LYS A 39 0.845 8.447 6.212 1.00 0.46 C ATOM 582 CG LYS A 39 0.782 9.388 7.444 1.00 0.50 C ATOM 583 CD LYS A 39 1.343 8.671 8.689 1.00 0.65 C ATOM 584 CE LYS A 39 0.477 7.454 9.069 1.00 0.80 C ATOM 585 NZ LYS A 39 1.092 6.220 8.498 1.00 0.75 N ATOM 0 H LYS A 39 1.324 10.397 4.585 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.211 8.039 4.370 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.597 7.433 6.525 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.867 8.423 5.834 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.355 10.295 7.248 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.248 9.694 7.625 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.365 8.347 8.495 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.383 9.368 9.526 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.402 7.370 10.153 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.536 7.580 8.688 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.386 5.712 7.929 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.899 6.481 7.896 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.421 5.606 9.271 1.00 0.75 H new ATOM 599 N PRO A 40 -1.911 10.393 5.932 1.00 0.26 N ATOM 600 CA PRO A 40 -3.271 10.618 6.502 1.00 0.25 C ATOM 601 C PRO A 40 -4.378 10.142 5.559 1.00 0.20 C ATOM 602 O PRO A 40 -5.360 9.585 5.990 1.00 0.21 O ATOM 603 CB PRO A 40 -3.293 12.145 6.672 1.00 0.26 C ATOM 604 CG PRO A 40 -1.837 12.604 6.661 1.00 0.28 C ATOM 605 CD PRO A 40 -1.094 11.621 5.753 1.00 0.27 C ATOM 0 HA PRO A 40 -3.452 10.066 7.424 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.854 12.617 5.866 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.781 12.424 7.606 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.752 13.624 6.285 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.418 12.599 7.667 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -1.073 11.954 4.715 1.00 0.27 H new ATOM 0 HD3 PRO A 40 -0.059 11.476 6.062 1.00 0.27 H new ATOM 613 N PHE A 41 -4.229 10.343 4.275 1.00 0.16 N ATOM 614 CA PHE A 41 -5.296 9.875 3.348 1.00 0.13 C ATOM 615 C PHE A 41 -5.263 8.354 3.286 1.00 0.13 C ATOM 616 O PHE A 41 -6.251 7.684 3.492 1.00 0.15 O ATOM 617 CB PHE A 41 -5.030 10.416 1.943 1.00 0.14 C ATOM 618 CG PHE A 41 -5.310 11.893 1.889 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.401 12.799 2.441 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.483 12.357 1.283 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.663 14.172 2.389 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.747 13.728 1.231 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.837 14.639 1.784 1.00 0.37 C ATOM 0 H PHE A 41 -3.430 10.802 3.837 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.264 10.226 3.706 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -3.994 10.225 1.663 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.657 9.894 1.220 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.496 12.439 2.908 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.184 11.655 0.856 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.960 14.872 2.815 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.653 14.086 0.764 1.00 0.31 H new ATOM 0 HZ PHE A 41 -6.040 15.699 1.744 1.00 0.37 H new ATOM 633 N PHE A 42 -4.116 7.800 3.051 1.00 0.12 N ATOM 634 CA PHE A 42 -4.012 6.324 3.000 1.00 0.13 C ATOM 635 C PHE A 42 -4.446 5.742 4.349 1.00 0.14 C ATOM 636 O PHE A 42 -5.237 4.823 4.419 1.00 0.16 O ATOM 637 CB PHE A 42 -2.552 5.968 2.690 1.00 0.13 C ATOM 638 CG PHE A 42 -2.392 4.475 2.620 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.718 3.788 1.447 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.934 3.772 3.741 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.591 2.394 1.396 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.803 2.380 3.690 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.133 1.689 2.518 1.00 0.13 C ATOM 0 H PHE A 42 -3.244 8.305 2.892 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.659 5.907 2.228 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.252 6.419 1.744 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.898 6.377 3.460 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.067 4.331 0.581 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.682 4.305 4.646 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.846 1.862 0.492 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.447 1.839 4.554 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.035 0.614 2.478 1.00 0.13 H new ATOM 653 N HIS A 43 -3.944 6.291 5.415 1.00 0.16 N ATOM 654 CA HIS A 43 -4.312 5.803 6.776 1.00 0.18 C ATOM 655 C HIS A 43 -5.778 6.130 7.109 1.00 0.16 C ATOM 656 O HIS A 43 -6.489 5.324 7.674 1.00 0.16 O ATOM 657 CB HIS A 43 -3.384 6.471 7.794 1.00 0.23 C ATOM 658 CG HIS A 43 -3.733 5.997 9.170 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.119 4.901 9.747 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.688 6.406 10.059 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.715 4.680 10.933 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.682 5.571 11.174 1.00 0.31 N ATOM 0 H HIS A 43 -3.284 7.069 5.405 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.201 4.719 6.810 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.345 6.232 7.567 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.481 7.555 7.735 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.348 7.249 9.918 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.445 3.881 11.607 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.284 5.627 11.995 1.00 0.31 H new ATOM 670 N SER A 44 -6.231 7.312 6.782 1.00 0.15 N ATOM 671 CA SER A 44 -7.645 7.692 7.097 1.00 0.15 C ATOM 672 C SER A 44 -8.627 6.834 6.291 1.00 0.13 C ATOM 673 O SER A 44 -9.670 6.445 6.776 1.00 0.15 O ATOM 674 CB SER A 44 -7.886 9.168 6.770 1.00 0.18 C ATOM 675 OG SER A 44 -7.063 9.975 7.604 1.00 0.22 O ATOM 0 H SER A 44 -5.685 8.033 6.310 1.00 0.15 H new ATOM 0 HA SER A 44 -7.809 7.523 8.161 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.661 9.361 5.721 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.936 9.419 6.923 1.00 0.18 H new ATOM 0 HG SER A 44 -6.247 10.220 7.120 1.00 0.22 H new ATOM 681 N LEU A 45 -8.311 6.557 5.054 1.00 0.12 N ATOM 682 CA LEU A 45 -9.234 5.753 4.199 1.00 0.14 C ATOM 683 C LEU A 45 -9.465 4.378 4.817 1.00 0.13 C ATOM 684 O LEU A 45 -10.444 3.719 4.526 1.00 0.15 O ATOM 685 CB LEU A 45 -8.629 5.583 2.805 1.00 0.16 C ATOM 686 CG LEU A 45 -8.661 6.922 2.038 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.646 6.881 0.892 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.063 7.179 1.467 1.00 0.22 C ATOM 0 H LEU A 45 -7.449 6.854 4.596 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.187 6.277 4.126 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.602 5.229 2.888 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.183 4.826 2.251 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.407 7.727 2.728 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.670 7.827 0.351 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.647 6.719 1.296 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -7.898 6.068 0.212 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.069 8.127 0.929 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.331 6.373 0.784 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.786 7.220 2.282 1.00 0.22 H new ATOM 700 N SER A 46 -8.575 3.920 5.651 1.00 0.12 N ATOM 701 CA SER A 46 -8.773 2.577 6.249 1.00 0.12 C ATOM 702 C SER A 46 -10.122 2.550 6.965 1.00 0.14 C ATOM 703 O SER A 46 -10.808 1.548 6.966 1.00 0.16 O ATOM 704 CB SER A 46 -7.648 2.276 7.241 1.00 0.13 C ATOM 705 OG SER A 46 -6.402 2.309 6.557 1.00 0.14 O ATOM 0 H SER A 46 -7.730 4.412 5.940 1.00 0.12 H new ATOM 0 HA SER A 46 -8.757 1.819 5.466 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.653 3.008 8.048 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.801 1.298 7.697 1.00 0.13 H new ATOM 0 HG SER A 46 -6.523 1.981 5.641 1.00 0.14 H new ATOM 711 N GLU A 47 -10.524 3.642 7.565 1.00 0.15 N ATOM 712 CA GLU A 47 -11.846 3.659 8.262 1.00 0.18 C ATOM 713 C GLU A 47 -12.938 4.088 7.277 1.00 0.18 C ATOM 714 O GLU A 47 -14.110 3.937 7.547 1.00 0.21 O ATOM 715 CB GLU A 47 -11.807 4.645 9.435 1.00 0.22 C ATOM 716 CG GLU A 47 -10.909 4.100 10.546 1.00 0.23 C ATOM 717 CD GLU A 47 -9.442 4.183 10.119 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.134 5.016 9.284 1.00 2.16 O ATOM 719 OE2 GLU A 47 -8.652 3.413 10.636 1.00 2.05 O ATOM 0 H GLU A 47 -9.999 4.516 7.603 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.062 2.659 8.639 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.434 5.612 9.096 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.815 4.808 9.817 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -11.063 4.670 11.462 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.175 3.066 10.766 1.00 0.23 H new ATOM 726 N LYS A 48 -12.572 4.602 6.126 1.00 0.17 N ATOM 727 CA LYS A 48 -13.616 4.999 5.134 1.00 0.19 C ATOM 728 C LYS A 48 -14.032 3.741 4.393 1.00 0.18 C ATOM 729 O LYS A 48 -15.184 3.547 4.060 1.00 0.21 O ATOM 730 CB LYS A 48 -13.065 6.026 4.144 1.00 0.20 C ATOM 731 CG LYS A 48 -14.209 6.536 3.255 1.00 0.30 C ATOM 732 CD LYS A 48 -13.656 7.397 2.111 1.00 0.82 C ATOM 733 CE LYS A 48 -13.269 8.783 2.637 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.463 9.426 3.255 1.00 1.78 N ATOM 0 H LYS A 48 -11.607 4.761 5.835 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.464 5.456 5.643 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.608 6.857 4.681 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.285 5.575 3.530 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.765 5.692 2.847 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.909 7.120 3.852 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -12.787 6.912 1.667 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -14.404 7.494 1.324 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -12.468 8.695 3.371 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -12.889 9.401 1.823 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -14.331 10.457 3.273 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -15.310 9.195 2.697 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -14.582 9.075 4.227 1.00 1.78 H new ATOM 748 N TYR A 49 -13.084 2.873 4.157 1.00 0.16 N ATOM 749 CA TYR A 49 -13.374 1.583 3.464 1.00 0.17 C ATOM 750 C TYR A 49 -12.936 0.461 4.395 1.00 0.16 C ATOM 751 O TYR A 49 -12.007 -0.268 4.122 1.00 0.16 O ATOM 752 CB TYR A 49 -12.583 1.505 2.154 1.00 0.17 C ATOM 753 CG TYR A 49 -13.112 2.540 1.191 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.347 2.333 0.568 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.378 3.702 0.924 1.00 0.19 C ATOM 756 CE1 TYR A 49 -14.852 3.287 -0.321 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.885 4.658 0.034 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.121 4.449 -0.587 1.00 0.21 C ATOM 759 OH TYR A 49 -14.622 5.390 -1.463 1.00 0.25 O ATOM 0 H TYR A 49 -12.107 3.005 4.419 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.435 1.502 3.229 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.524 1.676 2.344 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.672 0.509 1.721 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -14.911 1.435 0.774 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.423 3.861 1.403 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.806 3.126 -0.802 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.322 5.556 -0.173 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.127 6.230 -1.359 1.00 0.25 H new ATOM 769 N SER A 50 -13.619 0.318 5.499 1.00 0.17 N ATOM 770 CA SER A 50 -13.269 -0.748 6.468 1.00 0.18 C ATOM 771 C SER A 50 -13.487 -2.095 5.781 1.00 0.19 C ATOM 772 O SER A 50 -13.133 -3.141 6.287 1.00 0.21 O ATOM 773 CB SER A 50 -14.157 -0.606 7.702 1.00 0.20 C ATOM 774 OG SER A 50 -15.459 -1.088 7.405 1.00 0.22 O ATOM 0 H SER A 50 -14.411 0.902 5.769 1.00 0.17 H new ATOM 0 HA SER A 50 -12.230 -0.673 6.787 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.732 -1.165 8.536 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.206 0.438 8.010 1.00 0.20 H new ATOM 0 HG SER A 50 -16.029 -0.999 8.197 1.00 0.22 H new ATOM 780 N ASN A 51 -14.047 -2.050 4.602 1.00 0.20 N ATOM 781 CA ASN A 51 -14.285 -3.283 3.809 1.00 0.23 C ATOM 782 C ASN A 51 -12.987 -3.695 3.118 1.00 0.19 C ATOM 783 O ASN A 51 -12.830 -4.826 2.701 1.00 0.22 O ATOM 784 CB ASN A 51 -15.357 -2.982 2.753 1.00 0.32 C ATOM 785 CG ASN A 51 -15.309 -4.024 1.626 1.00 0.54 C ATOM 786 OD1 ASN A 51 -14.340 -4.095 0.898 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.301 -4.839 1.454 1.00 0.27 N ATOM 0 H ASN A 51 -14.355 -1.190 4.149 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.619 -4.093 4.458 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.343 -2.984 3.217 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.201 -1.985 2.341 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.265 -5.536 0.710 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -17.118 -4.784 2.063 1.00 0.27 H new ATOM 794 N VAL A 52 -12.067 -2.778 2.977 1.00 0.21 N ATOM 795 CA VAL A 52 -10.783 -3.084 2.297 1.00 0.17 C ATOM 796 C VAL A 52 -9.660 -3.070 3.332 1.00 0.13 C ATOM 797 O VAL A 52 -9.717 -2.345 4.304 1.00 0.14 O ATOM 798 CB VAL A 52 -10.527 -2.009 1.237 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.117 -2.176 0.635 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.593 -2.128 0.138 1.00 0.24 C ATOM 0 H VAL A 52 -12.156 -1.818 3.310 1.00 0.21 H new ATOM 0 HA VAL A 52 -10.823 -4.065 1.823 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.586 -1.022 1.697 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -8.949 -1.405 -0.117 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.371 -2.082 1.424 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.033 -3.159 0.172 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.419 -1.366 -0.622 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.536 -3.116 -0.319 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.582 -1.987 0.574 1.00 0.24 H new ATOM 810 N ILE A 53 -8.650 -3.884 3.151 1.00 0.11 N ATOM 811 CA ILE A 53 -7.534 -3.924 4.150 1.00 0.09 C ATOM 812 C ILE A 53 -6.353 -3.102 3.624 1.00 0.09 C ATOM 813 O ILE A 53 -5.814 -3.391 2.575 1.00 0.12 O ATOM 814 CB ILE A 53 -7.084 -5.375 4.332 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.312 -6.257 4.591 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.115 -5.476 5.523 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.139 -5.704 5.755 1.00 0.15 C ATOM 0 H ILE A 53 -8.548 -4.520 2.360 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.875 -3.513 5.100 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.575 -5.712 3.429 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.927 -6.306 3.692 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.994 -7.275 4.816 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.798 -6.511 5.647 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.243 -4.850 5.336 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.617 -5.139 6.430 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -10.005 -6.344 5.922 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.527 -5.679 6.657 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.474 -4.695 5.516 1.00 0.15 H new ATOM 829 N PHE A 54 -5.940 -2.084 4.342 1.00 0.08 N ATOM 830 CA PHE A 54 -4.781 -1.250 3.874 1.00 0.09 C ATOM 831 C PHE A 54 -3.488 -1.689 4.576 1.00 0.09 C ATOM 832 O PHE A 54 -3.413 -1.736 5.788 1.00 0.12 O ATOM 833 CB PHE A 54 -5.038 0.225 4.209 1.00 0.10 C ATOM 834 CG PHE A 54 -6.239 0.742 3.445 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.527 0.310 3.782 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.062 1.666 2.404 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.636 0.800 3.079 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.170 2.153 1.700 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.457 1.719 2.038 1.00 0.10 C ATOM 0 H PHE A 54 -6.352 -1.794 5.229 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.676 -1.381 2.797 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.206 0.337 5.280 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.158 0.819 3.960 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.666 -0.401 4.583 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.069 2.002 2.145 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.630 0.468 3.341 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.032 2.862 0.897 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.313 2.093 1.495 1.00 0.10 H new ATOM 849 N LEU A 55 -2.455 -1.984 3.814 1.00 0.09 N ATOM 850 CA LEU A 55 -1.138 -2.390 4.414 1.00 0.11 C ATOM 851 C LEU A 55 -0.132 -1.277 4.174 1.00 0.10 C ATOM 852 O LEU A 55 -0.127 -0.652 3.133 1.00 0.10 O ATOM 853 CB LEU A 55 -0.576 -3.683 3.775 1.00 0.12 C ATOM 854 CG LEU A 55 -1.379 -4.925 4.199 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.873 -4.719 3.969 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.898 -6.136 3.393 1.00 0.22 C ATOM 0 H LEU A 55 -2.469 -1.960 2.794 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.301 -2.573 5.476 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.596 -3.590 2.689 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.467 -3.808 4.065 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.219 -5.095 5.264 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.415 -5.613 4.278 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.217 -3.866 4.554 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.056 -4.531 2.911 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.464 -7.019 3.690 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.049 -5.949 2.330 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.162 -6.303 3.585 1.00 0.22 H new ATOM 868 N GLU A 56 0.739 -1.044 5.118 1.00 0.12 N ATOM 869 CA GLU A 56 1.780 0.010 4.950 1.00 0.13 C ATOM 870 C GLU A 56 3.121 -0.706 4.859 1.00 0.13 C ATOM 871 O GLU A 56 3.424 -1.561 5.668 1.00 0.14 O ATOM 872 CB GLU A 56 1.762 0.943 6.164 1.00 0.15 C ATOM 873 CG GLU A 56 2.646 2.158 5.884 1.00 0.17 C ATOM 874 CD GLU A 56 2.732 3.027 7.139 1.00 0.20 C ATOM 875 OE1 GLU A 56 3.430 2.637 8.057 1.00 1.13 O ATOM 876 OE2 GLU A 56 2.099 4.068 7.160 1.00 1.05 O ATOM 0 H GLU A 56 0.774 -1.544 6.007 1.00 0.12 H new ATOM 0 HA GLU A 56 1.600 0.609 4.057 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.742 1.263 6.375 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.120 0.415 7.048 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.643 1.834 5.584 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.236 2.736 5.056 1.00 0.17 H new ATOM 883 N VAL A 57 3.914 -0.403 3.862 1.00 0.12 N ATOM 884 CA VAL A 57 5.227 -1.109 3.701 1.00 0.12 C ATOM 885 C VAL A 57 6.371 -0.095 3.585 1.00 0.11 C ATOM 886 O VAL A 57 6.300 0.865 2.844 1.00 0.13 O ATOM 887 CB VAL A 57 5.172 -1.961 2.434 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.447 -2.791 2.323 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.969 -2.902 2.507 1.00 0.14 C ATOM 0 H VAL A 57 3.712 0.301 3.152 1.00 0.12 H new ATOM 0 HA VAL A 57 5.408 -1.737 4.573 1.00 0.12 H new ATOM 0 HB VAL A 57 5.080 -1.310 1.564 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.408 -3.399 1.419 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.310 -2.127 2.277 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.535 -3.441 3.194 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.928 -3.511 1.604 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.067 -3.551 3.378 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.054 -2.316 2.592 1.00 0.14 H new ATOM 899 N ASP A 58 7.431 -0.321 4.314 1.00 0.10 N ATOM 900 CA ASP A 58 8.609 0.594 4.279 1.00 0.09 C ATOM 901 C ASP A 58 9.647 0.024 3.319 1.00 0.09 C ATOM 902 O ASP A 58 10.149 -1.061 3.526 1.00 0.09 O ATOM 903 CB ASP A 58 9.211 0.647 5.679 1.00 0.10 C ATOM 904 CG ASP A 58 10.268 1.755 5.758 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.365 2.524 4.817 1.00 1.05 O ATOM 906 OD2 ASP A 58 10.960 1.812 6.761 1.00 1.02 O ATOM 0 H ASP A 58 7.532 -1.117 4.944 1.00 0.10 H new ATOM 0 HA ASP A 58 8.310 1.590 3.953 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.427 0.829 6.414 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.662 -0.314 5.926 1.00 0.10 H new ATOM 911 N VAL A 59 10.006 0.734 2.290 1.00 0.09 N ATOM 912 CA VAL A 59 11.030 0.181 1.365 1.00 0.10 C ATOM 913 C VAL A 59 12.353 0.130 2.115 1.00 0.11 C ATOM 914 O VAL A 59 13.276 -0.549 1.720 1.00 0.12 O ATOM 915 CB VAL A 59 11.189 1.083 0.136 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.860 1.170 -0.616 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.634 2.484 0.577 1.00 0.16 C ATOM 0 H VAL A 59 9.643 1.657 2.051 1.00 0.09 H new ATOM 0 HA VAL A 59 10.726 -0.811 1.030 1.00 0.10 H new ATOM 0 HB VAL A 59 11.945 0.661 -0.526 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.977 1.812 -1.489 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.558 0.173 -0.937 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.097 1.587 0.041 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.746 3.123 -0.299 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.885 2.911 1.244 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.588 2.415 1.100 1.00 0.16 H new ATOM 927 N ASP A 60 12.462 0.877 3.184 1.00 0.10 N ATOM 928 CA ASP A 60 13.741 0.899 3.958 1.00 0.12 C ATOM 929 C ASP A 60 13.752 -0.171 5.065 1.00 0.13 C ATOM 930 O ASP A 60 14.736 -0.860 5.244 1.00 0.15 O ATOM 931 CB ASP A 60 13.910 2.289 4.576 1.00 0.14 C ATOM 932 CG ASP A 60 14.440 3.259 3.518 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.685 3.604 2.627 1.00 1.07 O ATOM 934 OD2 ASP A 60 15.595 3.639 3.616 1.00 1.08 O ATOM 0 H ASP A 60 11.721 1.472 3.555 1.00 0.10 H new ATOM 0 HA ASP A 60 14.566 0.677 3.281 1.00 0.12 H new ATOM 0 HB2 ASP A 60 12.955 2.644 4.964 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.599 2.242 5.419 1.00 0.14 H new ATOM 939 N ASP A 61 12.682 -0.330 5.805 1.00 0.13 N ATOM 940 CA ASP A 61 12.677 -1.370 6.891 1.00 0.15 C ATOM 941 C ASP A 61 12.040 -2.643 6.349 1.00 0.14 C ATOM 942 O ASP A 61 12.212 -3.721 6.883 1.00 0.19 O ATOM 943 CB ASP A 61 11.868 -0.873 8.095 1.00 0.16 C ATOM 944 CG ASP A 61 12.526 0.386 8.663 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.487 0.845 8.069 1.00 1.01 O ATOM 946 OD2 ASP A 61 12.059 0.867 9.681 1.00 1.07 O ATOM 0 H ASP A 61 11.820 0.206 5.709 1.00 0.13 H new ATOM 0 HA ASP A 61 13.701 -1.566 7.209 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.843 -0.657 7.794 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.819 -1.648 8.860 1.00 0.16 H new ATOM 951 N ALA A 62 11.302 -2.514 5.282 1.00 0.11 N ATOM 952 CA ALA A 62 10.634 -3.688 4.653 1.00 0.12 C ATOM 953 C ALA A 62 11.165 -3.813 3.225 1.00 0.11 C ATOM 954 O ALA A 62 10.436 -4.102 2.298 1.00 0.12 O ATOM 955 CB ALA A 62 9.113 -3.464 4.654 1.00 0.14 C ATOM 0 H ALA A 62 11.130 -1.626 4.810 1.00 0.11 H new ATOM 0 HA ALA A 62 10.843 -4.605 5.204 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.619 -4.320 4.195 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.763 -3.350 5.680 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.878 -2.563 4.088 1.00 0.14 H new ATOM 961 N GLN A 63 12.435 -3.565 3.051 1.00 0.11 N ATOM 962 CA GLN A 63 13.042 -3.627 1.692 1.00 0.12 C ATOM 963 C GLN A 63 12.876 -5.030 1.111 1.00 0.12 C ATOM 964 O GLN A 63 12.901 -5.214 -0.087 1.00 0.14 O ATOM 965 CB GLN A 63 14.531 -3.276 1.775 1.00 0.13 C ATOM 966 CG GLN A 63 15.277 -4.358 2.559 1.00 0.15 C ATOM 967 CD GLN A 63 16.696 -3.876 2.859 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.465 -3.614 1.956 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.081 -3.752 4.100 1.00 1.43 N ATOM 0 H GLN A 63 13.083 -3.320 3.800 1.00 0.11 H new ATOM 0 HA GLN A 63 12.538 -2.910 1.044 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.949 -3.187 0.772 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.659 -2.309 2.261 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.751 -4.578 3.488 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.309 -5.283 1.984 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.436 -3.972 4.859 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.027 -3.435 4.311 1.00 1.43 H new ATOM 978 N ASP A 64 12.693 -6.022 1.933 1.00 0.13 N ATOM 979 CA ASP A 64 12.514 -7.388 1.385 1.00 0.13 C ATOM 980 C ASP A 64 11.213 -7.433 0.589 1.00 0.15 C ATOM 981 O ASP A 64 11.132 -8.059 -0.448 1.00 0.16 O ATOM 982 CB ASP A 64 12.467 -8.415 2.527 1.00 0.17 C ATOM 983 CG ASP A 64 11.470 -7.969 3.597 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.335 -7.721 3.249 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.862 -7.893 4.748 1.00 1.02 O ATOM 0 H ASP A 64 12.660 -5.946 2.950 1.00 0.13 H new ATOM 0 HA ASP A 64 13.353 -7.634 0.734 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.180 -9.391 2.136 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.458 -8.526 2.967 1.00 0.17 H new ATOM 990 N VAL A 65 10.194 -6.768 1.059 1.00 0.17 N ATOM 991 CA VAL A 65 8.903 -6.778 0.324 1.00 0.22 C ATOM 992 C VAL A 65 9.034 -5.952 -0.957 1.00 0.22 C ATOM 993 O VAL A 65 8.567 -6.338 -2.009 1.00 0.26 O ATOM 994 CB VAL A 65 7.816 -6.136 1.195 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.447 -6.407 0.574 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.865 -6.702 2.623 1.00 0.32 C ATOM 0 H VAL A 65 10.202 -6.220 1.919 1.00 0.17 H new ATOM 0 HA VAL A 65 8.641 -7.808 0.084 1.00 0.22 H new ATOM 0 HB VAL A 65 7.989 -5.061 1.245 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.671 -5.952 1.190 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.411 -5.980 -0.428 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.280 -7.483 0.516 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.087 -6.235 3.226 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.703 -7.780 2.593 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.840 -6.494 3.064 1.00 0.32 H new ATOM 1006 N ALA A 66 9.647 -4.804 -0.865 1.00 0.19 N ATOM 1007 CA ALA A 66 9.788 -3.938 -2.065 1.00 0.22 C ATOM 1008 C ALA A 66 10.783 -4.554 -3.056 1.00 0.23 C ATOM 1009 O ALA A 66 10.587 -4.506 -4.253 1.00 0.26 O ATOM 1010 CB ALA A 66 10.264 -2.543 -1.635 1.00 0.25 C ATOM 0 H ALA A 66 10.056 -4.430 -0.009 1.00 0.19 H new ATOM 0 HA ALA A 66 8.820 -3.853 -2.559 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.368 -1.907 -2.514 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.535 -2.104 -0.953 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.227 -2.626 -1.132 1.00 0.25 H new ATOM 1016 N SER A 67 11.856 -5.125 -2.573 1.00 0.21 N ATOM 1017 CA SER A 67 12.852 -5.726 -3.506 1.00 0.23 C ATOM 1018 C SER A 67 12.185 -6.838 -4.315 1.00 0.23 C ATOM 1019 O SER A 67 12.492 -7.051 -5.471 1.00 0.24 O ATOM 1020 CB SER A 67 14.021 -6.308 -2.708 1.00 0.23 C ATOM 1021 OG SER A 67 13.540 -7.338 -1.853 1.00 0.22 O ATOM 0 H SER A 67 12.084 -5.200 -1.582 1.00 0.21 H new ATOM 0 HA SER A 67 13.224 -4.956 -4.181 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.777 -6.705 -3.386 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.500 -5.525 -2.120 1.00 0.23 H new ATOM 0 HG SER A 67 12.604 -7.161 -1.622 1.00 0.22 H new ATOM 1027 N GLU A 68 11.263 -7.539 -3.720 1.00 0.23 N ATOM 1028 CA GLU A 68 10.564 -8.627 -4.453 1.00 0.25 C ATOM 1029 C GLU A 68 9.803 -8.027 -5.638 1.00 0.22 C ATOM 1030 O GLU A 68 9.715 -8.617 -6.697 1.00 0.24 O ATOM 1031 CB GLU A 68 9.585 -9.326 -3.503 1.00 0.29 C ATOM 1032 CG GLU A 68 8.922 -10.518 -4.204 1.00 0.32 C ATOM 1033 CD GLU A 68 7.776 -11.045 -3.340 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.511 -10.444 -2.313 1.00 2.06 O ATOM 1035 OE2 GLU A 68 7.183 -12.042 -3.721 1.00 1.96 O ATOM 0 H GLU A 68 10.963 -7.404 -2.754 1.00 0.23 H new ATOM 0 HA GLU A 68 11.288 -9.354 -4.822 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.113 -9.667 -2.612 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.823 -8.621 -3.172 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.545 -10.215 -5.181 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.655 -11.306 -4.375 1.00 0.32 H new ATOM 1042 N ALA A 69 9.231 -6.866 -5.457 1.00 0.20 N ATOM 1043 CA ALA A 69 8.453 -6.227 -6.560 1.00 0.20 C ATOM 1044 C ALA A 69 9.359 -5.351 -7.433 1.00 0.19 C ATOM 1045 O ALA A 69 8.899 -4.734 -8.374 1.00 0.20 O ATOM 1046 CB ALA A 69 7.344 -5.364 -5.958 1.00 0.23 C ATOM 0 H ALA A 69 9.269 -6.331 -4.590 1.00 0.20 H new ATOM 0 HA ALA A 69 8.025 -7.012 -7.184 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.773 -4.895 -6.759 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.682 -5.989 -5.358 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.785 -4.592 -5.327 1.00 0.23 H new ATOM 1052 N GLU A 70 10.630 -5.269 -7.131 1.00 0.18 N ATOM 1053 CA GLU A 70 11.526 -4.411 -7.959 1.00 0.18 C ATOM 1054 C GLU A 70 10.939 -3.009 -8.035 1.00 0.17 C ATOM 1055 O GLU A 70 10.800 -2.446 -9.103 1.00 0.18 O ATOM 1056 CB GLU A 70 11.672 -4.971 -9.382 1.00 0.22 C ATOM 1057 CG GLU A 70 12.471 -6.272 -9.360 1.00 0.24 C ATOM 1058 CD GLU A 70 11.613 -7.404 -8.791 1.00 1.24 C ATOM 1059 OE1 GLU A 70 10.400 -7.283 -8.838 1.00 2.02 O ATOM 1060 OE2 GLU A 70 12.182 -8.375 -8.319 1.00 2.02 O ATOM 0 H GLU A 70 11.081 -5.754 -6.355 1.00 0.18 H new ATOM 0 HA GLU A 70 12.511 -4.391 -7.493 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.687 -5.149 -9.813 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.171 -4.240 -10.018 1.00 0.22 H new ATOM 0 HG2 GLU A 70 12.798 -6.524 -10.369 1.00 0.24 H new ATOM 0 HG3 GLU A 70 13.369 -6.146 -8.756 1.00 0.24 H new ATOM 1067 N VAL A 71 10.582 -2.434 -6.922 1.00 0.15 N ATOM 1068 CA VAL A 71 9.990 -1.073 -6.971 1.00 0.14 C ATOM 1069 C VAL A 71 11.044 -0.107 -7.505 1.00 0.14 C ATOM 1070 O VAL A 71 12.194 -0.143 -7.110 1.00 0.16 O ATOM 1071 CB VAL A 71 9.560 -0.638 -5.566 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.863 0.720 -5.655 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.585 -1.670 -4.981 1.00 0.15 C ATOM 0 H VAL A 71 10.673 -2.843 -5.992 1.00 0.15 H new ATOM 0 HA VAL A 71 9.115 -1.073 -7.620 1.00 0.14 H new ATOM 0 HB VAL A 71 10.437 -0.565 -4.923 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.554 1.036 -4.659 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.551 1.455 -6.072 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.986 0.638 -6.298 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.281 -1.358 -3.982 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.706 -1.744 -5.621 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.075 -2.642 -4.924 1.00 0.15 H new ATOM 1083 N LYS A 72 10.662 0.740 -8.427 1.00 0.15 N ATOM 1084 CA LYS A 72 11.627 1.705 -9.025 1.00 0.16 C ATOM 1085 C LYS A 72 11.377 3.115 -8.480 1.00 0.15 C ATOM 1086 O LYS A 72 12.192 3.999 -8.651 1.00 0.16 O ATOM 1087 CB LYS A 72 11.459 1.705 -10.550 1.00 0.19 C ATOM 1088 CG LYS A 72 11.749 0.303 -11.123 1.00 0.23 C ATOM 1089 CD LYS A 72 13.265 0.073 -11.216 1.00 0.74 C ATOM 1090 CE LYS A 72 13.539 -1.232 -11.968 1.00 0.88 C ATOM 1091 NZ LYS A 72 15.012 -1.440 -12.066 1.00 1.60 N ATOM 0 H LYS A 72 9.712 0.803 -8.793 1.00 0.15 H new ATOM 0 HA LYS A 72 12.642 1.404 -8.764 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.445 2.009 -10.810 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.135 2.434 -10.997 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.296 -0.459 -10.488 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.297 0.205 -12.110 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.739 0.908 -11.731 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.698 0.027 -10.217 1.00 0.74 H new ATOM 0 HE2 LYS A 72 13.075 -2.070 -11.448 1.00 0.88 H new ATOM 0 HE3 LYS A 72 13.098 -1.191 -12.964 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 15.204 -2.326 -12.576 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.442 -0.644 -12.580 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.419 -1.496 -11.111 1.00 1.60 H new ATOM 1105 N ALA A 73 10.271 3.342 -7.821 1.00 0.13 N ATOM 1106 CA ALA A 73 10.020 4.708 -7.279 1.00 0.13 C ATOM 1107 C ALA A 73 8.927 4.683 -6.200 1.00 0.11 C ATOM 1108 O ALA A 73 8.062 3.833 -6.189 1.00 0.12 O ATOM 1109 CB ALA A 73 9.594 5.632 -8.425 1.00 0.14 C ATOM 0 H ALA A 73 9.542 2.653 -7.637 1.00 0.13 H new ATOM 0 HA ALA A 73 10.938 5.077 -6.822 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.409 6.633 -8.036 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.387 5.674 -9.172 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.683 5.247 -8.884 1.00 0.14 H new ATOM 1115 N THR A 74 8.962 5.644 -5.307 1.00 0.11 N ATOM 1116 CA THR A 74 7.938 5.745 -4.222 1.00 0.11 C ATOM 1117 C THR A 74 7.333 7.161 -4.291 1.00 0.12 C ATOM 1118 O THR A 74 7.987 8.068 -4.758 1.00 0.15 O ATOM 1119 CB THR A 74 8.646 5.560 -2.865 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.453 6.695 -2.605 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.529 4.312 -2.900 1.00 0.14 C ATOM 0 H THR A 74 9.672 6.376 -5.286 1.00 0.11 H new ATOM 0 HA THR A 74 7.161 4.989 -4.336 1.00 0.11 H new ATOM 0 HB THR A 74 7.897 5.446 -2.081 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.905 6.584 -1.742 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.025 4.190 -1.937 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.913 3.436 -3.105 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.279 4.419 -3.683 1.00 0.14 H new ATOM 1129 N PRO A 75 6.131 7.383 -3.804 1.00 0.13 N ATOM 1130 CA PRO A 75 5.272 6.322 -3.215 1.00 0.10 C ATOM 1131 C PRO A 75 4.605 5.460 -4.289 1.00 0.09 C ATOM 1132 O PRO A 75 4.192 5.950 -5.322 1.00 0.10 O ATOM 1133 CB PRO A 75 4.249 7.155 -2.423 1.00 0.12 C ATOM 1134 CG PRO A 75 4.252 8.578 -3.007 1.00 0.15 C ATOM 1135 CD PRO A 75 5.545 8.751 -3.823 1.00 0.16 C ATOM 0 HA PRO A 75 5.817 5.601 -2.607 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.256 6.713 -2.498 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.510 7.175 -1.365 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.378 8.733 -3.640 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.203 9.318 -2.209 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.340 9.089 -4.839 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.214 9.484 -3.371 1.00 0.16 H new ATOM 1143 N THR A 76 4.481 4.182 -4.037 1.00 0.09 N ATOM 1144 CA THR A 76 3.825 3.265 -5.023 1.00 0.09 C ATOM 1145 C THR A 76 2.753 2.454 -4.316 1.00 0.10 C ATOM 1146 O THR A 76 2.966 1.926 -3.242 1.00 0.12 O ATOM 1147 CB THR A 76 4.859 2.309 -5.624 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.866 3.056 -6.283 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.175 1.360 -6.617 1.00 0.13 C ATOM 0 H THR A 76 4.808 3.729 -3.184 1.00 0.09 H new ATOM 0 HA THR A 76 3.381 3.861 -5.820 1.00 0.09 H new ATOM 0 HB THR A 76 5.313 1.719 -4.828 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.613 3.211 -5.668 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.916 0.682 -7.041 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.409 0.783 -6.100 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.714 1.940 -7.416 1.00 0.13 H new ATOM 1157 N PHE A 77 1.599 2.357 -4.910 1.00 0.10 N ATOM 1158 CA PHE A 77 0.488 1.575 -4.293 1.00 0.10 C ATOM 1159 C PHE A 77 0.247 0.323 -5.130 1.00 0.10 C ATOM 1160 O PHE A 77 0.098 0.398 -6.332 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.780 2.428 -4.276 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.511 3.671 -3.470 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.695 3.670 -2.081 1.00 0.18 C ATOM 1164 CD2 PHE A 77 -0.069 4.827 -4.118 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.438 4.833 -1.341 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.189 5.989 -3.381 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.004 5.992 -1.992 1.00 0.19 C ATOM 0 H PHE A 77 1.373 2.789 -5.806 1.00 0.10 H new ATOM 0 HA PHE A 77 0.749 1.295 -3.272 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -1.072 2.692 -5.292 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.608 1.867 -3.842 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -1.034 2.775 -1.581 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.074 4.824 -5.189 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.581 4.835 -0.270 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.530 6.882 -3.883 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.202 6.888 -1.423 1.00 0.19 H new ATOM 1177 N GLN A 78 0.183 -0.826 -4.504 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.072 -2.097 -5.257 1.00 0.09 C ATOM 1179 C GLN A 78 -1.337 -2.727 -4.716 1.00 0.08 C ATOM 1180 O GLN A 78 -1.595 -2.718 -3.529 1.00 0.09 O ATOM 1181 CB GLN A 78 1.088 -3.077 -5.075 1.00 0.09 C ATOM 1182 CG GLN A 78 2.315 -2.590 -5.853 1.00 0.12 C ATOM 1183 CD GLN A 78 3.448 -3.611 -5.726 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.204 -4.791 -5.572 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.686 -3.202 -5.774 1.00 0.29 N ATOM 0 H GLN A 78 0.297 -0.941 -3.497 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.172 -1.870 -6.318 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.332 -3.171 -4.017 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.796 -4.067 -5.424 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.058 -2.447 -6.903 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.640 -1.623 -5.469 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.891 -2.211 -5.903 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.449 -3.873 -5.682 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.135 -3.267 -5.587 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.413 -3.898 -5.155 1.00 0.07 C ATOM 1196 C PHE A 79 -3.319 -5.408 -5.261 1.00 0.07 C ATOM 1197 O PHE A 79 -2.905 -5.948 -6.266 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.526 -3.387 -6.056 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.654 -1.908 -5.821 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.769 -1.021 -6.443 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.635 -1.425 -4.956 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.873 0.351 -6.201 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.735 -0.055 -4.708 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.857 0.834 -5.330 1.00 0.12 C ATOM 0 H PHE A 79 -1.957 -3.300 -6.591 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.618 -3.641 -4.116 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.297 -3.591 -7.102 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.465 -3.894 -5.831 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.006 -1.396 -7.109 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.318 -2.111 -4.478 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.195 1.038 -6.685 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.492 0.317 -4.034 1.00 0.14 H new ATOM 0 HZ PHE A 79 -4.937 1.894 -5.139 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.725 -6.090 -4.222 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.696 -7.579 -4.216 1.00 0.08 C ATOM 1216 C PHE A 80 -5.082 -8.094 -3.872 1.00 0.09 C ATOM 1217 O PHE A 80 -5.787 -7.513 -3.071 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.694 -8.076 -3.173 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.292 -7.810 -3.660 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.654 -6.595 -3.366 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.626 -8.791 -4.405 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.649 -6.368 -3.820 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.677 -8.562 -4.857 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.316 -7.351 -4.564 1.00 0.15 C ATOM 0 H PHE A 80 -4.081 -5.669 -3.364 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.395 -7.943 -5.198 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.862 -7.572 -2.221 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.834 -9.143 -2.997 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.167 -5.838 -2.791 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.119 -9.725 -4.631 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.142 -5.434 -3.597 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.190 -9.319 -5.432 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.323 -7.174 -4.911 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.484 -9.186 -4.462 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.829 -9.734 -4.148 1.00 0.12 C ATOM 1236 C LYS A 81 -6.732 -11.253 -4.248 1.00 0.11 C ATOM 1237 O LYS A 81 -6.233 -11.786 -5.219 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.845 -9.184 -5.158 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.261 -9.310 -4.589 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.301 -8.867 -5.641 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.578 -8.343 -4.953 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.506 -6.860 -4.858 1.00 1.68 N ATOM 0 H LYS A 81 -4.942 -9.718 -5.143 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.157 -9.447 -3.149 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.623 -8.140 -5.379 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.771 -9.731 -6.098 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.451 -10.341 -4.292 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.356 -8.697 -3.693 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.877 -8.088 -6.274 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.549 -9.706 -6.291 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -12.460 -8.641 -5.520 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.676 -8.779 -3.959 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -11.666 -6.567 -3.873 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -10.567 -6.538 -5.167 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.235 -6.437 -5.467 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.168 -11.945 -3.238 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.078 -13.432 -3.246 1.00 0.13 C ATOM 1258 C LYS A 82 -5.603 -13.819 -3.370 1.00 0.13 C ATOM 1259 O LYS A 82 -5.268 -14.860 -3.895 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.871 -14.036 -4.417 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.353 -13.678 -4.285 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.179 -14.570 -5.213 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.619 -14.062 -5.258 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.422 -14.919 -6.174 1.00 1.22 N ATOM 0 H LYS A 82 -7.587 -11.543 -2.399 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.506 -13.821 -2.322 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.481 -13.661 -5.363 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.750 -15.119 -4.429 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.679 -13.809 -3.253 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.508 -12.629 -4.538 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.750 -14.567 -6.215 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.156 -15.601 -4.859 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -12.052 -14.076 -4.258 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.640 -13.027 -5.600 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.402 -14.572 -6.204 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -12.013 -14.884 -7.130 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.412 -15.900 -5.829 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.717 -12.981 -2.897 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.265 -13.292 -2.994 1.00 0.16 C ATOM 1280 C GLY A 83 -2.770 -13.057 -4.424 1.00 0.16 C ATOM 1281 O GLY A 83 -1.758 -13.596 -4.828 1.00 0.23 O ATOM 0 H GLY A 83 -4.940 -12.093 -2.447 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.704 -12.666 -2.300 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.087 -14.328 -2.705 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.472 -12.254 -5.196 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.040 -11.981 -6.609 1.00 0.15 C ATOM 1287 C GLN A 84 -2.983 -10.479 -6.884 1.00 0.12 C ATOM 1288 O GLN A 84 -3.861 -9.739 -6.510 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.025 -12.634 -7.583 1.00 0.20 C ATOM 1290 CG GLN A 84 -3.878 -14.157 -7.525 1.00 0.33 C ATOM 1291 CD GLN A 84 -2.561 -14.560 -8.192 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -2.223 -15.726 -8.252 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -1.797 -13.631 -8.696 1.00 2.07 N ATOM 0 H GLN A 84 -4.326 -11.776 -4.908 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.043 -12.399 -6.748 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.046 -12.348 -7.329 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.838 -12.280 -8.597 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -3.894 -14.497 -6.489 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.717 -14.635 -8.031 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -2.082 -12.653 -8.645 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -0.914 -13.882 -9.141 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.960 -10.034 -7.569 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.830 -8.581 -7.892 1.00 0.12 C ATOM 1304 C LYS A 85 -2.766 -8.226 -9.047 1.00 0.14 C ATOM 1305 O LYS A 85 -2.729 -8.838 -10.097 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.384 -8.306 -8.300 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.198 -6.815 -8.576 1.00 0.20 C ATOM 1308 CD LYS A 85 1.269 -6.531 -8.932 1.00 0.28 C ATOM 1309 CE LYS A 85 1.537 -6.868 -10.402 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.909 -6.414 -10.761 1.00 1.82 N ATOM 0 H LYS A 85 -1.203 -10.620 -7.921 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.096 -7.978 -7.024 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.294 -8.626 -7.509 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.131 -8.884 -9.189 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.847 -6.503 -9.394 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.488 -6.235 -7.700 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.499 -5.482 -8.745 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.926 -7.120 -8.292 1.00 0.28 H new ATOM 0 HE2 LYS A 85 1.441 -7.941 -10.566 1.00 1.28 H new ATOM 0 HE3 LYS A 85 0.800 -6.381 -11.040 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 3.099 -6.639 -11.758 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 2.983 -5.387 -10.618 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.604 -6.899 -10.158 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.619 -7.243 -8.851 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.582 -6.836 -9.924 1.00 0.18 C ATOM 1326 C VAL A 86 -4.434 -5.346 -10.255 1.00 0.17 C ATOM 1327 O VAL A 86 -5.241 -4.794 -10.976 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.013 -7.093 -9.443 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.268 -8.600 -9.349 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.199 -6.460 -8.064 1.00 0.26 C ATOM 0 H VAL A 86 -3.688 -6.704 -7.988 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.368 -7.421 -10.819 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.717 -6.655 -10.150 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.288 -8.776 -9.006 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.132 -9.054 -10.331 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.566 -9.044 -8.643 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.216 -6.639 -7.716 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.492 -6.902 -7.362 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.022 -5.386 -8.130 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.433 -4.675 -9.748 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.307 -3.222 -10.083 1.00 0.17 C ATOM 1342 C GLY A 87 -2.119 -2.580 -9.362 1.00 0.12 C ATOM 1343 O GLY A 87 -1.693 -3.023 -8.316 1.00 0.17 O ATOM 0 H GLY A 87 -2.714 -5.055 -9.133 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.186 -3.105 -11.160 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.225 -2.703 -9.807 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.592 -1.522 -9.925 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.442 -0.815 -9.296 1.00 0.13 C ATOM 1349 C GLU A 88 -0.251 0.543 -9.966 1.00 0.11 C ATOM 1350 O GLU A 88 -0.509 0.707 -11.142 1.00 0.14 O ATOM 1351 CB GLU A 88 0.840 -1.644 -9.458 1.00 0.21 C ATOM 1352 CG GLU A 88 2.069 -0.828 -9.011 1.00 0.58 C ATOM 1353 CD GLU A 88 3.322 -1.700 -9.098 1.00 1.13 C ATOM 1354 OE1 GLU A 88 3.192 -2.906 -8.958 1.00 1.87 O ATOM 1355 OE2 GLU A 88 4.390 -1.148 -9.308 1.00 1.93 O ATOM 0 H GLU A 88 -1.915 -1.116 -10.803 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.648 -0.678 -8.235 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.767 -2.557 -8.867 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.956 -1.947 -10.499 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.182 0.053 -9.642 1.00 0.58 H new ATOM 0 HG3 GLU A 88 1.931 -0.473 -7.990 1.00 0.58 H new ATOM 1362 N PHE A 89 0.248 1.503 -9.241 1.00 0.10 N ATOM 1363 CA PHE A 89 0.514 2.832 -9.871 1.00 0.09 C ATOM 1364 C PHE A 89 1.434 3.642 -8.962 1.00 0.10 C ATOM 1365 O PHE A 89 1.589 3.340 -7.797 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.786 3.604 -10.116 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.409 4.069 -8.818 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.935 5.231 -8.200 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.484 3.373 -8.259 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.536 5.703 -7.026 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.081 3.837 -7.078 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.609 5.006 -6.462 1.00 0.14 C ATOM 0 H PHE A 89 0.482 1.431 -8.251 1.00 0.10 H new ATOM 0 HA PHE A 89 0.992 2.668 -10.837 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.584 4.465 -10.753 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.491 2.969 -10.652 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.102 5.767 -8.630 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.855 2.478 -8.736 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.171 6.605 -6.557 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.906 3.293 -6.642 1.00 0.13 H new ATOM 0 HZ PHE A 89 -3.073 5.366 -5.556 1.00 0.14 H new ATOM 1382 N SER A 90 2.062 4.663 -9.497 1.00 0.10 N ATOM 1383 CA SER A 90 2.992 5.507 -8.685 1.00 0.10 C ATOM 1384 C SER A 90 2.591 6.968 -8.808 1.00 0.09 C ATOM 1385 O SER A 90 1.907 7.366 -9.729 1.00 0.11 O ATOM 1386 CB SER A 90 4.422 5.353 -9.196 1.00 0.11 C ATOM 1387 OG SER A 90 4.479 5.760 -10.557 1.00 0.12 O ATOM 0 H SER A 90 1.968 4.949 -10.472 1.00 0.10 H new ATOM 0 HA SER A 90 2.936 5.186 -7.645 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.102 5.956 -8.595 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.745 4.317 -9.100 1.00 0.11 H new ATOM 0 HG SER A 90 5.396 5.664 -10.889 1.00 0.12 H new ATOM 1393 N GLY A 91 3.024 7.768 -7.874 1.00 0.09 N ATOM 1394 CA GLY A 91 2.696 9.225 -7.898 1.00 0.09 C ATOM 1395 C GLY A 91 1.976 9.590 -6.606 1.00 0.10 C ATOM 1396 O GLY A 91 1.194 8.819 -6.084 1.00 0.12 O ATOM 0 H GLY A 91 3.598 7.473 -7.085 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.607 9.815 -8.002 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.067 9.456 -8.758 1.00 0.09 H new ATOM 1400 N ALA A 92 2.236 10.750 -6.073 1.00 0.11 N ATOM 1401 CA ALA A 92 1.566 11.142 -4.803 1.00 0.14 C ATOM 1402 C ALA A 92 0.137 11.616 -5.085 1.00 0.13 C ATOM 1403 O ALA A 92 -0.186 12.774 -4.901 1.00 0.17 O ATOM 1404 CB ALA A 92 2.362 12.283 -4.167 1.00 0.18 C ATOM 0 H ALA A 92 2.880 11.440 -6.459 1.00 0.11 H new ATOM 0 HA ALA A 92 1.525 10.285 -4.131 1.00 0.14 H new ATOM 0 HB1 ALA A 92 1.885 12.584 -3.234 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.379 11.948 -3.963 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.390 13.132 -4.850 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.733 10.722 -5.504 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.155 11.107 -5.774 1.00 0.14 C ATOM 1412 C ASN A 93 -3.061 10.288 -4.852 1.00 0.13 C ATOM 1413 O ASN A 93 -3.386 9.154 -5.135 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.500 10.800 -7.234 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.860 11.417 -7.584 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.363 11.230 -8.675 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.480 12.154 -6.702 1.00 0.75 N ATOM 0 H ASN A 93 -0.516 9.739 -5.670 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.297 12.172 -5.591 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.728 11.200 -7.892 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.527 9.722 -7.393 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.383 12.570 -6.929 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -4.061 12.313 -5.786 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.465 10.848 -3.747 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.341 10.093 -2.803 1.00 0.15 C ATOM 1426 C LYS A 94 -5.735 9.862 -3.399 1.00 0.15 C ATOM 1427 O LYS A 94 -6.343 8.833 -3.188 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.459 10.895 -1.505 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.840 12.376 -1.793 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.641 13.296 -1.496 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.072 14.758 -1.584 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.922 15.637 -1.215 1.00 1.06 N ATOM 0 H LYS A 94 -3.228 11.796 -3.455 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.897 9.116 -2.611 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.212 10.441 -0.861 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.513 10.858 -0.964 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.144 12.486 -2.834 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.693 12.667 -1.179 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.246 13.084 -0.502 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.838 13.101 -2.207 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.411 14.989 -2.594 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.913 14.941 -0.916 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.214 16.633 -1.274 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.619 15.422 -0.244 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.132 15.468 -1.870 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.241 10.797 -4.148 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.589 10.619 -4.753 1.00 0.15 C ATOM 1448 C GLU A 95 -7.569 9.410 -5.692 1.00 0.15 C ATOM 1449 O GLU A 95 -8.565 8.744 -5.893 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.936 11.867 -5.561 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.993 13.078 -4.631 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.219 12.975 -3.727 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.044 12.109 -3.975 1.00 1.55 O ATOM 1454 OE2 GLU A 95 -9.314 13.761 -2.799 1.00 1.61 O ATOM 0 H GLU A 95 -5.779 11.679 -4.369 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.328 10.462 -3.967 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.190 12.028 -6.339 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.895 11.734 -6.061 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -7.087 13.128 -4.027 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.037 13.996 -5.216 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.438 9.142 -6.274 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.315 7.996 -7.216 1.00 0.15 C ATOM 1463 C LYS A 96 -6.596 6.697 -6.472 1.00 0.14 C ATOM 1464 O LYS A 96 -7.143 5.763 -7.021 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.896 7.979 -7.765 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.779 6.989 -8.927 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.466 7.252 -9.671 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.343 6.304 -10.867 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.103 6.628 -11.629 1.00 1.45 N ATOM 0 H LYS A 96 -5.580 9.675 -6.136 1.00 0.14 H new ATOM 0 HA LYS A 96 -7.030 8.097 -8.033 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.619 8.978 -8.102 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.198 7.704 -6.974 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.803 5.965 -8.554 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.625 7.101 -9.605 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.432 8.287 -10.012 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.622 7.111 -8.996 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.313 5.270 -10.524 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.216 6.400 -11.513 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.017 5.985 -12.442 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.150 7.610 -11.968 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.275 6.515 -11.010 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.232 6.631 -5.223 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.495 5.393 -4.451 1.00 0.13 C ATOM 1485 C LEU A 97 -7.996 5.146 -4.457 1.00 0.14 C ATOM 1486 O LEU A 97 -8.462 4.030 -4.559 1.00 0.15 O ATOM 1487 CB LEU A 97 -6.058 5.590 -2.990 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.540 5.464 -2.845 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.131 5.954 -1.450 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -4.104 3.996 -3.030 1.00 0.19 C ATOM 0 H LEU A 97 -5.766 7.378 -4.708 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.949 4.560 -4.894 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.379 6.571 -2.641 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.549 4.850 -2.358 1.00 0.13 H new ATOM 0 HG LEU A 97 -4.053 6.069 -3.609 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -3.050 5.868 -1.337 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.427 6.996 -1.329 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.625 5.346 -0.692 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -3.022 3.922 -2.924 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.586 3.375 -2.275 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.396 3.652 -4.022 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.755 6.191 -4.329 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.236 6.021 -4.287 1.00 0.15 C ATOM 1504 C GLU A 98 -10.748 5.390 -5.577 1.00 0.16 C ATOM 1505 O GLU A 98 -11.591 4.517 -5.557 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.911 7.381 -4.105 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.422 7.178 -3.914 1.00 0.21 C ATOM 1508 CD GLU A 98 -13.109 8.539 -3.795 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.414 9.540 -3.860 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -14.318 8.557 -3.642 1.00 2.00 O ATOM 0 H GLU A 98 -8.422 7.152 -4.252 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.476 5.367 -3.449 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.490 7.896 -3.242 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.724 8.011 -4.974 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.834 6.623 -4.757 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.610 6.585 -3.019 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.275 5.833 -6.700 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.787 5.258 -7.972 1.00 0.17 C ATOM 1519 C ALA A 99 -10.348 3.804 -8.123 1.00 0.16 C ATOM 1520 O ALA A 99 -11.132 2.959 -8.497 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.270 6.080 -9.153 1.00 0.19 C ATOM 0 H ALA A 99 -9.565 6.559 -6.796 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.876 5.290 -7.954 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.647 5.656 -10.084 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.614 7.110 -9.058 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.180 6.061 -9.160 1.00 0.19 H new ATOM 1527 N THR A 100 -9.112 3.495 -7.853 1.00 0.16 N ATOM 1528 CA THR A 100 -8.668 2.084 -8.010 1.00 0.16 C ATOM 1529 C THR A 100 -9.419 1.210 -7.003 1.00 0.15 C ATOM 1530 O THR A 100 -9.865 0.125 -7.318 1.00 0.15 O ATOM 1531 CB THR A 100 -7.165 1.991 -7.757 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.497 2.977 -8.531 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.668 0.607 -8.173 1.00 0.20 C ATOM 0 H THR A 100 -8.398 4.149 -7.534 1.00 0.16 H new ATOM 0 HA THR A 100 -8.880 1.739 -9.022 1.00 0.16 H new ATOM 0 HB THR A 100 -6.962 2.153 -6.698 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.532 2.921 -8.370 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.595 0.537 -7.994 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.184 -0.155 -7.590 1.00 0.20 H new ATOM 0 HG23 THR A 100 -6.870 0.451 -9.233 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.592 1.698 -5.802 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.349 0.923 -4.771 1.00 0.13 C ATOM 1543 C ILE A 101 -11.783 0.791 -5.257 1.00 0.14 C ATOM 1544 O ILE A 101 -12.362 -0.272 -5.264 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.327 1.701 -3.449 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -8.913 1.661 -2.855 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.319 1.084 -2.456 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -8.788 2.684 -1.721 1.00 0.16 C ATOM 0 H ILE A 101 -9.241 2.603 -5.489 1.00 0.14 H new ATOM 0 HA ILE A 101 -9.906 -0.061 -4.616 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.615 2.735 -3.640 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.697 0.661 -2.479 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.178 1.875 -3.631 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.295 1.645 -1.521 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.324 1.121 -2.875 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.044 0.047 -2.264 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -7.780 2.647 -1.307 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -8.984 3.683 -2.109 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.511 2.450 -0.939 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.343 1.884 -5.681 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.729 1.878 -6.201 1.00 0.20 C ATOM 1562 C ASN A 102 -13.791 0.938 -7.403 1.00 0.19 C ATOM 1563 O ASN A 102 -14.772 0.266 -7.641 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.096 3.306 -6.635 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.588 3.396 -6.955 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.045 4.370 -7.519 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.367 2.420 -6.613 1.00 0.55 N ATOM 0 H ASN A 102 -11.888 2.797 -5.688 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.428 1.540 -5.436 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -13.844 4.010 -5.842 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.512 3.589 -7.511 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.365 2.469 -6.817 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -15.982 1.602 -6.139 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.747 0.920 -8.177 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.718 0.062 -9.388 1.00 0.18 C ATOM 1576 C GLU A 103 -12.655 -1.419 -8.995 1.00 0.16 C ATOM 1577 O GLU A 103 -13.281 -2.262 -9.607 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.454 0.408 -10.178 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.499 -0.255 -11.556 1.00 0.21 C ATOM 1580 CD GLU A 103 -12.533 0.459 -12.432 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -12.252 1.568 -12.858 1.00 2.04 O ATOM 1582 OE2 GLU A 103 -13.585 -0.113 -12.663 1.00 2.21 O ATOM 0 H GLU A 103 -11.902 1.470 -8.020 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.618 0.234 -9.978 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.369 1.489 -10.288 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.572 0.073 -9.633 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -10.516 -0.210 -12.025 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -11.757 -1.309 -11.456 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.884 -1.744 -7.985 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.744 -3.175 -7.562 1.00 0.14 C ATOM 1591 C LEU A 104 -12.656 -3.503 -6.370 1.00 0.13 C ATOM 1592 O LEU A 104 -12.704 -4.635 -5.930 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.288 -3.437 -7.160 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.352 -3.192 -8.352 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.904 -3.377 -7.895 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.671 -4.178 -9.493 1.00 0.25 C ATOM 0 H LEU A 104 -11.344 -1.078 -7.433 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.035 -3.808 -8.400 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.010 -2.786 -6.331 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.180 -4.463 -6.809 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.495 -2.177 -8.722 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.232 -3.205 -8.736 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.680 -2.666 -7.100 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.767 -4.392 -7.523 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -9.000 -3.993 -10.332 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.536 -5.200 -9.139 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.703 -4.039 -9.816 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.376 -2.552 -5.832 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.257 -2.885 -4.668 1.00 0.15 C ATOM 1610 C VAL A 105 -15.354 -3.851 -5.124 1.00 0.16 C ATOM 1611 O VAL A 105 -15.635 -3.878 -6.310 1.00 1.08 O ATOM 1612 CB VAL A 105 -14.910 -1.619 -4.089 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -15.991 -1.093 -5.046 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.546 -1.961 -2.733 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.893 -4.548 -4.278 1.00 1.08 O ATOM 0 H VAL A 105 -13.395 -1.579 -6.138 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.644 -3.345 -3.893 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.151 -0.848 -3.961 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.445 -0.197 -4.624 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.539 -0.852 -6.008 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.756 -1.857 -5.185 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.012 -1.069 -2.314 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.302 -2.735 -2.870 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.776 -2.323 -2.051 1.00 0.19 H new ATOM 1683 N LYS B 63 7.032 14.914 -5.787 1.00 0.19 N ATOM 1684 CA LYS B 63 5.863 13.991 -5.794 1.00 0.14 C ATOM 1685 C LYS B 63 6.375 12.548 -5.781 1.00 0.12 C ATOM 1686 O LYS B 63 5.647 11.627 -5.456 1.00 0.12 O ATOM 1687 CB LYS B 63 5.039 14.220 -7.068 1.00 0.17 C ATOM 1688 CG LYS B 63 4.534 15.671 -7.136 1.00 0.20 C ATOM 1689 CD LYS B 63 3.582 15.975 -5.973 1.00 0.40 C ATOM 1690 CE LYS B 63 2.746 17.220 -6.299 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.762 17.456 -5.205 1.00 1.31 N ATOM 0 HA LYS B 63 5.240 14.177 -4.919 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.648 14.000 -7.945 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.192 13.534 -7.088 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.381 16.357 -7.107 1.00 0.20 H new ATOM 0 HG3 LYS B 63 4.022 15.838 -8.084 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.927 15.122 -5.794 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.151 16.137 -5.058 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.395 18.088 -6.412 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.226 17.084 -7.248 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 1.195 18.299 -5.424 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 1.136 16.630 -5.117 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 2.268 17.603 -4.308 1.00 1.31 H new ATOM 1705 N ILE B 64 7.621 12.356 -6.157 1.00 0.11 N ATOM 1706 CA ILE B 64 8.237 10.982 -6.186 1.00 0.11 C ATOM 1707 C ILE B 64 9.591 11.013 -5.450 1.00 0.10 C ATOM 1708 O ILE B 64 10.358 11.944 -5.608 1.00 0.11 O ATOM 1709 CB ILE B 64 8.498 10.562 -7.644 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.175 10.369 -8.402 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.308 9.259 -7.678 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.294 9.323 -7.706 1.00 0.15 C ATOM 0 H ILE B 64 8.249 13.105 -6.450 1.00 0.11 H new ATOM 0 HA ILE B 64 7.556 10.279 -5.706 1.00 0.11 H new ATOM 0 HB ILE B 64 9.066 11.355 -8.132 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.643 11.318 -8.460 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.380 10.055 -9.426 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.488 8.969 -8.713 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.262 9.410 -7.172 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.750 8.471 -7.172 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.363 9.204 -8.261 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.820 8.369 -7.671 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.072 9.652 -6.691 1.00 0.15 H new ATOM 1724 N CYS B 65 9.917 9.991 -4.682 1.00 0.09 N ATOM 1725 CA CYS B 65 11.250 9.957 -3.993 1.00 0.10 C ATOM 1726 C CYS B 65 12.156 9.024 -4.822 1.00 0.10 C ATOM 1727 O CYS B 65 11.761 7.934 -5.184 1.00 0.11 O ATOM 1728 CB CYS B 65 11.118 9.413 -2.553 1.00 0.10 C ATOM 1729 SG CYS B 65 9.609 10.047 -1.765 1.00 0.19 S ATOM 0 H CYS B 65 9.318 9.184 -4.505 1.00 0.09 H new ATOM 0 HA CYS B 65 11.665 10.962 -3.924 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.095 8.323 -2.571 1.00 0.10 H new ATOM 0 HB3 CYS B 65 11.990 9.704 -1.967 1.00 0.10 H new ATOM 1734 N SER B 66 13.343 9.450 -5.164 1.00 0.12 N ATOM 1735 CA SER B 66 14.231 8.583 -6.014 1.00 0.14 C ATOM 1736 C SER B 66 14.968 7.534 -5.170 1.00 0.14 C ATOM 1737 O SER B 66 15.361 7.784 -4.048 1.00 0.15 O ATOM 1738 CB SER B 66 15.263 9.464 -6.720 1.00 0.18 C ATOM 1739 OG SER B 66 14.590 10.411 -7.540 1.00 0.20 O ATOM 0 H SER B 66 13.739 10.351 -4.898 1.00 0.12 H new ATOM 0 HA SER B 66 13.605 8.063 -6.739 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.883 9.978 -5.985 1.00 0.18 H new ATOM 0 HB3 SER B 66 15.929 8.850 -7.326 1.00 0.18 H new ATOM 0 HG SER B 66 15.249 10.978 -7.993 1.00 0.20 H new ATOM 1745 N TRP B 67 15.185 6.363 -5.727 1.00 0.15 N ATOM 1746 CA TRP B 67 15.917 5.291 -4.981 1.00 0.16 C ATOM 1747 C TRP B 67 17.422 5.554 -5.052 1.00 0.19 C ATOM 1748 O TRP B 67 18.189 5.030 -4.267 1.00 0.21 O ATOM 1749 CB TRP B 67 15.600 3.915 -5.584 1.00 0.16 C ATOM 1750 CG TRP B 67 14.184 3.565 -5.264 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.112 4.288 -5.645 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.666 2.437 -4.501 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.970 3.673 -5.170 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.264 2.535 -4.453 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.273 1.349 -3.851 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.491 1.593 -3.783 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.498 0.396 -3.176 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.109 0.522 -3.139 1.00 0.16 C ATOM 0 H TRP B 67 14.885 6.105 -6.667 1.00 0.15 H new ATOM 0 HA TRP B 67 15.596 5.300 -3.939 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.750 3.932 -6.663 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.276 3.161 -5.180 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.141 5.198 -6.226 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.024 4.020 -5.331 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.348 1.246 -3.872 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.416 1.691 -3.762 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.977 -0.437 -2.684 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.513 -0.209 -2.612 1.00 0.16 H new ATOM 1769 N ASN B 68 17.854 6.371 -5.976 1.00 0.23 N ATOM 1770 CA ASN B 68 19.311 6.668 -6.083 1.00 0.27 C ATOM 1771 C ASN B 68 19.788 7.194 -4.738 1.00 0.26 C ATOM 1772 O ASN B 68 20.970 7.316 -4.479 1.00 0.30 O ATOM 1773 CB ASN B 68 19.533 7.747 -7.142 1.00 0.34 C ATOM 1774 CG ASN B 68 19.230 7.170 -8.523 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.476 7.808 -9.526 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.702 5.982 -8.615 1.00 0.40 N ATOM 0 H ASN B 68 17.262 6.844 -6.659 1.00 0.23 H new ATOM 0 HA ASN B 68 19.859 5.767 -6.361 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.889 8.604 -6.944 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.562 8.105 -7.103 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.494 5.586 -9.532 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.497 5.448 -7.770 1.00 0.40 H new