USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 482 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.796 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -120:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.627 USER MOD Single : A 11 GLN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00142 USER MOD Single : A 16 TYR OH : rot 180:sc= -1.73 USER MOD Single : A 19 GLN : amide:sc= -0.402 K(o=-0.4,f=-3.1!) USER MOD Single : A 20 ASN : amide:sc= -0.0817 X(o=-0.082,f=-0.067) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -36:sc= -2.97! USER MOD Single : A 53 MET CE :methyl -171:sc= -1.14 (180deg=-1.52) USER MOD Single : A 56 SER OG : rot 158:sc= 0.208 USER MOD Single : A 57 ASN : amide:sc= -0.9 K(o=-0.9,f=-2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 34:sc= 0.489 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.199 -10.139 -9.907 1.00 0.00 N ATOM 2 CA GLY A 1 -11.665 -8.858 -9.403 1.00 0.00 C ATOM 3 C GLY A 1 -11.835 -8.896 -7.883 1.00 0.00 C ATOM 4 O GLY A 1 -10.895 -8.614 -7.142 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.092 -10.087 -10.940 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.282 -10.369 -9.475 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.890 -10.878 -9.667 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.955 -8.077 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.615 -8.602 -9.872 1.00 0.00 H new ATOM 8 N SER A 2 -13.042 -9.247 -7.464 1.00 0.00 N ATOM 9 CA SER A 2 -13.348 -9.326 -6.046 1.00 0.00 C ATOM 10 C SER A 2 -14.228 -10.546 -5.767 1.00 0.00 C ATOM 11 O SER A 2 -14.989 -10.978 -6.632 1.00 0.00 O ATOM 12 CB SER A 2 -14.040 -8.051 -5.560 1.00 0.00 C ATOM 13 OG SER A 2 -14.682 -8.238 -4.302 1.00 0.00 O ATOM 0 H SER A 2 -13.820 -9.480 -8.082 1.00 0.00 H new ATOM 0 HA SER A 2 -12.411 -9.430 -5.500 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.306 -7.249 -5.477 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.776 -7.734 -6.299 1.00 0.00 H new ATOM 0 HG SER A 2 -15.110 -7.401 -4.026 1.00 0.00 H new ATOM 19 N SER A 3 -14.095 -11.068 -4.557 1.00 0.00 N ATOM 20 CA SER A 3 -14.868 -12.230 -4.153 1.00 0.00 C ATOM 21 C SER A 3 -15.131 -12.186 -2.647 1.00 0.00 C ATOM 22 O SER A 3 -14.461 -12.872 -1.876 1.00 0.00 O ATOM 23 CB SER A 3 -14.149 -13.528 -4.529 1.00 0.00 C ATOM 24 OG SER A 3 -15.064 -14.568 -4.862 1.00 0.00 O ATOM 0 H SER A 3 -13.463 -10.707 -3.842 1.00 0.00 H new ATOM 0 HA SER A 3 -15.821 -12.208 -4.682 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.487 -13.344 -5.375 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.522 -13.849 -3.697 1.00 0.00 H new ATOM 0 HG SER A 3 -14.566 -15.379 -5.098 1.00 0.00 H new ATOM 30 N GLY A 4 -16.109 -11.374 -2.272 1.00 0.00 N ATOM 31 CA GLY A 4 -16.469 -11.232 -0.872 1.00 0.00 C ATOM 32 C GLY A 4 -15.487 -10.310 -0.144 1.00 0.00 C ATOM 33 O GLY A 4 -15.841 -9.194 0.232 1.00 0.00 O ATOM 0 H GLY A 4 -16.663 -10.808 -2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.479 -10.830 -0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.477 -12.211 -0.394 1.00 0.00 H new ATOM 37 N SER A 5 -14.274 -10.812 0.032 1.00 0.00 N ATOM 38 CA SER A 5 -13.239 -10.048 0.708 1.00 0.00 C ATOM 39 C SER A 5 -12.129 -9.683 -0.279 1.00 0.00 C ATOM 40 O SER A 5 -11.167 -10.433 -0.441 1.00 0.00 O ATOM 41 CB SER A 5 -12.663 -10.828 1.891 1.00 0.00 C ATOM 42 OG SER A 5 -13.549 -10.839 3.007 1.00 0.00 O ATOM 0 H SER A 5 -13.984 -11.738 -0.282 1.00 0.00 H new ATOM 0 HA SER A 5 -13.687 -9.133 1.095 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.456 -11.853 1.583 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.712 -10.386 2.188 1.00 0.00 H new ATOM 0 HG SER A 5 -13.145 -11.348 3.740 1.00 0.00 H new ATOM 48 N SER A 6 -12.299 -8.533 -0.913 1.00 0.00 N ATOM 49 CA SER A 6 -11.323 -8.060 -1.880 1.00 0.00 C ATOM 50 C SER A 6 -10.855 -6.652 -1.506 1.00 0.00 C ATOM 51 O SER A 6 -11.640 -5.705 -1.534 1.00 0.00 O ATOM 52 CB SER A 6 -11.902 -8.068 -3.297 1.00 0.00 C ATOM 53 OG SER A 6 -10.960 -7.607 -4.261 1.00 0.00 O ATOM 0 H SER A 6 -13.098 -7.914 -0.776 1.00 0.00 H new ATOM 0 HA SER A 6 -10.469 -8.737 -1.862 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.218 -9.079 -3.554 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.791 -7.438 -3.329 1.00 0.00 H new ATOM 0 HG SER A 6 -11.318 -6.816 -4.716 1.00 0.00 H new ATOM 59 N GLY A 7 -9.579 -6.558 -1.164 1.00 0.00 N ATOM 60 CA GLY A 7 -8.997 -5.282 -0.785 1.00 0.00 C ATOM 61 C GLY A 7 -8.295 -5.381 0.571 1.00 0.00 C ATOM 62 O GLY A 7 -8.873 -5.033 1.600 1.00 0.00 O ATOM 0 H GLY A 7 -8.931 -7.345 -1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.284 -4.963 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.777 -4.522 -0.740 1.00 0.00 H new ATOM 66 N ARG A 8 -7.059 -5.856 0.528 1.00 0.00 N ATOM 67 CA ARG A 8 -6.273 -6.005 1.741 1.00 0.00 C ATOM 68 C ARG A 8 -5.712 -4.651 2.180 1.00 0.00 C ATOM 69 O ARG A 8 -5.061 -3.961 1.396 1.00 0.00 O ATOM 70 CB ARG A 8 -5.116 -6.984 1.530 1.00 0.00 C ATOM 71 CG ARG A 8 -5.624 -8.332 1.015 1.00 0.00 C ATOM 72 CD ARG A 8 -4.465 -9.303 0.782 1.00 0.00 C ATOM 73 NE ARG A 8 -4.656 -10.524 1.596 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.021 -11.682 1.372 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.150 -11.785 0.359 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.257 -12.739 2.162 1.00 0.00 N ATOM 0 H ARG A 8 -6.583 -6.143 -0.327 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.931 -6.398 2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.405 -6.564 0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.581 -7.128 2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.322 -8.760 1.734 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.173 -8.186 0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.407 -9.566 -0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.521 -8.825 1.044 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.312 -10.481 2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.970 -10.981 -0.242 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.667 -12.667 0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.920 -12.661 2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.774 -13.621 1.992 1.00 0.00 H new ATOM 90 N ARG A 9 -5.987 -4.310 3.430 1.00 0.00 N ATOM 91 CA ARG A 9 -5.518 -3.050 3.983 1.00 0.00 C ATOM 92 C ARG A 9 -4.154 -3.238 4.649 1.00 0.00 C ATOM 93 O ARG A 9 -3.966 -4.164 5.437 1.00 0.00 O ATOM 94 CB ARG A 9 -6.508 -2.497 5.009 1.00 0.00 C ATOM 95 CG ARG A 9 -7.777 -1.983 4.326 1.00 0.00 C ATOM 96 CD ARG A 9 -8.937 -1.893 5.320 1.00 0.00 C ATOM 97 NE ARG A 9 -10.118 -2.605 4.785 1.00 0.00 N ATOM 98 CZ ARG A 9 -11.159 -3.000 5.531 1.00 0.00 C ATOM 99 NH1 ARG A 9 -11.171 -2.754 6.848 1.00 0.00 N ATOM 100 NH2 ARG A 9 -12.188 -3.640 4.959 1.00 0.00 N ATOM 0 H ARG A 9 -6.529 -4.884 4.076 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.429 -2.339 3.161 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.767 -3.276 5.726 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.041 -1.689 5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.588 -1.001 3.892 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.047 -2.648 3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.642 -2.327 6.276 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.186 -0.848 5.508 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.142 -2.808 3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.388 -2.266 7.283 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.963 -3.055 7.416 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.179 -3.826 3.956 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.980 -3.941 5.526 1.00 0.00 H new ATOM 114 N CYS A 10 -3.237 -2.344 4.309 1.00 0.00 N ATOM 115 CA CYS A 10 -1.895 -2.400 4.864 1.00 0.00 C ATOM 116 C CYS A 10 -1.487 -0.984 5.277 1.00 0.00 C ATOM 117 O CYS A 10 -1.906 -0.008 4.657 1.00 0.00 O ATOM 118 CB CYS A 10 -0.900 -3.016 3.879 1.00 0.00 C ATOM 119 SG CYS A 10 -1.570 -4.582 3.210 1.00 0.00 S ATOM 0 H CYS A 10 -3.397 -1.577 3.656 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.888 -3.050 5.739 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.702 -2.318 3.065 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.051 -3.202 4.378 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.718 -5.096 2.373 1.00 0.00 H new ATOM 125 N GLN A 11 -0.675 -0.917 6.321 1.00 0.00 N ATOM 126 CA GLN A 11 -0.206 0.363 6.824 1.00 0.00 C ATOM 127 C GLN A 11 1.212 0.644 6.321 1.00 0.00 C ATOM 128 O GLN A 11 2.005 -0.279 6.141 1.00 0.00 O ATOM 129 CB GLN A 11 -0.263 0.406 8.352 1.00 0.00 C ATOM 130 CG GLN A 11 -0.323 1.849 8.858 1.00 0.00 C ATOM 131 CD GLN A 11 -1.048 1.928 10.203 1.00 0.00 C ATOM 132 OE1 GLN A 11 -0.796 1.163 11.119 1.00 0.00 O ATOM 133 NE2 GLN A 11 -1.958 2.895 10.271 1.00 0.00 N ATOM 0 H GLN A 11 -0.329 -1.729 6.833 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.867 1.143 6.446 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.137 -0.143 8.702 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.613 -0.092 8.766 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.688 2.244 8.962 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.836 2.474 8.127 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.119 3.501 9.466 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.495 3.031 11.128 1.00 0.00 H new ATOM 142 N VAL A 12 1.487 1.922 6.107 1.00 0.00 N ATOM 143 CA VAL A 12 2.795 2.336 5.628 1.00 0.00 C ATOM 144 C VAL A 12 3.684 2.686 6.823 1.00 0.00 C ATOM 145 O VAL A 12 3.379 3.607 7.579 1.00 0.00 O ATOM 146 CB VAL A 12 2.647 3.490 4.635 1.00 0.00 C ATOM 147 CG1 VAL A 12 4.001 4.141 4.344 1.00 0.00 C ATOM 148 CG2 VAL A 12 1.977 3.018 3.342 1.00 0.00 C ATOM 0 H VAL A 12 0.826 2.685 6.256 1.00 0.00 H new ATOM 0 HA VAL A 12 3.280 1.522 5.090 1.00 0.00 H new ATOM 0 HB VAL A 12 2.004 4.243 5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.867 4.958 3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.424 4.530 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.677 3.399 3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.884 3.858 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.583 2.237 2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.987 2.623 3.569 1.00 0.00 H new ATOM 158 N ALA A 13 4.765 1.932 6.957 1.00 0.00 N ATOM 159 CA ALA A 13 5.700 2.151 8.047 1.00 0.00 C ATOM 160 C ALA A 13 6.769 3.152 7.603 1.00 0.00 C ATOM 161 O ALA A 13 7.422 3.779 8.436 1.00 0.00 O ATOM 162 CB ALA A 13 6.300 0.813 8.482 1.00 0.00 C ATOM 0 H ALA A 13 5.014 1.168 6.328 1.00 0.00 H new ATOM 0 HA ALA A 13 5.189 2.576 8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.002 0.978 9.300 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.503 0.148 8.816 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.823 0.358 7.641 1.00 0.00 H new ATOM 168 N PHE A 14 6.915 3.270 6.291 1.00 0.00 N ATOM 169 CA PHE A 14 7.893 4.184 5.727 1.00 0.00 C ATOM 170 C PHE A 14 7.280 5.016 4.599 1.00 0.00 C ATOM 171 O PHE A 14 6.797 4.467 3.609 1.00 0.00 O ATOM 172 CB PHE A 14 9.026 3.329 5.155 1.00 0.00 C ATOM 173 CG PHE A 14 9.397 2.126 6.025 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.691 0.969 5.921 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.433 2.215 6.901 1.00 0.00 C ATOM 176 CE1 PHE A 14 9.035 -0.148 6.728 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.778 1.098 7.709 1.00 0.00 C ATOM 178 CZ PHE A 14 10.071 -0.059 7.605 1.00 0.00 C ATOM 0 H PHE A 14 6.372 2.748 5.603 1.00 0.00 H new ATOM 0 HA PHE A 14 8.248 4.870 6.496 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.736 2.974 4.166 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.909 3.955 5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.868 0.899 5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.994 3.134 6.983 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.474 -1.067 6.645 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.601 1.168 8.405 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.332 -0.908 8.219 1.00 0.00 H new ATOM 188 N SER A 15 7.318 6.327 4.785 1.00 0.00 N ATOM 189 CA SER A 15 6.772 7.241 3.796 1.00 0.00 C ATOM 190 C SER A 15 7.535 7.101 2.477 1.00 0.00 C ATOM 191 O SER A 15 8.765 7.064 2.469 1.00 0.00 O ATOM 192 CB SER A 15 6.827 8.687 4.291 1.00 0.00 C ATOM 193 OG SER A 15 8.081 8.997 4.893 1.00 0.00 O ATOM 0 H SER A 15 7.719 6.779 5.607 1.00 0.00 H new ATOM 0 HA SER A 15 5.726 6.982 3.632 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.649 9.364 3.455 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.027 8.854 5.012 1.00 0.00 H new ATOM 0 HG SER A 15 8.077 9.929 5.195 1.00 0.00 H new ATOM 199 N TYR A 16 6.775 7.028 1.395 1.00 0.00 N ATOM 200 CA TYR A 16 7.364 6.894 0.074 1.00 0.00 C ATOM 201 C TYR A 16 6.853 7.986 -0.868 1.00 0.00 C ATOM 202 O TYR A 16 5.677 8.343 -0.830 1.00 0.00 O ATOM 203 CB TYR A 16 6.912 5.531 -0.453 1.00 0.00 C ATOM 204 CG TYR A 16 7.341 5.247 -1.894 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.569 5.698 -2.945 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.500 4.540 -2.142 1.00 0.00 C ATOM 207 CE1 TYR A 16 6.973 5.431 -4.301 1.00 0.00 C ATOM 208 CE2 TYR A 16 8.904 4.273 -3.499 1.00 0.00 C ATOM 209 CZ TYR A 16 8.120 4.732 -4.511 1.00 0.00 C ATOM 210 OH TYR A 16 8.502 4.479 -5.792 1.00 0.00 O ATOM 0 H TYR A 16 5.756 7.059 1.406 1.00 0.00 H new ATOM 0 HA TYR A 16 8.449 6.983 0.127 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.313 4.751 0.195 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.826 5.471 -0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.662 6.251 -2.751 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.104 4.187 -1.319 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.378 5.778 -5.133 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.809 3.721 -3.708 1.00 0.00 H new ATOM 0 HH TYR A 16 9.340 3.971 -5.789 1.00 0.00 H new ATOM 220 N LEU A 17 7.763 8.486 -1.691 1.00 0.00 N ATOM 221 CA LEU A 17 7.420 9.531 -2.641 1.00 0.00 C ATOM 222 C LEU A 17 7.477 8.962 -4.060 1.00 0.00 C ATOM 223 O LEU A 17 8.463 8.332 -4.441 1.00 0.00 O ATOM 224 CB LEU A 17 8.310 10.758 -2.434 1.00 0.00 C ATOM 225 CG LEU A 17 8.008 11.604 -1.195 1.00 0.00 C ATOM 226 CD1 LEU A 17 8.734 12.949 -1.259 1.00 0.00 C ATOM 227 CD2 LEU A 17 6.499 11.776 -1.004 1.00 0.00 C ATOM 0 H LEU A 17 8.738 8.187 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 17 6.399 9.876 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.346 10.425 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.226 11.396 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 17 8.386 11.076 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.502 13.530 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.809 12.780 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.408 13.497 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.311 12.381 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.076 12.272 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.034 10.798 -0.881 1.00 0.00 H new ATOM 239 N PRO A 18 6.380 9.211 -4.825 1.00 0.00 N ATOM 240 CA PRO A 18 6.297 8.732 -6.193 1.00 0.00 C ATOM 241 C PRO A 18 7.178 9.569 -7.123 1.00 0.00 C ATOM 242 O PRO A 18 6.913 10.752 -7.335 1.00 0.00 O ATOM 243 CB PRO A 18 4.821 8.806 -6.547 1.00 0.00 C ATOM 244 CG PRO A 18 4.197 9.755 -5.537 1.00 0.00 C ATOM 245 CD PRO A 18 5.195 9.954 -4.407 1.00 0.00 C ATOM 0 HA PRO A 18 6.669 7.714 -6.305 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.681 9.171 -7.564 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.357 7.821 -6.496 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.957 10.709 -6.007 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.263 9.344 -5.154 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.421 11.010 -4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.804 9.577 -3.462 1.00 0.00 H new ATOM 253 N GLN A 19 8.206 8.923 -7.652 1.00 0.00 N ATOM 254 CA GLN A 19 9.127 9.594 -8.554 1.00 0.00 C ATOM 255 C GLN A 19 8.542 9.649 -9.966 1.00 0.00 C ATOM 256 O GLN A 19 9.225 10.042 -10.911 1.00 0.00 O ATOM 257 CB GLN A 19 10.494 8.906 -8.553 1.00 0.00 C ATOM 258 CG GLN A 19 11.005 8.703 -7.126 1.00 0.00 C ATOM 259 CD GLN A 19 12.262 9.536 -6.869 1.00 0.00 C ATOM 260 OE1 GLN A 19 12.766 10.229 -7.738 1.00 0.00 O ATOM 261 NE2 GLN A 19 12.739 9.429 -5.632 1.00 0.00 N ATOM 0 H GLN A 19 8.422 7.942 -7.474 1.00 0.00 H new ATOM 0 HA GLN A 19 9.271 10.615 -8.202 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.420 7.942 -9.057 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.208 9.507 -9.117 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.228 8.982 -6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.224 7.648 -6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.268 8.831 -4.954 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.576 9.945 -5.362 1.00 0.00 H new ATOM 270 N ASN A 20 7.282 9.250 -10.066 1.00 0.00 N ATOM 271 CA ASN A 20 6.597 9.249 -11.348 1.00 0.00 C ATOM 272 C ASN A 20 5.158 9.730 -11.152 1.00 0.00 C ATOM 273 O ASN A 20 4.761 10.075 -10.040 1.00 0.00 O ATOM 274 CB ASN A 20 6.548 7.841 -11.945 1.00 0.00 C ATOM 275 CG ASN A 20 7.956 7.318 -12.234 1.00 0.00 C ATOM 276 OD1 ASN A 20 8.726 7.908 -12.974 1.00 0.00 O ATOM 277 ND2 ASN A 20 8.249 6.180 -11.611 1.00 0.00 N ATOM 0 H ASN A 20 6.718 8.925 -9.281 1.00 0.00 H new ATOM 0 HA ASN A 20 7.143 9.908 -12.023 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.041 7.167 -11.255 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.965 7.853 -12.866 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.165 5.749 -11.739 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.558 5.738 -11.005 1.00 0.00 H new ATOM 284 N ASP A 21 4.416 9.737 -12.250 1.00 0.00 N ATOM 285 CA ASP A 21 3.029 10.170 -12.213 1.00 0.00 C ATOM 286 C ASP A 21 2.115 8.949 -12.330 1.00 0.00 C ATOM 287 O ASP A 21 1.020 9.040 -12.884 1.00 0.00 O ATOM 288 CB ASP A 21 2.715 11.110 -13.378 1.00 0.00 C ATOM 289 CG ASP A 21 1.700 12.212 -13.065 1.00 0.00 C ATOM 290 OD1 ASP A 21 1.960 12.965 -12.102 1.00 0.00 O ATOM 291 OD2 ASP A 21 0.688 12.276 -13.795 1.00 0.00 O ATOM 0 H ASP A 21 4.749 9.450 -13.170 1.00 0.00 H new ATOM 0 HA ASP A 21 2.864 10.695 -11.272 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.643 11.575 -13.710 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.340 10.517 -14.212 1.00 0.00 H new ATOM 296 N ASP A 22 2.597 7.835 -11.799 1.00 0.00 N ATOM 297 CA ASP A 22 1.837 6.598 -11.838 1.00 0.00 C ATOM 298 C ASP A 22 2.168 5.762 -10.600 1.00 0.00 C ATOM 299 O ASP A 22 1.947 4.552 -10.586 1.00 0.00 O ATOM 300 CB ASP A 22 2.192 5.771 -13.075 1.00 0.00 C ATOM 301 CG ASP A 22 0.993 5.222 -13.852 1.00 0.00 C ATOM 302 OD1 ASP A 22 -0.050 4.998 -13.201 1.00 0.00 O ATOM 303 OD2 ASP A 22 1.147 5.038 -15.078 1.00 0.00 O ATOM 0 H ASP A 22 3.505 7.764 -11.339 1.00 0.00 H new ATOM 0 HA ASP A 22 0.778 6.854 -11.868 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.790 6.388 -13.747 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.820 4.935 -12.767 1.00 0.00 H new ATOM 308 N GLU A 23 2.695 6.440 -9.591 1.00 0.00 N ATOM 309 CA GLU A 23 3.059 5.775 -8.351 1.00 0.00 C ATOM 310 C GLU A 23 2.204 6.299 -7.196 1.00 0.00 C ATOM 311 O GLU A 23 1.495 7.294 -7.345 1.00 0.00 O ATOM 312 CB GLU A 23 4.550 5.950 -8.053 1.00 0.00 C ATOM 313 CG GLU A 23 5.368 4.809 -8.661 1.00 0.00 C ATOM 314 CD GLU A 23 6.402 4.284 -7.663 1.00 0.00 C ATOM 315 OE1 GLU A 23 6.013 4.091 -6.491 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.559 4.088 -8.095 1.00 0.00 O ATOM 0 H GLU A 23 2.879 7.443 -9.607 1.00 0.00 H new ATOM 0 HA GLU A 23 2.867 4.708 -8.464 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.895 6.903 -8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.708 5.981 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.703 3.999 -8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.872 5.158 -9.562 1.00 0.00 H new ATOM 323 N LEU A 24 2.298 5.607 -6.071 1.00 0.00 N ATOM 324 CA LEU A 24 1.541 5.990 -4.891 1.00 0.00 C ATOM 325 C LEU A 24 2.478 6.664 -3.886 1.00 0.00 C ATOM 326 O LEU A 24 3.661 6.336 -3.819 1.00 0.00 O ATOM 327 CB LEU A 24 0.792 4.784 -4.319 1.00 0.00 C ATOM 328 CG LEU A 24 -0.636 4.579 -4.829 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.364 3.516 -4.004 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.402 5.902 -4.863 1.00 0.00 C ATOM 0 H LEU A 24 2.887 4.783 -5.951 1.00 0.00 H new ATOM 0 HA LEU A 24 0.773 6.719 -5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.368 3.885 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.759 4.883 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.584 4.212 -5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.377 3.389 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.828 2.570 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.407 3.831 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.414 5.727 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.447 6.322 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.892 6.601 -5.526 1.00 0.00 H new ATOM 342 N GLU A 25 1.913 7.595 -3.131 1.00 0.00 N ATOM 343 CA GLU A 25 2.683 8.319 -2.134 1.00 0.00 C ATOM 344 C GLU A 25 2.383 7.775 -0.735 1.00 0.00 C ATOM 345 O GLU A 25 1.367 8.121 -0.135 1.00 0.00 O ATOM 346 CB GLU A 25 2.403 9.821 -2.209 1.00 0.00 C ATOM 347 CG GLU A 25 3.202 10.581 -1.149 1.00 0.00 C ATOM 348 CD GLU A 25 2.826 12.064 -1.137 1.00 0.00 C ATOM 349 OE1 GLU A 25 2.873 12.670 -2.230 1.00 0.00 O ATOM 350 OE2 GLU A 25 2.500 12.559 -0.036 1.00 0.00 O ATOM 0 H GLU A 25 0.931 7.864 -3.190 1.00 0.00 H new ATOM 0 HA GLU A 25 3.742 8.170 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.661 10.194 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.338 10.004 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.015 10.147 -0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.269 10.474 -1.347 1.00 0.00 H new ATOM 357 N LEU A 26 3.287 6.932 -0.257 1.00 0.00 N ATOM 358 CA LEU A 26 3.133 6.337 1.059 1.00 0.00 C ATOM 359 C LEU A 26 3.502 7.368 2.127 1.00 0.00 C ATOM 360 O LEU A 26 4.454 8.129 1.957 1.00 0.00 O ATOM 361 CB LEU A 26 3.933 5.037 1.157 1.00 0.00 C ATOM 362 CG LEU A 26 3.888 4.127 -0.073 1.00 0.00 C ATOM 363 CD1 LEU A 26 5.010 3.088 -0.028 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.511 3.478 -0.224 1.00 0.00 C ATOM 0 H LEU A 26 4.129 6.647 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 26 2.093 6.058 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.974 5.289 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.568 4.473 2.015 1.00 0.00 H new ATOM 0 HG LEU A 26 4.054 4.741 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.955 2.455 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.975 3.595 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.901 2.473 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.506 2.837 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.291 2.881 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.753 4.254 -0.335 1.00 0.00 H new ATOM 376 N LYS A 27 2.731 7.360 3.204 1.00 0.00 N ATOM 377 CA LYS A 27 2.965 8.286 4.299 1.00 0.00 C ATOM 378 C LYS A 27 2.790 7.550 5.629 1.00 0.00 C ATOM 379 O LYS A 27 1.711 7.038 5.922 1.00 0.00 O ATOM 380 CB LYS A 27 2.074 9.521 4.158 1.00 0.00 C ATOM 381 CG LYS A 27 2.832 10.671 3.493 1.00 0.00 C ATOM 382 CD LYS A 27 2.730 11.950 4.327 1.00 0.00 C ATOM 383 CE LYS A 27 2.817 13.193 3.439 1.00 0.00 C ATOM 384 NZ LYS A 27 4.108 13.887 3.645 1.00 0.00 N ATOM 0 H LYS A 27 1.943 6.727 3.342 1.00 0.00 H new ATOM 0 HA LYS A 27 3.990 8.657 4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.192 9.272 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.721 9.833 5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.879 10.397 3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.428 10.849 2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.788 11.956 4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.530 11.971 5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.714 12.907 2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.993 13.869 3.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.151 14.728 3.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.192 14.176 4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.890 13.245 3.404 1.00 0.00 H new ATOM 398 N VAL A 28 3.868 7.521 6.399 1.00 0.00 N ATOM 399 CA VAL A 28 3.847 6.856 7.691 1.00 0.00 C ATOM 400 C VAL A 28 2.469 7.038 8.331 1.00 0.00 C ATOM 401 O VAL A 28 2.177 8.091 8.896 1.00 0.00 O ATOM 402 CB VAL A 28 4.987 7.379 8.568 1.00 0.00 C ATOM 403 CG1 VAL A 28 4.963 6.722 9.949 1.00 0.00 C ATOM 404 CG2 VAL A 28 6.341 7.174 7.886 1.00 0.00 C ATOM 0 H VAL A 28 4.761 7.947 6.153 1.00 0.00 H new ATOM 0 HA VAL A 28 4.012 5.785 7.572 1.00 0.00 H new ATOM 0 HB VAL A 28 4.840 8.450 8.705 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.783 7.112 10.552 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.015 6.942 10.440 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.073 5.643 9.841 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.134 7.554 8.530 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.499 6.111 7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.356 7.711 6.937 1.00 0.00 H new ATOM 414 N GLY A 29 1.659 5.996 8.222 1.00 0.00 N ATOM 415 CA GLY A 29 0.319 6.027 8.782 1.00 0.00 C ATOM 416 C GLY A 29 -0.737 6.074 7.677 1.00 0.00 C ATOM 417 O GLY A 29 -1.816 6.635 7.866 1.00 0.00 O ATOM 0 H GLY A 29 1.905 5.124 7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.161 5.146 9.404 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.212 6.897 9.429 1.00 0.00 H new ATOM 421 N ASP A 30 -0.391 5.478 6.545 1.00 0.00 N ATOM 422 CA ASP A 30 -1.296 5.445 5.409 1.00 0.00 C ATOM 423 C ASP A 30 -1.820 4.020 5.221 1.00 0.00 C ATOM 424 O ASP A 30 -1.093 3.053 5.444 1.00 0.00 O ATOM 425 CB ASP A 30 -0.579 5.858 4.122 1.00 0.00 C ATOM 426 CG ASP A 30 -0.608 7.357 3.818 1.00 0.00 C ATOM 427 OD1 ASP A 30 -1.108 8.103 4.688 1.00 0.00 O ATOM 428 OD2 ASP A 30 -0.129 7.724 2.723 1.00 0.00 O ATOM 0 H ASP A 30 0.504 5.014 6.391 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.112 6.140 5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.460 5.535 4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.030 5.324 3.285 1.00 0.00 H new ATOM 433 N ILE A 31 -3.078 3.935 4.814 1.00 0.00 N ATOM 434 CA ILE A 31 -3.708 2.645 4.594 1.00 0.00 C ATOM 435 C ILE A 31 -4.094 2.515 3.119 1.00 0.00 C ATOM 436 O ILE A 31 -4.979 3.222 2.641 1.00 0.00 O ATOM 437 CB ILE A 31 -4.882 2.451 5.556 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.412 2.499 7.011 1.00 0.00 C ATOM 439 CG2 ILE A 31 -5.642 1.161 5.241 1.00 0.00 C ATOM 440 CD1 ILE A 31 -5.535 2.084 7.964 1.00 0.00 C ATOM 0 H ILE A 31 -3.678 4.739 4.631 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.009 1.838 4.813 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.579 3.277 5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.556 1.837 7.142 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.077 3.507 7.256 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.471 1.047 5.939 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.029 1.206 4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.968 0.309 5.336 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.174 2.127 8.992 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.380 2.762 7.847 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.851 1.067 7.733 1.00 0.00 H new ATOM 452 N ILE A 32 -3.410 1.606 2.440 1.00 0.00 N ATOM 453 CA ILE A 32 -3.670 1.374 1.029 1.00 0.00 C ATOM 454 C ILE A 32 -4.453 0.070 0.866 1.00 0.00 C ATOM 455 O ILE A 32 -3.977 -0.996 1.252 1.00 0.00 O ATOM 456 CB ILE A 32 -2.365 1.412 0.231 1.00 0.00 C ATOM 457 CG1 ILE A 32 -1.879 2.850 0.041 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.517 0.677 -1.103 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.442 3.014 0.542 1.00 0.00 C ATOM 0 H ILE A 32 -2.676 1.021 2.840 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.291 2.171 0.620 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.600 0.887 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.933 3.120 -1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.536 3.534 0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.576 0.719 -1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.783 -0.364 -0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.301 1.152 -1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.121 4.045 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.396 2.767 1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.216 2.347 -0.015 1.00 0.00 H new ATOM 471 N GLU A 33 -5.641 0.199 0.295 1.00 0.00 N ATOM 472 CA GLU A 33 -6.495 -0.956 0.076 1.00 0.00 C ATOM 473 C GLU A 33 -5.960 -1.801 -1.081 1.00 0.00 C ATOM 474 O GLU A 33 -6.483 -1.741 -2.193 1.00 0.00 O ATOM 475 CB GLU A 33 -7.942 -0.528 -0.181 1.00 0.00 C ATOM 476 CG GLU A 33 -8.854 -0.961 0.968 1.00 0.00 C ATOM 477 CD GLU A 33 -10.261 -1.284 0.459 1.00 0.00 C ATOM 478 OE1 GLU A 33 -10.921 -0.338 -0.022 1.00 0.00 O ATOM 479 OE2 GLU A 33 -10.644 -2.470 0.563 1.00 0.00 O ATOM 0 H GLU A 33 -6.033 1.086 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.486 -1.566 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.989 0.555 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.294 -0.966 -1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.432 -1.836 1.462 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.906 -0.168 1.714 1.00 0.00 H new ATOM 486 N VAL A 34 -4.923 -2.570 -0.781 1.00 0.00 N ATOM 487 CA VAL A 34 -4.311 -3.426 -1.782 1.00 0.00 C ATOM 488 C VAL A 34 -5.404 -4.043 -2.657 1.00 0.00 C ATOM 489 O VAL A 34 -6.188 -4.867 -2.188 1.00 0.00 O ATOM 490 CB VAL A 34 -3.426 -4.474 -1.104 1.00 0.00 C ATOM 491 CG1 VAL A 34 -2.635 -5.276 -2.140 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.490 -3.823 -0.083 1.00 0.00 C ATOM 0 H VAL A 34 -4.491 -2.618 0.142 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.661 -2.844 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.076 -5.167 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.014 -6.014 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.327 -5.784 -2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.000 -4.602 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.872 -4.590 0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.850 -3.098 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.080 -3.317 0.681 1.00 0.00 H new ATOM 502 N VAL A 35 -5.421 -3.621 -3.912 1.00 0.00 N ATOM 503 CA VAL A 35 -6.406 -4.122 -4.857 1.00 0.00 C ATOM 504 C VAL A 35 -5.828 -5.331 -5.595 1.00 0.00 C ATOM 505 O VAL A 35 -6.506 -6.344 -5.759 1.00 0.00 O ATOM 506 CB VAL A 35 -6.845 -2.999 -5.800 1.00 0.00 C ATOM 507 CG1 VAL A 35 -5.682 -2.538 -6.681 1.00 0.00 C ATOM 508 CG2 VAL A 35 -8.039 -3.434 -6.651 1.00 0.00 C ATOM 0 H VAL A 35 -4.769 -2.938 -4.297 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.302 -4.458 -4.334 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.159 -2.152 -5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.020 -1.740 -7.342 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.872 -2.169 -6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.324 -3.376 -7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.331 -2.618 -7.312 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.763 -4.303 -7.248 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.875 -3.691 -6.001 1.00 0.00 H new ATOM 518 N GLY A 36 -4.582 -5.185 -6.021 1.00 0.00 N ATOM 519 CA GLY A 36 -3.906 -6.253 -6.738 1.00 0.00 C ATOM 520 C GLY A 36 -2.400 -6.226 -6.469 1.00 0.00 C ATOM 521 O GLY A 36 -1.909 -5.352 -5.757 1.00 0.00 O ATOM 0 H GLY A 36 -4.023 -4.343 -5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.316 -7.216 -6.434 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.090 -6.151 -7.808 1.00 0.00 H new ATOM 525 N GLU A 37 -1.710 -7.194 -7.053 1.00 0.00 N ATOM 526 CA GLU A 37 -0.270 -7.293 -6.886 1.00 0.00 C ATOM 527 C GLU A 37 0.439 -7.022 -8.214 1.00 0.00 C ATOM 528 O GLU A 37 0.479 -7.886 -9.088 1.00 0.00 O ATOM 529 CB GLU A 37 0.125 -8.659 -6.323 1.00 0.00 C ATOM 530 CG GLU A 37 1.531 -9.054 -6.777 1.00 0.00 C ATOM 531 CD GLU A 37 2.075 -10.210 -5.934 1.00 0.00 C ATOM 532 OE1 GLU A 37 1.364 -11.235 -5.850 1.00 0.00 O ATOM 533 OE2 GLU A 37 3.189 -10.042 -5.393 1.00 0.00 O ATOM 0 H GLU A 37 -2.121 -7.917 -7.643 1.00 0.00 H new ATOM 0 HA GLU A 37 0.045 -6.536 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.085 -8.633 -5.234 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.592 -9.412 -6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.510 -9.344 -7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.198 -8.195 -6.697 1.00 0.00 H new ATOM 540 N VAL A 38 0.981 -5.818 -8.325 1.00 0.00 N ATOM 541 CA VAL A 38 1.686 -5.422 -9.532 1.00 0.00 C ATOM 542 C VAL A 38 2.764 -6.460 -9.851 1.00 0.00 C ATOM 543 O VAL A 38 2.723 -7.100 -10.901 1.00 0.00 O ATOM 544 CB VAL A 38 2.247 -4.008 -9.371 1.00 0.00 C ATOM 545 CG1 VAL A 38 1.130 -2.964 -9.444 1.00 0.00 C ATOM 546 CG2 VAL A 38 3.037 -3.876 -8.068 1.00 0.00 C ATOM 0 H VAL A 38 0.946 -5.103 -7.598 1.00 0.00 H new ATOM 0 HA VAL A 38 1.003 -5.391 -10.381 1.00 0.00 H new ATOM 0 HB VAL A 38 2.933 -3.823 -10.198 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.555 -1.967 -9.327 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.629 -3.034 -10.410 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.409 -3.147 -8.648 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.425 -2.861 -7.979 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.383 -4.090 -7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.867 -4.582 -8.073 1.00 0.00 H new ATOM 556 N GLU A 39 3.703 -6.594 -8.926 1.00 0.00 N ATOM 557 CA GLU A 39 4.790 -7.543 -9.095 1.00 0.00 C ATOM 558 C GLU A 39 5.484 -7.801 -7.756 1.00 0.00 C ATOM 559 O GLU A 39 5.022 -7.336 -6.715 1.00 0.00 O ATOM 560 CB GLU A 39 5.789 -7.051 -10.144 1.00 0.00 C ATOM 561 CG GLU A 39 5.978 -5.536 -10.053 1.00 0.00 C ATOM 562 CD GLU A 39 6.893 -5.029 -11.170 1.00 0.00 C ATOM 563 OE1 GLU A 39 6.370 -4.832 -12.287 1.00 0.00 O ATOM 564 OE2 GLU A 39 8.096 -4.850 -10.880 1.00 0.00 O ATOM 0 H GLU A 39 3.733 -6.061 -8.057 1.00 0.00 H new ATOM 0 HA GLU A 39 4.372 -8.484 -9.452 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.747 -7.550 -10.001 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.437 -7.318 -11.140 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.009 -5.041 -10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.404 -5.277 -9.084 1.00 0.00 H new ATOM 571 N GLU A 40 6.580 -8.541 -7.826 1.00 0.00 N ATOM 572 CA GLU A 40 7.342 -8.865 -6.632 1.00 0.00 C ATOM 573 C GLU A 40 8.027 -7.612 -6.083 1.00 0.00 C ATOM 574 O GLU A 40 8.766 -6.940 -6.799 1.00 0.00 O ATOM 575 CB GLU A 40 8.363 -9.968 -6.917 1.00 0.00 C ATOM 576 CG GLU A 40 8.566 -10.858 -5.688 1.00 0.00 C ATOM 577 CD GLU A 40 10.053 -11.005 -5.357 1.00 0.00 C ATOM 578 OE1 GLU A 40 10.842 -11.100 -6.321 1.00 0.00 O ATOM 579 OE2 GLU A 40 10.366 -11.018 -4.147 1.00 0.00 O ATOM 0 H GLU A 40 6.959 -8.926 -8.691 1.00 0.00 H new ATOM 0 HA GLU A 40 6.653 -9.239 -5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.024 -10.574 -7.757 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.314 -9.522 -7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.040 -10.431 -4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.131 -11.841 -5.870 1.00 0.00 H new ATOM 586 N GLY A 41 7.756 -7.337 -4.815 1.00 0.00 N ATOM 587 CA GLY A 41 8.337 -6.177 -4.161 1.00 0.00 C ATOM 588 C GLY A 41 7.472 -4.934 -4.379 1.00 0.00 C ATOM 589 O GLY A 41 7.800 -3.852 -3.894 1.00 0.00 O ATOM 0 H GLY A 41 7.142 -7.897 -4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.439 -6.370 -3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.340 -6.000 -4.550 1.00 0.00 H new ATOM 593 N TRP A 42 6.384 -5.130 -5.109 1.00 0.00 N ATOM 594 CA TRP A 42 5.469 -4.039 -5.398 1.00 0.00 C ATOM 595 C TRP A 42 4.044 -4.594 -5.359 1.00 0.00 C ATOM 596 O TRP A 42 3.843 -5.805 -5.433 1.00 0.00 O ATOM 597 CB TRP A 42 5.815 -3.371 -6.730 1.00 0.00 C ATOM 598 CG TRP A 42 7.137 -2.602 -6.717 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.379 -3.097 -6.629 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.299 -1.170 -6.798 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.326 -2.094 -6.647 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.649 -0.885 -6.753 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.338 -0.150 -6.906 1.00 0.00 C ATOM 604 CZ2 TRP A 42 9.159 0.418 -6.810 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.864 1.146 -6.961 1.00 0.00 C ATOM 606 CH2 TRP A 42 8.220 1.450 -6.917 1.00 0.00 C ATOM 0 H TRP A 42 6.115 -6.029 -5.509 1.00 0.00 H new ATOM 0 HA TRP A 42 5.557 -3.253 -4.648 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.859 -4.134 -7.507 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.011 -2.686 -7.001 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.610 -4.149 -6.553 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.337 -2.217 -6.593 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.277 -0.350 -6.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.220 0.616 -6.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.168 1.967 -7.043 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.547 2.478 -6.965 1.00 0.00 H new ATOM 617 N TRP A 43 3.091 -3.681 -5.243 1.00 0.00 N ATOM 618 CA TRP A 43 1.690 -4.064 -5.193 1.00 0.00 C ATOM 619 C TRP A 43 0.863 -2.908 -5.762 1.00 0.00 C ATOM 620 O TRP A 43 1.412 -1.870 -6.129 1.00 0.00 O ATOM 621 CB TRP A 43 1.277 -4.451 -3.772 1.00 0.00 C ATOM 622 CG TRP A 43 1.659 -5.880 -3.380 1.00 0.00 C ATOM 623 CD1 TRP A 43 1.970 -6.901 -4.189 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.757 -6.407 -2.040 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.261 -8.044 -3.472 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.127 -7.734 -2.124 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.540 -5.783 -0.799 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.313 -8.550 -1.001 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.730 -6.612 0.313 1.00 0.00 C ATOM 630 CH2 TRP A 43 2.103 -7.950 0.246 1.00 0.00 C ATOM 0 H TRP A 43 3.261 -2.677 -5.182 1.00 0.00 H new ATOM 0 HA TRP A 43 1.512 -4.952 -5.800 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.738 -3.757 -3.069 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.198 -4.335 -3.674 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.991 -6.838 -5.267 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.526 -8.949 -3.860 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.250 -4.746 -0.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.603 -9.586 -1.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.576 -6.182 1.292 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.230 -8.524 1.152 1.00 0.00 H new ATOM 641 N GLU A 44 -0.442 -3.127 -5.816 1.00 0.00 N ATOM 642 CA GLU A 44 -1.349 -2.117 -6.333 1.00 0.00 C ATOM 643 C GLU A 44 -2.536 -1.933 -5.385 1.00 0.00 C ATOM 644 O GLU A 44 -3.183 -2.905 -4.998 1.00 0.00 O ATOM 645 CB GLU A 44 -1.825 -2.478 -7.742 1.00 0.00 C ATOM 646 CG GLU A 44 -2.397 -1.252 -8.458 1.00 0.00 C ATOM 647 CD GLU A 44 -2.301 -1.410 -9.977 1.00 0.00 C ATOM 648 OE1 GLU A 44 -1.197 -1.155 -10.506 1.00 0.00 O ATOM 649 OE2 GLU A 44 -3.334 -1.782 -10.575 1.00 0.00 O ATOM 0 H GLU A 44 -0.893 -3.989 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.810 -1.172 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.994 -2.885 -8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.585 -3.258 -7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.438 -1.110 -8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.855 -0.359 -8.147 1.00 0.00 H new ATOM 656 N GLY A 45 -2.785 -0.679 -5.037 1.00 0.00 N ATOM 657 CA GLY A 45 -3.882 -0.355 -4.141 1.00 0.00 C ATOM 658 C GLY A 45 -4.317 1.102 -4.311 1.00 0.00 C ATOM 659 O GLY A 45 -3.872 1.783 -5.234 1.00 0.00 O ATOM 0 H GLY A 45 -2.246 0.125 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.726 -1.016 -4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.577 -0.529 -3.109 1.00 0.00 H new ATOM 663 N VAL A 46 -5.181 1.537 -3.406 1.00 0.00 N ATOM 664 CA VAL A 46 -5.680 2.901 -3.443 1.00 0.00 C ATOM 665 C VAL A 46 -5.106 3.683 -2.260 1.00 0.00 C ATOM 666 O VAL A 46 -4.715 3.094 -1.253 1.00 0.00 O ATOM 667 CB VAL A 46 -7.210 2.898 -3.472 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.773 4.171 -2.836 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.731 2.721 -4.899 1.00 0.00 C ATOM 0 H VAL A 46 -5.548 0.969 -2.643 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.352 3.403 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.555 2.049 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.862 4.143 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.443 4.236 -1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.415 5.041 -3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.821 2.722 -4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.372 3.540 -5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.372 1.774 -5.302 1.00 0.00 H new ATOM 679 N LEU A 47 -5.074 4.998 -2.421 1.00 0.00 N ATOM 680 CA LEU A 47 -4.554 5.867 -1.378 1.00 0.00 C ATOM 681 C LEU A 47 -5.418 7.126 -1.291 1.00 0.00 C ATOM 682 O LEU A 47 -5.166 8.106 -1.991 1.00 0.00 O ATOM 683 CB LEU A 47 -3.069 6.154 -1.611 1.00 0.00 C ATOM 684 CG LEU A 47 -2.396 7.073 -0.590 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.469 6.477 0.817 1.00 0.00 C ATOM 686 CD2 LEU A 47 -0.958 7.392 -1.004 1.00 0.00 C ATOM 0 H LEU A 47 -5.399 5.483 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.611 5.374 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.533 5.205 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.956 6.598 -2.600 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.942 8.016 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.983 7.150 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.513 6.344 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.963 5.512 0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.502 8.047 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.385 6.467 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.960 7.890 -1.974 1.00 0.00 H new ATOM 698 N ASN A 48 -6.420 7.059 -0.427 1.00 0.00 N ATOM 699 CA ASN A 48 -7.323 8.182 -0.240 1.00 0.00 C ATOM 700 C ASN A 48 -7.937 8.567 -1.587 1.00 0.00 C ATOM 701 O ASN A 48 -7.936 9.738 -1.962 1.00 0.00 O ATOM 702 CB ASN A 48 -6.580 9.402 0.307 1.00 0.00 C ATOM 703 CG ASN A 48 -6.628 9.434 1.836 1.00 0.00 C ATOM 704 OD1 ASN A 48 -7.641 9.741 2.444 1.00 0.00 O ATOM 705 ND2 ASN A 48 -5.481 9.102 2.420 1.00 0.00 N ATOM 0 H ASN A 48 -6.627 6.245 0.151 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.093 7.881 0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.543 9.380 -0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.025 10.313 -0.093 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.410 9.094 3.438 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.671 8.856 1.851 1.00 0.00 H new ATOM 712 N GLY A 49 -8.448 7.558 -2.279 1.00 0.00 N ATOM 713 CA GLY A 49 -9.064 7.777 -3.576 1.00 0.00 C ATOM 714 C GLY A 49 -8.038 7.631 -4.702 1.00 0.00 C ATOM 715 O GLY A 49 -8.389 7.274 -5.825 1.00 0.00 O ATOM 0 H GLY A 49 -8.448 6.587 -1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.874 7.063 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.506 8.773 -3.609 1.00 0.00 H new ATOM 719 N LYS A 50 -6.789 7.916 -4.362 1.00 0.00 N ATOM 720 CA LYS A 50 -5.710 7.822 -5.330 1.00 0.00 C ATOM 721 C LYS A 50 -5.419 6.348 -5.621 1.00 0.00 C ATOM 722 O LYS A 50 -6.010 5.462 -5.006 1.00 0.00 O ATOM 723 CB LYS A 50 -4.488 8.606 -4.847 1.00 0.00 C ATOM 724 CG LYS A 50 -3.622 9.053 -6.028 1.00 0.00 C ATOM 725 CD LYS A 50 -2.901 10.365 -5.713 1.00 0.00 C ATOM 726 CE LYS A 50 -1.450 10.323 -6.196 1.00 0.00 C ATOM 727 NZ LYS A 50 -1.264 11.220 -7.359 1.00 0.00 N ATOM 0 H LYS A 50 -6.501 8.212 -3.429 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.003 8.282 -6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.812 9.478 -4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.897 7.987 -4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.891 8.279 -6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.245 9.180 -6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.423 11.195 -6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.925 10.549 -4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.783 10.623 -5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.181 9.303 -6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.274 11.179 -7.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.887 10.916 -8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.501 12.195 -7.087 1.00 0.00 H new ATOM 741 N THR A 51 -4.508 6.132 -6.558 1.00 0.00 N ATOM 742 CA THR A 51 -4.132 4.781 -6.938 1.00 0.00 C ATOM 743 C THR A 51 -2.720 4.766 -7.528 1.00 0.00 C ATOM 744 O THR A 51 -2.210 5.802 -7.951 1.00 0.00 O ATOM 745 CB THR A 51 -5.197 4.246 -7.898 1.00 0.00 C ATOM 746 OG1 THR A 51 -6.429 4.528 -7.241 1.00 0.00 O ATOM 747 CG2 THR A 51 -5.173 2.720 -8.007 1.00 0.00 C ATOM 0 H THR A 51 -4.019 6.870 -7.065 1.00 0.00 H new ATOM 0 HA THR A 51 -4.095 4.122 -6.070 1.00 0.00 H new ATOM 0 HB THR A 51 -5.048 4.683 -8.886 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.317 4.416 -6.274 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.948 2.393 -8.700 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.199 2.397 -8.373 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.356 2.282 -7.026 1.00 0.00 H new ATOM 755 N GLY A 52 -2.129 3.581 -7.536 1.00 0.00 N ATOM 756 CA GLY A 52 -0.786 3.417 -8.067 1.00 0.00 C ATOM 757 C GLY A 52 -0.144 2.130 -7.547 1.00 0.00 C ATOM 758 O GLY A 52 -0.806 1.317 -6.904 1.00 0.00 O ATOM 0 H GLY A 52 -2.555 2.724 -7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.822 3.395 -9.156 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.173 4.273 -7.785 1.00 0.00 H new ATOM 762 N MET A 53 1.139 1.984 -7.845 1.00 0.00 N ATOM 763 CA MET A 53 1.878 0.809 -7.416 1.00 0.00 C ATOM 764 C MET A 53 2.942 1.179 -6.381 1.00 0.00 C ATOM 765 O MET A 53 3.852 1.955 -6.670 1.00 0.00 O ATOM 766 CB MET A 53 2.548 0.157 -8.627 1.00 0.00 C ATOM 767 CG MET A 53 3.017 1.213 -9.629 1.00 0.00 C ATOM 768 SD MET A 53 3.911 0.435 -10.964 1.00 0.00 S ATOM 769 CE MET A 53 5.335 -0.168 -10.073 1.00 0.00 C ATOM 0 H MET A 53 1.685 2.660 -8.378 1.00 0.00 H new ATOM 0 HA MET A 53 1.179 0.110 -6.957 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.398 -0.441 -8.299 1.00 0.00 H new ATOM 0 HB3 MET A 53 1.848 -0.524 -9.112 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.159 1.758 -10.024 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.655 1.942 -9.129 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.076 -0.541 -10.780 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.769 0.643 -9.488 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.032 -0.975 -9.406 1.00 0.00 H new ATOM 779 N PHE A 54 2.793 0.606 -5.195 1.00 0.00 N ATOM 780 CA PHE A 54 3.730 0.865 -4.116 1.00 0.00 C ATOM 781 C PHE A 54 4.497 -0.404 -3.738 1.00 0.00 C ATOM 782 O PHE A 54 4.033 -1.513 -3.996 1.00 0.00 O ATOM 783 CB PHE A 54 2.908 1.328 -2.911 1.00 0.00 C ATOM 784 CG PHE A 54 2.032 0.233 -2.299 1.00 0.00 C ATOM 785 CD1 PHE A 54 0.790 -0.004 -2.800 1.00 0.00 C ATOM 786 CD2 PHE A 54 2.495 -0.503 -1.253 1.00 0.00 C ATOM 787 CE1 PHE A 54 -0.023 -1.020 -2.231 1.00 0.00 C ATOM 788 CE2 PHE A 54 1.682 -1.519 -0.685 1.00 0.00 C ATOM 789 CZ PHE A 54 0.440 -1.756 -1.186 1.00 0.00 C ATOM 0 H PHE A 54 2.037 -0.037 -4.958 1.00 0.00 H new ATOM 0 HA PHE A 54 4.456 1.616 -4.427 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.585 1.707 -2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.273 2.160 -3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.422 0.580 -3.630 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.481 -0.315 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.009 -1.208 -2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.050 -2.104 0.145 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.178 -2.529 -0.754 1.00 0.00 H new ATOM 799 N PRO A 55 5.688 -0.192 -3.117 1.00 0.00 N ATOM 800 CA PRO A 55 6.524 -1.306 -2.701 1.00 0.00 C ATOM 801 C PRO A 55 5.954 -1.983 -1.453 1.00 0.00 C ATOM 802 O PRO A 55 5.618 -1.312 -0.478 1.00 0.00 O ATOM 803 CB PRO A 55 7.900 -0.702 -2.474 1.00 0.00 C ATOM 804 CG PRO A 55 7.678 0.794 -2.319 1.00 0.00 C ATOM 805 CD PRO A 55 6.269 1.108 -2.796 1.00 0.00 C ATOM 0 HA PRO A 55 6.570 -2.099 -3.447 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.369 -1.122 -1.584 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.563 -0.914 -3.313 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.804 1.093 -1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.411 1.351 -2.902 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.694 1.619 -2.024 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.283 1.762 -3.668 1.00 0.00 H new ATOM 813 N SER A 56 5.862 -3.303 -1.524 1.00 0.00 N ATOM 814 CA SER A 56 5.339 -4.077 -0.412 1.00 0.00 C ATOM 815 C SER A 56 6.468 -4.429 0.559 1.00 0.00 C ATOM 816 O SER A 56 6.310 -5.302 1.411 1.00 0.00 O ATOM 817 CB SER A 56 4.647 -5.350 -0.904 1.00 0.00 C ATOM 818 OG SER A 56 4.408 -6.272 0.156 1.00 0.00 O ATOM 0 H SER A 56 6.141 -3.856 -2.335 1.00 0.00 H new ATOM 0 HA SER A 56 4.598 -3.470 0.108 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.701 -5.088 -1.377 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.264 -5.826 -1.666 1.00 0.00 H new ATOM 0 HG SER A 56 3.682 -6.880 -0.097 1.00 0.00 H new ATOM 824 N ASN A 57 7.583 -3.731 0.397 1.00 0.00 N ATOM 825 CA ASN A 57 8.739 -3.959 1.248 1.00 0.00 C ATOM 826 C ASN A 57 8.931 -2.755 2.172 1.00 0.00 C ATOM 827 O ASN A 57 9.985 -2.603 2.788 1.00 0.00 O ATOM 828 CB ASN A 57 10.012 -4.124 0.415 1.00 0.00 C ATOM 829 CG ASN A 57 10.105 -5.534 -0.170 1.00 0.00 C ATOM 830 OD1 ASN A 57 9.549 -5.840 -1.212 1.00 0.00 O ATOM 831 ND2 ASN A 57 10.838 -6.374 0.556 1.00 0.00 N ATOM 0 H ASN A 57 7.710 -3.008 -0.311 1.00 0.00 H new ATOM 0 HA ASN A 57 8.563 -4.870 1.821 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.021 -3.391 -0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.886 -3.926 1.036 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.962 -7.339 0.249 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.276 -6.053 1.419 1.00 0.00 H new ATOM 838 N PHE A 58 7.896 -1.931 2.240 1.00 0.00 N ATOM 839 CA PHE A 58 7.938 -0.745 3.080 1.00 0.00 C ATOM 840 C PHE A 58 6.572 -0.473 3.713 1.00 0.00 C ATOM 841 O PHE A 58 6.175 0.680 3.872 1.00 0.00 O ATOM 842 CB PHE A 58 8.309 0.431 2.174 1.00 0.00 C ATOM 843 CG PHE A 58 9.805 0.534 1.870 1.00 0.00 C ATOM 844 CD1 PHE A 58 10.679 0.862 2.860 1.00 0.00 C ATOM 845 CD2 PHE A 58 10.261 0.299 0.611 1.00 0.00 C ATOM 846 CE1 PHE A 58 12.067 0.957 2.578 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.650 0.395 0.329 1.00 0.00 C ATOM 848 CZ PHE A 58 12.524 0.722 1.319 1.00 0.00 C ATOM 0 H PHE A 58 7.024 -2.061 1.728 1.00 0.00 H new ATOM 0 HA PHE A 58 8.661 -0.884 3.884 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.763 0.339 1.235 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.980 1.357 2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.317 1.050 3.860 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.567 0.039 -0.175 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.761 1.216 3.364 1.00 0.00 H new ATOM 0 HE2 PHE A 58 12.012 0.208 -0.671 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.580 0.795 1.105 1.00 0.00 H new ATOM 858 N ILE A 59 5.890 -1.556 4.059 1.00 0.00 N ATOM 859 CA ILE A 59 4.577 -1.449 4.672 1.00 0.00 C ATOM 860 C ILE A 59 4.446 -2.503 5.773 1.00 0.00 C ATOM 861 O ILE A 59 5.418 -3.176 6.113 1.00 0.00 O ATOM 862 CB ILE A 59 3.481 -1.531 3.609 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.741 -2.686 2.640 1.00 0.00 C ATOM 864 CG2 ILE A 59 3.324 -0.195 2.878 1.00 0.00 C ATOM 865 CD1 ILE A 59 3.177 -3.999 3.188 1.00 0.00 C ATOM 0 H ILE A 59 6.222 -2.511 3.926 1.00 0.00 H new ATOM 0 HA ILE A 59 4.456 -0.475 5.146 1.00 0.00 H new ATOM 0 HB ILE A 59 2.535 -1.738 4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.285 -2.465 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.813 -2.789 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.538 -0.281 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.058 0.583 3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.264 0.066 2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.375 -4.804 2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.652 -4.229 4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.101 -3.900 3.333 1.00 0.00 H new ATOM 877 N LYS A 60 3.236 -2.614 6.301 1.00 0.00 N ATOM 878 CA LYS A 60 2.964 -3.575 7.356 1.00 0.00 C ATOM 879 C LYS A 60 1.507 -4.033 7.262 1.00 0.00 C ATOM 880 O LYS A 60 0.595 -3.287 7.616 1.00 0.00 O ATOM 881 CB LYS A 60 3.339 -2.993 8.720 1.00 0.00 C ATOM 882 CG LYS A 60 2.614 -1.668 8.969 1.00 0.00 C ATOM 883 CD LYS A 60 3.096 -1.014 10.265 1.00 0.00 C ATOM 884 CE LYS A 60 3.274 0.495 10.084 1.00 0.00 C ATOM 885 NZ LYS A 60 3.733 1.118 11.346 1.00 0.00 N ATOM 0 H LYS A 60 2.432 -2.054 6.017 1.00 0.00 H new ATOM 0 HA LYS A 60 3.585 -4.462 7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.084 -3.704 9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.417 -2.837 8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.786 -0.992 8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.539 -1.842 9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.378 -1.206 11.062 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.041 -1.461 10.573 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.997 0.689 9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.331 0.944 9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.849 2.142 11.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.029 0.948 12.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.644 0.702 11.627 1.00 0.00 H new ATOM 899 N GLU A 61 1.334 -5.255 6.782 1.00 0.00 N ATOM 900 CA GLU A 61 0.004 -5.821 6.637 1.00 0.00 C ATOM 901 C GLU A 61 -0.786 -5.661 7.938 1.00 0.00 C ATOM 902 O GLU A 61 -0.228 -5.275 8.963 1.00 0.00 O ATOM 903 CB GLU A 61 0.075 -7.290 6.216 1.00 0.00 C ATOM 904 CG GLU A 61 0.487 -8.178 7.392 1.00 0.00 C ATOM 905 CD GLU A 61 0.336 -9.659 7.040 1.00 0.00 C ATOM 906 OE1 GLU A 61 1.300 -10.206 6.461 1.00 0.00 O ATOM 907 OE2 GLU A 61 -0.739 -10.211 7.357 1.00 0.00 O ATOM 0 H GLU A 61 2.093 -5.870 6.488 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.517 -5.277 5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.895 -7.610 5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.790 -7.404 5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.521 -7.969 7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.126 -7.943 8.262 1.00 0.00 H new ATOM 914 N LEU A 62 -2.073 -5.966 7.853 1.00 0.00 N ATOM 915 CA LEU A 62 -2.945 -5.861 9.010 1.00 0.00 C ATOM 916 C LEU A 62 -4.012 -6.955 8.940 1.00 0.00 C ATOM 917 O LEU A 62 -4.658 -7.131 7.909 1.00 0.00 O ATOM 918 CB LEU A 62 -3.519 -4.447 9.121 1.00 0.00 C ATOM 919 CG LEU A 62 -2.516 -3.301 8.971 1.00 0.00 C ATOM 920 CD1 LEU A 62 -3.230 -1.987 8.650 1.00 0.00 C ATOM 921 CD2 LEU A 62 -1.629 -3.184 10.212 1.00 0.00 C ATOM 0 H LEU A 62 -2.532 -6.286 7.000 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.381 -6.024 9.929 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.291 -4.329 8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.009 -4.350 10.090 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.862 -3.526 8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.495 -1.189 8.548 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.783 -2.092 7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.922 -1.743 9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.925 -2.362 10.080 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.251 -2.992 11.087 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.079 -4.114 10.355 1.00 0.00 H new ATOM 933 N SER A 63 -4.164 -7.661 10.051 1.00 0.00 N ATOM 934 CA SER A 63 -5.141 -8.733 10.129 1.00 0.00 C ATOM 935 C SER A 63 -5.310 -9.183 11.581 1.00 0.00 C ATOM 936 O SER A 63 -4.391 -9.753 12.168 1.00 0.00 O ATOM 937 CB SER A 63 -4.732 -9.916 9.250 1.00 0.00 C ATOM 938 OG SER A 63 -3.453 -10.430 9.609 1.00 0.00 O ATOM 0 H SER A 63 -3.626 -7.511 10.905 1.00 0.00 H new ATOM 0 HA SER A 63 -6.094 -8.354 9.760 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.478 -10.706 9.336 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.717 -9.604 8.206 1.00 0.00 H new ATOM 0 HG SER A 63 -3.326 -10.345 10.577 1.00 0.00 H new ATOM 944 N GLY A 64 -6.490 -8.911 12.119 1.00 0.00 N ATOM 945 CA GLY A 64 -6.790 -9.282 13.491 1.00 0.00 C ATOM 946 C GLY A 64 -7.780 -8.299 14.120 1.00 0.00 C ATOM 947 O GLY A 64 -8.258 -7.382 13.454 1.00 0.00 O ATOM 0 H GLY A 64 -7.249 -8.438 11.629 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.206 -10.289 13.517 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.870 -9.302 14.076 1.00 0.00 H new ATOM 951 N PRO A 65 -8.066 -8.530 15.430 1.00 0.00 N ATOM 952 CA PRO A 65 -8.990 -7.676 16.156 1.00 0.00 C ATOM 953 C PRO A 65 -8.342 -6.333 16.499 1.00 0.00 C ATOM 954 O PRO A 65 -7.440 -6.270 17.332 1.00 0.00 O ATOM 955 CB PRO A 65 -9.382 -8.478 17.386 1.00 0.00 C ATOM 956 CG PRO A 65 -8.315 -9.549 17.544 1.00 0.00 C ATOM 957 CD PRO A 65 -7.518 -9.607 16.250 1.00 0.00 C ATOM 0 HA PRO A 65 -9.871 -7.415 15.570 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.429 -7.841 18.269 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.368 -8.925 17.263 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.662 -9.316 18.385 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.773 -10.516 17.754 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.453 -9.463 16.434 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.629 -10.574 15.759 1.00 0.00 H new ATOM 965 N SER A 66 -8.827 -5.293 15.838 1.00 0.00 N ATOM 966 CA SER A 66 -8.307 -3.955 16.063 1.00 0.00 C ATOM 967 C SER A 66 -6.845 -3.880 15.616 1.00 0.00 C ATOM 968 O SER A 66 -6.028 -4.709 16.014 1.00 0.00 O ATOM 969 CB SER A 66 -8.433 -3.554 17.534 1.00 0.00 C ATOM 970 OG SER A 66 -9.757 -3.743 18.027 1.00 0.00 O ATOM 0 H SER A 66 -9.575 -5.349 15.146 1.00 0.00 H new ATOM 0 HA SER A 66 -8.898 -3.255 15.472 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.736 -4.142 18.131 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.149 -2.508 17.650 1.00 0.00 H new ATOM 0 HG SER A 66 -9.796 -3.477 18.970 1.00 0.00 H new ATOM 976 N SER A 67 -6.561 -2.880 14.795 1.00 0.00 N ATOM 977 CA SER A 67 -5.212 -2.687 14.291 1.00 0.00 C ATOM 978 C SER A 67 -4.242 -2.478 15.455 1.00 0.00 C ATOM 979 O SER A 67 -4.568 -1.792 16.423 1.00 0.00 O ATOM 980 CB SER A 67 -5.149 -1.499 13.328 1.00 0.00 C ATOM 981 OG SER A 67 -5.093 -0.254 14.019 1.00 0.00 O ATOM 0 H SER A 67 -7.242 -2.195 14.466 1.00 0.00 H new ATOM 0 HA SER A 67 -4.921 -3.582 13.741 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.273 -1.598 12.687 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.023 -1.513 12.677 1.00 0.00 H new ATOM 0 HG SER A 67 -5.052 0.479 13.370 1.00 0.00 H new ATOM 987 N GLY A 68 -3.070 -3.082 15.323 1.00 0.00 N ATOM 988 CA GLY A 68 -2.051 -2.971 16.353 1.00 0.00 C ATOM 989 C GLY A 68 -0.991 -4.063 16.195 1.00 0.00 C ATOM 990 O GLY A 68 -0.422 -4.527 17.182 1.00 0.00 O ATOM 0 H GLY A 68 -2.803 -3.650 14.519 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.579 -1.990 16.298 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.514 -3.048 17.337 1.00 0.00 H new TER 994 GLY A 68