USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 518 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 LYS NZ :NH3+ -160:sc= -2.72 (180deg=-2.34!) USER MOD Set 1.2: A 13 ASN : amide:sc= -3.27 K(o=-6,f=-13!) USER MOD Set 2.1: A 1 SER OG : rot 180:sc= -0.597 USER MOD Set 2.2: A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -119:sc= 0.155 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= -1.68 (180deg=-1.84) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -146:sc= 0.249 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 93:sc= 0.939 USER MOD Single : A 36 GLN : amide:sc= -9.2! C(o=-9.2!,f=-8.5!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -17.5! C(o=-18!,f=-5.2!) USER MOD Single : A 55 ASN : amide:sc= -8.2! C(o=-8.2!,f=-7.6!) USER MOD Single : A 60 THR OG1 : rot -67:sc= 1.12 USER MOD Single : A 61 SER OG : rot 180:sc= -0.287 USER MOD Single : A 62 CYS SG : rot -74:sc= -0.939 USER MOD Single : A 65 LYS NZ :NH3+ -139:sc= -1.07! (180deg=-2.82!) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.460 -11.361 0.006 1.00 0.00 N ATOM 2 CA SER A 1 -6.885 -11.106 0.354 1.00 0.00 C ATOM 3 C SER A 1 -6.972 -9.911 1.306 1.00 0.00 C ATOM 4 O SER A 1 -5.970 -9.378 1.739 1.00 0.00 O ATOM 5 CB SER A 1 -7.475 -12.342 1.034 1.00 0.00 C ATOM 6 OG SER A 1 -8.675 -11.983 1.706 1.00 0.00 O ATOM 0 H1 SER A 1 -5.329 -11.256 -1.020 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.854 -10.679 0.504 1.00 0.00 H new ATOM 0 H3 SER A 1 -5.201 -12.327 0.291 1.00 0.00 H new ATOM 0 HA SER A 1 -7.446 -10.889 -0.555 1.00 0.00 H new ATOM 0 HB2 SER A 1 -7.677 -13.116 0.294 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.759 -12.758 1.743 1.00 0.00 H new ATOM 0 HG SER A 1 -9.055 -12.774 2.141 1.00 0.00 H new ATOM 11 N SER A 2 -8.161 -9.487 1.634 1.00 0.00 N ATOM 12 CA SER A 2 -8.308 -8.326 2.560 1.00 0.00 C ATOM 13 C SER A 2 -7.529 -7.138 2.015 1.00 0.00 C ATOM 14 O SER A 2 -7.172 -6.244 2.746 1.00 0.00 O ATOM 15 CB SER A 2 -7.730 -8.680 3.927 1.00 0.00 C ATOM 16 OG SER A 2 -8.090 -10.013 4.265 1.00 0.00 O ATOM 0 H SER A 2 -9.036 -9.892 1.302 1.00 0.00 H new ATOM 0 HA SER A 2 -9.366 -8.081 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.645 -8.578 3.912 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.105 -7.989 4.682 1.00 0.00 H new ATOM 0 HG SER A 2 -7.717 -10.240 5.142 1.00 0.00 H new ATOM 22 N ALA A 3 -7.240 -7.118 0.751 1.00 0.00 N ATOM 23 CA ALA A 3 -6.460 -5.977 0.208 1.00 0.00 C ATOM 24 C ALA A 3 -7.368 -4.781 -0.026 1.00 0.00 C ATOM 25 O ALA A 3 -6.975 -3.646 0.162 1.00 0.00 O ATOM 26 CB ALA A 3 -5.819 -6.379 -1.105 1.00 0.00 C ATOM 0 H ALA A 3 -7.506 -7.833 0.074 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.689 -5.705 0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.247 -5.541 -1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.154 -7.227 -0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.595 -6.659 -1.818 1.00 0.00 H new ATOM 32 N LYS A 4 -8.584 -5.015 -0.416 1.00 0.00 N ATOM 33 CA LYS A 4 -9.507 -3.877 -0.639 1.00 0.00 C ATOM 34 C LYS A 4 -10.034 -3.440 0.726 1.00 0.00 C ATOM 35 O LYS A 4 -10.235 -2.270 0.986 1.00 0.00 O ATOM 36 CB LYS A 4 -10.647 -4.316 -1.565 1.00 0.00 C ATOM 37 CG LYS A 4 -11.813 -3.313 -1.493 1.00 0.00 C ATOM 38 CD LYS A 4 -12.398 -3.094 -2.896 1.00 0.00 C ATOM 39 CE LYS A 4 -11.535 -2.090 -3.668 1.00 0.00 C ATOM 40 NZ LYS A 4 -11.965 -0.703 -3.330 1.00 0.00 N ATOM 0 H LYS A 4 -8.977 -5.940 -0.589 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.999 -3.040 -1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.284 -4.388 -2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.995 -5.309 -1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.586 -3.687 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.465 -2.365 -1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.440 -4.041 -3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.421 -2.725 -2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.484 -2.228 -3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.630 -2.261 -4.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.380 -0.021 -3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.963 -0.576 -3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.852 -0.544 -2.308 1.00 0.00 H new ATOM 54 N ARG A 5 -10.232 -4.381 1.609 1.00 0.00 N ATOM 55 CA ARG A 5 -10.718 -4.042 2.974 1.00 0.00 C ATOM 56 C ARG A 5 -9.647 -3.224 3.692 1.00 0.00 C ATOM 57 O ARG A 5 -9.904 -2.160 4.219 1.00 0.00 O ATOM 58 CB ARG A 5 -10.935 -5.338 3.752 1.00 0.00 C ATOM 59 CG ARG A 5 -11.760 -5.060 5.020 1.00 0.00 C ATOM 60 CD ARG A 5 -13.205 -5.519 4.810 1.00 0.00 C ATOM 61 NE ARG A 5 -13.238 -7.000 4.654 1.00 0.00 N ATOM 62 CZ ARG A 5 -14.368 -7.644 4.763 1.00 0.00 C ATOM 63 NH1 ARG A 5 -15.471 -6.991 5.011 1.00 0.00 N ATOM 64 NH2 ARG A 5 -14.396 -8.942 4.627 1.00 0.00 N ATOM 0 H ARG A 5 -10.077 -5.375 1.441 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.647 -3.475 2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.451 -6.066 3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.974 -5.775 4.022 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.323 -5.582 5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.737 -3.996 5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.820 -5.218 5.658 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.625 -5.040 3.926 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.377 -7.511 4.462 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.450 -5.977 5.120 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -16.354 -7.495 5.096 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.535 -9.453 4.435 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -15.279 -9.445 4.712 1.00 0.00 H new ATOM 78 N VAL A 6 -8.444 -3.728 3.717 1.00 0.00 N ATOM 79 CA VAL A 6 -7.340 -3.006 4.398 1.00 0.00 C ATOM 80 C VAL A 6 -7.152 -1.647 3.715 1.00 0.00 C ATOM 81 O VAL A 6 -6.910 -0.641 4.352 1.00 0.00 O ATOM 82 CB VAL A 6 -6.064 -3.877 4.310 1.00 0.00 C ATOM 83 CG1 VAL A 6 -5.112 -3.367 3.223 1.00 0.00 C ATOM 84 CG2 VAL A 6 -5.345 -3.897 5.668 1.00 0.00 C ATOM 0 H VAL A 6 -8.180 -4.616 3.291 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.563 -2.828 5.450 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.368 -4.890 4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.226 -4.001 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.616 -3.393 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.816 -2.343 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.448 -4.513 5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.066 -2.881 5.947 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.010 -4.312 6.426 1.00 0.00 H new ATOM 94 N PHE A 7 -7.276 -1.623 2.421 1.00 0.00 N ATOM 95 CA PHE A 7 -7.121 -0.338 1.686 1.00 0.00 C ATOM 96 C PHE A 7 -8.261 0.602 2.100 1.00 0.00 C ATOM 97 O PHE A 7 -8.039 1.751 2.422 1.00 0.00 O ATOM 98 CB PHE A 7 -7.138 -0.586 0.170 1.00 0.00 C ATOM 99 CG PHE A 7 -7.355 0.707 -0.604 1.00 0.00 C ATOM 100 CD1 PHE A 7 -7.177 1.964 -0.004 1.00 0.00 C ATOM 101 CD2 PHE A 7 -7.764 0.641 -1.940 1.00 0.00 C ATOM 102 CE1 PHE A 7 -7.414 3.128 -0.733 1.00 0.00 C ATOM 103 CE2 PHE A 7 -7.983 1.814 -2.661 1.00 0.00 C ATOM 104 CZ PHE A 7 -7.810 3.055 -2.055 1.00 0.00 C ATOM 0 H PHE A 7 -7.478 -2.436 1.839 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.164 0.121 1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.196 -1.041 -0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.929 -1.295 -0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.856 2.029 1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.910 -0.319 -2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.288 4.092 -0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.289 1.759 -3.695 1.00 0.00 H new ATOM 0 HZ PHE A 7 -7.985 3.960 -2.617 1.00 0.00 H new ATOM 114 N GLU A 8 -9.477 0.137 2.128 1.00 0.00 N ATOM 115 CA GLU A 8 -10.582 1.044 2.547 1.00 0.00 C ATOM 116 C GLU A 8 -10.174 1.724 3.855 1.00 0.00 C ATOM 117 O GLU A 8 -10.221 2.930 3.986 1.00 0.00 O ATOM 118 CB GLU A 8 -11.860 0.231 2.765 1.00 0.00 C ATOM 119 CG GLU A 8 -12.471 -0.140 1.411 1.00 0.00 C ATOM 120 CD GLU A 8 -13.445 -1.306 1.592 1.00 0.00 C ATOM 121 OE1 GLU A 8 -14.052 -1.387 2.647 1.00 0.00 O ATOM 122 OE2 GLU A 8 -13.566 -2.098 0.673 1.00 0.00 O ATOM 0 H GLU A 8 -9.752 -0.814 1.884 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.768 1.792 1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.636 -0.672 3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.575 0.808 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.991 0.719 0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.684 -0.415 0.708 1.00 0.00 H new ATOM 129 N LYS A 9 -9.772 0.948 4.820 1.00 0.00 N ATOM 130 CA LYS A 9 -9.353 1.527 6.123 1.00 0.00 C ATOM 131 C LYS A 9 -8.247 2.566 5.898 1.00 0.00 C ATOM 132 O LYS A 9 -8.193 3.579 6.567 1.00 0.00 O ATOM 133 CB LYS A 9 -8.834 0.402 7.031 1.00 0.00 C ATOM 134 CG LYS A 9 -9.624 0.389 8.344 1.00 0.00 C ATOM 135 CD LYS A 9 -9.396 1.711 9.099 1.00 0.00 C ATOM 136 CE LYS A 9 -10.743 2.339 9.475 1.00 0.00 C ATOM 137 NZ LYS A 9 -10.538 3.343 10.557 1.00 0.00 N ATOM 0 H LYS A 9 -9.716 -0.069 4.761 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.205 2.015 6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.933 -0.559 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.773 0.547 7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.686 0.254 8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.309 -0.453 8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.807 1.529 9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.825 2.401 8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.191 2.815 8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.436 1.567 9.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.451 3.769 10.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.129 2.876 11.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.891 4.085 10.224 1.00 0.00 H new ATOM 151 N PHE A 10 -7.356 2.325 4.969 1.00 0.00 N ATOM 152 CA PHE A 10 -6.260 3.296 4.721 1.00 0.00 C ATOM 153 C PHE A 10 -6.682 4.335 3.702 1.00 0.00 C ATOM 154 O PHE A 10 -6.099 5.397 3.640 1.00 0.00 O ATOM 155 CB PHE A 10 -5.046 2.554 4.205 1.00 0.00 C ATOM 156 CG PHE A 10 -4.753 1.370 5.097 1.00 0.00 C ATOM 157 CD1 PHE A 10 -4.804 1.511 6.494 1.00 0.00 C ATOM 158 CD2 PHE A 10 -4.409 0.135 4.536 1.00 0.00 C ATOM 159 CE1 PHE A 10 -4.513 0.422 7.321 1.00 0.00 C ATOM 160 CE2 PHE A 10 -4.116 -0.955 5.368 1.00 0.00 C ATOM 161 CZ PHE A 10 -4.168 -0.809 6.758 1.00 0.00 C ATOM 0 H PHE A 10 -7.345 1.496 4.374 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.023 3.803 5.657 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.221 2.217 3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.185 3.222 4.177 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.069 2.463 6.930 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.369 0.021 3.463 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.555 0.532 8.395 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.850 -1.908 4.935 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.941 -1.649 7.397 1.00 0.00 H new ATOM 171 N ASP A 11 -7.674 4.069 2.902 1.00 0.00 N ATOM 172 CA ASP A 11 -8.086 5.095 1.913 1.00 0.00 C ATOM 173 C ASP A 11 -8.272 6.409 2.653 1.00 0.00 C ATOM 174 O ASP A 11 -9.356 6.800 3.037 1.00 0.00 O ATOM 175 CB ASP A 11 -9.375 4.667 1.215 1.00 0.00 C ATOM 176 CG ASP A 11 -9.485 5.369 -0.140 1.00 0.00 C ATOM 177 OD1 ASP A 11 -8.806 6.366 -0.324 1.00 0.00 O ATOM 178 OD2 ASP A 11 -10.246 4.899 -0.970 1.00 0.00 O ATOM 0 H ASP A 11 -8.209 3.200 2.890 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.324 5.214 1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.384 3.586 1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.236 4.916 1.835 1.00 0.00 H new ATOM 183 N LYS A 12 -7.181 7.074 2.849 1.00 0.00 N ATOM 184 CA LYS A 12 -7.172 8.374 3.565 1.00 0.00 C ATOM 185 C LYS A 12 -7.589 9.479 2.603 1.00 0.00 C ATOM 186 O LYS A 12 -7.880 10.593 2.993 1.00 0.00 O ATOM 187 CB LYS A 12 -5.741 8.596 4.045 1.00 0.00 C ATOM 188 CG LYS A 12 -5.012 9.636 3.174 1.00 0.00 C ATOM 189 CD LYS A 12 -3.501 9.355 3.185 1.00 0.00 C ATOM 190 CE LYS A 12 -2.911 9.641 1.799 1.00 0.00 C ATOM 191 NZ LYS A 12 -3.729 8.960 0.754 1.00 0.00 N ATOM 0 H LYS A 12 -6.262 6.763 2.533 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.865 8.379 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.751 8.931 5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.196 7.652 4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.391 9.599 2.153 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.207 10.640 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.011 9.977 3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.317 8.317 3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.891 10.715 1.616 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.880 9.291 1.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.168 8.862 -0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.010 8.018 1.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.580 9.525 0.556 1.00 0.00 H new ATOM 205 N ASN A 13 -7.642 9.152 1.350 1.00 0.00 N ATOM 206 CA ASN A 13 -8.069 10.144 0.317 1.00 0.00 C ATOM 207 C ASN A 13 -9.338 9.634 -0.378 1.00 0.00 C ATOM 208 O ASN A 13 -9.690 10.094 -1.446 1.00 0.00 O ATOM 209 CB ASN A 13 -6.953 10.313 -0.718 1.00 0.00 C ATOM 210 CG ASN A 13 -6.512 8.940 -1.224 1.00 0.00 C ATOM 211 OD1 ASN A 13 -7.323 8.048 -1.381 1.00 0.00 O ATOM 212 ND2 ASN A 13 -5.252 8.729 -1.491 1.00 0.00 N ATOM 0 H ASN A 13 -7.406 8.229 0.985 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.272 11.104 0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.304 10.923 -1.550 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.107 10.837 -0.273 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.949 7.816 -1.831 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.571 9.477 -1.360 1.00 0.00 H new ATOM 219 N LYS A 14 -10.021 8.683 0.226 1.00 0.00 N ATOM 220 CA LYS A 14 -11.265 8.129 -0.400 1.00 0.00 C ATOM 221 C LYS A 14 -11.150 8.329 -1.906 1.00 0.00 C ATOM 222 O LYS A 14 -12.019 8.869 -2.561 1.00 0.00 O ATOM 223 CB LYS A 14 -12.487 8.873 0.133 1.00 0.00 C ATOM 224 CG LYS A 14 -12.427 8.930 1.663 1.00 0.00 C ATOM 225 CD LYS A 14 -13.796 9.344 2.219 1.00 0.00 C ATOM 226 CE LYS A 14 -14.601 8.097 2.601 1.00 0.00 C ATOM 227 NZ LYS A 14 -14.556 7.111 1.484 1.00 0.00 N ATOM 0 H LYS A 14 -9.769 8.269 1.124 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.377 7.071 -0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.519 9.882 -0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.400 8.370 -0.187 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.141 7.957 2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.665 9.641 1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.666 9.985 3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.340 9.925 1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.193 7.652 3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.634 8.371 2.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.184 6.311 1.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.870 7.568 0.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.583 6.765 1.366 1.00 0.00 H new ATOM 241 N ASP A 15 -10.025 7.941 -2.423 1.00 0.00 N ATOM 242 CA ASP A 15 -9.745 8.137 -3.859 1.00 0.00 C ATOM 243 C ASP A 15 -9.737 6.812 -4.592 1.00 0.00 C ATOM 244 O ASP A 15 -10.008 6.769 -5.775 1.00 0.00 O ATOM 245 CB ASP A 15 -8.381 8.818 -4.015 1.00 0.00 C ATOM 246 CG ASP A 15 -8.351 9.619 -5.319 1.00 0.00 C ATOM 247 OD1 ASP A 15 -9.076 9.258 -6.230 1.00 0.00 O ATOM 248 OD2 ASP A 15 -7.604 10.583 -5.383 1.00 0.00 O ATOM 0 H ASP A 15 -9.276 7.488 -1.899 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.528 8.762 -4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.194 9.477 -3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.588 8.070 -4.018 1.00 0.00 H new ATOM 253 N GLY A 16 -9.382 5.726 -3.955 1.00 0.00 N ATOM 254 CA GLY A 16 -9.318 4.452 -4.705 1.00 0.00 C ATOM 255 C GLY A 16 -7.859 4.244 -5.021 1.00 0.00 C ATOM 256 O GLY A 16 -7.486 3.399 -5.808 1.00 0.00 O ATOM 0 H GLY A 16 -9.139 5.672 -2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.713 3.627 -4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.914 4.503 -5.616 1.00 0.00 H new ATOM 260 N LYS A 17 -7.032 5.007 -4.351 1.00 0.00 N ATOM 261 CA LYS A 17 -5.575 4.886 -4.522 1.00 0.00 C ATOM 262 C LYS A 17 -4.855 5.340 -3.263 1.00 0.00 C ATOM 263 O LYS A 17 -5.272 6.239 -2.561 1.00 0.00 O ATOM 264 CB LYS A 17 -5.062 5.731 -5.665 1.00 0.00 C ATOM 265 CG LYS A 17 -5.802 5.417 -6.973 1.00 0.00 C ATOM 266 CD LYS A 17 -6.977 6.385 -7.148 1.00 0.00 C ATOM 267 CE LYS A 17 -6.455 7.732 -7.655 1.00 0.00 C ATOM 268 NZ LYS A 17 -6.516 7.758 -9.144 1.00 0.00 N ATOM 0 H LYS A 17 -7.324 5.719 -3.682 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.378 3.835 -4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.183 6.787 -5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.995 5.555 -5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.119 5.503 -7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.164 4.389 -6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.699 5.974 -7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.497 6.518 -6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.052 8.545 -7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.430 7.887 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.162 8.673 -9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.929 6.991 -9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.500 7.629 -9.453 1.00 0.00 H new ATOM 282 N LEU A 18 -3.754 4.716 -3.016 1.00 0.00 N ATOM 283 CA LEU A 18 -2.912 5.053 -1.848 1.00 0.00 C ATOM 284 C LEU A 18 -1.567 5.528 -2.301 1.00 0.00 C ATOM 285 O LEU A 18 -1.104 5.197 -3.356 1.00 0.00 O ATOM 286 CB LEU A 18 -2.690 3.843 -1.021 1.00 0.00 C ATOM 287 CG LEU A 18 -3.515 3.934 0.228 1.00 0.00 C ATOM 288 CD1 LEU A 18 -4.983 3.810 -0.084 1.00 0.00 C ATOM 289 CD2 LEU A 18 -3.078 2.809 1.116 1.00 0.00 C ATOM 0 H LEU A 18 -3.388 3.959 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.423 5.828 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.960 2.950 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.634 3.752 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.371 4.900 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.558 3.879 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.281 4.613 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.174 2.848 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.652 2.833 2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.246 1.859 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.017 2.916 1.344 1.00 0.00 H new ATOM 301 N SER A 19 -0.926 6.256 -1.468 1.00 0.00 N ATOM 302 CA SER A 19 0.426 6.742 -1.783 1.00 0.00 C ATOM 303 C SER A 19 1.392 5.906 -0.980 1.00 0.00 C ATOM 304 O SER A 19 1.053 5.401 0.071 1.00 0.00 O ATOM 305 CB SER A 19 0.554 8.186 -1.344 1.00 0.00 C ATOM 306 OG SER A 19 -0.632 8.893 -1.687 1.00 0.00 O ATOM 0 H SER A 19 -1.285 6.545 -0.558 1.00 0.00 H new ATOM 0 HA SER A 19 0.627 6.671 -2.852 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.722 8.237 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.417 8.648 -1.824 1.00 0.00 H new ATOM 0 HG SER A 19 -0.550 9.827 -1.402 1.00 0.00 H new ATOM 312 N LEU A 20 2.592 5.764 -1.429 1.00 0.00 N ATOM 313 CA LEU A 20 3.547 4.976 -0.640 1.00 0.00 C ATOM 314 C LEU A 20 3.493 5.544 0.750 1.00 0.00 C ATOM 315 O LEU A 20 3.764 4.904 1.738 1.00 0.00 O ATOM 316 CB LEU A 20 4.932 5.177 -1.233 1.00 0.00 C ATOM 317 CG LEU A 20 5.936 4.204 -0.624 1.00 0.00 C ATOM 318 CD1 LEU A 20 6.583 4.817 0.602 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.265 2.899 -0.215 1.00 0.00 C ATOM 0 H LEU A 20 2.950 6.156 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 20 3.318 3.910 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.893 5.035 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.261 6.201 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 20 6.689 3.996 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.298 4.112 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.101 5.734 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.816 5.047 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.008 2.227 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.490 3.104 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.816 2.430 -1.091 1.00 0.00 H new ATOM 331 N ASP A 21 3.075 6.755 0.794 1.00 0.00 N ATOM 332 CA ASP A 21 2.910 7.449 2.081 1.00 0.00 C ATOM 333 C ASP A 21 1.807 6.750 2.886 1.00 0.00 C ATOM 334 O ASP A 21 1.975 6.498 4.061 1.00 0.00 O ATOM 335 CB ASP A 21 2.533 8.914 1.841 1.00 0.00 C ATOM 336 CG ASP A 21 3.192 9.407 0.551 1.00 0.00 C ATOM 337 OD1 ASP A 21 4.203 8.839 0.170 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.675 10.346 -0.034 1.00 0.00 O ATOM 0 H ASP A 21 2.833 7.311 -0.026 1.00 0.00 H new ATOM 0 HA ASP A 21 3.847 7.417 2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.450 9.015 1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.855 9.526 2.683 1.00 0.00 H new ATOM 343 N GLU A 22 0.670 6.428 2.294 1.00 0.00 N ATOM 344 CA GLU A 22 -0.382 5.764 3.098 1.00 0.00 C ATOM 345 C GLU A 22 0.005 4.305 3.336 1.00 0.00 C ATOM 346 O GLU A 22 -0.212 3.761 4.397 1.00 0.00 O ATOM 347 CB GLU A 22 -1.715 5.822 2.371 1.00 0.00 C ATOM 348 CG GLU A 22 -2.782 5.138 3.235 1.00 0.00 C ATOM 349 CD GLU A 22 -2.744 5.692 4.664 1.00 0.00 C ATOM 350 OE1 GLU A 22 -1.958 5.189 5.451 1.00 0.00 O ATOM 351 OE2 GLU A 22 -3.502 6.600 4.951 1.00 0.00 O ATOM 0 H GLU A 22 0.442 6.597 1.314 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.477 6.281 4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.994 6.858 2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.639 5.326 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.769 5.299 2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.612 4.061 3.250 1.00 0.00 H new ATOM 358 N PHE A 23 0.593 3.678 2.351 1.00 0.00 N ATOM 359 CA PHE A 23 1.020 2.272 2.492 1.00 0.00 C ATOM 360 C PHE A 23 2.245 2.214 3.419 1.00 0.00 C ATOM 361 O PHE A 23 2.477 1.228 4.080 1.00 0.00 O ATOM 362 CB PHE A 23 1.388 1.730 1.131 1.00 0.00 C ATOM 363 CG PHE A 23 1.815 0.288 1.238 1.00 0.00 C ATOM 364 CD1 PHE A 23 0.898 -0.687 1.637 1.00 0.00 C ATOM 365 CD2 PHE A 23 3.131 -0.071 0.936 1.00 0.00 C ATOM 366 CE1 PHE A 23 1.298 -2.023 1.736 1.00 0.00 C ATOM 367 CE2 PHE A 23 3.533 -1.407 1.034 1.00 0.00 C ATOM 368 CZ PHE A 23 2.617 -2.385 1.436 1.00 0.00 C ATOM 0 H PHE A 23 0.795 4.096 1.443 1.00 0.00 H new ATOM 0 HA PHE A 23 0.213 1.674 2.915 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.536 1.815 0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.195 2.324 0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.120 -0.409 1.869 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.839 0.684 0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.589 -2.777 2.044 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.550 -1.684 0.799 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.926 -3.417 1.515 1.00 0.00 H new ATOM 378 N ARG A 24 3.017 3.284 3.501 1.00 0.00 N ATOM 379 CA ARG A 24 4.193 3.290 4.428 1.00 0.00 C ATOM 380 C ARG A 24 3.669 3.573 5.831 1.00 0.00 C ATOM 381 O ARG A 24 4.197 3.110 6.813 1.00 0.00 O ATOM 382 CB ARG A 24 5.205 4.367 4.015 1.00 0.00 C ATOM 383 CG ARG A 24 6.594 3.985 4.532 1.00 0.00 C ATOM 384 CD ARG A 24 7.494 5.222 4.557 1.00 0.00 C ATOM 385 NE ARG A 24 7.060 6.134 5.652 1.00 0.00 N ATOM 386 CZ ARG A 24 7.843 7.102 6.043 1.00 0.00 C ATOM 387 NH1 ARG A 24 9.001 7.277 5.466 1.00 0.00 N ATOM 388 NH2 ARG A 24 7.468 7.896 7.008 1.00 0.00 N ATOM 0 H ARG A 24 2.880 4.143 2.968 1.00 0.00 H new ATOM 0 HA ARG A 24 4.704 2.328 4.393 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.224 4.467 2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.908 5.335 4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.516 3.560 5.533 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.032 3.218 3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.532 4.926 4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.445 5.739 3.599 1.00 0.00 H new ATOM 0 HE ARG A 24 6.151 6.002 6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.293 6.657 4.710 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.614 8.033 5.771 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.562 7.760 7.457 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.080 8.652 7.313 1.00 0.00 H new ATOM 402 N GLU A 25 2.579 4.283 5.910 1.00 0.00 N ATOM 403 CA GLU A 25 1.955 4.533 7.237 1.00 0.00 C ATOM 404 C GLU A 25 1.281 3.216 7.585 1.00 0.00 C ATOM 405 O GLU A 25 1.281 2.745 8.704 1.00 0.00 O ATOM 406 CB GLU A 25 0.918 5.658 7.135 1.00 0.00 C ATOM 407 CG GLU A 25 1.592 7.006 7.399 1.00 0.00 C ATOM 408 CD GLU A 25 2.739 7.211 6.406 1.00 0.00 C ATOM 409 OE1 GLU A 25 3.647 6.397 6.405 1.00 0.00 O ATOM 410 OE2 GLU A 25 2.687 8.176 5.663 1.00 0.00 O ATOM 0 H GLU A 25 2.095 4.700 5.115 1.00 0.00 H new ATOM 0 HA GLU A 25 2.678 4.844 7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.462 5.656 6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.117 5.494 7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.865 7.812 7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.971 7.040 8.420 1.00 0.00 H new ATOM 417 N VAL A 26 0.748 2.618 6.564 1.00 0.00 N ATOM 418 CA VAL A 26 0.078 1.296 6.650 1.00 0.00 C ATOM 419 C VAL A 26 1.101 0.247 7.056 1.00 0.00 C ATOM 420 O VAL A 26 0.858 -0.622 7.870 1.00 0.00 O ATOM 421 CB VAL A 26 -0.361 0.982 5.215 1.00 0.00 C ATOM 422 CG1 VAL A 26 -0.112 -0.474 4.830 1.00 0.00 C ATOM 423 CG2 VAL A 26 -1.814 1.300 4.995 1.00 0.00 C ATOM 0 H VAL A 26 0.750 3.014 5.624 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.745 1.300 7.364 1.00 0.00 H new ATOM 0 HB VAL A 26 0.252 1.619 4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.441 -0.641 3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.952 -0.694 4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.669 -1.128 5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.086 1.064 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.424 0.707 5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.987 2.360 5.182 1.00 0.00 H new ATOM 433 N ALA A 27 2.231 0.314 6.427 1.00 0.00 N ATOM 434 CA ALA A 27 3.297 -0.675 6.668 1.00 0.00 C ATOM 435 C ALA A 27 4.021 -0.356 7.979 1.00 0.00 C ATOM 436 O ALA A 27 4.227 -1.210 8.813 1.00 0.00 O ATOM 437 CB ALA A 27 4.279 -0.618 5.493 1.00 0.00 C ATOM 0 H ALA A 27 2.463 1.031 5.740 1.00 0.00 H new ATOM 0 HA ALA A 27 2.871 -1.675 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.078 -1.343 5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.753 -0.853 4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.706 0.383 5.424 1.00 0.00 H new ATOM 443 N LEU A 28 4.392 0.872 8.161 1.00 0.00 N ATOM 444 CA LEU A 28 5.095 1.264 9.415 1.00 0.00 C ATOM 445 C LEU A 28 4.158 1.044 10.600 1.00 0.00 C ATOM 446 O LEU A 28 4.588 0.747 11.697 1.00 0.00 O ATOM 447 CB LEU A 28 5.487 2.746 9.357 1.00 0.00 C ATOM 448 CG LEU A 28 6.819 2.939 8.602 1.00 0.00 C ATOM 449 CD1 LEU A 28 6.982 1.903 7.480 1.00 0.00 C ATOM 450 CD2 LEU A 28 6.851 4.343 7.991 1.00 0.00 C ATOM 0 H LEU A 28 4.240 1.629 7.495 1.00 0.00 H new ATOM 0 HA LEU A 28 5.994 0.658 9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.699 3.315 8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.578 3.141 10.369 1.00 0.00 H new ATOM 0 HG LEU A 28 7.636 2.809 9.312 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.930 2.067 6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.968 0.900 7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.163 2.006 6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.790 4.486 7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.017 4.457 7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.768 5.087 8.784 1.00 0.00 H new ATOM 462 N ALA A 29 2.879 1.204 10.395 1.00 0.00 N ATOM 463 CA ALA A 29 1.909 1.022 11.509 1.00 0.00 C ATOM 464 C ALA A 29 1.669 -0.466 11.803 1.00 0.00 C ATOM 465 O ALA A 29 1.882 -0.932 12.905 1.00 0.00 O ATOM 466 CB ALA A 29 0.585 1.670 11.105 1.00 0.00 C ATOM 0 H ALA A 29 2.463 1.454 9.498 1.00 0.00 H new ATOM 0 HA ALA A 29 2.315 1.485 12.408 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.140 1.547 11.909 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.742 2.732 10.917 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.208 1.193 10.200 1.00 0.00 H new ATOM 472 N PHE A 30 1.189 -1.205 10.836 1.00 0.00 N ATOM 473 CA PHE A 30 0.890 -2.651 11.070 1.00 0.00 C ATOM 474 C PHE A 30 2.135 -3.515 10.833 1.00 0.00 C ATOM 475 O PHE A 30 2.463 -4.368 11.633 1.00 0.00 O ATOM 476 CB PHE A 30 -0.230 -3.090 10.116 1.00 0.00 C ATOM 477 CG PHE A 30 -1.196 -4.002 10.843 1.00 0.00 C ATOM 478 CD1 PHE A 30 -2.030 -3.482 11.838 1.00 0.00 C ATOM 479 CD2 PHE A 30 -1.255 -5.363 10.519 1.00 0.00 C ATOM 480 CE1 PHE A 30 -2.925 -4.323 12.511 1.00 0.00 C ATOM 481 CE2 PHE A 30 -2.148 -6.204 11.193 1.00 0.00 C ATOM 482 CZ PHE A 30 -2.984 -5.683 12.188 1.00 0.00 C ATOM 0 H PHE A 30 0.991 -0.870 9.893 1.00 0.00 H new ATOM 0 HA PHE A 30 0.577 -2.782 12.106 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.758 -2.216 9.734 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.195 -3.607 9.256 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.984 -2.432 12.087 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.612 -5.764 9.749 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.570 -3.922 13.279 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.192 -7.254 10.946 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.675 -6.331 12.706 1.00 0.00 H new ATOM 492 N SER A 31 2.822 -3.311 9.743 1.00 0.00 N ATOM 493 CA SER A 31 4.040 -4.131 9.456 1.00 0.00 C ATOM 494 C SER A 31 5.290 -3.265 9.625 1.00 0.00 C ATOM 495 O SER A 31 5.913 -2.878 8.656 1.00 0.00 O ATOM 496 CB SER A 31 3.973 -4.641 8.016 1.00 0.00 C ATOM 497 OG SER A 31 5.056 -5.534 7.783 1.00 0.00 O ATOM 0 H SER A 31 2.595 -2.612 9.036 1.00 0.00 H new ATOM 0 HA SER A 31 4.084 -4.974 10.146 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.024 -5.148 7.841 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.020 -3.804 7.319 1.00 0.00 H new ATOM 0 HG SER A 31 5.360 -5.445 6.856 1.00 0.00 H new ATOM 503 N PRO A 32 5.654 -2.948 10.841 1.00 0.00 N ATOM 504 CA PRO A 32 6.846 -2.098 11.117 1.00 0.00 C ATOM 505 C PRO A 32 8.144 -2.745 10.636 1.00 0.00 C ATOM 506 O PRO A 32 9.139 -2.075 10.435 1.00 0.00 O ATOM 507 CB PRO A 32 6.852 -1.935 12.644 1.00 0.00 C ATOM 508 CG PRO A 32 6.011 -3.051 13.168 1.00 0.00 C ATOM 509 CD PRO A 32 4.980 -3.359 12.086 1.00 0.00 C ATOM 0 HA PRO A 32 6.789 -1.147 10.588 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.866 -1.988 13.040 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.446 -0.967 12.937 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.621 -3.928 13.384 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.523 -2.765 14.099 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.719 -4.417 12.070 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.055 -2.804 12.244 1.00 0.00 H new ATOM 517 N TYR A 33 8.159 -4.037 10.450 1.00 0.00 N ATOM 518 CA TYR A 33 9.407 -4.701 9.992 1.00 0.00 C ATOM 519 C TYR A 33 9.658 -4.389 8.515 1.00 0.00 C ATOM 520 O TYR A 33 10.767 -4.517 8.034 1.00 0.00 O ATOM 521 CB TYR A 33 9.273 -6.215 10.180 1.00 0.00 C ATOM 522 CG TYR A 33 8.486 -6.497 11.440 1.00 0.00 C ATOM 523 CD1 TYR A 33 8.870 -5.906 12.649 1.00 0.00 C ATOM 524 CD2 TYR A 33 7.375 -7.346 11.397 1.00 0.00 C ATOM 525 CE1 TYR A 33 8.144 -6.165 13.817 1.00 0.00 C ATOM 526 CE2 TYR A 33 6.647 -7.605 12.566 1.00 0.00 C ATOM 527 CZ TYR A 33 7.032 -7.014 13.775 1.00 0.00 C ATOM 528 OH TYR A 33 6.315 -7.269 14.927 1.00 0.00 O ATOM 0 H TYR A 33 7.363 -4.658 10.595 1.00 0.00 H new ATOM 0 HA TYR A 33 10.247 -4.329 10.580 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.772 -6.657 9.319 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.260 -6.673 10.244 1.00 0.00 H new ATOM 0 HD1 TYR A 33 9.727 -5.250 12.681 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.079 -7.801 10.464 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.442 -5.710 14.750 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.789 -8.260 12.534 1.00 0.00 H new ATOM 0 HH TYR A 33 5.574 -7.877 14.723 1.00 0.00 H new ATOM 538 N PHE A 34 8.654 -3.980 7.781 1.00 0.00 N ATOM 539 CA PHE A 34 8.897 -3.675 6.342 1.00 0.00 C ATOM 540 C PHE A 34 9.814 -2.482 6.252 1.00 0.00 C ATOM 541 O PHE A 34 9.541 -1.420 6.776 1.00 0.00 O ATOM 542 CB PHE A 34 7.587 -3.349 5.590 1.00 0.00 C ATOM 543 CG PHE A 34 7.221 -4.472 4.647 1.00 0.00 C ATOM 544 CD1 PHE A 34 8.153 -4.926 3.707 1.00 0.00 C ATOM 545 CD2 PHE A 34 5.956 -5.063 4.722 1.00 0.00 C ATOM 546 CE1 PHE A 34 7.824 -5.976 2.846 1.00 0.00 C ATOM 547 CE2 PHE A 34 5.622 -6.113 3.856 1.00 0.00 C ATOM 548 CZ PHE A 34 6.557 -6.572 2.920 1.00 0.00 C ATOM 0 H PHE A 34 7.697 -3.847 8.108 1.00 0.00 H new ATOM 0 HA PHE A 34 9.341 -4.556 5.879 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.780 -3.191 6.306 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.704 -2.421 5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.127 -4.464 3.647 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.237 -4.711 5.447 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.545 -6.328 2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.644 -6.568 3.910 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.302 -7.384 2.256 1.00 0.00 H new ATOM 558 N THR A 35 10.907 -2.654 5.587 1.00 0.00 N ATOM 559 CA THR A 35 11.847 -1.537 5.458 1.00 0.00 C ATOM 560 C THR A 35 11.352 -0.591 4.386 1.00 0.00 C ATOM 561 O THR A 35 10.814 -0.991 3.374 1.00 0.00 O ATOM 562 CB THR A 35 13.230 -2.063 5.106 1.00 0.00 C ATOM 563 OG1 THR A 35 13.170 -3.469 4.904 1.00 0.00 O ATOM 564 CG2 THR A 35 14.151 -1.747 6.266 1.00 0.00 C ATOM 0 H THR A 35 11.187 -3.521 5.129 1.00 0.00 H new ATOM 0 HA THR A 35 11.913 -1.001 6.405 1.00 0.00 H new ATOM 0 HB THR A 35 13.597 -1.598 4.191 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.030 -3.657 3.953 1.00 0.00 H new ATOM 0 HG21 THR A 35 15.154 -2.112 6.044 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.184 -0.669 6.421 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.779 -2.232 7.168 1.00 0.00 H new ATOM 572 N GLN A 36 11.530 0.663 4.617 1.00 0.00 N ATOM 573 CA GLN A 36 11.075 1.667 3.644 1.00 0.00 C ATOM 574 C GLN A 36 11.619 1.341 2.266 1.00 0.00 C ATOM 575 O GLN A 36 11.010 1.642 1.270 1.00 0.00 O ATOM 576 CB GLN A 36 11.616 3.018 4.067 1.00 0.00 C ATOM 577 CG GLN A 36 10.912 4.123 3.261 1.00 0.00 C ATOM 578 CD GLN A 36 11.790 4.589 2.098 1.00 0.00 C ATOM 579 OE1 GLN A 36 13.002 4.524 2.162 1.00 0.00 O ATOM 580 NE2 GLN A 36 11.217 5.063 1.024 1.00 0.00 N ATOM 0 H GLN A 36 11.978 1.042 5.451 1.00 0.00 H new ATOM 0 HA GLN A 36 9.986 1.674 3.609 1.00 0.00 H new ATOM 0 HB2 GLN A 36 11.453 3.170 5.134 1.00 0.00 H new ATOM 0 HB3 GLN A 36 12.692 3.060 3.900 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.961 3.751 2.879 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.686 4.967 3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.200 5.117 0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.787 5.379 0.239 1.00 0.00 H new ATOM 589 N GLU A 37 12.760 0.728 2.203 1.00 0.00 N ATOM 590 CA GLU A 37 13.343 0.400 0.877 1.00 0.00 C ATOM 591 C GLU A 37 12.566 -0.761 0.249 1.00 0.00 C ATOM 592 O GLU A 37 12.327 -0.783 -0.941 1.00 0.00 O ATOM 593 CB GLU A 37 14.813 0.011 1.037 1.00 0.00 C ATOM 594 CG GLU A 37 15.571 1.142 1.733 1.00 0.00 C ATOM 595 CD GLU A 37 15.790 2.292 0.748 1.00 0.00 C ATOM 596 OE1 GLU A 37 16.718 2.203 -0.039 1.00 0.00 O ATOM 597 OE2 GLU A 37 15.026 3.242 0.796 1.00 0.00 O ATOM 0 H GLU A 37 13.315 0.439 3.009 1.00 0.00 H new ATOM 0 HA GLU A 37 13.275 1.274 0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.895 -0.907 1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.255 -0.189 0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.008 1.492 2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.530 0.778 2.102 1.00 0.00 H new ATOM 604 N ASP A 38 12.161 -1.720 1.034 1.00 0.00 N ATOM 605 CA ASP A 38 11.391 -2.861 0.465 1.00 0.00 C ATOM 606 C ASP A 38 9.977 -2.384 0.128 1.00 0.00 C ATOM 607 O ASP A 38 9.375 -2.811 -0.837 1.00 0.00 O ATOM 608 CB ASP A 38 11.320 -3.992 1.493 1.00 0.00 C ATOM 609 CG ASP A 38 12.732 -4.497 1.793 1.00 0.00 C ATOM 610 OD1 ASP A 38 13.431 -3.834 2.543 1.00 0.00 O ATOM 611 OD2 ASP A 38 13.092 -5.540 1.270 1.00 0.00 O ATOM 0 H ASP A 38 12.329 -1.763 2.039 1.00 0.00 H new ATOM 0 HA ASP A 38 11.882 -3.227 -0.437 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.847 -3.637 2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.704 -4.807 1.112 1.00 0.00 H new ATOM 616 N ILE A 39 9.451 -1.494 0.923 1.00 0.00 N ATOM 617 CA ILE A 39 8.079 -0.967 0.677 1.00 0.00 C ATOM 618 C ILE A 39 8.096 -0.066 -0.556 1.00 0.00 C ATOM 619 O ILE A 39 7.232 -0.134 -1.398 1.00 0.00 O ATOM 620 CB ILE A 39 7.641 -0.146 1.892 1.00 0.00 C ATOM 621 CG1 ILE A 39 7.763 -0.999 3.147 1.00 0.00 C ATOM 622 CG2 ILE A 39 6.186 0.290 1.742 1.00 0.00 C ATOM 623 CD1 ILE A 39 7.885 -0.095 4.388 1.00 0.00 C ATOM 0 H ILE A 39 9.919 -1.105 1.742 1.00 0.00 H new ATOM 0 HA ILE A 39 7.388 -1.794 0.515 1.00 0.00 H new ATOM 0 HB ILE A 39 8.279 0.735 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.891 -1.647 3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.636 -1.648 3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.889 0.873 2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.079 0.899 0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.549 -0.591 1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.972 -0.713 5.281 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.770 0.534 4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.999 0.535 4.468 1.00 0.00 H new ATOM 635 N VAL A 40 9.071 0.786 -0.649 1.00 0.00 N ATOM 636 CA VAL A 40 9.160 1.701 -1.810 1.00 0.00 C ATOM 637 C VAL A 40 9.641 0.943 -3.025 1.00 0.00 C ATOM 638 O VAL A 40 9.176 1.166 -4.117 1.00 0.00 O ATOM 639 CB VAL A 40 10.100 2.828 -1.475 1.00 0.00 C ATOM 640 CG1 VAL A 40 9.501 3.599 -0.305 1.00 0.00 C ATOM 641 CG2 VAL A 40 11.465 2.269 -1.110 1.00 0.00 C ATOM 0 H VAL A 40 9.818 0.888 0.038 1.00 0.00 H new ATOM 0 HA VAL A 40 8.177 2.114 -2.035 1.00 0.00 H new ATOM 0 HB VAL A 40 10.230 3.492 -2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.161 4.425 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.525 3.992 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.389 2.933 0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.141 3.089 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.370 1.611 -0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.865 1.705 -1.953 1.00 0.00 H new ATOM 651 N LYS A 41 10.539 0.020 -2.869 1.00 0.00 N ATOM 652 CA LYS A 41 10.956 -0.738 -4.068 1.00 0.00 C ATOM 653 C LYS A 41 9.689 -1.378 -4.618 1.00 0.00 C ATOM 654 O LYS A 41 9.325 -1.188 -5.759 1.00 0.00 O ATOM 655 CB LYS A 41 11.960 -1.830 -3.674 1.00 0.00 C ATOM 656 CG LYS A 41 12.534 -2.501 -4.935 1.00 0.00 C ATOM 657 CD LYS A 41 11.763 -3.789 -5.242 1.00 0.00 C ATOM 658 CE LYS A 41 12.391 -4.480 -6.455 1.00 0.00 C ATOM 659 NZ LYS A 41 11.445 -5.496 -6.993 1.00 0.00 N ATOM 0 H LYS A 41 10.990 -0.237 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 41 11.436 -0.093 -4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.767 -1.397 -3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.471 -2.575 -3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.469 -1.818 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.590 -2.726 -4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.785 -4.454 -4.379 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.716 -3.561 -5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.627 -3.744 -7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.329 -4.956 -6.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.872 -5.966 -7.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.241 -6.204 -6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.561 -5.030 -7.280 1.00 0.00 H new ATOM 673 N PHE A 42 9.023 -2.138 -3.794 1.00 0.00 N ATOM 674 CA PHE A 42 7.772 -2.820 -4.217 1.00 0.00 C ATOM 675 C PHE A 42 6.670 -1.799 -4.549 1.00 0.00 C ATOM 676 O PHE A 42 6.017 -1.906 -5.566 1.00 0.00 O ATOM 677 CB PHE A 42 7.317 -3.740 -3.082 1.00 0.00 C ATOM 678 CG PHE A 42 6.312 -4.733 -3.618 1.00 0.00 C ATOM 679 CD1 PHE A 42 5.015 -4.317 -3.940 1.00 0.00 C ATOM 680 CD2 PHE A 42 6.682 -6.072 -3.800 1.00 0.00 C ATOM 681 CE1 PHE A 42 4.089 -5.240 -4.443 1.00 0.00 C ATOM 682 CE2 PHE A 42 5.757 -6.993 -4.303 1.00 0.00 C ATOM 683 CZ PHE A 42 4.460 -6.578 -4.625 1.00 0.00 C ATOM 0 H PHE A 42 9.299 -2.317 -2.829 1.00 0.00 H new ATOM 0 HA PHE A 42 7.963 -3.400 -5.120 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.173 -4.264 -2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.873 -3.153 -2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 42 4.728 -3.285 -3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 42 7.683 -6.394 -3.552 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.088 -4.919 -4.691 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.044 -8.025 -4.443 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.746 -7.289 -5.014 1.00 0.00 H new ATOM 693 N PHE A 43 6.460 -0.802 -3.726 1.00 0.00 N ATOM 694 CA PHE A 43 5.406 0.209 -4.049 1.00 0.00 C ATOM 695 C PHE A 43 5.796 0.867 -5.363 1.00 0.00 C ATOM 696 O PHE A 43 5.030 0.933 -6.304 1.00 0.00 O ATOM 697 CB PHE A 43 5.378 1.246 -2.937 1.00 0.00 C ATOM 698 CG PHE A 43 4.536 2.445 -3.325 1.00 0.00 C ATOM 699 CD1 PHE A 43 5.004 3.376 -4.257 1.00 0.00 C ATOM 700 CD2 PHE A 43 3.301 2.647 -2.708 1.00 0.00 C ATOM 701 CE1 PHE A 43 4.235 4.499 -4.562 1.00 0.00 C ATOM 702 CE2 PHE A 43 2.538 3.771 -3.019 1.00 0.00 C ATOM 703 CZ PHE A 43 3.006 4.697 -3.943 1.00 0.00 C ATOM 0 H PHE A 43 6.966 -0.645 -2.854 1.00 0.00 H new ATOM 0 HA PHE A 43 4.421 -0.249 -4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.978 0.797 -2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.394 1.570 -2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.958 3.226 -4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.935 1.930 -1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.596 5.218 -5.282 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.581 3.922 -2.541 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.416 5.570 -4.180 1.00 0.00 H new ATOM 713 N GLU A 44 7.014 1.310 -5.431 1.00 0.00 N ATOM 714 CA GLU A 44 7.502 1.923 -6.692 1.00 0.00 C ATOM 715 C GLU A 44 7.260 0.896 -7.801 1.00 0.00 C ATOM 716 O GLU A 44 6.940 1.227 -8.924 1.00 0.00 O ATOM 717 CB GLU A 44 8.997 2.239 -6.583 1.00 0.00 C ATOM 718 CG GLU A 44 9.220 3.339 -5.536 1.00 0.00 C ATOM 719 CD GLU A 44 9.121 4.714 -6.201 1.00 0.00 C ATOM 720 OE1 GLU A 44 10.027 5.058 -6.943 1.00 0.00 O ATOM 721 OE2 GLU A 44 8.140 5.398 -5.958 1.00 0.00 O ATOM 0 H GLU A 44 7.693 1.275 -4.670 1.00 0.00 H new ATOM 0 HA GLU A 44 6.981 2.857 -6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.549 1.341 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.382 2.562 -7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.478 3.254 -4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.199 3.219 -5.071 1.00 0.00 H new ATOM 728 N GLU A 45 7.403 -0.360 -7.463 1.00 0.00 N ATOM 729 CA GLU A 45 7.181 -1.458 -8.438 1.00 0.00 C ATOM 730 C GLU A 45 5.685 -1.696 -8.652 1.00 0.00 C ATOM 731 O GLU A 45 5.250 -2.056 -9.726 1.00 0.00 O ATOM 732 CB GLU A 45 7.772 -2.743 -7.863 1.00 0.00 C ATOM 733 CG GLU A 45 8.270 -3.631 -8.997 1.00 0.00 C ATOM 734 CD GLU A 45 7.104 -3.982 -9.924 1.00 0.00 C ATOM 735 OE1 GLU A 45 6.290 -4.802 -9.535 1.00 0.00 O ATOM 736 OE2 GLU A 45 7.048 -3.425 -11.007 1.00 0.00 O ATOM 0 H GLU A 45 7.671 -0.672 -6.530 1.00 0.00 H new ATOM 0 HA GLU A 45 7.648 -1.185 -9.384 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.593 -2.506 -7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.019 -3.271 -7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.052 -3.118 -9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.713 -4.541 -8.592 1.00 0.00 H new ATOM 743 N ILE A 46 4.899 -1.529 -7.623 1.00 0.00 N ATOM 744 CA ILE A 46 3.440 -1.785 -7.760 1.00 0.00 C ATOM 745 C ILE A 46 2.726 -0.510 -8.211 1.00 0.00 C ATOM 746 O ILE A 46 1.805 -0.562 -8.999 1.00 0.00 O ATOM 747 CB ILE A 46 2.884 -2.303 -6.422 1.00 0.00 C ATOM 748 CG1 ILE A 46 1.892 -3.442 -6.693 1.00 0.00 C ATOM 749 CG2 ILE A 46 2.173 -1.188 -5.670 1.00 0.00 C ATOM 750 CD1 ILE A 46 2.632 -4.679 -7.217 1.00 0.00 C ATOM 0 H ILE A 46 5.204 -1.228 -6.698 1.00 0.00 H new ATOM 0 HA ILE A 46 3.266 -2.547 -8.520 1.00 0.00 H new ATOM 0 HB ILE A 46 3.713 -2.664 -5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.355 -3.691 -5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.148 -3.120 -7.421 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.787 -1.574 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.875 -0.378 -5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.347 -0.812 -6.273 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.916 -5.479 -7.405 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.148 -4.429 -8.144 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.359 -5.010 -6.475 1.00 0.00 H new ATOM 762 N ASP A 47 3.165 0.640 -7.772 1.00 0.00 N ATOM 763 CA ASP A 47 2.515 1.886 -8.256 1.00 0.00 C ATOM 764 C ASP A 47 2.868 1.978 -9.731 1.00 0.00 C ATOM 765 O ASP A 47 3.785 2.673 -10.121 1.00 0.00 O ATOM 766 CB ASP A 47 3.075 3.100 -7.506 1.00 0.00 C ATOM 767 CG ASP A 47 2.652 4.384 -8.220 1.00 0.00 C ATOM 768 OD1 ASP A 47 1.466 4.544 -8.457 1.00 0.00 O ATOM 769 OD2 ASP A 47 3.521 5.187 -8.516 1.00 0.00 O ATOM 0 H ASP A 47 3.932 0.767 -7.111 1.00 0.00 H new ATOM 0 HA ASP A 47 1.437 1.871 -8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.710 3.106 -6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.162 3.040 -7.457 1.00 0.00 H new ATOM 774 N VAL A 48 2.193 1.226 -10.550 1.00 0.00 N ATOM 775 CA VAL A 48 2.511 1.180 -12.011 1.00 0.00 C ATOM 776 C VAL A 48 2.002 2.381 -12.788 1.00 0.00 C ATOM 777 O VAL A 48 2.491 2.691 -13.855 1.00 0.00 O ATOM 778 CB VAL A 48 1.773 -0.024 -12.581 1.00 0.00 C ATOM 779 CG1 VAL A 48 0.266 0.130 -12.317 1.00 0.00 C ATOM 780 CG2 VAL A 48 2.002 -0.093 -14.091 1.00 0.00 C ATOM 0 H VAL A 48 1.417 0.627 -10.267 1.00 0.00 H new ATOM 0 HA VAL A 48 3.596 1.147 -12.106 1.00 0.00 H new ATOM 0 HB VAL A 48 2.144 -0.932 -12.107 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.265 -0.731 -12.724 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.089 0.191 -11.243 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.096 1.039 -12.796 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.474 -0.955 -14.500 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.627 0.818 -14.558 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.069 -0.191 -14.293 1.00 0.00 H new ATOM 790 N ASP A 49 0.995 3.012 -12.313 1.00 0.00 N ATOM 791 CA ASP A 49 0.423 4.136 -13.088 1.00 0.00 C ATOM 792 C ASP A 49 1.327 5.344 -12.928 1.00 0.00 C ATOM 793 O ASP A 49 1.276 6.285 -13.694 1.00 0.00 O ATOM 794 CB ASP A 49 -1.002 4.386 -12.590 1.00 0.00 C ATOM 795 CG ASP A 49 -1.261 5.876 -12.361 1.00 0.00 C ATOM 796 OD1 ASP A 49 -0.909 6.663 -13.222 1.00 0.00 O ATOM 797 OD2 ASP A 49 -1.823 6.201 -11.330 1.00 0.00 O ATOM 0 H ASP A 49 0.536 2.808 -11.425 1.00 0.00 H new ATOM 0 HA ASP A 49 0.366 3.913 -14.153 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.716 3.999 -13.317 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.165 3.840 -11.661 1.00 0.00 H new ATOM 802 N GLY A 50 2.200 5.300 -11.970 1.00 0.00 N ATOM 803 CA GLY A 50 3.161 6.403 -11.783 1.00 0.00 C ATOM 804 C GLY A 50 2.503 7.629 -11.154 1.00 0.00 C ATOM 805 O GLY A 50 3.100 8.684 -11.077 1.00 0.00 O ATOM 0 H GLY A 50 2.287 4.535 -11.301 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.982 6.066 -11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.593 6.676 -12.746 1.00 0.00 H new ATOM 809 N ASN A 51 1.298 7.513 -10.674 1.00 0.00 N ATOM 810 CA ASN A 51 0.666 8.693 -10.029 1.00 0.00 C ATOM 811 C ASN A 51 1.234 8.797 -8.623 1.00 0.00 C ATOM 812 O ASN A 51 0.901 9.682 -7.859 1.00 0.00 O ATOM 813 CB ASN A 51 -0.853 8.517 -9.967 1.00 0.00 C ATOM 814 CG ASN A 51 -1.193 7.290 -9.122 1.00 0.00 C ATOM 815 OD1 ASN A 51 -2.347 7.035 -8.839 1.00 0.00 O ATOM 816 ND2 ASN A 51 -0.234 6.515 -8.700 1.00 0.00 N ATOM 0 H ASN A 51 0.731 6.665 -10.699 1.00 0.00 H new ATOM 0 HA ASN A 51 0.874 9.597 -10.601 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.315 9.406 -9.538 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.257 8.402 -10.973 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.453 5.696 -8.133 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.735 6.728 -8.937 1.00 0.00 H new ATOM 823 N GLY A 52 2.103 7.883 -8.280 1.00 0.00 N ATOM 824 CA GLY A 52 2.716 7.899 -6.931 1.00 0.00 C ATOM 825 C GLY A 52 1.734 7.309 -5.922 1.00 0.00 C ATOM 826 O GLY A 52 1.766 7.634 -4.751 1.00 0.00 O ATOM 0 H GLY A 52 2.413 7.123 -8.885 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.642 7.324 -6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.975 8.920 -6.649 1.00 0.00 H new ATOM 830 N GLU A 53 0.840 6.464 -6.368 1.00 0.00 N ATOM 831 CA GLU A 53 -0.158 5.883 -5.425 1.00 0.00 C ATOM 832 C GLU A 53 -0.534 4.459 -5.828 1.00 0.00 C ATOM 833 O GLU A 53 -0.416 4.067 -6.972 1.00 0.00 O ATOM 834 CB GLU A 53 -1.423 6.763 -5.420 1.00 0.00 C ATOM 835 CG GLU A 53 -1.059 8.205 -5.788 1.00 0.00 C ATOM 836 CD GLU A 53 -2.321 9.069 -5.761 1.00 0.00 C ATOM 837 OE1 GLU A 53 -2.884 9.228 -4.689 1.00 0.00 O ATOM 838 OE2 GLU A 53 -2.705 9.558 -6.812 1.00 0.00 O ATOM 0 H GLU A 53 0.759 6.154 -7.336 1.00 0.00 H new ATOM 0 HA GLU A 53 0.285 5.852 -4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.152 6.371 -6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.890 6.737 -4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.322 8.596 -5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.605 8.236 -6.778 1.00 0.00 H new ATOM 845 N LEU A 54 -1.002 3.688 -4.879 1.00 0.00 N ATOM 846 CA LEU A 54 -1.403 2.299 -5.173 1.00 0.00 C ATOM 847 C LEU A 54 -2.783 2.288 -5.798 1.00 0.00 C ATOM 848 O LEU A 54 -3.752 2.699 -5.204 1.00 0.00 O ATOM 849 CB LEU A 54 -1.502 1.533 -3.868 1.00 0.00 C ATOM 850 CG LEU A 54 -0.141 1.318 -3.221 1.00 0.00 C ATOM 851 CD1 LEU A 54 1.020 1.408 -4.228 1.00 0.00 C ATOM 852 CD2 LEU A 54 -0.003 2.353 -2.139 1.00 0.00 C ATOM 0 H LEU A 54 -1.121 3.974 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.671 1.853 -5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.148 2.076 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.972 0.567 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.086 0.309 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.965 1.247 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.894 0.647 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.024 2.395 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.962 2.237 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.069 3.349 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.802 2.225 -1.409 1.00 0.00 H new ATOM 864 N ASN A 55 -2.874 1.802 -6.986 1.00 0.00 N ATOM 865 CA ASN A 55 -4.204 1.745 -7.658 1.00 0.00 C ATOM 866 C ASN A 55 -4.974 0.530 -7.146 1.00 0.00 C ATOM 867 O ASN A 55 -4.493 -0.222 -6.322 1.00 0.00 O ATOM 868 CB ASN A 55 -4.063 1.646 -9.179 1.00 0.00 C ATOM 869 CG ASN A 55 -2.615 1.355 -9.563 1.00 0.00 C ATOM 870 OD1 ASN A 55 -1.699 1.967 -9.050 1.00 0.00 O ATOM 871 ND2 ASN A 55 -2.371 0.439 -10.456 1.00 0.00 N ATOM 0 H ASN A 55 -2.092 1.439 -7.531 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.741 2.665 -7.426 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.712 0.857 -9.560 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.388 2.578 -9.642 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.409 0.234 -10.726 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.142 -0.073 -10.885 1.00 0.00 H new ATOM 878 N ALA A 56 -6.172 0.346 -7.627 1.00 0.00 N ATOM 879 CA ALA A 56 -7.016 -0.801 -7.166 1.00 0.00 C ATOM 880 C ALA A 56 -6.386 -2.161 -7.538 1.00 0.00 C ATOM 881 O ALA A 56 -6.103 -2.973 -6.673 1.00 0.00 O ATOM 882 CB ALA A 56 -8.409 -0.644 -7.779 1.00 0.00 C ATOM 0 H ALA A 56 -6.610 0.945 -8.327 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.086 -0.788 -6.078 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.043 -1.470 -7.457 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.847 0.299 -7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.331 -0.649 -8.866 1.00 0.00 H new ATOM 888 N ASP A 57 -6.169 -2.451 -8.789 1.00 0.00 N ATOM 889 CA ASP A 57 -5.571 -3.781 -9.126 1.00 0.00 C ATOM 890 C ASP A 57 -4.195 -3.917 -8.460 1.00 0.00 C ATOM 891 O ASP A 57 -3.844 -4.951 -7.907 1.00 0.00 O ATOM 892 CB ASP A 57 -5.415 -3.898 -10.644 1.00 0.00 C ATOM 893 CG ASP A 57 -4.889 -5.290 -10.998 1.00 0.00 C ATOM 894 OD1 ASP A 57 -4.819 -6.119 -10.105 1.00 0.00 O ATOM 895 OD2 ASP A 57 -4.568 -5.504 -12.155 1.00 0.00 O ATOM 0 H ASP A 57 -6.373 -1.842 -9.582 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.226 -4.572 -8.762 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.374 -3.725 -11.133 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.728 -3.134 -11.009 1.00 0.00 H new ATOM 900 N GLU A 58 -3.420 -2.874 -8.493 1.00 0.00 N ATOM 901 CA GLU A 58 -2.081 -2.929 -7.861 1.00 0.00 C ATOM 902 C GLU A 58 -2.280 -3.032 -6.358 1.00 0.00 C ATOM 903 O GLU A 58 -1.489 -3.620 -5.650 1.00 0.00 O ATOM 904 CB GLU A 58 -1.287 -1.666 -8.214 1.00 0.00 C ATOM 905 CG GLU A 58 -0.812 -1.739 -9.668 1.00 0.00 C ATOM 906 CD GLU A 58 0.122 -2.937 -9.862 1.00 0.00 C ATOM 907 OE1 GLU A 58 -0.376 -4.009 -10.162 1.00 0.00 O ATOM 908 OE2 GLU A 58 1.319 -2.758 -9.716 1.00 0.00 O ATOM 0 H GLU A 58 -3.658 -1.984 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.520 -3.791 -8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.909 -0.783 -8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.431 -1.566 -7.547 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.670 -1.827 -10.334 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.294 -0.818 -9.935 1.00 0.00 H new ATOM 915 N PHE A 59 -3.351 -2.474 -5.870 1.00 0.00 N ATOM 916 CA PHE A 59 -3.639 -2.540 -4.416 1.00 0.00 C ATOM 917 C PHE A 59 -3.670 -4.000 -3.981 1.00 0.00 C ATOM 918 O PHE A 59 -3.132 -4.372 -2.958 1.00 0.00 O ATOM 919 CB PHE A 59 -5.039 -1.986 -4.164 1.00 0.00 C ATOM 920 CG PHE A 59 -4.988 -0.596 -3.633 1.00 0.00 C ATOM 921 CD1 PHE A 59 -4.227 -0.301 -2.508 1.00 0.00 C ATOM 922 CD2 PHE A 59 -5.712 0.402 -4.270 1.00 0.00 C ATOM 923 CE1 PHE A 59 -4.198 1.000 -2.032 1.00 0.00 C ATOM 924 CE2 PHE A 59 -5.678 1.688 -3.803 1.00 0.00 C ATOM 925 CZ PHE A 59 -4.927 1.998 -2.689 1.00 0.00 C ATOM 0 H PHE A 59 -4.044 -1.971 -6.424 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.879 -1.977 -3.875 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.610 -2.001 -5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.564 -2.628 -3.456 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.665 -1.077 -2.010 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.306 0.162 -5.140 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.614 1.243 -1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.240 2.460 -4.307 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.901 3.014 -2.322 1.00 0.00 H new ATOM 935 N THR A 60 -4.313 -4.834 -4.756 1.00 0.00 N ATOM 936 CA THR A 60 -4.396 -6.271 -4.391 1.00 0.00 C ATOM 937 C THR A 60 -3.010 -6.873 -4.465 1.00 0.00 C ATOM 938 O THR A 60 -2.600 -7.613 -3.598 1.00 0.00 O ATOM 939 CB THR A 60 -5.341 -6.978 -5.353 1.00 0.00 C ATOM 940 OG1 THR A 60 -4.815 -6.912 -6.673 1.00 0.00 O ATOM 941 CG2 THR A 60 -6.692 -6.273 -5.297 1.00 0.00 C ATOM 0 H THR A 60 -4.783 -4.578 -5.625 1.00 0.00 H new ATOM 0 HA THR A 60 -4.780 -6.386 -3.378 1.00 0.00 H new ATOM 0 HB THR A 60 -5.453 -8.026 -5.074 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.826 -5.983 -6.984 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.387 -6.763 -5.979 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.086 -6.321 -4.282 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.571 -5.230 -5.590 1.00 0.00 H new ATOM 949 N SER A 61 -2.273 -6.538 -5.476 1.00 0.00 N ATOM 950 CA SER A 61 -0.890 -7.070 -5.572 1.00 0.00 C ATOM 951 C SER A 61 -0.015 -6.298 -4.580 1.00 0.00 C ATOM 952 O SER A 61 1.031 -6.766 -4.129 1.00 0.00 O ATOM 953 CB SER A 61 -0.361 -6.868 -6.991 1.00 0.00 C ATOM 954 OG SER A 61 0.847 -7.600 -7.151 1.00 0.00 O ATOM 0 H SER A 61 -2.562 -5.923 -6.237 1.00 0.00 H new ATOM 0 HA SER A 61 -0.875 -8.135 -5.340 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.101 -7.202 -7.718 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.185 -5.809 -7.179 1.00 0.00 H new ATOM 0 HG SER A 61 1.188 -7.474 -8.061 1.00 0.00 H new ATOM 960 N CYS A 62 -0.483 -5.155 -4.144 1.00 0.00 N ATOM 961 CA CYS A 62 0.293 -4.385 -3.137 1.00 0.00 C ATOM 962 C CYS A 62 0.170 -5.109 -1.815 1.00 0.00 C ATOM 963 O CYS A 62 1.109 -5.219 -1.054 1.00 0.00 O ATOM 964 CB CYS A 62 -0.273 -2.970 -3.002 1.00 0.00 C ATOM 965 SG CYS A 62 0.795 -1.999 -1.909 1.00 0.00 S ATOM 0 H CYS A 62 -1.361 -4.729 -4.441 1.00 0.00 H new ATOM 0 HA CYS A 62 1.336 -4.308 -3.442 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.336 -2.497 -3.982 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.285 -3.008 -2.600 1.00 0.00 H new ATOM 0 HG CYS A 62 0.616 -2.378 -0.678 1.00 0.00 H new ATOM 971 N ILE A 63 -0.989 -5.631 -1.551 1.00 0.00 N ATOM 972 CA ILE A 63 -1.181 -6.380 -0.299 1.00 0.00 C ATOM 973 C ILE A 63 -0.715 -7.808 -0.545 1.00 0.00 C ATOM 974 O ILE A 63 -0.154 -8.432 0.333 1.00 0.00 O ATOM 975 CB ILE A 63 -2.656 -6.314 0.121 1.00 0.00 C ATOM 976 CG1 ILE A 63 -2.806 -5.248 1.212 1.00 0.00 C ATOM 977 CG2 ILE A 63 -3.137 -7.664 0.660 1.00 0.00 C ATOM 978 CD1 ILE A 63 -2.185 -3.935 0.731 1.00 0.00 C ATOM 0 H ILE A 63 -1.810 -5.568 -2.153 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.601 -5.953 0.519 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.261 -6.061 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.860 -5.099 1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.318 -5.579 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.185 -7.588 0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.029 -8.424 -0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.540 -7.943 1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.291 -3.177 1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.127 -4.090 0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.693 -3.602 -0.174 1.00 0.00 H new ATOM 990 N GLU A 64 -0.896 -8.345 -1.733 1.00 0.00 N ATOM 991 CA GLU A 64 -0.403 -9.717 -1.980 1.00 0.00 C ATOM 992 C GLU A 64 1.075 -9.737 -1.633 1.00 0.00 C ATOM 993 O GLU A 64 1.644 -10.781 -1.394 1.00 0.00 O ATOM 994 CB GLU A 64 -0.602 -10.092 -3.453 1.00 0.00 C ATOM 995 CG GLU A 64 -0.605 -11.616 -3.598 1.00 0.00 C ATOM 996 CD GLU A 64 -1.914 -12.181 -3.042 1.00 0.00 C ATOM 997 OE1 GLU A 64 -2.881 -11.438 -2.982 1.00 0.00 O ATOM 998 OE2 GLU A 64 -1.929 -13.347 -2.683 1.00 0.00 O ATOM 0 H GLU A 64 -1.357 -7.892 -2.522 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.951 -10.437 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.542 -9.680 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.194 -9.660 -4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.494 -11.892 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.244 -12.044 -3.064 1.00 0.00 H new ATOM 1005 N LYS A 65 1.695 -8.577 -1.559 1.00 0.00 N ATOM 1006 CA LYS A 65 3.132 -8.526 -1.160 1.00 0.00 C ATOM 1007 C LYS A 65 3.356 -9.418 0.083 1.00 0.00 C ATOM 1008 O LYS A 65 4.377 -9.357 0.733 1.00 0.00 O ATOM 1009 CB LYS A 65 3.455 -7.079 -0.804 1.00 0.00 C ATOM 1010 CG LYS A 65 4.960 -6.875 -0.780 1.00 0.00 C ATOM 1011 CD LYS A 65 5.247 -5.396 -0.499 1.00 0.00 C ATOM 1012 CE LYS A 65 6.673 -5.217 0.045 1.00 0.00 C ATOM 1013 NZ LYS A 65 6.646 -4.255 1.183 1.00 0.00 N ATOM 0 H LYS A 65 1.266 -7.673 -1.757 1.00 0.00 H new ATOM 0 HA LYS A 65 3.769 -8.881 -1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.000 -6.406 -1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.030 -6.831 0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.415 -7.501 -0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.397 -7.171 -1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.125 -4.816 -1.414 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.526 -5.010 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.073 -6.176 0.374 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.332 -4.850 -0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.466 -3.619 1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.770 -3.696 1.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.683 -4.778 2.081 1.00 0.00 H new ATOM 1027 N MET A 66 2.390 -10.243 0.384 1.00 0.00 N ATOM 1028 CA MET A 66 2.468 -11.178 1.551 1.00 0.00 C ATOM 1029 C MET A 66 1.984 -10.484 2.829 1.00 0.00 C ATOM 1030 O MET A 66 2.490 -10.733 3.905 1.00 0.00 O ATOM 1031 CB MET A 66 3.906 -11.676 1.751 1.00 0.00 C ATOM 1032 CG MET A 66 4.533 -12.046 0.393 1.00 0.00 C ATOM 1033 SD MET A 66 5.151 -13.747 0.453 1.00 0.00 S ATOM 1034 CE MET A 66 3.550 -14.578 0.292 1.00 0.00 C ATOM 0 H MET A 66 1.521 -10.312 -0.146 1.00 0.00 H new ATOM 0 HA MET A 66 1.823 -12.031 1.342 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.502 -10.904 2.237 1.00 0.00 H new ATOM 0 HB3 MET A 66 3.910 -12.544 2.410 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.792 -11.945 -0.400 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.347 -11.361 0.158 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.698 -15.658 0.306 1.00 0.00 H new ATOM 0 HE2 MET A 66 2.905 -14.289 1.122 1.00 0.00 H new ATOM 0 HE3 MET A 66 3.082 -14.288 -0.649 1.00 0.00 H new ATOM 1044 N LEU A 67 1.006 -9.620 2.721 1.00 0.00 N ATOM 1045 CA LEU A 67 0.481 -8.917 3.935 1.00 0.00 C ATOM 1046 C LEU A 67 0.436 -9.897 5.110 1.00 0.00 C ATOM 1047 CB LEU A 67 -0.933 -8.391 3.631 1.00 0.00 C ATOM 1048 CG LEU A 67 -1.622 -7.859 4.904 1.00 0.00 C ATOM 1049 CD1 LEU A 67 -2.098 -9.020 5.797 1.00 0.00 C ATOM 1050 CD2 LEU A 67 -0.646 -6.971 5.686 1.00 0.00 C ATOM 0 H LEU A 67 0.547 -9.370 1.845 1.00 0.00 H new ATOM 0 HA LEU A 67 1.131 -8.082 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.875 -7.596 2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.534 -9.190 3.197 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.493 -7.274 4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.581 -8.619 6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.809 -9.636 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.242 -9.628 6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.135 -6.596 6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.231 -7.554 5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.339 -6.131 5.063 1.00 0.00 H new TER 1062 LEU A 67