USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 526 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 6 LYS NZ :NH3+ -124:sc= 0.82 (180deg=-0.677) USER MOD Set 1.2: A 18 THR OG1 : rot 71:sc= 0.899 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.653 (180deg=0.322) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -28:sc= 0.629 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -3.89! C(o=-3.9!,f=-5.4!) USER MOD Single : A 30 SER OG : rot -46:sc= 0.127 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= -0.801 (180deg=-0.873) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0471 USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= -0.237 (180deg=-0.884) USER MOD Single : A 44 GLN : amide:sc= -10.6! C(o=-11!,f=-13!) USER MOD Single : A 51 GLN : amide:sc= -0.957 K(o=-0.96,f=-3.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0.0658 K(o=0.066,f=-3.1!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.634 -4.945 -8.868 1.00 0.00 N ATOM 2 CA MET A 1 -2.926 -3.549 -9.291 1.00 0.00 C ATOM 3 C MET A 1 -3.933 -2.861 -8.362 1.00 0.00 C ATOM 4 O MET A 1 -4.232 -1.689 -8.545 1.00 0.00 O ATOM 5 CB MET A 1 -3.474 -3.583 -10.720 1.00 0.00 C ATOM 6 CG MET A 1 -3.236 -2.297 -11.493 1.00 0.00 C ATOM 7 SD MET A 1 -2.965 -2.584 -13.252 1.00 0.00 S ATOM 8 CE MET A 1 -1.276 -2.016 -13.431 1.00 0.00 C ATOM 0 H1 MET A 1 -2.086 -5.425 -9.610 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.084 -4.932 -7.985 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.527 -5.455 -8.712 1.00 0.00 H new ATOM 0 HA MET A 1 -2.003 -2.972 -9.242 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.012 -4.411 -11.258 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.545 -3.783 -10.685 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.093 -1.636 -11.365 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.371 -1.781 -11.075 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.962 -2.130 -14.469 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.213 -0.966 -13.146 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.624 -2.606 -12.788 1.00 0.00 H new ATOM 20 N ARG A 2 -4.450 -3.587 -7.368 1.00 0.00 N ATOM 21 CA ARG A 2 -5.426 -3.026 -6.426 1.00 0.00 C ATOM 22 C ARG A 2 -5.515 -3.799 -5.129 1.00 0.00 C ATOM 23 O ARG A 2 -5.470 -5.034 -5.097 1.00 0.00 O ATOM 24 CB ARG A 2 -6.807 -2.969 -7.060 1.00 0.00 C ATOM 25 CG ARG A 2 -6.928 -1.893 -8.106 1.00 0.00 C ATOM 26 CD ARG A 2 -8.373 -1.654 -8.495 1.00 0.00 C ATOM 27 NE ARG A 2 -8.892 -2.712 -9.360 1.00 0.00 N ATOM 28 CZ ARG A 2 -8.678 -2.775 -10.675 1.00 0.00 C ATOM 29 NH1 ARG A 2 -7.956 -1.844 -11.289 1.00 0.00 N ATOM 30 NH2 ARG A 2 -9.189 -3.777 -11.379 1.00 0.00 N ATOM 0 H ARG A 2 -4.211 -4.563 -7.193 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.072 -2.023 -6.190 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.034 -3.935 -7.512 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.551 -2.798 -6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.494 -0.967 -7.728 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.355 -2.177 -8.989 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.984 -1.590 -7.595 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.456 -0.695 -9.006 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.453 -3.448 -8.931 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.559 -1.071 -10.754 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.799 -1.902 -12.295 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.744 -4.496 -10.914 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.027 -3.828 -12.385 1.00 0.00 H new ATOM 44 N GLY A 3 -5.673 -3.047 -4.057 1.00 0.00 N ATOM 45 CA GLY A 3 -5.794 -3.644 -2.755 1.00 0.00 C ATOM 46 C GLY A 3 -6.828 -3.000 -1.875 1.00 0.00 C ATOM 47 O GLY A 3 -7.869 -2.527 -2.328 1.00 0.00 O ATOM 0 H GLY A 3 -5.720 -2.028 -4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -6.040 -4.699 -2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.827 -3.596 -2.255 1.00 0.00 H new ATOM 51 N LYS A 4 -6.494 -2.993 -0.601 1.00 0.00 N ATOM 52 CA LYS A 4 -7.299 -2.428 0.444 1.00 0.00 C ATOM 53 C LYS A 4 -6.341 -1.816 1.437 1.00 0.00 C ATOM 54 O LYS A 4 -5.191 -2.214 1.464 1.00 0.00 O ATOM 55 CB LYS A 4 -8.172 -3.499 1.108 1.00 0.00 C ATOM 56 CG LYS A 4 -9.656 -3.340 0.809 1.00 0.00 C ATOM 57 CD LYS A 4 -10.506 -3.519 2.058 1.00 0.00 C ATOM 58 CE LYS A 4 -11.008 -4.948 2.197 1.00 0.00 C ATOM 59 NZ LYS A 4 -10.233 -5.713 3.213 1.00 0.00 N ATOM 0 H LYS A 4 -5.622 -3.397 -0.260 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.983 -1.678 0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.845 -4.483 0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.020 -3.463 2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.837 -2.353 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.956 -4.070 0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.921 -3.252 2.938 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.355 -2.837 2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.061 -4.937 2.477 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.939 -5.452 1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.606 -6.682 3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.232 -5.746 2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.319 -5.247 4.139 1.00 0.00 H new ATOM 73 N VAL A 5 -6.774 -0.891 2.273 1.00 0.00 N ATOM 74 CA VAL A 5 -5.851 -0.313 3.222 1.00 0.00 C ATOM 75 C VAL A 5 -6.323 -0.593 4.592 1.00 0.00 C ATOM 76 O VAL A 5 -7.513 -0.459 4.892 1.00 0.00 O ATOM 77 CB VAL A 5 -5.671 1.200 3.087 1.00 0.00 C ATOM 78 CG1 VAL A 5 -4.498 1.638 3.937 1.00 0.00 C ATOM 79 CG2 VAL A 5 -5.459 1.596 1.649 1.00 0.00 C ATOM 0 H VAL A 5 -7.729 -0.535 2.313 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.885 -0.772 3.012 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.578 1.696 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.364 2.716 3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.689 1.384 4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.594 1.130 3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.334 2.677 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.566 1.104 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.323 1.294 1.057 1.00 0.00 H new ATOM 89 N LYS A 6 -5.362 -1.039 5.392 1.00 0.00 N ATOM 90 CA LYS A 6 -5.627 -1.421 6.760 1.00 0.00 C ATOM 91 C LYS A 6 -4.767 -0.632 7.751 1.00 0.00 C ATOM 92 O LYS A 6 -5.171 -0.436 8.896 1.00 0.00 O ATOM 93 CB LYS A 6 -5.410 -2.928 6.895 1.00 0.00 C ATOM 94 CG LYS A 6 -3.970 -3.372 6.733 1.00 0.00 C ATOM 95 CD LYS A 6 -3.715 -4.669 7.488 1.00 0.00 C ATOM 96 CE LYS A 6 -4.044 -5.886 6.639 1.00 0.00 C ATOM 97 NZ LYS A 6 -5.509 -6.148 6.590 1.00 0.00 N ATOM 0 H LYS A 6 -4.388 -1.143 5.108 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.661 -1.181 7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.768 -3.248 7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.020 -3.439 6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.745 -3.511 5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.301 -2.594 7.102 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.670 -4.712 7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.316 -4.686 8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.668 -5.735 5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.532 -6.760 7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.699 -7.118 6.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.003 -5.474 7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.849 -6.035 5.614 1.00 0.00 H new ATOM 111 N TRP A 7 -3.597 -0.158 7.312 1.00 0.00 N ATOM 112 CA TRP A 7 -2.722 0.624 8.193 1.00 0.00 C ATOM 113 C TRP A 7 -1.754 1.528 7.416 1.00 0.00 C ATOM 114 O TRP A 7 -1.142 1.108 6.437 1.00 0.00 O ATOM 115 CB TRP A 7 -1.918 -0.302 9.111 1.00 0.00 C ATOM 116 CG TRP A 7 -2.765 -1.235 9.922 1.00 0.00 C ATOM 117 CD1 TRP A 7 -2.915 -2.576 9.728 1.00 0.00 C ATOM 118 CD2 TRP A 7 -3.575 -0.901 11.056 1.00 0.00 C ATOM 119 NE1 TRP A 7 -3.775 -3.097 10.660 1.00 0.00 N ATOM 120 CE2 TRP A 7 -4.193 -2.090 11.490 1.00 0.00 C ATOM 121 CE3 TRP A 7 -3.841 0.287 11.743 1.00 0.00 C ATOM 122 CZ2 TRP A 7 -5.059 -2.124 12.580 1.00 0.00 C ATOM 123 CZ3 TRP A 7 -4.700 0.250 12.826 1.00 0.00 C ATOM 124 CH2 TRP A 7 -5.299 -0.947 13.236 1.00 0.00 C ATOM 0 H TRP A 7 -3.237 -0.298 6.368 1.00 0.00 H new ATOM 0 HA TRP A 7 -3.375 1.265 8.785 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.227 -0.888 8.505 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -1.315 0.305 9.786 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.427 -3.146 8.952 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -4.058 -4.075 10.725 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.384 1.216 11.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.524 -3.046 12.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -4.913 1.161 13.365 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.964 -0.942 14.087 1.00 0.00 H new ATOM 135 N PHE A 8 -1.609 2.767 7.900 1.00 0.00 N ATOM 136 CA PHE A 8 -0.695 3.758 7.315 1.00 0.00 C ATOM 137 C PHE A 8 0.316 4.207 8.374 1.00 0.00 C ATOM 138 O PHE A 8 -0.073 4.728 9.418 1.00 0.00 O ATOM 139 CB PHE A 8 -1.438 4.999 6.853 1.00 0.00 C ATOM 140 CG PHE A 8 -0.620 5.800 5.891 1.00 0.00 C ATOM 141 CD1 PHE A 8 -0.155 5.203 4.741 1.00 0.00 C ATOM 142 CD2 PHE A 8 -0.315 7.132 6.118 1.00 0.00 C ATOM 143 CE1 PHE A 8 0.577 5.890 3.834 1.00 0.00 C ATOM 144 CE2 PHE A 8 0.437 7.842 5.200 1.00 0.00 C ATOM 145 CZ PHE A 8 0.883 7.218 4.050 1.00 0.00 C ATOM 0 H PHE A 8 -2.123 3.113 8.710 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.206 3.285 6.463 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.376 4.708 6.380 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.693 5.614 7.716 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.380 4.162 4.559 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.666 7.618 7.016 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.923 5.397 2.938 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.675 8.880 5.381 1.00 0.00 H new ATOM 0 HZ PHE A 8 1.467 7.766 3.326 1.00 0.00 H new ATOM 155 N ASP A 9 1.597 4.033 8.107 1.00 0.00 N ATOM 156 CA ASP A 9 2.636 4.453 9.043 1.00 0.00 C ATOM 157 C ASP A 9 3.700 5.262 8.311 1.00 0.00 C ATOM 158 O ASP A 9 3.678 5.346 7.083 1.00 0.00 O ATOM 159 CB ASP A 9 3.265 3.237 9.731 1.00 0.00 C ATOM 160 CG ASP A 9 3.308 3.384 11.239 1.00 0.00 C ATOM 161 OD1 ASP A 9 2.238 3.607 11.844 1.00 0.00 O ATOM 162 OD2 ASP A 9 4.410 3.277 11.816 1.00 0.00 O ATOM 0 H ASP A 9 1.948 3.604 7.251 1.00 0.00 H new ATOM 0 HA ASP A 9 2.183 5.081 9.810 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.698 2.343 9.472 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.277 3.093 9.354 1.00 0.00 H new ATOM 167 N SER A 10 4.629 5.864 9.053 1.00 0.00 N ATOM 168 CA SER A 10 5.671 6.651 8.452 1.00 0.00 C ATOM 169 C SER A 10 5.076 7.874 7.792 1.00 0.00 C ATOM 170 O SER A 10 3.959 7.844 7.273 1.00 0.00 O ATOM 171 CB SER A 10 6.478 5.824 7.436 1.00 0.00 C ATOM 172 OG SER A 10 5.921 5.902 6.132 1.00 0.00 O ATOM 0 H SER A 10 4.669 5.813 10.071 1.00 0.00 H new ATOM 0 HA SER A 10 6.357 6.970 9.236 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.508 6.180 7.413 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.508 4.783 7.757 1.00 0.00 H new ATOM 0 HG SER A 10 4.957 6.066 6.197 1.00 0.00 H new ATOM 178 N LYS A 11 5.830 8.942 7.825 1.00 0.00 N ATOM 179 CA LYS A 11 5.393 10.201 7.239 1.00 0.00 C ATOM 180 C LYS A 11 5.240 10.072 5.719 1.00 0.00 C ATOM 181 O LYS A 11 4.583 10.900 5.089 1.00 0.00 O ATOM 182 CB LYS A 11 6.391 11.314 7.568 1.00 0.00 C ATOM 183 CG LYS A 11 6.181 11.930 8.942 1.00 0.00 C ATOM 184 CD LYS A 11 6.937 13.241 9.085 1.00 0.00 C ATOM 185 CE LYS A 11 6.420 14.059 10.256 1.00 0.00 C ATOM 186 NZ LYS A 11 6.706 13.402 11.562 1.00 0.00 N ATOM 0 H LYS A 11 6.756 8.974 8.252 1.00 0.00 H new ATOM 0 HA LYS A 11 4.422 10.454 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.403 10.913 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.314 12.096 6.812 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.117 12.102 9.106 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.513 11.231 9.710 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.999 13.036 9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.841 13.819 8.166 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.879 15.048 10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.345 14.205 10.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.337 13.992 12.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.247 12.469 11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.733 13.286 11.675 1.00 0.00 H new ATOM 200 N LYS A 12 5.816 9.016 5.136 1.00 0.00 N ATOM 201 CA LYS A 12 5.702 8.778 3.711 1.00 0.00 C ATOM 202 C LYS A 12 4.719 7.613 3.484 1.00 0.00 C ATOM 203 O LYS A 12 3.592 7.685 3.977 1.00 0.00 O ATOM 204 CB LYS A 12 7.091 8.527 3.121 1.00 0.00 C ATOM 205 CG LYS A 12 7.943 9.785 3.034 1.00 0.00 C ATOM 206 CD LYS A 12 9.383 9.518 3.445 1.00 0.00 C ATOM 207 CE LYS A 12 10.233 10.774 3.346 1.00 0.00 C ATOM 208 NZ LYS A 12 11.368 10.755 4.309 1.00 0.00 N ATOM 0 H LYS A 12 6.364 8.317 5.637 1.00 0.00 H new ATOM 0 HA LYS A 12 5.300 9.648 3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.609 7.787 3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.983 8.100 2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.921 10.170 2.014 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.519 10.557 3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.407 9.141 4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.806 8.740 2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.620 10.871 2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.611 11.649 3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.923 11.629 4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.999 10.688 5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.976 9.935 4.112 1.00 0.00 H new ATOM 222 N GLY A 13 5.095 6.555 2.743 1.00 0.00 N ATOM 223 CA GLY A 13 4.142 5.465 2.517 1.00 0.00 C ATOM 224 C GLY A 13 4.459 4.134 3.199 1.00 0.00 C ATOM 225 O GLY A 13 4.850 3.185 2.522 1.00 0.00 O ATOM 0 H GLY A 13 6.011 6.436 2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.159 5.795 2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.070 5.291 1.443 1.00 0.00 H new ATOM 229 N TYR A 14 4.265 4.033 4.497 1.00 0.00 N ATOM 230 CA TYR A 14 4.507 2.779 5.198 1.00 0.00 C ATOM 231 C TYR A 14 3.177 2.263 5.712 1.00 0.00 C ATOM 232 O TYR A 14 2.224 3.032 5.839 1.00 0.00 O ATOM 233 CB TYR A 14 5.493 2.964 6.360 1.00 0.00 C ATOM 234 CG TYR A 14 5.927 1.669 7.023 1.00 0.00 C ATOM 235 CD1 TYR A 14 5.119 1.044 7.966 1.00 0.00 C ATOM 236 CD2 TYR A 14 7.147 1.076 6.717 1.00 0.00 C ATOM 237 CE1 TYR A 14 5.511 -0.131 8.580 1.00 0.00 C ATOM 238 CE2 TYR A 14 7.544 -0.100 7.326 1.00 0.00 C ATOM 239 CZ TYR A 14 6.723 -0.699 8.255 1.00 0.00 C ATOM 240 OH TYR A 14 7.116 -1.869 8.864 1.00 0.00 O ATOM 0 H TYR A 14 3.942 4.797 5.090 1.00 0.00 H new ATOM 0 HA TYR A 14 4.955 2.062 4.510 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.377 3.484 5.992 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.035 3.607 7.111 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.167 1.485 8.224 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.796 1.542 5.991 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.870 -0.601 9.311 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.494 -0.547 7.074 1.00 0.00 H new ATOM 0 HH TYR A 14 7.995 -2.137 8.522 1.00 0.00 H new ATOM 250 N GLY A 15 3.103 0.979 6.004 1.00 0.00 N ATOM 251 CA GLY A 15 1.859 0.425 6.510 1.00 0.00 C ATOM 252 C GLY A 15 1.547 -0.974 6.051 1.00 0.00 C ATOM 253 O GLY A 15 2.439 -1.766 5.744 1.00 0.00 O ATOM 0 H GLY A 15 3.868 0.312 5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.893 0.434 7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.040 1.079 6.211 1.00 0.00 H new ATOM 257 N PHE A 16 0.251 -1.263 6.011 1.00 0.00 N ATOM 258 CA PHE A 16 -0.245 -2.549 5.599 1.00 0.00 C ATOM 259 C PHE A 16 -1.376 -2.371 4.616 1.00 0.00 C ATOM 260 O PHE A 16 -2.172 -1.432 4.721 1.00 0.00 O ATOM 261 CB PHE A 16 -0.777 -3.335 6.779 1.00 0.00 C ATOM 262 CG PHE A 16 0.283 -3.949 7.649 1.00 0.00 C ATOM 263 CD1 PHE A 16 1.175 -3.146 8.342 1.00 0.00 C ATOM 264 CD2 PHE A 16 0.383 -5.323 7.779 1.00 0.00 C ATOM 265 CE1 PHE A 16 2.147 -3.705 9.149 1.00 0.00 C ATOM 266 CE2 PHE A 16 1.352 -5.888 8.584 1.00 0.00 C ATOM 267 CZ PHE A 16 2.236 -5.077 9.270 1.00 0.00 C ATOM 0 H PHE A 16 -0.481 -0.600 6.267 1.00 0.00 H new ATOM 0 HA PHE A 16 0.585 -3.090 5.144 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.393 -2.676 7.390 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.428 -4.127 6.408 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.110 -2.072 8.250 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.305 -5.961 7.244 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.836 -3.069 9.685 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.419 -6.962 8.677 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.995 -5.516 9.900 1.00 0.00 H new ATOM 277 N ILE A 17 -1.441 -3.262 3.658 1.00 0.00 N ATOM 278 CA ILE A 17 -2.461 -3.199 2.637 1.00 0.00 C ATOM 279 C ILE A 17 -3.114 -4.568 2.453 1.00 0.00 C ATOM 280 O ILE A 17 -2.510 -5.566 2.769 1.00 0.00 O ATOM 281 CB ILE A 17 -1.830 -2.792 1.275 1.00 0.00 C ATOM 282 CG1 ILE A 17 -0.712 -1.750 1.465 1.00 0.00 C ATOM 283 CG2 ILE A 17 -2.894 -2.382 0.243 1.00 0.00 C ATOM 284 CD1 ILE A 17 -0.993 -0.389 0.948 1.00 0.00 C ATOM 0 H ILE A 17 -0.795 -4.046 3.563 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.203 -2.464 2.951 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.349 -3.673 0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.492 -1.674 2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.190 -2.122 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.407 -2.106 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.571 -3.218 0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.460 -1.531 0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.136 0.257 1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.179 -0.439 -0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.871 0.017 1.450 1.00 0.00 H new ATOM 296 N THR A 18 -4.327 -4.629 1.914 1.00 0.00 N ATOM 297 CA THR A 18 -4.972 -5.934 1.674 1.00 0.00 C ATOM 298 C THR A 18 -5.312 -6.092 0.199 1.00 0.00 C ATOM 299 O THR A 18 -6.089 -5.330 -0.346 1.00 0.00 O ATOM 300 CB THR A 18 -6.243 -6.111 2.517 1.00 0.00 C ATOM 301 OG1 THR A 18 -5.932 -6.098 3.900 1.00 0.00 O ATOM 302 CG2 THR A 18 -6.995 -7.409 2.227 1.00 0.00 C ATOM 0 H THR A 18 -4.880 -3.817 1.638 1.00 0.00 H new ATOM 0 HA THR A 18 -4.261 -6.705 1.972 1.00 0.00 H new ATOM 0 HB THR A 18 -6.884 -5.273 2.243 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.677 -5.191 4.170 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.881 -7.465 2.859 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.295 -7.429 1.179 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.346 -8.260 2.435 1.00 0.00 H new ATOM 310 N LYS A 19 -4.741 -7.100 -0.449 1.00 0.00 N ATOM 311 CA LYS A 19 -5.016 -7.310 -1.867 1.00 0.00 C ATOM 312 C LYS A 19 -6.479 -7.685 -2.055 1.00 0.00 C ATOM 313 O LYS A 19 -7.047 -8.385 -1.216 1.00 0.00 O ATOM 314 CB LYS A 19 -4.080 -8.377 -2.459 1.00 0.00 C ATOM 315 CG LYS A 19 -4.501 -9.817 -2.189 1.00 0.00 C ATOM 316 CD LYS A 19 -5.127 -10.463 -3.421 1.00 0.00 C ATOM 317 CE LYS A 19 -4.233 -11.547 -4.004 1.00 0.00 C ATOM 318 NZ LYS A 19 -4.996 -12.495 -4.862 1.00 0.00 N ATOM 0 H LYS A 19 -4.099 -7.772 -0.028 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.825 -6.382 -2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.017 -8.228 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.078 -8.225 -2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.633 -10.397 -1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.214 -9.839 -1.365 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.093 -10.892 -3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.314 -9.700 -4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.439 -11.086 -4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.753 -12.096 -3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.351 -13.218 -5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.738 -12.955 -4.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.433 -11.975 -5.650 1.00 0.00 H new ATOM 332 N ASP A 20 -7.072 -7.181 -3.156 1.00 0.00 N ATOM 333 CA ASP A 20 -8.496 -7.393 -3.520 1.00 0.00 C ATOM 334 C ASP A 20 -9.247 -8.355 -2.572 1.00 0.00 C ATOM 335 O ASP A 20 -9.769 -7.928 -1.542 1.00 0.00 O ATOM 336 CB ASP A 20 -8.591 -7.862 -4.982 1.00 0.00 C ATOM 337 CG ASP A 20 -10.021 -8.098 -5.433 1.00 0.00 C ATOM 338 OD1 ASP A 20 -10.946 -7.586 -4.766 1.00 0.00 O ATOM 339 OD2 ASP A 20 -10.215 -8.793 -6.453 1.00 0.00 O ATOM 0 H ASP A 20 -6.570 -6.605 -3.832 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.999 -6.433 -3.408 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.130 -7.116 -5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.021 -8.783 -5.101 1.00 0.00 H new ATOM 344 N GLU A 21 -9.279 -9.642 -2.906 1.00 0.00 N ATOM 345 CA GLU A 21 -9.938 -10.636 -2.064 1.00 0.00 C ATOM 346 C GLU A 21 -8.921 -11.634 -1.526 1.00 0.00 C ATOM 347 O GLU A 21 -9.225 -12.814 -1.352 1.00 0.00 O ATOM 348 CB GLU A 21 -11.005 -11.375 -2.864 1.00 0.00 C ATOM 349 CG GLU A 21 -12.317 -10.616 -2.981 1.00 0.00 C ATOM 350 CD GLU A 21 -12.943 -10.747 -4.356 1.00 0.00 C ATOM 351 OE1 GLU A 21 -12.190 -10.903 -5.340 1.00 0.00 O ATOM 352 OE2 GLU A 21 -14.188 -10.694 -4.449 1.00 0.00 O ATOM 0 H GLU A 21 -8.856 -10.021 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.408 -10.122 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.622 -11.577 -3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.195 -12.340 -2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.015 -10.986 -2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.144 -9.562 -2.763 1.00 0.00 H new ATOM 359 N GLY A 22 -7.701 -11.164 -1.308 1.00 0.00 N ATOM 360 CA GLY A 22 -6.642 -12.041 -0.842 1.00 0.00 C ATOM 361 C GLY A 22 -6.306 -11.926 0.636 1.00 0.00 C ATOM 362 O GLY A 22 -7.051 -12.401 1.492 1.00 0.00 O ATOM 0 H GLY A 22 -7.424 -10.192 -1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.927 -13.072 -1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.741 -11.834 -1.420 1.00 0.00 H new ATOM 366 N GLY A 23 -5.157 -11.317 0.923 1.00 0.00 N ATOM 367 CA GLY A 23 -4.697 -11.170 2.289 1.00 0.00 C ATOM 368 C GLY A 23 -4.189 -9.781 2.577 1.00 0.00 C ATOM 369 O GLY A 23 -4.726 -8.810 2.075 1.00 0.00 O ATOM 0 H GLY A 23 -4.532 -10.919 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.514 -11.404 2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.903 -11.892 2.482 1.00 0.00 H new ATOM 373 N ASP A 24 -3.131 -9.682 3.373 1.00 0.00 N ATOM 374 CA ASP A 24 -2.564 -8.384 3.714 1.00 0.00 C ATOM 375 C ASP A 24 -1.123 -8.254 3.244 1.00 0.00 C ATOM 376 O ASP A 24 -0.452 -9.240 2.935 1.00 0.00 O ATOM 377 CB ASP A 24 -2.635 -8.160 5.224 1.00 0.00 C ATOM 378 CG ASP A 24 -1.870 -9.213 6.002 1.00 0.00 C ATOM 379 OD1 ASP A 24 -2.219 -10.407 5.886 1.00 0.00 O ATOM 380 OD2 ASP A 24 -0.921 -8.844 6.726 1.00 0.00 O ATOM 0 H ASP A 24 -2.652 -10.479 3.792 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.154 -7.624 3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.234 -7.174 5.461 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.678 -8.165 5.540 1.00 0.00 H new ATOM 385 N VAL A 25 -0.678 -7.010 3.179 1.00 0.00 N ATOM 386 CA VAL A 25 0.650 -6.669 2.739 1.00 0.00 C ATOM 387 C VAL A 25 1.319 -5.744 3.726 1.00 0.00 C ATOM 388 O VAL A 25 0.761 -5.365 4.757 1.00 0.00 O ATOM 389 CB VAL A 25 0.640 -6.020 1.297 1.00 0.00 C ATOM 390 CG1 VAL A 25 0.792 -4.479 1.277 1.00 0.00 C ATOM 391 CG2 VAL A 25 1.747 -6.624 0.469 1.00 0.00 C ATOM 0 H VAL A 25 -1.244 -6.201 3.436 1.00 0.00 H new ATOM 0 HA VAL A 25 1.222 -7.595 2.683 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.346 -6.237 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.774 -4.125 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.030 -4.025 1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.739 -4.201 1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.742 -6.178 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.707 -6.431 0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.593 -7.700 0.385 1.00 0.00 H new ATOM 401 N PHE A 26 2.500 -5.361 3.340 1.00 0.00 N ATOM 402 CA PHE A 26 3.314 -4.458 4.069 1.00 0.00 C ATOM 403 C PHE A 26 3.749 -3.394 3.094 1.00 0.00 C ATOM 404 O PHE A 26 3.751 -3.633 1.893 1.00 0.00 O ATOM 405 CB PHE A 26 4.525 -5.186 4.622 1.00 0.00 C ATOM 406 CG PHE A 26 4.174 -6.155 5.699 1.00 0.00 C ATOM 407 CD1 PHE A 26 3.390 -7.255 5.410 1.00 0.00 C ATOM 408 CD2 PHE A 26 4.611 -5.963 6.995 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.046 -8.151 6.398 1.00 0.00 C ATOM 410 CE2 PHE A 26 4.270 -6.855 7.990 1.00 0.00 C ATOM 411 CZ PHE A 26 3.485 -7.953 7.692 1.00 0.00 C ATOM 0 H PHE A 26 2.931 -5.686 2.475 1.00 0.00 H new ATOM 0 HA PHE A 26 2.773 -4.024 4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.026 -5.716 3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.235 -4.457 5.013 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.043 -7.414 4.400 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.225 -5.107 7.231 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.433 -9.008 6.161 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.616 -6.696 9.001 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.216 -8.654 8.469 1.00 0.00 H new ATOM 421 N VAL A 27 4.087 -2.227 3.579 1.00 0.00 N ATOM 422 CA VAL A 27 4.498 -1.157 2.689 1.00 0.00 C ATOM 423 C VAL A 27 5.524 -0.286 3.416 1.00 0.00 C ATOM 424 O VAL A 27 5.447 -0.097 4.629 1.00 0.00 O ATOM 425 CB VAL A 27 3.269 -0.422 2.047 1.00 0.00 C ATOM 426 CG1 VAL A 27 1.934 -0.981 2.563 1.00 0.00 C ATOM 427 CG2 VAL A 27 3.337 1.087 2.167 1.00 0.00 C ATOM 0 H VAL A 27 4.088 -1.989 4.571 1.00 0.00 H new ATOM 0 HA VAL A 27 5.010 -1.546 1.809 1.00 0.00 H new ATOM 0 HB VAL A 27 3.322 -0.634 0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.109 -0.445 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.864 -2.041 2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.880 -0.855 3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.456 1.529 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.371 1.367 3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.233 1.452 1.666 1.00 0.00 H new ATOM 437 N HIS A 28 6.554 0.117 2.684 1.00 0.00 N ATOM 438 CA HIS A 28 7.687 0.827 3.277 1.00 0.00 C ATOM 439 C HIS A 28 7.620 2.346 3.284 1.00 0.00 C ATOM 440 O HIS A 28 7.906 2.949 4.313 1.00 0.00 O ATOM 441 CB HIS A 28 8.964 0.405 2.554 1.00 0.00 C ATOM 442 CG HIS A 28 10.213 0.674 3.334 1.00 0.00 C ATOM 443 ND1 HIS A 28 11.451 0.832 2.746 1.00 0.00 N ATOM 444 CD2 HIS A 28 10.412 0.813 4.668 1.00 0.00 C ATOM 445 CE1 HIS A 28 12.356 1.057 3.681 1.00 0.00 C ATOM 446 NE2 HIS A 28 11.751 1.051 4.855 1.00 0.00 N ATOM 0 H HIS A 28 6.631 -0.034 1.678 1.00 0.00 H new ATOM 0 HA HIS A 28 7.666 0.542 4.329 1.00 0.00 H new ATOM 0 HB2 HIS A 28 8.909 -0.660 2.329 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.022 0.930 1.600 1.00 0.00 H new ATOM 0 HD2 HIS A 28 9.658 0.749 5.439 1.00 0.00 H new ATOM 0 HE1 HIS A 28 13.411 1.218 3.514 1.00 0.00 H new ATOM 0 HE2 HIS A 28 12.206 1.199 5.756 1.00 0.00 H new ATOM 455 N TRP A 29 7.278 2.953 2.143 1.00 0.00 N ATOM 456 CA TRP A 29 7.216 4.410 1.974 1.00 0.00 C ATOM 457 C TRP A 29 7.688 4.821 0.623 1.00 0.00 C ATOM 458 O TRP A 29 7.596 6.009 0.314 1.00 0.00 O ATOM 459 CB TRP A 29 8.005 5.220 3.014 1.00 0.00 C ATOM 460 CG TRP A 29 9.450 4.824 3.128 1.00 0.00 C ATOM 461 CD1 TRP A 29 10.354 4.701 2.111 1.00 0.00 C ATOM 462 CD2 TRP A 29 10.158 4.503 4.333 1.00 0.00 C ATOM 463 NE1 TRP A 29 11.577 4.321 2.609 1.00 0.00 N ATOM 464 CE2 TRP A 29 11.482 4.193 3.970 1.00 0.00 C ATOM 465 CE3 TRP A 29 9.798 4.446 5.683 1.00 0.00 C ATOM 466 CZ2 TRP A 29 12.446 3.833 4.907 1.00 0.00 C ATOM 467 CZ3 TRP A 29 10.758 4.088 6.612 1.00 0.00 C ATOM 468 CH2 TRP A 29 12.068 3.787 6.221 1.00 0.00 C ATOM 0 H TRP A 29 7.032 2.439 1.297 1.00 0.00 H new ATOM 0 HA TRP A 29 6.160 4.639 2.114 1.00 0.00 H new ATOM 0 HB2 TRP A 29 7.948 6.277 2.756 1.00 0.00 H new ATOM 0 HB3 TRP A 29 7.529 5.104 3.988 1.00 0.00 H new ATOM 0 HD1 TRP A 29 10.139 4.877 1.067 1.00 0.00 H new ATOM 0 HE1 TRP A 29 12.419 4.160 2.056 1.00 0.00 H new ATOM 0 HE3 TRP A 29 8.790 4.677 5.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 13.457 3.598 4.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 10.492 4.040 7.658 1.00 0.00 H new ATOM 0 HH2 TRP A 29 12.795 3.513 6.972 1.00 0.00 H new ATOM 479 N SER A 30 8.126 3.854 -0.197 1.00 0.00 N ATOM 480 CA SER A 30 8.555 4.143 -1.529 1.00 0.00 C ATOM 481 C SER A 30 7.603 3.476 -2.519 1.00 0.00 C ATOM 482 O SER A 30 7.923 3.294 -3.694 1.00 0.00 O ATOM 483 CB SER A 30 9.991 3.667 -1.757 1.00 0.00 C ATOM 484 OG SER A 30 10.556 4.281 -2.902 1.00 0.00 O ATOM 0 H SER A 30 8.184 2.869 0.062 1.00 0.00 H new ATOM 0 HA SER A 30 8.538 5.222 -1.682 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.597 3.897 -0.881 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.004 2.584 -1.878 1.00 0.00 H new ATOM 0 HG SER A 30 9.915 4.244 -3.643 1.00 0.00 H new ATOM 490 N ALA A 31 6.392 3.180 -2.026 1.00 0.00 N ATOM 491 CA ALA A 31 5.336 2.614 -2.829 1.00 0.00 C ATOM 492 C ALA A 31 4.129 3.565 -2.774 1.00 0.00 C ATOM 493 O ALA A 31 3.350 3.625 -3.715 1.00 0.00 O ATOM 494 CB ALA A 31 4.971 1.230 -2.326 1.00 0.00 C ATOM 0 H ALA A 31 6.131 3.333 -1.052 1.00 0.00 H new ATOM 0 HA ALA A 31 5.664 2.504 -3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.173 0.817 -2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.845 0.581 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.633 1.296 -1.292 1.00 0.00 H new ATOM 500 N ILE A 32 4.034 4.366 -1.692 1.00 0.00 N ATOM 501 CA ILE A 32 2.971 5.360 -1.519 1.00 0.00 C ATOM 502 C ILE A 32 3.567 6.764 -1.551 1.00 0.00 C ATOM 503 O ILE A 32 3.126 7.689 -0.863 1.00 0.00 O ATOM 504 CB ILE A 32 2.279 5.258 -0.159 1.00 0.00 C ATOM 505 CG1 ILE A 32 2.283 3.805 0.377 1.00 0.00 C ATOM 506 CG2 ILE A 32 0.926 5.911 -0.299 1.00 0.00 C ATOM 507 CD1 ILE A 32 1.284 3.533 1.484 1.00 0.00 C ATOM 0 H ILE A 32 4.696 4.336 -0.917 1.00 0.00 H new ATOM 0 HA ILE A 32 2.260 5.172 -2.323 1.00 0.00 H new ATOM 0 HB ILE A 32 2.820 5.795 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.080 3.127 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.283 3.570 0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.397 5.860 0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.054 6.954 -0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.348 5.391 -1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.360 2.491 1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.497 4.182 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.276 3.731 1.121 1.00 0.00 H new ATOM 519 N GLU A 33 4.593 6.886 -2.329 1.00 0.00 N ATOM 520 CA GLU A 33 5.318 8.140 -2.461 1.00 0.00 C ATOM 521 C GLU A 33 5.308 8.676 -3.885 1.00 0.00 C ATOM 522 O GLU A 33 6.172 8.339 -4.694 1.00 0.00 O ATOM 523 CB GLU A 33 6.761 7.959 -1.980 1.00 0.00 C ATOM 524 CG GLU A 33 7.009 8.534 -0.598 1.00 0.00 C ATOM 525 CD GLU A 33 8.480 8.566 -0.234 1.00 0.00 C ATOM 526 OE1 GLU A 33 9.283 9.062 -1.053 1.00 0.00 O ATOM 527 OE2 GLU A 33 8.833 8.096 0.868 1.00 0.00 O ATOM 0 H GLU A 33 4.965 6.126 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 33 4.807 8.875 -1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.004 6.896 -1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.436 8.435 -2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.605 9.545 -0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.469 7.941 0.140 1.00 0.00 H new ATOM 534 N MET A 34 4.344 9.540 -4.172 1.00 0.00 N ATOM 535 CA MET A 34 4.250 10.158 -5.501 1.00 0.00 C ATOM 536 C MET A 34 4.312 11.679 -5.382 1.00 0.00 C ATOM 537 O MET A 34 4.619 12.208 -4.313 1.00 0.00 O ATOM 538 CB MET A 34 2.974 9.718 -6.220 1.00 0.00 C ATOM 539 CG MET A 34 3.124 9.609 -7.732 1.00 0.00 C ATOM 540 SD MET A 34 3.134 7.902 -8.321 1.00 0.00 S ATOM 541 CE MET A 34 4.539 7.936 -9.431 1.00 0.00 C ATOM 0 H MET A 34 3.620 9.831 -3.515 1.00 0.00 H new ATOM 0 HA MET A 34 5.099 9.823 -6.097 1.00 0.00 H new ATOM 0 HB2 MET A 34 2.661 8.751 -5.825 1.00 0.00 H new ATOM 0 HB3 MET A 34 2.178 10.428 -5.994 1.00 0.00 H new ATOM 0 HG2 MET A 34 2.307 10.148 -8.212 1.00 0.00 H new ATOM 0 HG3 MET A 34 4.050 10.097 -8.036 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.675 6.950 -9.875 1.00 0.00 H new ATOM 0 HE2 MET A 34 4.362 8.668 -10.219 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.435 8.211 -8.875 1.00 0.00 H new ATOM 551 N GLU A 35 4.045 12.384 -6.478 1.00 0.00 N ATOM 552 CA GLU A 35 4.102 13.840 -6.472 1.00 0.00 C ATOM 553 C GLU A 35 2.753 14.440 -6.842 1.00 0.00 C ATOM 554 O GLU A 35 2.673 15.551 -7.367 1.00 0.00 O ATOM 555 CB GLU A 35 5.176 14.331 -7.446 1.00 0.00 C ATOM 556 CG GLU A 35 6.583 14.287 -6.872 1.00 0.00 C ATOM 557 CD GLU A 35 7.635 14.008 -7.927 1.00 0.00 C ATOM 558 OE1 GLU A 35 8.025 14.957 -8.641 1.00 0.00 O ATOM 559 OE2 GLU A 35 8.069 12.843 -8.040 1.00 0.00 O ATOM 0 H GLU A 35 3.789 11.973 -7.375 1.00 0.00 H new ATOM 0 HA GLU A 35 4.358 14.165 -5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.142 13.722 -8.349 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.945 15.354 -7.743 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.803 15.238 -6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.633 13.517 -6.102 1.00 0.00 H new ATOM 566 N GLY A 36 1.695 13.702 -6.532 1.00 0.00 N ATOM 567 CA GLY A 36 0.350 14.176 -6.801 1.00 0.00 C ATOM 568 C GLY A 36 -0.417 14.357 -5.510 1.00 0.00 C ATOM 569 O GLY A 36 -0.220 15.340 -4.795 1.00 0.00 O ATOM 0 H GLY A 36 1.744 12.780 -6.098 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.393 15.122 -7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.170 13.466 -7.443 1.00 0.00 H new ATOM 573 N PHE A 37 -1.263 13.389 -5.186 1.00 0.00 N ATOM 574 CA PHE A 37 -2.021 13.428 -3.945 1.00 0.00 C ATOM 575 C PHE A 37 -2.607 12.067 -3.627 1.00 0.00 C ATOM 576 O PHE A 37 -3.803 11.829 -3.805 1.00 0.00 O ATOM 577 CB PHE A 37 -3.134 14.477 -3.975 1.00 0.00 C ATOM 578 CG PHE A 37 -3.447 15.054 -2.612 1.00 0.00 C ATOM 579 CD1 PHE A 37 -3.444 14.253 -1.466 1.00 0.00 C ATOM 580 CD2 PHE A 37 -3.736 16.402 -2.473 1.00 0.00 C ATOM 581 CE1 PHE A 37 -3.723 14.792 -0.227 1.00 0.00 C ATOM 582 CE2 PHE A 37 -4.018 16.943 -1.232 1.00 0.00 C ATOM 583 CZ PHE A 37 -4.010 16.138 -0.108 1.00 0.00 C ATOM 0 H PHE A 37 -1.441 12.568 -5.765 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.319 13.711 -3.161 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.844 15.285 -4.647 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.037 14.027 -4.388 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.221 13.200 -1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.741 17.039 -3.345 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.717 14.162 0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.245 17.995 -1.141 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.228 16.561 0.862 1.00 0.00 H new ATOM 593 N LYS A 38 -1.763 11.187 -3.114 1.00 0.00 N ATOM 594 CA LYS A 38 -2.178 9.874 -2.721 1.00 0.00 C ATOM 595 C LYS A 38 -1.867 9.736 -1.243 1.00 0.00 C ATOM 596 O LYS A 38 -1.022 10.446 -0.700 1.00 0.00 O ATOM 597 CB LYS A 38 -1.513 8.823 -3.626 1.00 0.00 C ATOM 598 CG LYS A 38 -1.005 7.525 -2.973 1.00 0.00 C ATOM 599 CD LYS A 38 0.511 7.435 -3.046 1.00 0.00 C ATOM 600 CE LYS A 38 1.062 7.633 -4.455 1.00 0.00 C ATOM 601 NZ LYS A 38 0.218 7.011 -5.513 1.00 0.00 N ATOM 0 H LYS A 38 -0.772 11.375 -2.963 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.248 9.709 -2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.229 8.549 -4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.669 9.298 -4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.325 7.488 -1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.448 6.664 -3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.944 8.186 -2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.828 6.461 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.154 8.701 -4.655 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.066 7.212 -4.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.690 7.108 -6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.080 6.003 -5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.706 7.488 -5.545 1.00 0.00 H new ATOM 615 N THR A 39 -2.597 8.867 -0.608 1.00 0.00 N ATOM 616 CA THR A 39 -2.496 8.641 0.803 1.00 0.00 C ATOM 617 C THR A 39 -3.286 7.436 1.188 1.00 0.00 C ATOM 618 O THR A 39 -4.061 6.891 0.404 1.00 0.00 O ATOM 619 CB THR A 39 -3.053 9.831 1.574 1.00 0.00 C ATOM 620 OG1 THR A 39 -3.908 10.610 0.753 1.00 0.00 O ATOM 621 CG2 THR A 39 -1.974 10.728 2.089 1.00 0.00 C ATOM 0 H THR A 39 -3.295 8.282 -1.068 1.00 0.00 H new ATOM 0 HA THR A 39 -1.443 8.498 1.044 1.00 0.00 H new ATOM 0 HB THR A 39 -3.604 9.412 2.416 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.255 11.368 1.269 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.421 11.561 2.631 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.323 10.167 2.759 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.390 11.112 1.253 1.00 0.00 H new ATOM 629 N LEU A 40 -3.069 7.022 2.407 1.00 0.00 N ATOM 630 CA LEU A 40 -3.728 5.878 2.936 1.00 0.00 C ATOM 631 C LEU A 40 -4.518 6.254 4.155 1.00 0.00 C ATOM 632 O LEU A 40 -3.961 6.604 5.197 1.00 0.00 O ATOM 633 CB LEU A 40 -2.707 4.875 3.350 1.00 0.00 C ATOM 634 CG LEU A 40 -1.846 4.217 2.277 1.00 0.00 C ATOM 635 CD1 LEU A 40 -2.376 2.857 1.951 1.00 0.00 C ATOM 636 CD2 LEU A 40 -1.703 5.036 1.015 1.00 0.00 C ATOM 0 H LEU A 40 -2.427 7.476 3.056 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.390 5.472 2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.037 5.360 4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.224 4.082 3.891 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.845 4.139 2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.753 2.398 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.364 2.237 2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.399 2.943 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.077 4.500 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.687 5.206 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.242 5.994 1.254 1.00 0.00 H new ATOM 648 N LYS A 41 -5.798 6.140 4.028 1.00 0.00 N ATOM 649 CA LYS A 41 -6.690 6.427 5.148 1.00 0.00 C ATOM 650 C LYS A 41 -6.737 5.234 6.106 1.00 0.00 C ATOM 651 O LYS A 41 -7.358 5.307 7.166 1.00 0.00 O ATOM 652 CB LYS A 41 -8.116 6.777 4.695 1.00 0.00 C ATOM 653 CG LYS A 41 -8.220 7.345 3.287 1.00 0.00 C ATOM 654 CD LYS A 41 -8.995 6.414 2.373 1.00 0.00 C ATOM 655 CE LYS A 41 -10.495 6.554 2.573 1.00 0.00 C ATOM 656 NZ LYS A 41 -10.979 5.746 3.726 1.00 0.00 N ATOM 0 H LYS A 41 -6.268 5.852 3.170 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.284 7.301 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.731 5.879 4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.537 7.499 5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.711 8.318 3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.221 7.506 2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.744 6.631 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.696 5.383 2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.743 7.603 2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.013 6.240 1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.003 5.589 3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.488 4.829 3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.785 6.254 4.612 1.00 0.00 H new ATOM 670 N GLU A 42 -6.072 4.131 5.721 1.00 0.00 N ATOM 671 CA GLU A 42 -6.017 2.905 6.531 1.00 0.00 C ATOM 672 C GLU A 42 -7.259 2.028 6.350 1.00 0.00 C ATOM 673 O GLU A 42 -7.310 0.911 6.857 1.00 0.00 O ATOM 674 CB GLU A 42 -5.823 3.221 8.022 1.00 0.00 C ATOM 675 CG GLU A 42 -4.868 4.375 8.284 1.00 0.00 C ATOM 676 CD GLU A 42 -4.114 4.221 9.590 1.00 0.00 C ATOM 677 OE1 GLU A 42 -4.691 3.663 10.546 1.00 0.00 O ATOM 678 OE2 GLU A 42 -2.945 4.657 9.656 1.00 0.00 O ATOM 0 H GLU A 42 -5.559 4.066 4.842 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.153 2.347 6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.792 3.455 8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.450 2.330 8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.155 4.445 7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.429 5.310 8.300 1.00 0.00 H new ATOM 685 N GLY A 43 -8.251 2.545 5.639 1.00 0.00 N ATOM 686 CA GLY A 43 -9.482 1.802 5.389 1.00 0.00 C ATOM 687 C GLY A 43 -10.052 2.052 4.008 1.00 0.00 C ATOM 688 O GLY A 43 -11.003 2.825 3.875 1.00 0.00 O ATOM 0 H GLY A 43 -8.229 3.477 5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.288 0.736 5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.225 2.077 6.138 1.00 0.00 H new ATOM 692 N GLN A 44 -9.476 1.465 2.978 1.00 0.00 N ATOM 693 CA GLN A 44 -9.950 1.712 1.627 1.00 0.00 C ATOM 694 C GLN A 44 -9.414 0.688 0.666 1.00 0.00 C ATOM 695 O GLN A 44 -8.976 -0.369 1.080 1.00 0.00 O ATOM 696 CB GLN A 44 -9.507 3.112 1.246 1.00 0.00 C ATOM 697 CG GLN A 44 -8.016 3.240 1.033 1.00 0.00 C ATOM 698 CD GLN A 44 -7.632 4.591 0.484 1.00 0.00 C ATOM 699 OE1 GLN A 44 -8.346 5.163 -0.339 1.00 0.00 O ATOM 700 NE2 GLN A 44 -6.510 5.114 0.954 1.00 0.00 N ATOM 0 H GLN A 44 -8.688 0.821 3.046 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.036 1.632 1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.023 3.411 0.333 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.814 3.806 2.028 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.500 3.074 1.979 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.681 2.462 0.347 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.953 4.598 1.636 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.202 6.032 0.634 1.00 0.00 H new ATOM 709 N VAL A 45 -9.472 1.018 -0.613 1.00 0.00 N ATOM 710 CA VAL A 45 -9.004 0.165 -1.661 1.00 0.00 C ATOM 711 C VAL A 45 -8.014 0.968 -2.461 1.00 0.00 C ATOM 712 O VAL A 45 -8.232 2.131 -2.755 1.00 0.00 O ATOM 713 CB VAL A 45 -10.211 -0.306 -2.470 1.00 0.00 C ATOM 714 CG1 VAL A 45 -9.795 -1.125 -3.683 1.00 0.00 C ATOM 715 CG2 VAL A 45 -11.136 -1.106 -1.573 1.00 0.00 C ATOM 0 H VAL A 45 -9.854 1.904 -0.945 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.502 -0.733 -1.302 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.737 0.572 -2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.683 -1.440 -4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.164 -0.518 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.239 -2.004 -3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.998 -1.443 -2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.602 -1.971 -1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.473 -0.480 -0.747 1.00 0.00 H new ATOM 725 N VAL A 46 -6.880 0.382 -2.727 1.00 0.00 N ATOM 726 CA VAL A 46 -5.820 1.087 -3.402 1.00 0.00 C ATOM 727 C VAL A 46 -5.563 0.460 -4.760 1.00 0.00 C ATOM 728 O VAL A 46 -6.141 -0.567 -5.094 1.00 0.00 O ATOM 729 CB VAL A 46 -4.568 1.057 -2.461 1.00 0.00 C ATOM 730 CG1 VAL A 46 -3.235 0.737 -3.148 1.00 0.00 C ATOM 731 CG2 VAL A 46 -4.470 2.357 -1.671 1.00 0.00 C ATOM 0 H VAL A 46 -6.663 -0.585 -2.487 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.083 2.126 -3.599 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.738 0.216 -1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.434 0.741 -2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.293 -0.246 -3.614 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.029 1.488 -3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.596 2.323 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.377 3.196 -2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.367 2.483 -1.065 1.00 0.00 H new ATOM 741 N GLU A 47 -4.667 1.075 -5.502 1.00 0.00 N ATOM 742 CA GLU A 47 -4.263 0.575 -6.804 1.00 0.00 C ATOM 743 C GLU A 47 -2.798 0.236 -6.667 1.00 0.00 C ATOM 744 O GLU A 47 -1.959 1.139 -6.678 1.00 0.00 O ATOM 745 CB GLU A 47 -4.472 1.628 -7.896 1.00 0.00 C ATOM 746 CG GLU A 47 -4.524 1.060 -9.306 1.00 0.00 C ATOM 747 CD GLU A 47 -5.867 0.446 -9.642 1.00 0.00 C ATOM 748 OE1 GLU A 47 -6.892 0.942 -9.131 1.00 0.00 O ATOM 749 OE2 GLU A 47 -5.894 -0.533 -10.418 1.00 0.00 O ATOM 0 H GLU A 47 -4.197 1.936 -5.222 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.858 -0.290 -7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.401 2.163 -7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.665 2.359 -7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.303 1.853 -10.021 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.746 0.305 -9.417 1.00 0.00 H new ATOM 756 N PHE A 48 -2.474 -1.042 -6.420 1.00 0.00 N ATOM 757 CA PHE A 48 -1.078 -1.368 -6.153 1.00 0.00 C ATOM 758 C PHE A 48 -0.499 -2.643 -6.748 1.00 0.00 C ATOM 759 O PHE A 48 -1.188 -3.512 -7.265 1.00 0.00 O ATOM 760 CB PHE A 48 -0.857 -1.383 -4.630 1.00 0.00 C ATOM 761 CG PHE A 48 -1.328 -2.629 -3.911 1.00 0.00 C ATOM 762 CD1 PHE A 48 -2.190 -3.549 -4.506 1.00 0.00 C ATOM 763 CD2 PHE A 48 -0.886 -2.879 -2.627 1.00 0.00 C ATOM 764 CE1 PHE A 48 -2.594 -4.683 -3.831 1.00 0.00 C ATOM 765 CE2 PHE A 48 -1.292 -4.016 -1.948 1.00 0.00 C ATOM 766 CZ PHE A 48 -2.145 -4.917 -2.551 1.00 0.00 C ATOM 0 H PHE A 48 -3.126 -1.826 -6.401 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.533 -0.582 -6.676 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.207 -1.253 -4.434 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.368 -0.522 -4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.547 -3.372 -5.510 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.217 -2.181 -2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.262 -5.386 -4.307 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.940 -4.198 -0.943 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.460 -5.803 -2.020 1.00 0.00 H new ATOM 776 N GLU A 49 0.823 -2.725 -6.581 1.00 0.00 N ATOM 777 CA GLU A 49 1.623 -3.850 -7.004 1.00 0.00 C ATOM 778 C GLU A 49 2.090 -4.567 -5.756 1.00 0.00 C ATOM 779 O GLU A 49 2.231 -3.939 -4.711 1.00 0.00 O ATOM 780 CB GLU A 49 2.831 -3.357 -7.802 1.00 0.00 C ATOM 781 CG GLU A 49 3.162 -4.206 -9.007 1.00 0.00 C ATOM 782 CD GLU A 49 3.571 -5.618 -8.638 1.00 0.00 C ATOM 783 OE1 GLU A 49 4.614 -5.778 -7.969 1.00 0.00 O ATOM 784 OE2 GLU A 49 2.850 -6.564 -9.018 1.00 0.00 O ATOM 0 H GLU A 49 1.369 -1.987 -6.136 1.00 0.00 H new ATOM 0 HA GLU A 49 1.043 -4.519 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.643 -2.335 -8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.699 -3.325 -7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.296 -4.245 -9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.969 -3.734 -9.567 1.00 0.00 H new ATOM 791 N ILE A 50 2.321 -5.862 -5.842 1.00 0.00 N ATOM 792 CA ILE A 50 2.756 -6.606 -4.673 1.00 0.00 C ATOM 793 C ILE A 50 3.693 -7.742 -5.042 1.00 0.00 C ATOM 794 O ILE A 50 3.296 -8.711 -5.690 1.00 0.00 O ATOM 795 CB ILE A 50 1.550 -7.142 -3.875 1.00 0.00 C ATOM 796 CG1 ILE A 50 0.503 -7.780 -4.810 1.00 0.00 C ATOM 797 CG2 ILE A 50 0.937 -6.017 -3.048 1.00 0.00 C ATOM 798 CD1 ILE A 50 -0.338 -6.793 -5.609 1.00 0.00 C ATOM 0 H ILE A 50 2.218 -6.415 -6.693 1.00 0.00 H new ATOM 0 HA ILE A 50 3.309 -5.911 -4.041 1.00 0.00 H new ATOM 0 HB ILE A 50 1.898 -7.923 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.017 -8.443 -5.507 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.164 -8.401 -4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.085 -6.401 -2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.683 -5.627 -2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.604 -5.218 -3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.043 -7.339 -6.235 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.886 -6.145 -4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.313 -6.187 -6.239 1.00 0.00 H new ATOM 810 N GLN A 51 4.951 -7.608 -4.626 1.00 0.00 N ATOM 811 CA GLN A 51 5.963 -8.619 -4.913 1.00 0.00 C ATOM 812 C GLN A 51 6.709 -9.023 -3.646 1.00 0.00 C ATOM 813 O GLN A 51 7.088 -8.175 -2.840 1.00 0.00 O ATOM 814 CB GLN A 51 6.955 -8.095 -5.954 1.00 0.00 C ATOM 815 CG GLN A 51 7.711 -6.857 -5.502 1.00 0.00 C ATOM 816 CD GLN A 51 7.983 -5.893 -6.640 1.00 0.00 C ATOM 817 OE1 GLN A 51 7.776 -4.687 -6.511 1.00 0.00 O ATOM 818 NE2 GLN A 51 8.451 -6.422 -7.764 1.00 0.00 N ATOM 0 H GLN A 51 5.292 -6.810 -4.090 1.00 0.00 H new ATOM 0 HA GLN A 51 5.456 -9.499 -5.310 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.671 -8.882 -6.190 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.417 -7.867 -6.874 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.137 -6.347 -4.728 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.657 -7.158 -5.051 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.608 -7.428 -7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.654 -5.823 -8.564 1.00 0.00 H new ATOM 827 N GLU A 52 6.914 -10.327 -3.479 1.00 0.00 N ATOM 828 CA GLU A 52 7.613 -10.847 -2.310 1.00 0.00 C ATOM 829 C GLU A 52 8.984 -11.395 -2.689 1.00 0.00 C ATOM 830 O GLU A 52 9.200 -11.830 -3.820 1.00 0.00 O ATOM 831 CB GLU A 52 6.786 -11.948 -1.644 1.00 0.00 C ATOM 832 CG GLU A 52 6.569 -13.165 -2.527 1.00 0.00 C ATOM 833 CD GLU A 52 5.209 -13.163 -3.199 1.00 0.00 C ATOM 834 OE1 GLU A 52 4.968 -12.277 -4.045 1.00 0.00 O ATOM 835 OE2 GLU A 52 4.389 -14.048 -2.880 1.00 0.00 O ATOM 0 H GLU A 52 6.606 -11.041 -4.139 1.00 0.00 H new ATOM 0 HA GLU A 52 7.751 -10.024 -1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.284 -12.260 -0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.817 -11.540 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.347 -13.199 -3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.672 -14.068 -1.926 1.00 0.00 H new ATOM 842 N GLY A 53 9.903 -11.378 -1.730 1.00 0.00 N ATOM 843 CA GLY A 53 11.241 -11.884 -1.971 1.00 0.00 C ATOM 844 C GLY A 53 11.637 -12.922 -0.954 1.00 0.00 C ATOM 845 O GLY A 53 11.027 -13.988 -0.863 1.00 0.00 O ATOM 0 H GLY A 53 9.744 -11.022 -0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.292 -12.316 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.952 -11.059 -1.944 1.00 0.00 H new ATOM 849 N LYS A 54 12.656 -12.598 -0.177 1.00 0.00 N ATOM 850 CA LYS A 54 13.137 -13.497 0.862 1.00 0.00 C ATOM 851 C LYS A 54 12.119 -13.594 1.996 1.00 0.00 C ATOM 852 O LYS A 54 12.036 -14.613 2.684 1.00 0.00 O ATOM 853 CB LYS A 54 14.484 -13.013 1.403 1.00 0.00 C ATOM 854 CG LYS A 54 15.680 -13.634 0.700 1.00 0.00 C ATOM 855 CD LYS A 54 15.630 -13.394 -0.801 1.00 0.00 C ATOM 856 CE LYS A 54 14.895 -14.514 -1.520 1.00 0.00 C ATOM 857 NZ LYS A 54 15.479 -14.792 -2.860 1.00 0.00 N ATOM 0 H LYS A 54 13.168 -11.718 -0.245 1.00 0.00 H new ATOM 0 HA LYS A 54 13.270 -14.487 0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.538 -11.929 1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.541 -13.239 2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.600 -13.215 1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.704 -14.706 0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.135 -12.444 -1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.644 -13.313 -1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.931 -15.419 -0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.844 -14.246 -1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.949 -15.562 -3.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.422 -13.936 -3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.475 -15.073 -2.753 1.00 0.00 H new ATOM 871 N LYS A 55 11.344 -12.527 2.187 1.00 0.00 N ATOM 872 CA LYS A 55 10.331 -12.489 3.236 1.00 0.00 C ATOM 873 C LYS A 55 8.912 -12.520 2.626 1.00 0.00 C ATOM 874 O LYS A 55 8.530 -13.523 2.022 1.00 0.00 O ATOM 875 CB LYS A 55 10.559 -11.258 4.123 1.00 0.00 C ATOM 876 CG LYS A 55 11.804 -11.353 4.988 1.00 0.00 C ATOM 877 CD LYS A 55 13.057 -11.010 4.200 1.00 0.00 C ATOM 878 CE LYS A 55 14.155 -10.471 5.104 1.00 0.00 C ATOM 879 NZ LYS A 55 14.921 -9.373 4.453 1.00 0.00 N ATOM 0 H LYS A 55 11.400 -11.677 1.627 1.00 0.00 H new ATOM 0 HA LYS A 55 10.420 -13.375 3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.633 -10.374 3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.690 -11.118 4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.711 -10.676 5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.892 -12.362 5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.416 -11.899 3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.817 -10.270 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.715 -10.106 6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.835 -11.280 5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.660 -9.033 5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.362 -9.728 3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.277 -8.590 4.221 1.00 0.00 H new ATOM 893 N GLY A 56 8.124 -11.441 2.775 1.00 0.00 N ATOM 894 CA GLY A 56 6.781 -11.424 2.220 1.00 0.00 C ATOM 895 C GLY A 56 6.614 -10.389 1.118 1.00 0.00 C ATOM 896 O GLY A 56 7.569 -9.691 0.776 1.00 0.00 O ATOM 0 H GLY A 56 8.397 -10.590 3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.543 -12.411 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.066 -11.219 3.017 1.00 0.00 H new ATOM 900 N PRO A 57 5.404 -10.262 0.534 1.00 0.00 N ATOM 901 CA PRO A 57 5.141 -9.298 -0.534 1.00 0.00 C ATOM 902 C PRO A 57 4.848 -7.900 0.000 1.00 0.00 C ATOM 903 O PRO A 57 4.173 -7.745 1.016 1.00 0.00 O ATOM 904 CB PRO A 57 3.903 -9.875 -1.213 1.00 0.00 C ATOM 905 CG PRO A 57 3.160 -10.558 -0.116 1.00 0.00 C ATOM 906 CD PRO A 57 4.196 -11.051 0.865 1.00 0.00 C ATOM 0 HA PRO A 57 5.998 -9.172 -1.195 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.301 -9.091 -1.672 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.174 -10.574 -2.004 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.465 -9.871 0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.570 -11.387 -0.506 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.881 -10.886 1.895 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.375 -12.121 0.754 1.00 0.00 H new ATOM 914 N GLN A 58 5.353 -6.884 -0.696 1.00 0.00 N ATOM 915 CA GLN A 58 5.134 -5.505 -0.303 1.00 0.00 C ATOM 916 C GLN A 58 4.650 -4.674 -1.478 1.00 0.00 C ATOM 917 O GLN A 58 4.910 -4.992 -2.644 1.00 0.00 O ATOM 918 CB GLN A 58 6.417 -4.873 0.241 1.00 0.00 C ATOM 919 CG GLN A 58 6.203 -3.540 0.966 1.00 0.00 C ATOM 920 CD GLN A 58 7.433 -2.656 0.933 1.00 0.00 C ATOM 921 OE1 GLN A 58 8.296 -2.739 1.806 1.00 0.00 O ATOM 922 NE2 GLN A 58 7.519 -1.800 -0.079 1.00 0.00 N ATOM 0 H GLN A 58 5.918 -6.997 -1.538 1.00 0.00 H new ATOM 0 HA GLN A 58 4.374 -5.516 0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.892 -5.575 0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.110 -4.717 -0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.367 -3.011 0.508 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.927 -3.734 2.002 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.780 -1.765 -0.781 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.324 -1.178 -0.154 1.00 0.00 H new ATOM 931 N ALA A 59 3.986 -3.587 -1.141 1.00 0.00 N ATOM 932 CA ALA A 59 3.489 -2.638 -2.094 1.00 0.00 C ATOM 933 C ALA A 59 4.662 -1.927 -2.756 1.00 0.00 C ATOM 934 O ALA A 59 5.554 -1.415 -2.081 1.00 0.00 O ATOM 935 CB ALA A 59 2.621 -1.631 -1.356 1.00 0.00 C ATOM 0 H ALA A 59 3.777 -3.341 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 59 2.902 -3.140 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.232 -0.899 -2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.790 -2.149 -0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.218 -1.123 -0.599 1.00 0.00 H new ATOM 941 N ALA A 60 4.647 -1.900 -4.071 1.00 0.00 N ATOM 942 CA ALA A 60 5.701 -1.241 -4.844 1.00 0.00 C ATOM 943 C ALA A 60 5.159 0.020 -5.499 1.00 0.00 C ATOM 944 O ALA A 60 5.858 1.023 -5.648 1.00 0.00 O ATOM 945 CB ALA A 60 6.248 -2.183 -5.896 1.00 0.00 C ATOM 0 H ALA A 60 3.915 -2.327 -4.639 1.00 0.00 H new ATOM 0 HA ALA A 60 6.511 -0.966 -4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.031 -1.680 -6.463 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.662 -3.068 -5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.445 -2.481 -6.571 1.00 0.00 H new ATOM 951 N HIS A 61 3.890 -0.051 -5.860 1.00 0.00 N ATOM 952 CA HIS A 61 3.169 1.033 -6.471 1.00 0.00 C ATOM 953 C HIS A 61 1.891 1.176 -5.686 1.00 0.00 C ATOM 954 O HIS A 61 1.135 0.231 -5.588 1.00 0.00 O ATOM 955 CB HIS A 61 2.879 0.677 -7.921 1.00 0.00 C ATOM 956 CG HIS A 61 3.810 1.323 -8.898 1.00 0.00 C ATOM 957 ND1 HIS A 61 3.715 2.648 -9.268 1.00 0.00 N ATOM 958 CD2 HIS A 61 4.862 0.818 -9.585 1.00 0.00 C ATOM 959 CE1 HIS A 61 4.667 2.930 -10.139 1.00 0.00 C ATOM 960 NE2 HIS A 61 5.377 1.837 -10.348 1.00 0.00 N ATOM 0 H HIS A 61 3.325 -0.890 -5.729 1.00 0.00 H new ATOM 0 HA HIS A 61 3.731 1.967 -6.463 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.937 -0.405 -8.039 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.856 0.969 -8.160 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.228 -0.197 -9.541 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.836 3.891 -10.601 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.178 1.762 -10.975 1.00 0.00 H new ATOM 969 N VAL A 62 1.692 2.313 -5.054 1.00 0.00 N ATOM 970 CA VAL A 62 0.531 2.492 -4.201 1.00 0.00 C ATOM 971 C VAL A 62 -0.242 3.767 -4.500 1.00 0.00 C ATOM 972 O VAL A 62 0.139 4.857 -4.078 1.00 0.00 O ATOM 973 CB VAL A 62 0.976 2.459 -2.723 1.00 0.00 C ATOM 974 CG1 VAL A 62 -0.218 2.603 -1.780 1.00 0.00 C ATOM 975 CG2 VAL A 62 1.702 1.144 -2.472 1.00 0.00 C ATOM 0 H VAL A 62 2.311 3.122 -5.112 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.155 1.670 -4.406 1.00 0.00 H new ATOM 0 HB VAL A 62 1.642 3.299 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.129 2.576 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.719 3.552 -1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.917 1.784 -1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.026 1.100 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.029 0.312 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.572 1.078 -3.126 1.00 0.00 H new ATOM 985 N LYS A 63 -1.361 3.605 -5.196 1.00 0.00 N ATOM 986 CA LYS A 63 -2.238 4.722 -5.518 1.00 0.00 C ATOM 987 C LYS A 63 -3.511 4.566 -4.697 1.00 0.00 C ATOM 988 O LYS A 63 -3.557 3.705 -3.823 1.00 0.00 O ATOM 989 CB LYS A 63 -2.542 4.784 -7.017 1.00 0.00 C ATOM 990 CG LYS A 63 -1.340 4.460 -7.903 1.00 0.00 C ATOM 991 CD LYS A 63 -1.665 3.379 -8.923 1.00 0.00 C ATOM 992 CE LYS A 63 -0.808 3.519 -10.172 1.00 0.00 C ATOM 993 NZ LYS A 63 -1.101 2.454 -11.170 1.00 0.00 N ATOM 0 H LYS A 63 -1.683 2.704 -5.550 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.747 5.663 -5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.348 4.086 -7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.905 5.782 -7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.016 5.363 -8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.507 4.134 -7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.505 2.397 -8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.719 3.438 -9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.981 4.496 -10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.246 3.477 -9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.496 2.585 -12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.912 1.522 -10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.100 2.509 -11.454 1.00 0.00 H new ATOM 1007 N VAL A 64 -4.532 5.390 -4.932 1.00 0.00 N ATOM 1008 CA VAL A 64 -5.749 5.295 -4.121 1.00 0.00 C ATOM 1009 C VAL A 64 -7.020 5.008 -4.924 1.00 0.00 C ATOM 1010 O VAL A 64 -7.186 5.471 -6.052 1.00 0.00 O ATOM 1011 CB VAL A 64 -5.924 6.586 -3.261 1.00 0.00 C ATOM 1012 CG1 VAL A 64 -6.884 7.605 -3.887 1.00 0.00 C ATOM 1013 CG2 VAL A 64 -6.365 6.222 -1.852 1.00 0.00 C ATOM 0 H VAL A 64 -4.545 6.110 -5.654 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.611 4.429 -3.473 1.00 0.00 H new ATOM 0 HB VAL A 64 -4.950 7.073 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.961 8.478 -3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.506 7.909 -4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.869 7.153 -4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.484 7.131 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.315 5.690 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.612 5.584 -1.389 1.00 0.00 H new ATOM 1023 N VAL A 65 -7.926 4.262 -4.287 1.00 0.00 N ATOM 1024 CA VAL A 65 -9.205 3.922 -4.869 1.00 0.00 C ATOM 1025 C VAL A 65 -10.242 3.692 -3.748 1.00 0.00 C ATOM 1026 O VAL A 65 -9.922 3.708 -2.550 1.00 0.00 O ATOM 1027 CB VAL A 65 -9.111 2.692 -5.848 1.00 0.00 C ATOM 1028 CG1 VAL A 65 -7.813 2.718 -6.648 1.00 0.00 C ATOM 1029 CG2 VAL A 65 -9.224 1.341 -5.150 1.00 0.00 C ATOM 0 H VAL A 65 -7.783 3.881 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.535 4.761 -5.481 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.969 2.797 -6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.779 1.856 -7.314 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.767 3.634 -7.237 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.964 2.683 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.150 0.543 -5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.418 1.238 -4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.184 1.275 -4.639 1.00 0.00 H new ATOM 1039 N GLU A 66 -11.476 3.474 -4.138 1.00 0.00 N ATOM 1040 CA GLU A 66 -12.550 3.235 -3.174 1.00 0.00 C ATOM 1041 C GLU A 66 -13.491 2.142 -3.670 1.00 0.00 C ATOM 1042 O GLU A 66 -14.080 2.317 -4.756 1.00 0.00 O ATOM 1043 CB GLU A 66 -13.334 4.525 -2.925 1.00 0.00 C ATOM 1044 CG GLU A 66 -12.485 5.654 -2.367 1.00 0.00 C ATOM 1045 CD GLU A 66 -13.314 6.726 -1.687 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -13.914 7.556 -2.403 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -13.365 6.736 -0.440 1.00 0.00 O ATOM 1048 OXT GLU A 66 -13.629 1.119 -2.967 1.00 0.00 O ATOM 0 H GLU A 66 -11.772 3.455 -5.114 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.100 2.905 -2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.788 4.851 -3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.149 4.317 -2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.769 5.247 -1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.909 6.104 -3.175 1.00 0.00 H new TER 1055 GLU A 66