USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 683 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -2.47 K(o=-2.5,f=-1.8) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.344 X(o=-0.34,f=-0.013) USER MOD Single : A 46 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.5) USER MOD Single : A 51 CYS SG : rot -113:sc= -0.666 USER MOD Single : A 55 HIS : no HD1:sc= -2.71 K(o=-2.7,f=-4.2!) USER MOD Single : A 64 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.19) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 71 THR OG1 : rot -44:sc= 1.19 USER MOD Single : A 72 LYS NZ :NH3+ -136:sc= 0.779 (180deg=-0.665) USER MOD Single : A 73 HIS : no HE2:sc= -0.935 X(o=-0.94,f=-0.7) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -17:sc= 0.767 USER MOD Single : A 82 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.81) USER MOD Single : A 83 GLN : amide:sc= -1.73 K(o=-1.7,f=-5.2!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -16.028 -0.350 3.458 1.00 0.00 N ATOM 2 CA PRO A 9 -16.045 -0.157 1.981 1.00 0.00 C ATOM 3 C PRO A 9 -14.786 -0.721 1.319 1.00 0.00 C ATOM 4 O PRO A 9 -13.692 -0.633 1.878 1.00 0.00 O ATOM 5 CB PRO A 9 -16.162 1.340 1.713 1.00 0.00 C ATOM 6 CG PRO A 9 -16.011 1.968 3.058 1.00 0.00 C ATOM 7 CD PRO A 9 -16.440 0.928 4.064 1.00 0.00 C ATOM 0 HA PRO A 9 -16.890 -0.696 1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.389 1.683 1.025 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.123 1.590 1.263 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.979 2.273 3.231 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -16.626 2.864 3.140 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.959 1.085 5.029 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.516 0.959 4.235 1.00 0.00 H new ATOM 17 N ILE A 10 -14.951 -1.298 0.129 1.00 0.00 N ATOM 18 CA ILE A 10 -13.827 -1.877 -0.605 1.00 0.00 C ATOM 19 C ILE A 10 -13.339 -0.940 -1.712 1.00 0.00 C ATOM 20 O ILE A 10 -14.129 -0.462 -2.529 1.00 0.00 O ATOM 21 CB ILE A 10 -14.195 -3.255 -1.211 1.00 0.00 C ATOM 22 CG1 ILE A 10 -12.969 -3.901 -1.869 1.00 0.00 C ATOM 23 CG2 ILE A 10 -15.332 -3.121 -2.216 1.00 0.00 C ATOM 24 CD1 ILE A 10 -12.451 -5.115 -1.126 1.00 0.00 C ATOM 0 H ILE A 10 -15.850 -1.377 -0.346 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.020 -2.017 0.114 1.00 0.00 H new ATOM 0 HB ILE A 10 -14.532 -3.901 -0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -13.225 -4.191 -2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.172 -3.161 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.572 -4.102 -2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -16.211 -2.711 -1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.028 -2.454 -3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.584 -5.519 -1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.163 -4.827 -0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.232 -5.874 -1.079 1.00 0.00 H new ATOM 36 N ARG A 11 -12.031 -0.681 -1.728 1.00 0.00 N ATOM 37 CA ARG A 11 -11.432 0.194 -2.732 1.00 0.00 C ATOM 38 C ARG A 11 -10.323 -0.529 -3.496 1.00 0.00 C ATOM 39 O ARG A 11 -9.350 -0.996 -2.901 1.00 0.00 O ATOM 40 CB ARG A 11 -10.874 1.460 -2.073 1.00 0.00 C ATOM 41 CG ARG A 11 -10.351 2.487 -3.068 1.00 0.00 C ATOM 42 CD ARG A 11 -10.967 3.857 -2.835 1.00 0.00 C ATOM 43 NE ARG A 11 -12.219 4.030 -3.574 1.00 0.00 N ATOM 44 CZ ARG A 11 -12.789 5.214 -3.816 1.00 0.00 C ATOM 45 NH1 ARG A 11 -12.226 6.338 -3.378 1.00 0.00 N ATOM 46 NH2 ARG A 11 -13.928 5.274 -4.497 1.00 0.00 N ATOM 0 H ARG A 11 -11.367 -1.066 -1.056 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.211 0.476 -3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.656 1.919 -1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.068 1.181 -1.395 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.266 2.556 -2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.572 2.156 -4.083 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.153 3.994 -1.770 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.259 4.629 -3.137 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.685 3.194 -3.926 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.352 6.300 -2.853 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.668 7.237 -3.567 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.366 4.417 -4.834 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.364 6.177 -4.682 1.00 0.00 H new ATOM 60 N LYS A 12 -10.477 -0.613 -4.818 1.00 0.00 N ATOM 61 CA LYS A 12 -9.487 -1.274 -5.667 1.00 0.00 C ATOM 62 C LYS A 12 -8.770 -0.254 -6.549 1.00 0.00 C ATOM 63 O LYS A 12 -9.373 0.328 -7.453 1.00 0.00 O ATOM 64 CB LYS A 12 -10.151 -2.345 -6.541 1.00 0.00 C ATOM 65 CG LYS A 12 -11.081 -3.277 -5.778 1.00 0.00 C ATOM 66 CD LYS A 12 -10.307 -4.345 -5.019 1.00 0.00 C ATOM 67 CE LYS A 12 -10.979 -5.706 -5.127 1.00 0.00 C ATOM 68 NZ LYS A 12 -10.509 -6.468 -6.318 1.00 0.00 N ATOM 0 H LYS A 12 -11.277 -0.232 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.755 -1.756 -5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.716 -1.854 -7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.374 -2.938 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.683 -2.698 -5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.771 -3.753 -6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.292 -4.408 -5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.226 -4.060 -3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.777 -6.283 -4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.059 -5.573 -5.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.992 -7.389 -6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.725 -5.930 -7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.482 -6.618 -6.251 1.00 0.00 H new ATOM 82 N VAL A 13 -7.482 -0.041 -6.280 1.00 0.00 N ATOM 83 CA VAL A 13 -6.682 0.912 -7.048 1.00 0.00 C ATOM 84 C VAL A 13 -5.336 0.305 -7.446 1.00 0.00 C ATOM 85 O VAL A 13 -4.661 -0.322 -6.626 1.00 0.00 O ATOM 86 CB VAL A 13 -6.435 2.217 -6.255 1.00 0.00 C ATOM 87 CG1 VAL A 13 -5.784 3.275 -7.138 1.00 0.00 C ATOM 88 CG2 VAL A 13 -7.735 2.744 -5.661 1.00 0.00 C ATOM 0 H VAL A 13 -6.971 -0.516 -5.536 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.251 1.149 -7.947 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.752 1.988 -5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.621 4.183 -6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.828 2.903 -7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.437 3.497 -7.982 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.536 3.662 -5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.444 2.949 -6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.156 1.998 -4.987 1.00 0.00 H new ATOM 98 N LEU A 14 -4.951 0.500 -8.707 1.00 0.00 N ATOM 99 CA LEU A 14 -3.684 -0.021 -9.216 1.00 0.00 C ATOM 100 C LEU A 14 -2.607 1.061 -9.200 1.00 0.00 C ATOM 101 O LEU A 14 -2.873 2.219 -9.529 1.00 0.00 O ATOM 102 CB LEU A 14 -3.856 -0.558 -10.640 1.00 0.00 C ATOM 103 CG LEU A 14 -4.718 -1.819 -10.767 1.00 0.00 C ATOM 104 CD1 LEU A 14 -6.195 -1.455 -10.845 1.00 0.00 C ATOM 105 CD2 LEU A 14 -4.299 -2.626 -11.989 1.00 0.00 C ATOM 0 H LEU A 14 -5.500 1.016 -9.395 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.371 -0.837 -8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.297 0.226 -11.255 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.869 -0.770 -11.052 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.566 -2.432 -9.879 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.790 -2.364 -10.935 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.486 -0.919 -9.942 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.368 -0.821 -11.715 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.920 -3.518 -12.066 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.423 -2.019 -12.886 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.254 -2.919 -11.891 1.00 0.00 H new ATOM 117 N LEU A 15 -1.392 0.674 -8.818 1.00 0.00 N ATOM 118 CA LEU A 15 -0.268 1.604 -8.758 1.00 0.00 C ATOM 119 C LEU A 15 0.728 1.325 -9.881 1.00 0.00 C ATOM 120 O LEU A 15 1.296 0.234 -9.963 1.00 0.00 O ATOM 121 CB LEU A 15 0.431 1.501 -7.398 1.00 0.00 C ATOM 122 CG LEU A 15 0.961 2.822 -6.834 1.00 0.00 C ATOM 123 CD1 LEU A 15 -0.189 3.758 -6.487 1.00 0.00 C ATOM 124 CD2 LEU A 15 1.831 2.566 -5.611 1.00 0.00 C ATOM 0 H LEU A 15 -1.161 -0.281 -8.545 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.654 2.615 -8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.268 1.073 -6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.263 0.803 -7.488 1.00 0.00 H new ATOM 0 HG LEU A 15 1.572 3.302 -7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.209 4.691 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.772 3.967 -7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.828 3.287 -5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.200 3.515 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.242 2.064 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.675 1.936 -5.890 1.00 0.00 H new ATOM 136 N LEU A 16 0.939 2.320 -10.741 1.00 0.00 N ATOM 137 CA LEU A 16 1.871 2.186 -11.857 1.00 0.00 C ATOM 138 C LEU A 16 3.110 3.045 -11.624 1.00 0.00 C ATOM 139 O LEU A 16 3.022 4.274 -11.579 1.00 0.00 O ATOM 140 CB LEU A 16 1.197 2.588 -13.172 1.00 0.00 C ATOM 141 CG LEU A 16 2.068 2.433 -14.425 1.00 0.00 C ATOM 142 CD1 LEU A 16 1.876 1.056 -15.044 1.00 0.00 C ATOM 143 CD2 LEU A 16 1.747 3.527 -15.435 1.00 0.00 C ATOM 0 H LEU A 16 0.477 3.228 -10.686 1.00 0.00 H new ATOM 0 HA LEU A 16 2.174 1.141 -11.923 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.296 1.988 -13.299 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.879 3.628 -13.096 1.00 0.00 H new ATOM 0 HG LEU A 16 3.113 2.532 -14.133 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.502 0.966 -15.932 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.158 0.290 -14.322 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.830 0.925 -15.323 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.374 3.402 -16.318 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.698 3.460 -15.722 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.939 4.502 -14.988 1.00 0.00 H new ATOM 155 N LYS A 17 4.260 2.393 -11.477 1.00 0.00 N ATOM 156 CA LYS A 17 5.517 3.101 -11.249 1.00 0.00 C ATOM 157 C LYS A 17 6.670 2.436 -11.997 1.00 0.00 C ATOM 158 O LYS A 17 6.644 1.233 -12.264 1.00 0.00 O ATOM 159 CB LYS A 17 5.832 3.176 -9.749 1.00 0.00 C ATOM 160 CG LYS A 17 5.754 1.838 -9.028 1.00 0.00 C ATOM 161 CD LYS A 17 7.079 1.093 -9.083 1.00 0.00 C ATOM 162 CE LYS A 17 7.913 1.345 -7.837 1.00 0.00 C ATOM 163 NZ LYS A 17 9.213 0.617 -7.881 1.00 0.00 N ATOM 0 H LYS A 17 4.348 1.377 -11.512 1.00 0.00 H new ATOM 0 HA LYS A 17 5.401 4.114 -11.634 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.833 3.588 -9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.137 3.871 -9.278 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.471 2.001 -7.988 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.973 1.226 -9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.892 0.024 -9.187 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.637 1.406 -9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.099 2.414 -7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.352 1.033 -6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.751 0.815 -7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.036 -0.405 -7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.760 0.932 -8.708 1.00 0.00 H new ATOM 177 N GLU A 18 7.681 3.234 -12.328 1.00 0.00 N ATOM 178 CA GLU A 18 8.855 2.746 -13.045 1.00 0.00 C ATOM 179 C GLU A 18 10.011 2.476 -12.083 1.00 0.00 C ATOM 180 O GLU A 18 9.929 2.793 -10.894 1.00 0.00 O ATOM 181 CB GLU A 18 9.288 3.765 -14.102 1.00 0.00 C ATOM 182 CG GLU A 18 9.087 3.286 -15.529 1.00 0.00 C ATOM 183 CD GLU A 18 10.254 2.460 -16.032 1.00 0.00 C ATOM 184 OE1 GLU A 18 11.256 3.058 -16.476 1.00 0.00 O ATOM 185 OE2 GLU A 18 10.168 1.215 -15.975 1.00 0.00 O ATOM 0 H GLU A 18 7.710 4.230 -12.109 1.00 0.00 H new ATOM 0 HA GLU A 18 8.588 1.810 -13.534 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.727 4.688 -13.955 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.341 4.005 -13.953 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.175 2.692 -15.585 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.947 4.147 -16.182 1.00 0.00 H new ATOM 192 N ASP A 19 11.091 1.892 -12.608 1.00 0.00 N ATOM 193 CA ASP A 19 12.271 1.585 -11.797 1.00 0.00 C ATOM 194 C ASP A 19 12.841 2.852 -11.164 1.00 0.00 C ATOM 195 O ASP A 19 13.285 2.836 -10.015 1.00 0.00 O ATOM 196 CB ASP A 19 13.348 0.904 -12.646 1.00 0.00 C ATOM 197 CG ASP A 19 14.099 -0.165 -11.875 1.00 0.00 C ATOM 198 OD1 ASP A 19 14.839 0.192 -10.934 1.00 0.00 O ATOM 199 OD2 ASP A 19 13.945 -1.357 -12.210 1.00 0.00 O ATOM 0 H ASP A 19 11.172 1.623 -13.589 1.00 0.00 H new ATOM 0 HA ASP A 19 11.961 0.905 -11.004 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.885 0.457 -13.526 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.053 1.654 -13.004 1.00 0.00 H new ATOM 204 N HIS A 20 12.820 3.949 -11.921 1.00 0.00 N ATOM 205 CA HIS A 20 13.329 5.229 -11.436 1.00 0.00 C ATOM 206 C HIS A 20 12.381 5.846 -10.403 1.00 0.00 C ATOM 207 O HIS A 20 12.820 6.564 -9.503 1.00 0.00 O ATOM 208 CB HIS A 20 13.553 6.199 -12.605 1.00 0.00 C ATOM 209 CG HIS A 20 12.331 6.455 -13.436 1.00 0.00 C ATOM 210 ND1 HIS A 20 11.382 7.401 -13.109 1.00 0.00 N ATOM 211 CD2 HIS A 20 11.911 5.891 -14.595 1.00 0.00 C ATOM 212 CE1 HIS A 20 10.434 7.408 -14.029 1.00 0.00 C ATOM 213 NE2 HIS A 20 10.731 6.501 -14.942 1.00 0.00 N ATOM 0 H HIS A 20 12.455 3.975 -12.873 1.00 0.00 H new ATOM 0 HA HIS A 20 14.286 5.045 -10.948 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.915 7.148 -12.210 1.00 0.00 H new ATOM 0 HB3 HIS A 20 14.338 5.801 -13.247 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.412 5.107 -15.144 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.563 8.047 -14.034 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.174 6.288 -15.770 1.00 0.00 H new ATOM 222 N GLU A 21 11.081 5.564 -10.536 1.00 0.00 N ATOM 223 CA GLU A 21 10.077 6.091 -9.611 1.00 0.00 C ATOM 224 C GLU A 21 10.117 5.354 -8.271 1.00 0.00 C ATOM 225 O GLU A 21 10.771 4.316 -8.139 1.00 0.00 O ATOM 226 CB GLU A 21 8.672 5.978 -10.212 1.00 0.00 C ATOM 227 CG GLU A 21 8.523 6.643 -11.572 1.00 0.00 C ATOM 228 CD GLU A 21 7.082 6.686 -12.044 1.00 0.00 C ATOM 229 OE1 GLU A 21 6.257 7.351 -11.381 1.00 0.00 O ATOM 230 OE2 GLU A 21 6.776 6.051 -13.075 1.00 0.00 O ATOM 0 H GLU A 21 10.701 4.974 -11.276 1.00 0.00 H new ATOM 0 HA GLU A 21 10.312 7.142 -9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.412 4.924 -10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.956 6.423 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.915 7.659 -11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.126 6.105 -12.304 1.00 0.00 H new ATOM 237 N GLY A 22 9.407 5.899 -7.281 1.00 0.00 N ATOM 238 CA GLY A 22 9.367 5.288 -5.962 1.00 0.00 C ATOM 239 C GLY A 22 7.967 4.854 -5.553 1.00 0.00 C ATOM 240 O GLY A 22 7.147 4.503 -6.404 1.00 0.00 O ATOM 0 H GLY A 22 8.859 6.754 -7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.029 4.422 -5.948 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.752 5.995 -5.227 1.00 0.00 H new ATOM 244 N LEU A 23 7.699 4.876 -4.245 1.00 0.00 N ATOM 245 CA LEU A 23 6.393 4.479 -3.712 1.00 0.00 C ATOM 246 C LEU A 23 5.349 5.577 -3.923 1.00 0.00 C ATOM 247 O LEU A 23 4.343 5.362 -4.602 1.00 0.00 O ATOM 248 CB LEU A 23 6.504 4.135 -2.220 1.00 0.00 C ATOM 249 CG LEU A 23 5.576 3.013 -1.744 1.00 0.00 C ATOM 250 CD1 LEU A 23 6.207 1.653 -1.997 1.00 0.00 C ATOM 251 CD2 LEU A 23 5.243 3.182 -0.269 1.00 0.00 C ATOM 0 H LEU A 23 8.371 5.165 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 23 6.067 3.593 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.534 3.851 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.292 5.032 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 23 4.648 3.072 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.533 0.869 -1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.391 1.530 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.151 1.583 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.583 2.375 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.162 3.152 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.746 4.140 -0.116 1.00 0.00 H new ATOM 263 N GLY A 24 5.592 6.752 -3.336 1.00 0.00 N ATOM 264 CA GLY A 24 4.660 7.863 -3.473 1.00 0.00 C ATOM 265 C GLY A 24 3.825 8.115 -2.225 1.00 0.00 C ATOM 266 O GLY A 24 3.197 9.166 -2.105 1.00 0.00 O ATOM 0 H GLY A 24 6.416 6.953 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.218 8.767 -3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.993 7.666 -4.312 1.00 0.00 H new ATOM 270 N ILE A 25 3.815 7.157 -1.296 1.00 0.00 N ATOM 271 CA ILE A 25 3.049 7.294 -0.057 1.00 0.00 C ATOM 272 C ILE A 25 3.788 6.661 1.120 1.00 0.00 C ATOM 273 O ILE A 25 4.731 5.890 0.931 1.00 0.00 O ATOM 274 CB ILE A 25 1.650 6.644 -0.167 1.00 0.00 C ATOM 275 CG1 ILE A 25 1.745 5.251 -0.798 1.00 0.00 C ATOM 276 CG2 ILE A 25 0.706 7.530 -0.966 1.00 0.00 C ATOM 277 CD1 ILE A 25 1.225 4.147 0.096 1.00 0.00 C ATOM 0 H ILE A 25 4.328 6.279 -1.379 1.00 0.00 H new ATOM 0 HA ILE A 25 2.930 8.364 0.113 1.00 0.00 H new ATOM 0 HB ILE A 25 1.247 6.535 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.184 5.245 -1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.785 5.045 -1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.272 7.054 -1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.607 8.496 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.106 7.676 -1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.323 3.189 -0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.801 4.126 1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.175 4.330 0.327 1.00 0.00 H new ATOM 289 N SER A 26 3.346 6.988 2.332 1.00 0.00 N ATOM 290 CA SER A 26 3.951 6.449 3.545 1.00 0.00 C ATOM 291 C SER A 26 2.917 5.689 4.371 1.00 0.00 C ATOM 292 O SER A 26 1.784 6.147 4.539 1.00 0.00 O ATOM 293 CB SER A 26 4.562 7.576 4.378 1.00 0.00 C ATOM 294 OG SER A 26 5.475 7.065 5.334 1.00 0.00 O ATOM 0 H SER A 26 2.568 7.626 2.499 1.00 0.00 H new ATOM 0 HA SER A 26 4.740 5.755 3.255 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.073 8.281 3.723 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.771 8.128 4.885 1.00 0.00 H new ATOM 0 HG SER A 26 5.854 7.805 5.853 1.00 0.00 H new ATOM 300 N ILE A 27 3.315 4.527 4.885 1.00 0.00 N ATOM 301 CA ILE A 27 2.423 3.699 5.694 1.00 0.00 C ATOM 302 C ILE A 27 2.957 3.523 7.113 1.00 0.00 C ATOM 303 O ILE A 27 4.165 3.592 7.350 1.00 0.00 O ATOM 304 CB ILE A 27 2.201 2.305 5.064 1.00 0.00 C ATOM 305 CG1 ILE A 27 3.537 1.673 4.657 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.266 2.403 3.865 1.00 0.00 C ATOM 307 CD1 ILE A 27 3.405 0.258 4.137 1.00 0.00 C ATOM 0 H ILE A 27 4.249 4.138 4.756 1.00 0.00 H new ATOM 0 HA ILE A 27 1.469 4.225 5.731 1.00 0.00 H new ATOM 0 HB ILE A 27 1.736 1.663 5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.003 2.291 3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.207 1.674 5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.121 1.412 3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.304 2.803 4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.703 3.064 3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.390 -0.124 3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.968 -0.374 4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.761 0.252 3.257 1.00 0.00 H new ATOM 319 N THR A 28 2.043 3.291 8.054 1.00 0.00 N ATOM 320 CA THR A 28 2.411 3.103 9.453 1.00 0.00 C ATOM 321 C THR A 28 1.583 1.985 10.091 1.00 0.00 C ATOM 322 O THR A 28 0.413 1.794 9.752 1.00 0.00 O ATOM 323 CB THR A 28 2.232 4.415 10.230 1.00 0.00 C ATOM 324 OG1 THR A 28 2.507 4.230 11.611 1.00 0.00 O ATOM 325 CG2 THR A 28 0.841 5.007 10.110 1.00 0.00 C ATOM 0 H THR A 28 1.042 3.229 7.871 1.00 0.00 H new ATOM 0 HA THR A 28 3.460 2.811 9.495 1.00 0.00 H new ATOM 0 HB THR A 28 2.941 5.109 9.778 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.388 5.080 12.085 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.788 5.932 10.684 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.624 5.217 9.063 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.109 4.298 10.497 1.00 0.00 H new ATOM 333 N GLY A 29 2.205 1.249 11.012 1.00 0.00 N ATOM 334 CA GLY A 29 1.524 0.156 11.687 1.00 0.00 C ATOM 335 C GLY A 29 2.479 -0.941 12.123 1.00 0.00 C ATOM 336 O GLY A 29 3.655 -0.677 12.386 1.00 0.00 O ATOM 0 H GLY A 29 3.172 1.392 11.303 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.998 0.543 12.559 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.771 -0.265 11.021 1.00 0.00 H new ATOM 340 N GLY A 30 1.977 -2.174 12.197 1.00 0.00 N ATOM 341 CA GLY A 30 2.813 -3.291 12.600 1.00 0.00 C ATOM 342 C GLY A 30 2.009 -4.503 13.031 1.00 0.00 C ATOM 343 O GLY A 30 1.440 -4.518 14.125 1.00 0.00 O ATOM 0 H GLY A 30 1.009 -2.417 11.985 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.464 -3.569 11.771 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.458 -2.978 13.421 1.00 0.00 H new ATOM 347 N LYS A 31 1.968 -5.524 12.173 1.00 0.00 N ATOM 348 CA LYS A 31 1.234 -6.755 12.471 1.00 0.00 C ATOM 349 C LYS A 31 1.734 -7.397 13.768 1.00 0.00 C ATOM 350 O LYS A 31 0.950 -7.976 14.521 1.00 0.00 O ATOM 351 CB LYS A 31 1.361 -7.747 11.307 1.00 0.00 C ATOM 352 CG LYS A 31 0.165 -8.674 11.159 1.00 0.00 C ATOM 353 CD LYS A 31 0.105 -9.701 12.282 1.00 0.00 C ATOM 354 CE LYS A 31 -0.598 -10.974 11.835 1.00 0.00 C ATOM 355 NZ LYS A 31 -0.310 -12.124 12.740 1.00 0.00 N ATOM 0 H LYS A 31 2.435 -5.523 11.266 1.00 0.00 H new ATOM 0 HA LYS A 31 0.184 -6.496 12.604 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.494 -7.190 10.380 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.259 -8.348 11.450 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.753 -8.086 11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.219 -9.187 10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.116 -9.939 12.613 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.419 -9.276 13.138 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.674 -10.801 11.802 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.284 -11.224 10.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.809 -12.969 12.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.714 -12.308 12.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.633 -11.898 13.702 1.00 0.00 H new ATOM 369 N GLU A 32 3.040 -7.284 14.027 1.00 0.00 N ATOM 370 CA GLU A 32 3.638 -7.847 15.239 1.00 0.00 C ATOM 371 C GLU A 32 3.026 -7.226 16.498 1.00 0.00 C ATOM 372 O GLU A 32 2.925 -7.882 17.534 1.00 0.00 O ATOM 373 CB GLU A 32 5.153 -7.629 15.239 1.00 0.00 C ATOM 374 CG GLU A 32 5.848 -8.172 14.001 1.00 0.00 C ATOM 375 CD GLU A 32 7.341 -7.911 14.005 1.00 0.00 C ATOM 376 OE1 GLU A 32 7.745 -6.761 13.728 1.00 0.00 O ATOM 377 OE2 GLU A 32 8.108 -8.859 14.272 1.00 0.00 O ATOM 0 H GLU A 32 3.702 -6.808 13.414 1.00 0.00 H new ATOM 0 HA GLU A 32 3.429 -8.917 15.246 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.358 -6.562 15.321 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.580 -8.104 16.122 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.671 -9.245 13.932 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.407 -7.719 13.114 1.00 0.00 H new ATOM 384 N HIS A 33 2.614 -5.961 16.399 1.00 0.00 N ATOM 385 CA HIS A 33 2.006 -5.261 17.529 1.00 0.00 C ATOM 386 C HIS A 33 0.519 -5.596 17.648 1.00 0.00 C ATOM 387 O HIS A 33 -0.034 -5.612 18.748 1.00 0.00 O ATOM 388 CB HIS A 33 2.181 -3.746 17.382 1.00 0.00 C ATOM 389 CG HIS A 33 3.611 -3.304 17.327 1.00 0.00 C ATOM 390 ND1 HIS A 33 4.270 -2.752 18.406 1.00 0.00 N ATOM 391 CD2 HIS A 33 4.508 -3.328 16.312 1.00 0.00 C ATOM 392 CE1 HIS A 33 5.509 -2.454 18.056 1.00 0.00 C ATOM 393 NE2 HIS A 33 5.678 -2.795 16.792 1.00 0.00 N ATOM 0 H HIS A 33 2.691 -5.402 15.549 1.00 0.00 H new ATOM 0 HA HIS A 33 2.513 -5.594 18.435 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.674 -3.418 16.475 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.689 -3.250 18.219 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.335 -3.697 15.312 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.256 -2.007 18.695 1.00 0.00 H new ATOM 0 HE2 HIS A 33 6.540 -2.681 16.258 1.00 0.00 H new ATOM 402 N GLY A 34 -0.122 -5.856 16.508 1.00 0.00 N ATOM 403 CA GLY A 34 -1.539 -6.181 16.501 1.00 0.00 C ATOM 404 C GLY A 34 -2.384 -5.107 15.836 1.00 0.00 C ATOM 405 O GLY A 34 -3.535 -4.892 16.221 1.00 0.00 O ATOM 0 H GLY A 34 0.317 -5.847 15.588 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.688 -7.128 15.982 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.880 -6.323 17.527 1.00 0.00 H new ATOM 409 N VAL A 35 -1.817 -4.434 14.834 1.00 0.00 N ATOM 410 CA VAL A 35 -2.529 -3.383 14.116 1.00 0.00 C ATOM 411 C VAL A 35 -2.225 -3.445 12.618 1.00 0.00 C ATOM 412 O VAL A 35 -1.062 -3.526 12.215 1.00 0.00 O ATOM 413 CB VAL A 35 -2.169 -1.979 14.658 1.00 0.00 C ATOM 414 CG1 VAL A 35 -0.683 -1.689 14.486 1.00 0.00 C ATOM 415 CG2 VAL A 35 -3.012 -0.908 13.977 1.00 0.00 C ATOM 0 H VAL A 35 -0.867 -4.600 14.503 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.594 -3.552 14.274 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.391 -1.963 15.725 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.459 -0.696 14.875 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.102 -2.433 15.031 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.424 -1.731 13.428 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.744 0.072 14.372 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.828 -0.929 12.903 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.068 -1.100 14.168 1.00 0.00 H new ATOM 425 N PRO A 36 -3.272 -3.411 11.768 1.00 0.00 N ATOM 426 CA PRO A 36 -3.108 -3.464 10.311 1.00 0.00 C ATOM 427 C PRO A 36 -2.321 -2.268 9.778 1.00 0.00 C ATOM 428 O PRO A 36 -2.276 -1.213 10.413 1.00 0.00 O ATOM 429 CB PRO A 36 -4.549 -3.441 9.774 1.00 0.00 C ATOM 430 CG PRO A 36 -5.406 -3.820 10.935 1.00 0.00 C ATOM 431 CD PRO A 36 -4.691 -3.321 12.156 1.00 0.00 C ATOM 0 HA PRO A 36 -2.545 -4.344 10.000 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.813 -2.453 9.396 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.673 -4.142 8.948 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.396 -3.372 10.852 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.548 -4.900 10.980 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.978 -2.299 12.403 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.910 -3.933 13.031 1.00 0.00 H new ATOM 439 N ILE A 37 -1.703 -2.439 8.612 1.00 0.00 N ATOM 440 CA ILE A 37 -0.920 -1.371 7.997 1.00 0.00 C ATOM 441 C ILE A 37 -1.821 -0.443 7.187 1.00 0.00 C ATOM 442 O ILE A 37 -2.707 -0.904 6.464 1.00 0.00 O ATOM 443 CB ILE A 37 0.190 -1.927 7.076 1.00 0.00 C ATOM 444 CG1 ILE A 37 0.992 -3.023 7.789 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.114 -0.806 6.618 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.636 -2.567 9.082 1.00 0.00 C ATOM 0 H ILE A 37 -1.729 -3.306 8.075 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.450 -0.815 8.808 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.285 -2.367 6.199 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.332 -3.864 8.000 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.768 -3.388 7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.889 -1.215 5.971 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.538 -0.061 6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.577 -0.338 7.487 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.185 -3.397 9.527 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.323 -1.746 8.877 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.864 -2.230 9.774 1.00 0.00 H new ATOM 458 N LEU A 38 -1.593 0.865 7.313 1.00 0.00 N ATOM 459 CA LEU A 38 -2.392 1.852 6.590 1.00 0.00 C ATOM 460 C LEU A 38 -1.553 3.065 6.179 1.00 0.00 C ATOM 461 O LEU A 38 -0.501 3.334 6.762 1.00 0.00 O ATOM 462 CB LEU A 38 -3.587 2.301 7.439 1.00 0.00 C ATOM 463 CG LEU A 38 -3.276 2.609 8.907 1.00 0.00 C ATOM 464 CD1 LEU A 38 -4.091 3.802 9.387 1.00 0.00 C ATOM 465 CD2 LEU A 38 -3.549 1.390 9.778 1.00 0.00 C ATOM 0 H LEU A 38 -0.865 1.263 7.906 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.759 1.375 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.020 3.191 6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.349 1.522 7.403 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.218 2.860 8.989 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.857 4.006 10.432 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.847 4.676 8.783 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.154 3.579 9.290 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.322 1.627 10.817 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.598 1.108 9.691 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.922 0.561 9.450 1.00 0.00 H new ATOM 477 N ILE A 39 -2.034 3.791 5.167 1.00 0.00 N ATOM 478 CA ILE A 39 -1.345 4.977 4.661 1.00 0.00 C ATOM 479 C ILE A 39 -1.776 6.230 5.419 1.00 0.00 C ATOM 480 O ILE A 39 -2.970 6.530 5.507 1.00 0.00 O ATOM 481 CB ILE A 39 -1.614 5.197 3.153 1.00 0.00 C ATOM 482 CG1 ILE A 39 -1.461 3.885 2.375 1.00 0.00 C ATOM 483 CG2 ILE A 39 -0.677 6.261 2.593 1.00 0.00 C ATOM 484 CD1 ILE A 39 -2.036 3.939 0.975 1.00 0.00 C ATOM 0 H ILE A 39 -2.904 3.575 4.680 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.280 4.803 4.812 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.641 5.544 3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.403 3.630 2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.951 3.085 2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.880 6.403 1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.836 7.201 3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.357 5.941 2.725 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.892 2.976 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.101 4.163 1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.529 4.717 0.403 1.00 0.00 H new ATOM 496 N SER A 40 -0.798 6.958 5.956 1.00 0.00 N ATOM 497 CA SER A 40 -1.068 8.184 6.702 1.00 0.00 C ATOM 498 C SER A 40 -0.590 9.422 5.935 1.00 0.00 C ATOM 499 O SER A 40 -1.210 10.483 6.019 1.00 0.00 O ATOM 500 CB SER A 40 -0.392 8.129 8.074 1.00 0.00 C ATOM 501 OG SER A 40 -0.886 9.145 8.932 1.00 0.00 O ATOM 0 H SER A 40 0.191 6.718 5.887 1.00 0.00 H new ATOM 0 HA SER A 40 -2.147 8.262 6.834 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.563 7.152 8.527 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.686 8.242 7.956 1.00 0.00 H new ATOM 0 HG SER A 40 -0.438 9.085 9.802 1.00 0.00 H new ATOM 507 N GLU A 41 0.514 9.287 5.195 1.00 0.00 N ATOM 508 CA GLU A 41 1.061 10.404 4.427 1.00 0.00 C ATOM 509 C GLU A 41 1.189 10.052 2.948 1.00 0.00 C ATOM 510 O GLU A 41 1.448 8.900 2.593 1.00 0.00 O ATOM 511 CB GLU A 41 2.429 10.813 4.983 1.00 0.00 C ATOM 512 CG GLU A 41 2.803 12.257 4.683 1.00 0.00 C ATOM 513 CD GLU A 41 3.984 12.736 5.506 1.00 0.00 C ATOM 514 OE1 GLU A 41 3.839 12.851 6.742 1.00 0.00 O ATOM 515 OE2 GLU A 41 5.055 12.992 4.916 1.00 0.00 O ATOM 0 H GLU A 41 1.043 8.419 5.113 1.00 0.00 H new ATOM 0 HA GLU A 41 0.369 11.241 4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.433 10.663 6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.192 10.155 4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.040 12.355 3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.944 12.899 4.878 1.00 0.00 H new ATOM 522 N ILE A 42 1.012 11.057 2.091 1.00 0.00 N ATOM 523 CA ILE A 42 1.114 10.870 0.648 1.00 0.00 C ATOM 524 C ILE A 42 2.093 11.876 0.045 1.00 0.00 C ATOM 525 O ILE A 42 1.894 13.088 0.155 1.00 0.00 O ATOM 526 CB ILE A 42 -0.260 11.020 -0.047 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.312 10.135 0.632 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.149 10.675 -1.528 1.00 0.00 C ATOM 529 CD1 ILE A 42 -2.493 10.912 1.171 1.00 0.00 C ATOM 0 H ILE A 42 0.796 12.013 2.375 1.00 0.00 H new ATOM 0 HA ILE A 42 1.478 9.856 0.481 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.577 12.059 0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.670 9.394 -0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.843 9.588 1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.125 10.786 -2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.565 11.347 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.192 9.646 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.198 10.225 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.147 11.634 1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.986 11.438 0.354 1.00 0.00 H new ATOM 541 N HIS A 43 3.147 11.367 -0.591 1.00 0.00 N ATOM 542 CA HIS A 43 4.159 12.219 -1.214 1.00 0.00 C ATOM 543 C HIS A 43 3.664 12.751 -2.559 1.00 0.00 C ATOM 544 O HIS A 43 3.469 11.981 -3.501 1.00 0.00 O ATOM 545 CB HIS A 43 5.467 11.443 -1.412 1.00 0.00 C ATOM 546 CG HIS A 43 6.113 11.001 -0.131 1.00 0.00 C ATOM 547 ND1 HIS A 43 7.451 11.196 0.144 1.00 0.00 N ATOM 548 CD2 HIS A 43 5.598 10.370 0.952 1.00 0.00 C ATOM 549 CE1 HIS A 43 7.730 10.705 1.339 1.00 0.00 C ATOM 550 NE2 HIS A 43 6.622 10.199 1.851 1.00 0.00 N ATOM 0 H HIS A 43 3.323 10.367 -0.689 1.00 0.00 H new ATOM 0 HA HIS A 43 4.345 13.063 -0.550 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.268 10.566 -2.028 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.169 12.068 -1.964 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.572 10.059 1.084 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.699 10.716 1.816 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.540 9.754 2.765 1.00 0.00 H new ATOM 559 N PRO A 44 3.447 14.079 -2.665 1.00 0.00 N ATOM 560 CA PRO A 44 2.965 14.710 -3.903 1.00 0.00 C ATOM 561 C PRO A 44 3.913 14.495 -5.080 1.00 0.00 C ATOM 562 O PRO A 44 5.127 14.376 -4.900 1.00 0.00 O ATOM 563 CB PRO A 44 2.889 16.201 -3.550 1.00 0.00 C ATOM 564 CG PRO A 44 2.833 16.242 -2.062 1.00 0.00 C ATOM 565 CD PRO A 44 3.644 15.070 -1.592 1.00 0.00 C ATOM 0 HA PRO A 44 2.013 14.285 -4.221 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.758 16.741 -3.927 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.008 16.667 -3.991 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.241 17.178 -1.681 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.805 16.174 -1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.696 15.330 -1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.294 14.697 -0.629 1.00 0.00 H new ATOM 573 N GLY A 45 3.347 14.448 -6.286 1.00 0.00 N ATOM 574 CA GLY A 45 4.148 14.248 -7.484 1.00 0.00 C ATOM 575 C GLY A 45 4.581 12.803 -7.661 1.00 0.00 C ATOM 576 O GLY A 45 5.711 12.533 -8.070 1.00 0.00 O ATOM 0 H GLY A 45 2.346 14.545 -6.454 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.575 14.561 -8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.031 14.885 -7.437 1.00 0.00 H new ATOM 580 N GLN A 46 3.677 11.876 -7.353 1.00 0.00 N ATOM 581 CA GLN A 46 3.955 10.449 -7.475 1.00 0.00 C ATOM 582 C GLN A 46 2.702 9.701 -7.937 1.00 0.00 C ATOM 583 O GLN A 46 1.623 10.291 -8.021 1.00 0.00 O ATOM 584 CB GLN A 46 4.441 9.893 -6.132 1.00 0.00 C ATOM 585 CG GLN A 46 5.849 9.319 -6.184 1.00 0.00 C ATOM 586 CD GLN A 46 6.793 9.982 -5.197 1.00 0.00 C ATOM 587 OE1 GLN A 46 7.468 9.308 -4.419 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.842 11.311 -5.219 1.00 0.00 N ATOM 0 H GLN A 46 2.739 12.091 -7.015 1.00 0.00 H new ATOM 0 HA GLN A 46 4.738 10.306 -8.220 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.409 10.687 -5.386 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.753 9.116 -5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.808 8.249 -5.978 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.246 9.434 -7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.266 11.832 -5.880 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.456 11.809 -4.575 1.00 0.00 H new ATOM 597 N PRO A 47 2.823 8.390 -8.241 1.00 0.00 N ATOM 598 CA PRO A 47 1.687 7.573 -8.690 1.00 0.00 C ATOM 599 C PRO A 47 0.476 7.682 -7.763 1.00 0.00 C ATOM 600 O PRO A 47 -0.665 7.608 -8.217 1.00 0.00 O ATOM 601 CB PRO A 47 2.243 6.148 -8.669 1.00 0.00 C ATOM 602 CG PRO A 47 3.707 6.314 -8.862 1.00 0.00 C ATOM 603 CD PRO A 47 4.070 7.601 -8.172 1.00 0.00 C ATOM 0 HA PRO A 47 1.324 7.894 -9.666 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.022 5.650 -7.725 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.805 5.540 -9.461 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.255 5.474 -8.435 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.959 6.354 -9.922 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.381 7.430 -7.141 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.894 8.108 -8.674 1.00 0.00 H new ATOM 611 N ALA A 48 0.732 7.863 -6.464 1.00 0.00 N ATOM 612 CA ALA A 48 -0.340 7.988 -5.479 1.00 0.00 C ATOM 613 C ALA A 48 -1.205 9.215 -5.760 1.00 0.00 C ATOM 614 O ALA A 48 -2.434 9.133 -5.747 1.00 0.00 O ATOM 615 CB ALA A 48 0.241 8.059 -4.074 1.00 0.00 C ATOM 0 H ALA A 48 1.672 7.926 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.974 7.105 -5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.568 8.152 -3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.809 7.152 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.899 8.924 -3.996 1.00 0.00 H new ATOM 621 N ASP A 49 -0.556 10.350 -6.023 1.00 0.00 N ATOM 622 CA ASP A 49 -1.270 11.592 -6.318 1.00 0.00 C ATOM 623 C ASP A 49 -2.066 11.461 -7.614 1.00 0.00 C ATOM 624 O ASP A 49 -3.206 11.917 -7.703 1.00 0.00 O ATOM 625 CB ASP A 49 -0.289 12.765 -6.427 1.00 0.00 C ATOM 626 CG ASP A 49 -0.853 14.046 -5.844 1.00 0.00 C ATOM 627 OD1 ASP A 49 -1.828 14.581 -6.413 1.00 0.00 O ATOM 628 OD2 ASP A 49 -0.318 14.515 -4.818 1.00 0.00 O ATOM 0 H ASP A 49 0.460 10.435 -6.038 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.962 11.786 -5.498 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.636 12.510 -5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.035 12.927 -7.475 1.00 0.00 H new ATOM 633 N ARG A 50 -1.453 10.832 -8.616 1.00 0.00 N ATOM 634 CA ARG A 50 -2.096 10.634 -9.913 1.00 0.00 C ATOM 635 C ARG A 50 -3.250 9.633 -9.823 1.00 0.00 C ATOM 636 O ARG A 50 -4.213 9.723 -10.585 1.00 0.00 O ATOM 637 CB ARG A 50 -1.073 10.149 -10.942 1.00 0.00 C ATOM 638 CG ARG A 50 0.105 11.093 -11.126 1.00 0.00 C ATOM 639 CD ARG A 50 0.536 11.172 -12.583 1.00 0.00 C ATOM 640 NE ARG A 50 0.710 12.554 -13.029 1.00 0.00 N ATOM 641 CZ ARG A 50 1.737 13.332 -12.674 1.00 0.00 C ATOM 642 NH1 ARG A 50 2.687 12.871 -11.860 1.00 0.00 N ATOM 643 NH2 ARG A 50 1.813 14.577 -13.135 1.00 0.00 N ATOM 0 H ARG A 50 -0.509 10.450 -8.553 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.504 11.595 -10.228 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.699 9.172 -10.637 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.572 10.014 -11.902 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.166 12.088 -10.772 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.942 10.754 -10.516 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.472 10.628 -12.714 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.209 10.680 -13.209 1.00 0.00 H new ATOM 0 HE ARG A 50 0.003 12.949 -13.650 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.634 11.917 -11.503 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.467 13.472 -11.595 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.089 14.935 -13.757 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.595 15.174 -12.866 1.00 0.00 H new ATOM 657 N CYS A 51 -3.148 8.678 -8.895 1.00 0.00 N ATOM 658 CA CYS A 51 -4.188 7.665 -8.720 1.00 0.00 C ATOM 659 C CYS A 51 -5.466 8.265 -8.123 1.00 0.00 C ATOM 660 O CYS A 51 -6.562 7.762 -8.371 1.00 0.00 O ATOM 661 CB CYS A 51 -3.683 6.532 -7.820 1.00 0.00 C ATOM 662 SG CYS A 51 -2.714 5.275 -8.687 1.00 0.00 S ATOM 0 H CYS A 51 -2.358 8.586 -8.256 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.426 7.268 -9.707 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.074 6.959 -7.024 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.538 6.052 -7.344 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.368 4.152 -8.694 1.00 0.00 H new ATOM 668 N GLY A 52 -5.323 9.339 -7.338 1.00 0.00 N ATOM 669 CA GLY A 52 -6.481 9.981 -6.726 1.00 0.00 C ATOM 670 C GLY A 52 -6.998 9.231 -5.506 1.00 0.00 C ATOM 671 O GLY A 52 -7.073 9.793 -4.413 1.00 0.00 O ATOM 0 H GLY A 52 -4.427 9.774 -7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.215 10.998 -6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.279 10.059 -7.464 1.00 0.00 H new ATOM 675 N GLY A 53 -7.357 7.957 -5.698 1.00 0.00 N ATOM 676 CA GLY A 53 -7.868 7.136 -4.606 1.00 0.00 C ATOM 677 C GLY A 53 -6.941 7.087 -3.399 1.00 0.00 C ATOM 678 O GLY A 53 -7.397 6.853 -2.278 1.00 0.00 O ATOM 0 H GLY A 53 -7.302 7.478 -6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.838 7.523 -4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.032 6.122 -4.970 1.00 0.00 H new ATOM 682 N LEU A 54 -5.641 7.309 -3.623 1.00 0.00 N ATOM 683 CA LEU A 54 -4.658 7.295 -2.538 1.00 0.00 C ATOM 684 C LEU A 54 -4.922 8.445 -1.561 1.00 0.00 C ATOM 685 O LEU A 54 -4.412 9.554 -1.734 1.00 0.00 O ATOM 686 CB LEU A 54 -3.233 7.394 -3.104 1.00 0.00 C ATOM 687 CG LEU A 54 -2.519 6.057 -3.338 1.00 0.00 C ATOM 688 CD1 LEU A 54 -2.320 5.318 -2.024 1.00 0.00 C ATOM 689 CD2 LEU A 54 -3.291 5.197 -4.330 1.00 0.00 C ATOM 0 H LEU A 54 -5.247 7.500 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.754 6.352 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.274 7.934 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.631 7.993 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.538 6.266 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.812 4.372 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.716 5.927 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.290 5.124 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.765 4.254 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.289 4.998 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.372 5.723 -5.281 1.00 0.00 H new ATOM 701 N HIS A 55 -5.738 8.167 -0.544 1.00 0.00 N ATOM 702 CA HIS A 55 -6.100 9.164 0.463 1.00 0.00 C ATOM 703 C HIS A 55 -5.582 8.768 1.844 1.00 0.00 C ATOM 704 O HIS A 55 -5.344 7.589 2.113 1.00 0.00 O ATOM 705 CB HIS A 55 -7.625 9.337 0.514 1.00 0.00 C ATOM 706 CG HIS A 55 -8.368 8.067 0.832 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.218 7.380 2.021 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.254 7.349 0.098 1.00 0.00 C ATOM 709 CE1 HIS A 55 -8.972 6.298 2.002 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.610 6.255 0.849 1.00 0.00 N ATOM 0 H HIS A 55 -6.164 7.252 -0.396 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.636 10.109 0.179 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.872 10.089 1.263 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.971 9.719 -0.447 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.613 7.592 -0.891 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.053 5.571 2.796 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.263 5.526 0.561 1.00 0.00 H new ATOM 719 N VAL A 56 -5.430 9.759 2.723 1.00 0.00 N ATOM 720 CA VAL A 56 -4.962 9.505 4.084 1.00 0.00 C ATOM 721 C VAL A 56 -5.972 8.638 4.838 1.00 0.00 C ATOM 722 O VAL A 56 -7.174 8.914 4.817 1.00 0.00 O ATOM 723 CB VAL A 56 -4.741 10.814 4.875 1.00 0.00 C ATOM 724 CG1 VAL A 56 -4.158 10.519 6.251 1.00 0.00 C ATOM 725 CG2 VAL A 56 -3.841 11.774 4.108 1.00 0.00 C ATOM 0 H VAL A 56 -5.623 10.739 2.518 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.007 8.987 4.000 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.711 11.293 5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.010 11.454 6.792 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.845 9.882 6.808 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.201 10.009 6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.703 12.686 4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.873 11.305 3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.302 12.019 3.151 1.00 0.00 H new ATOM 735 N GLY A 57 -5.478 7.593 5.498 1.00 0.00 N ATOM 736 CA GLY A 57 -6.349 6.700 6.248 1.00 0.00 C ATOM 737 C GLY A 57 -6.815 5.507 5.430 1.00 0.00 C ATOM 738 O GLY A 57 -7.976 5.101 5.523 1.00 0.00 O ATOM 0 H GLY A 57 -4.488 7.348 5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.821 6.344 7.133 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.218 7.257 6.598 1.00 0.00 H new ATOM 742 N ASP A 58 -5.905 4.936 4.637 1.00 0.00 N ATOM 743 CA ASP A 58 -6.225 3.774 3.811 1.00 0.00 C ATOM 744 C ASP A 58 -5.504 2.538 4.343 1.00 0.00 C ATOM 745 O ASP A 58 -4.273 2.512 4.400 1.00 0.00 O ATOM 746 CB ASP A 58 -5.833 4.025 2.348 1.00 0.00 C ATOM 747 CG ASP A 58 -6.984 3.806 1.376 1.00 0.00 C ATOM 748 OD1 ASP A 58 -7.912 3.033 1.704 1.00 0.00 O ATOM 749 OD2 ASP A 58 -6.955 4.408 0.282 1.00 0.00 O ATOM 0 H ASP A 58 -4.942 5.261 4.551 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.301 3.605 3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.468 5.047 2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.008 3.364 2.080 1.00 0.00 H new ATOM 754 N ALA A 59 -6.270 1.522 4.743 1.00 0.00 N ATOM 755 CA ALA A 59 -5.692 0.292 5.286 1.00 0.00 C ATOM 756 C ALA A 59 -5.489 -0.768 4.205 1.00 0.00 C ATOM 757 O ALA A 59 -6.404 -1.067 3.437 1.00 0.00 O ATOM 758 CB ALA A 59 -6.570 -0.254 6.405 1.00 0.00 C ATOM 0 H ALA A 59 -7.289 1.526 4.701 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.710 0.540 5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.129 -1.169 6.800 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.646 0.486 7.202 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.565 -0.470 6.015 1.00 0.00 H new ATOM 764 N ILE A 60 -4.282 -1.338 4.161 1.00 0.00 N ATOM 765 CA ILE A 60 -3.945 -2.373 3.181 1.00 0.00 C ATOM 766 C ILE A 60 -4.445 -3.747 3.628 1.00 0.00 C ATOM 767 O ILE A 60 -4.543 -4.026 4.824 1.00 0.00 O ATOM 768 CB ILE A 60 -2.419 -2.464 2.942 1.00 0.00 C ATOM 769 CG1 ILE A 60 -1.819 -1.076 2.699 1.00 0.00 C ATOM 770 CG2 ILE A 60 -2.119 -3.384 1.767 1.00 0.00 C ATOM 771 CD1 ILE A 60 -1.115 -0.502 3.909 1.00 0.00 C ATOM 0 H ILE A 60 -3.520 -1.099 4.795 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.439 -2.085 2.253 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.960 -2.881 3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.112 -1.134 1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.613 -0.394 2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.041 -3.437 1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.505 -4.381 1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.596 -2.993 0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.715 0.482 3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.823 -0.411 4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.299 -1.163 4.203 1.00 0.00 H new ATOM 783 N LEU A 61 -4.746 -4.604 2.651 1.00 0.00 N ATOM 784 CA LEU A 61 -5.223 -5.957 2.928 1.00 0.00 C ATOM 785 C LEU A 61 -4.540 -6.977 2.013 1.00 0.00 C ATOM 786 O LEU A 61 -3.994 -7.976 2.489 1.00 0.00 O ATOM 787 CB LEU A 61 -6.742 -6.030 2.762 1.00 0.00 C ATOM 788 CG LEU A 61 -7.550 -5.523 3.961 1.00 0.00 C ATOM 789 CD1 LEU A 61 -8.996 -5.265 3.565 1.00 0.00 C ATOM 790 CD2 LEU A 61 -7.480 -6.516 5.114 1.00 0.00 C ATOM 0 H LEU A 61 -4.667 -4.383 1.658 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.969 -6.201 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.024 -5.452 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.022 -7.065 2.566 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.113 -4.581 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.552 -4.906 4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.029 -4.514 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.445 -6.190 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.060 -6.138 5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.888 -7.475 4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.442 -6.647 5.419 1.00 0.00 H new ATOM 802 N ALA A 62 -4.569 -6.723 0.701 1.00 0.00 N ATOM 803 CA ALA A 62 -3.948 -7.624 -0.269 1.00 0.00 C ATOM 804 C ALA A 62 -3.237 -6.848 -1.377 1.00 0.00 C ATOM 805 O ALA A 62 -3.670 -5.760 -1.764 1.00 0.00 O ATOM 806 CB ALA A 62 -4.989 -8.563 -0.863 1.00 0.00 C ATOM 0 H ALA A 62 -5.015 -5.903 0.289 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.199 -8.215 0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.511 -9.227 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.441 -9.155 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.761 -7.980 -1.364 1.00 0.00 H new ATOM 812 N VAL A 63 -2.145 -7.419 -1.886 1.00 0.00 N ATOM 813 CA VAL A 63 -1.370 -6.792 -2.954 1.00 0.00 C ATOM 814 C VAL A 63 -1.119 -7.783 -4.085 1.00 0.00 C ATOM 815 O VAL A 63 -0.439 -8.793 -3.894 1.00 0.00 O ATOM 816 CB VAL A 63 -0.015 -6.261 -2.441 1.00 0.00 C ATOM 817 CG1 VAL A 63 0.710 -5.496 -3.540 1.00 0.00 C ATOM 818 CG2 VAL A 63 -0.211 -5.389 -1.209 1.00 0.00 C ATOM 0 H VAL A 63 -1.777 -8.318 -1.574 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.957 -5.950 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 63 0.603 -7.112 -2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.663 -5.129 -3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.888 -6.158 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.098 -4.653 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.756 -5.025 -0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.849 -4.542 -1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.681 -5.975 -0.419 1.00 0.00 H new ATOM 828 N ASN A 64 -1.675 -7.489 -5.262 1.00 0.00 N ATOM 829 CA ASN A 64 -1.523 -8.353 -6.434 1.00 0.00 C ATOM 830 C ASN A 64 -1.961 -9.789 -6.115 1.00 0.00 C ATOM 831 O ASN A 64 -1.405 -10.751 -6.649 1.00 0.00 O ATOM 832 CB ASN A 64 -0.068 -8.331 -6.930 1.00 0.00 C ATOM 833 CG ASN A 64 0.029 -8.203 -8.442 1.00 0.00 C ATOM 834 OD1 ASN A 64 -0.787 -8.762 -9.176 1.00 0.00 O ATOM 835 ND2 ASN A 64 1.029 -7.465 -8.920 1.00 0.00 N ATOM 0 H ASN A 64 -2.237 -6.655 -5.429 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.167 -7.971 -7.226 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.459 -7.499 -6.463 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.435 -9.245 -6.613 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.139 -7.347 -9.927 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.685 -7.018 -8.279 1.00 0.00 H new ATOM 842 N GLY A 65 -2.959 -9.924 -5.235 1.00 0.00 N ATOM 843 CA GLY A 65 -3.449 -11.241 -4.855 1.00 0.00 C ATOM 844 C GLY A 65 -2.769 -11.803 -3.609 1.00 0.00 C ATOM 845 O GLY A 65 -3.280 -12.740 -2.992 1.00 0.00 O ATOM 0 H GLY A 65 -3.434 -9.144 -4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.523 -11.184 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.297 -11.931 -5.685 1.00 0.00 H new ATOM 849 N VAL A 66 -1.618 -11.234 -3.235 1.00 0.00 N ATOM 850 CA VAL A 66 -0.878 -11.689 -2.058 1.00 0.00 C ATOM 851 C VAL A 66 -1.425 -11.047 -0.784 1.00 0.00 C ATOM 852 O VAL A 66 -1.738 -9.856 -0.763 1.00 0.00 O ATOM 853 CB VAL A 66 0.630 -11.377 -2.187 1.00 0.00 C ATOM 854 CG1 VAL A 66 1.421 -12.049 -1.072 1.00 0.00 C ATOM 855 CG2 VAL A 66 1.148 -11.814 -3.551 1.00 0.00 C ATOM 0 H VAL A 66 -1.181 -10.458 -3.732 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.008 -12.769 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 66 0.765 -10.299 -2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.480 -11.815 -1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.069 -11.685 -0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.281 -13.129 -1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.212 -11.587 -3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.996 -12.887 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.607 -11.281 -4.333 1.00 0.00 H new ATOM 865 N ASN A 67 -1.544 -11.851 0.275 1.00 0.00 N ATOM 866 CA ASN A 67 -2.063 -11.371 1.557 1.00 0.00 C ATOM 867 C ASN A 67 -1.024 -10.528 2.295 1.00 0.00 C ATOM 868 O ASN A 67 0.130 -10.935 2.440 1.00 0.00 O ATOM 869 CB ASN A 67 -2.494 -12.553 2.438 1.00 0.00 C ATOM 870 CG ASN A 67 -4.001 -12.740 2.477 1.00 0.00 C ATOM 871 OD1 ASN A 67 -4.682 -12.609 1.459 1.00 0.00 O ATOM 872 ND2 ASN A 67 -4.532 -13.054 3.656 1.00 0.00 N ATOM 0 H ASN A 67 -1.288 -12.838 0.270 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.930 -10.744 1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.029 -13.466 2.066 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.125 -12.398 3.452 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.539 -13.196 3.741 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.932 -13.153 4.475 1.00 0.00 H new ATOM 879 N LEU A 68 -1.447 -9.354 2.767 1.00 0.00 N ATOM 880 CA LEU A 68 -0.560 -8.451 3.502 1.00 0.00 C ATOM 881 C LEU A 68 -0.909 -8.412 4.994 1.00 0.00 C ATOM 882 O LEU A 68 -0.064 -8.067 5.820 1.00 0.00 O ATOM 883 CB LEU A 68 -0.627 -7.036 2.913 1.00 0.00 C ATOM 884 CG LEU A 68 0.411 -6.050 3.469 1.00 0.00 C ATOM 885 CD1 LEU A 68 0.946 -5.149 2.365 1.00 0.00 C ATOM 886 CD2 LEU A 68 -0.187 -5.218 4.598 1.00 0.00 C ATOM 0 H LEU A 68 -2.399 -9.006 2.653 1.00 0.00 H new ATOM 0 HA LEU A 68 0.456 -8.834 3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.500 -7.102 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.623 -6.631 3.093 1.00 0.00 H new ATOM 0 HG LEU A 68 1.244 -6.626 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.680 -4.459 2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.418 -5.759 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.124 -4.583 1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.565 -4.526 4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.041 -4.655 4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.513 -5.877 5.403 1.00 0.00 H new ATOM 898 N ARG A 69 -2.153 -8.768 5.341 1.00 0.00 N ATOM 899 CA ARG A 69 -2.588 -8.764 6.742 1.00 0.00 C ATOM 900 C ARG A 69 -1.757 -9.734 7.590 1.00 0.00 C ATOM 901 O ARG A 69 -1.590 -9.524 8.792 1.00 0.00 O ATOM 902 CB ARG A 69 -4.075 -9.126 6.847 1.00 0.00 C ATOM 903 CG ARG A 69 -4.700 -8.765 8.190 1.00 0.00 C ATOM 904 CD ARG A 69 -6.142 -8.299 8.036 1.00 0.00 C ATOM 905 NE ARG A 69 -6.905 -8.434 9.280 1.00 0.00 N ATOM 906 CZ ARG A 69 -8.064 -7.810 9.524 1.00 0.00 C ATOM 907 NH1 ARG A 69 -8.604 -7.002 8.614 1.00 0.00 N ATOM 908 NH2 ARG A 69 -8.686 -7.997 10.683 1.00 0.00 N ATOM 0 H ARG A 69 -2.870 -9.060 4.676 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.437 -7.756 7.128 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.621 -8.616 6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.192 -10.196 6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.667 -9.631 8.851 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.113 -7.979 8.665 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.153 -7.257 7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.627 -8.878 7.250 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.529 -9.043 10.007 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.134 -6.854 7.721 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.487 -6.531 8.810 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.280 -8.615 11.386 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.569 -7.522 10.870 1.00 0.00 H new ATOM 922 N ASP A 70 -1.243 -10.795 6.964 1.00 0.00 N ATOM 923 CA ASP A 70 -0.435 -11.793 7.667 1.00 0.00 C ATOM 924 C ASP A 70 1.071 -11.504 7.553 1.00 0.00 C ATOM 925 O ASP A 70 1.895 -12.356 7.897 1.00 0.00 O ATOM 926 CB ASP A 70 -0.738 -13.193 7.126 1.00 0.00 C ATOM 927 CG ASP A 70 -2.108 -13.696 7.544 1.00 0.00 C ATOM 928 OD1 ASP A 70 -3.118 -13.118 7.090 1.00 0.00 O ATOM 929 OD2 ASP A 70 -2.170 -14.671 8.324 1.00 0.00 O ATOM 0 H ASP A 70 -1.372 -10.985 5.970 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.702 -11.741 8.723 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.676 -13.179 6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.024 -13.888 7.480 1.00 0.00 H new ATOM 934 N THR A 71 1.429 -10.307 7.078 1.00 0.00 N ATOM 935 CA THR A 71 2.834 -9.929 6.934 1.00 0.00 C ATOM 936 C THR A 71 3.187 -8.797 7.897 1.00 0.00 C ATOM 937 O THR A 71 2.303 -8.119 8.423 1.00 0.00 O ATOM 938 CB THR A 71 3.145 -9.512 5.488 1.00 0.00 C ATOM 939 OG1 THR A 71 2.608 -8.232 5.200 1.00 0.00 O ATOM 940 CG2 THR A 71 2.606 -10.477 4.452 1.00 0.00 C ATOM 0 H THR A 71 0.767 -9.587 6.788 1.00 0.00 H new ATOM 0 HA THR A 71 3.443 -10.799 7.179 1.00 0.00 H new ATOM 0 HB THR A 71 4.233 -9.506 5.425 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.694 -8.174 5.549 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.862 -10.120 3.454 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.045 -11.462 4.609 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.522 -10.544 4.546 1.00 0.00 H new ATOM 948 N LYS A 72 4.485 -8.603 8.126 1.00 0.00 N ATOM 949 CA LYS A 72 4.964 -7.557 9.028 1.00 0.00 C ATOM 950 C LYS A 72 5.173 -6.239 8.284 1.00 0.00 C ATOM 951 O LYS A 72 5.282 -6.223 7.059 1.00 0.00 O ATOM 952 CB LYS A 72 6.271 -7.992 9.693 1.00 0.00 C ATOM 953 CG LYS A 72 6.071 -8.797 10.967 1.00 0.00 C ATOM 954 CD LYS A 72 6.156 -10.294 10.709 1.00 0.00 C ATOM 955 CE LYS A 72 6.943 -11.009 11.801 1.00 0.00 C ATOM 956 NZ LYS A 72 8.346 -10.511 11.903 1.00 0.00 N ATOM 0 H LYS A 72 5.226 -9.158 7.698 1.00 0.00 H new ATOM 0 HA LYS A 72 4.205 -7.400 9.794 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.848 -8.587 8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.864 -7.106 9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.826 -8.511 11.700 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.100 -8.557 11.400 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.151 -10.711 10.652 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.630 -10.471 9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.440 -10.871 12.758 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.953 -12.080 11.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.995 -11.318 12.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.588 -9.975 11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.435 -9.892 12.734 1.00 0.00 H new ATOM 970 N HIS A 73 5.229 -5.136 9.033 1.00 0.00 N ATOM 971 CA HIS A 73 5.428 -3.809 8.441 1.00 0.00 C ATOM 972 C HIS A 73 6.676 -3.783 7.556 1.00 0.00 C ATOM 973 O HIS A 73 6.617 -3.351 6.405 1.00 0.00 O ATOM 974 CB HIS A 73 5.541 -2.743 9.537 1.00 0.00 C ATOM 975 CG HIS A 73 5.422 -1.335 9.034 1.00 0.00 C ATOM 976 ND1 HIS A 73 6.228 -0.308 9.477 1.00 0.00 N ATOM 977 CD2 HIS A 73 4.580 -0.782 8.126 1.00 0.00 C ATOM 978 CE1 HIS A 73 5.888 0.813 8.867 1.00 0.00 C ATOM 979 NE2 HIS A 73 4.892 0.553 8.042 1.00 0.00 N ATOM 0 H HIS A 73 5.140 -5.134 10.049 1.00 0.00 H new ATOM 0 HA HIS A 73 4.561 -3.587 7.819 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.765 -2.919 10.282 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.500 -2.857 10.043 1.00 0.00 H new ATOM 0 HD1 HIS A 73 6.972 -0.400 10.169 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.808 -1.296 7.572 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.347 1.779 9.018 1.00 0.00 H new ATOM 988 N LYS A 74 7.803 -4.254 8.099 1.00 0.00 N ATOM 989 CA LYS A 74 9.061 -4.287 7.353 1.00 0.00 C ATOM 990 C LYS A 74 8.992 -5.303 6.214 1.00 0.00 C ATOM 991 O LYS A 74 9.435 -5.026 5.099 1.00 0.00 O ATOM 992 CB LYS A 74 10.232 -4.627 8.282 1.00 0.00 C ATOM 993 CG LYS A 74 11.030 -3.412 8.731 1.00 0.00 C ATOM 994 CD LYS A 74 12.239 -3.814 9.563 1.00 0.00 C ATOM 995 CE LYS A 74 11.993 -3.590 11.047 1.00 0.00 C ATOM 996 NZ LYS A 74 13.217 -3.839 11.860 1.00 0.00 N ATOM 0 H LYS A 74 7.868 -4.616 9.050 1.00 0.00 H new ATOM 0 HA LYS A 74 9.223 -3.296 6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.848 -5.144 9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.900 -5.321 7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.359 -2.849 7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.390 -2.750 9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.471 -4.864 9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.108 -3.238 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.653 -2.567 11.208 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.193 -4.249 11.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.006 -3.675 12.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.528 -4.823 11.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.973 -3.193 11.556 1.00 0.00 H new ATOM 1010 N GLU A 75 8.430 -6.478 6.501 1.00 0.00 N ATOM 1011 CA GLU A 75 8.300 -7.533 5.498 1.00 0.00 C ATOM 1012 C GLU A 75 7.405 -7.084 4.344 1.00 0.00 C ATOM 1013 O GLU A 75 7.670 -7.402 3.184 1.00 0.00 O ATOM 1014 CB GLU A 75 7.734 -8.807 6.129 1.00 0.00 C ATOM 1015 CG GLU A 75 8.625 -10.025 5.949 1.00 0.00 C ATOM 1016 CD GLU A 75 8.083 -10.992 4.914 1.00 0.00 C ATOM 1017 OE1 GLU A 75 7.074 -11.667 5.204 1.00 0.00 O ATOM 1018 OE2 GLU A 75 8.667 -11.071 3.812 1.00 0.00 O ATOM 0 H GLU A 75 8.058 -6.722 7.419 1.00 0.00 H new ATOM 0 HA GLU A 75 9.294 -7.743 5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.578 -8.636 7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.757 -9.015 5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.622 -9.701 5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.728 -10.540 6.904 1.00 0.00 H new ATOM 1025 N ALA A 76 6.346 -6.341 4.670 1.00 0.00 N ATOM 1026 CA ALA A 76 5.412 -5.846 3.662 1.00 0.00 C ATOM 1027 C ALA A 76 6.096 -4.881 2.694 1.00 0.00 C ATOM 1028 O ALA A 76 5.720 -4.806 1.524 1.00 0.00 O ATOM 1029 CB ALA A 76 4.224 -5.165 4.327 1.00 0.00 C ATOM 0 H ALA A 76 6.115 -6.070 5.626 1.00 0.00 H new ATOM 0 HA ALA A 76 5.057 -6.703 3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.538 -4.802 3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.708 -5.879 4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.575 -4.326 4.927 1.00 0.00 H new ATOM 1035 N VAL A 77 7.105 -4.153 3.183 1.00 0.00 N ATOM 1036 CA VAL A 77 7.840 -3.203 2.348 1.00 0.00 C ATOM 1037 C VAL A 77 8.535 -3.925 1.194 1.00 0.00 C ATOM 1038 O VAL A 77 8.530 -3.448 0.059 1.00 0.00 O ATOM 1039 CB VAL A 77 8.895 -2.414 3.156 1.00 0.00 C ATOM 1040 CG1 VAL A 77 9.510 -1.316 2.299 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.279 -1.830 4.421 1.00 0.00 C ATOM 0 H VAL A 77 7.429 -4.204 4.149 1.00 0.00 H new ATOM 0 HA VAL A 77 7.107 -2.497 1.957 1.00 0.00 H new ATOM 0 HB VAL A 77 9.687 -3.102 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.251 -0.770 2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.991 -1.761 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.729 -0.630 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.039 -1.279 4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.466 -1.156 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.891 -2.637 5.043 1.00 0.00 H new ATOM 1051 N THR A 78 9.117 -5.085 1.491 1.00 0.00 N ATOM 1052 CA THR A 78 9.800 -5.880 0.477 1.00 0.00 C ATOM 1053 C THR A 78 8.790 -6.478 -0.505 1.00 0.00 C ATOM 1054 O THR A 78 9.036 -6.521 -1.710 1.00 0.00 O ATOM 1055 CB THR A 78 10.625 -6.993 1.137 1.00 0.00 C ATOM 1056 OG1 THR A 78 11.426 -6.475 2.189 1.00 0.00 O ATOM 1057 CG2 THR A 78 11.544 -7.717 0.175 1.00 0.00 C ATOM 0 H THR A 78 9.128 -5.494 2.425 1.00 0.00 H new ATOM 0 HA THR A 78 10.475 -5.227 -0.076 1.00 0.00 H new ATOM 0 HB THR A 78 9.890 -7.704 1.514 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.942 -7.202 2.596 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.096 -8.490 0.711 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.953 -8.176 -0.617 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.246 -7.007 -0.262 1.00 0.00 H new ATOM 1065 N ILE A 79 7.649 -6.934 0.018 1.00 0.00 N ATOM 1066 CA ILE A 79 6.606 -7.523 -0.821 1.00 0.00 C ATOM 1067 C ILE A 79 6.017 -6.488 -1.776 1.00 0.00 C ATOM 1068 O ILE A 79 5.904 -6.747 -2.972 1.00 0.00 O ATOM 1069 CB ILE A 79 5.462 -8.146 0.017 1.00 0.00 C ATOM 1070 CG1 ILE A 79 6.021 -9.123 1.057 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.463 -8.853 -0.893 1.00 0.00 C ATOM 1072 CD1 ILE A 79 5.130 -9.287 2.270 1.00 0.00 C ATOM 0 H ILE A 79 7.426 -6.906 1.013 1.00 0.00 H new ATOM 0 HA ILE A 79 7.087 -8.317 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 79 4.947 -7.343 0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.167 -10.096 0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.002 -8.775 1.381 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.665 -9.286 -0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.039 -8.135 -1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.970 -9.644 -1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.587 -9.992 2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.004 -8.323 2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.156 -9.664 1.958 1.00 0.00 H new ATOM 1084 N LEU A 80 5.648 -5.318 -1.252 1.00 0.00 N ATOM 1085 CA LEU A 80 5.075 -4.263 -2.090 1.00 0.00 C ATOM 1086 C LEU A 80 6.078 -3.791 -3.144 1.00 0.00 C ATOM 1087 O LEU A 80 5.699 -3.485 -4.276 1.00 0.00 O ATOM 1088 CB LEU A 80 4.583 -3.078 -1.242 1.00 0.00 C ATOM 1089 CG LEU A 80 5.628 -2.406 -0.343 1.00 0.00 C ATOM 1090 CD1 LEU A 80 6.440 -1.382 -1.124 1.00 0.00 C ATOM 1091 CD2 LEU A 80 4.950 -1.749 0.851 1.00 0.00 C ATOM 0 H LEU A 80 5.734 -5.078 -0.264 1.00 0.00 H new ATOM 0 HA LEU A 80 4.213 -4.688 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.173 -2.323 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.763 -3.424 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 80 6.312 -3.173 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.174 -0.920 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.954 -1.877 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.774 -0.615 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.702 -1.275 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.245 -0.996 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.417 -2.505 1.428 1.00 0.00 H new ATOM 1103 N SER A 81 7.359 -3.741 -2.769 1.00 0.00 N ATOM 1104 CA SER A 81 8.413 -3.312 -3.688 1.00 0.00 C ATOM 1105 C SER A 81 8.740 -4.388 -4.732 1.00 0.00 C ATOM 1106 O SER A 81 9.371 -4.093 -5.747 1.00 0.00 O ATOM 1107 CB SER A 81 9.678 -2.931 -2.914 1.00 0.00 C ATOM 1108 OG SER A 81 10.271 -4.064 -2.304 1.00 0.00 O ATOM 0 H SER A 81 7.689 -3.992 -1.837 1.00 0.00 H new ATOM 0 HA SER A 81 8.039 -2.437 -4.220 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.394 -2.464 -3.591 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.431 -2.192 -2.151 1.00 0.00 H new ATOM 0 HG SER A 81 9.622 -4.798 -2.277 1.00 0.00 H new ATOM 1114 N GLN A 82 8.307 -5.632 -4.489 1.00 0.00 N ATOM 1115 CA GLN A 82 8.561 -6.727 -5.426 1.00 0.00 C ATOM 1116 C GLN A 82 7.721 -6.566 -6.691 1.00 0.00 C ATOM 1117 O GLN A 82 8.130 -6.981 -7.776 1.00 0.00 O ATOM 1118 CB GLN A 82 8.262 -8.080 -4.773 1.00 0.00 C ATOM 1119 CG GLN A 82 9.307 -8.508 -3.757 1.00 0.00 C ATOM 1120 CD GLN A 82 10.119 -9.705 -4.215 1.00 0.00 C ATOM 1121 OE1 GLN A 82 9.596 -10.623 -4.847 1.00 0.00 O ATOM 1122 NE2 GLN A 82 11.408 -9.702 -3.896 1.00 0.00 N ATOM 0 H GLN A 82 7.783 -5.901 -3.656 1.00 0.00 H new ATOM 0 HA GLN A 82 9.616 -6.693 -5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.290 -8.031 -4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.189 -8.841 -5.550 1.00 0.00 H new ATOM 0 HG2 GLN A 82 9.979 -7.673 -3.561 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.814 -8.749 -2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.802 -8.921 -3.371 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.004 -10.481 -4.176 1.00 0.00 H new ATOM 1131 N GLN A 83 6.546 -5.961 -6.539 1.00 0.00 N ATOM 1132 CA GLN A 83 5.640 -5.738 -7.658 1.00 0.00 C ATOM 1133 C GLN A 83 6.230 -4.729 -8.643 1.00 0.00 C ATOM 1134 O GLN A 83 6.462 -3.570 -8.295 1.00 0.00 O ATOM 1135 CB GLN A 83 4.290 -5.251 -7.134 1.00 0.00 C ATOM 1136 CG GLN A 83 3.426 -6.363 -6.557 1.00 0.00 C ATOM 1137 CD GLN A 83 3.894 -6.829 -5.191 1.00 0.00 C ATOM 1138 OE1 GLN A 83 3.495 -6.276 -4.167 1.00 0.00 O ATOM 1139 NE2 GLN A 83 4.745 -7.850 -5.165 1.00 0.00 N ATOM 0 H GLN A 83 6.199 -5.615 -5.645 1.00 0.00 H new ATOM 0 HA GLN A 83 5.498 -6.679 -8.190 1.00 0.00 H new ATOM 0 HB2 GLN A 83 4.458 -4.496 -6.366 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.748 -4.765 -7.945 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.396 -6.014 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.427 -7.210 -7.244 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.051 -8.281 -6.037 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.091 -8.203 -4.273 1.00 0.00 H new ATOM 1148 N ARG A 84 6.480 -5.187 -9.870 1.00 0.00 N ATOM 1149 CA ARG A 84 7.057 -4.339 -10.912 1.00 0.00 C ATOM 1150 C ARG A 84 6.020 -3.973 -11.972 1.00 0.00 C ATOM 1151 O ARG A 84 5.124 -4.763 -12.276 1.00 0.00 O ATOM 1152 CB ARG A 84 8.236 -5.053 -11.574 1.00 0.00 C ATOM 1153 CG ARG A 84 9.569 -4.805 -10.884 1.00 0.00 C ATOM 1154 CD ARG A 84 10.737 -5.312 -11.718 1.00 0.00 C ATOM 1155 NE ARG A 84 10.940 -4.516 -12.930 1.00 0.00 N ATOM 1156 CZ ARG A 84 11.791 -4.844 -13.906 1.00 0.00 C ATOM 1157 NH1 ARG A 84 12.528 -5.948 -13.817 1.00 0.00 N ATOM 1158 NH2 ARG A 84 11.906 -4.065 -14.976 1.00 0.00 N ATOM 0 H ARG A 84 6.291 -6.144 -10.167 1.00 0.00 H new ATOM 0 HA ARG A 84 7.402 -3.419 -10.440 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.038 -6.125 -11.588 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.309 -4.729 -12.612 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.690 -3.738 -10.699 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.574 -5.299 -9.913 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.646 -5.292 -11.116 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.560 -6.351 -11.994 1.00 0.00 H new ATOM 0 HE ARG A 84 10.398 -3.658 -13.036 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.446 -6.552 -12.999 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.175 -6.191 -14.567 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.345 -3.217 -15.052 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.556 -4.315 -15.721 1.00 0.00 H new ATOM 1172 N GLY A 85 6.160 -2.770 -12.534 1.00 0.00 N ATOM 1173 CA GLY A 85 5.241 -2.306 -13.561 1.00 0.00 C ATOM 1174 C GLY A 85 3.816 -2.196 -13.059 1.00 0.00 C ATOM 1175 O GLY A 85 3.454 -1.210 -12.413 1.00 0.00 O ATOM 0 H GLY A 85 6.898 -2.108 -12.293 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.570 -1.333 -13.926 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.272 -2.991 -14.408 1.00 0.00 H new ATOM 1179 N GLU A 86 3.009 -3.216 -13.346 1.00 0.00 N ATOM 1180 CA GLU A 86 1.618 -3.238 -12.912 1.00 0.00 C ATOM 1181 C GLU A 86 1.521 -3.727 -11.471 1.00 0.00 C ATOM 1182 O GLU A 86 1.848 -4.878 -11.173 1.00 0.00 O ATOM 1183 CB GLU A 86 0.784 -4.137 -13.830 1.00 0.00 C ATOM 1184 CG GLU A 86 -0.713 -3.878 -13.746 1.00 0.00 C ATOM 1185 CD GLU A 86 -1.530 -4.961 -14.423 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -1.826 -5.981 -13.765 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -1.871 -4.792 -15.613 1.00 0.00 O ATOM 0 H GLU A 86 3.297 -4.037 -13.878 1.00 0.00 H new ATOM 0 HA GLU A 86 1.224 -2.223 -12.967 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.111 -3.993 -14.860 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.978 -5.179 -13.577 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.008 -3.807 -12.699 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.938 -2.916 -14.207 1.00 0.00 H new ATOM 1194 N ILE A 87 1.076 -2.846 -10.579 1.00 0.00 N ATOM 1195 CA ILE A 87 0.942 -3.190 -9.168 1.00 0.00 C ATOM 1196 C ILE A 87 -0.505 -3.050 -8.707 1.00 0.00 C ATOM 1197 O ILE A 87 -1.097 -1.975 -8.808 1.00 0.00 O ATOM 1198 CB ILE A 87 1.841 -2.302 -8.279 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.247 -2.182 -8.879 1.00 0.00 C ATOM 1200 CG2 ILE A 87 1.908 -2.861 -6.863 1.00 0.00 C ATOM 1201 CD1 ILE A 87 4.174 -1.293 -8.077 1.00 0.00 C ATOM 0 H ILE A 87 0.803 -1.890 -10.808 1.00 0.00 H new ATOM 0 HA ILE A 87 1.258 -4.228 -9.065 1.00 0.00 H new ATOM 0 HB ILE A 87 1.403 -1.305 -8.236 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.687 -3.177 -8.955 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.168 -1.790 -9.893 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.545 -2.224 -6.250 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.906 -2.890 -6.436 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.321 -3.869 -6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.150 -1.255 -8.560 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.757 -0.288 -8.022 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.283 -1.696 -7.070 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.063 -4.142 -8.193 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.437 -4.143 -7.704 1.00 0.00 C ATOM 1215 C GLU A 88 -2.459 -4.023 -6.186 1.00 0.00 C ATOM 1216 O GLU A 88 -1.867 -4.843 -5.484 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.160 -5.422 -8.136 1.00 0.00 C ATOM 1218 CG GLU A 88 -4.526 -5.172 -8.757 1.00 0.00 C ATOM 1219 CD GLU A 88 -5.584 -6.136 -8.253 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -5.427 -7.357 -8.466 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -6.570 -5.670 -7.643 1.00 0.00 O ATOM 0 H GLU A 88 -0.584 -5.038 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.954 -3.285 -8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.537 -5.956 -8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.278 -6.072 -7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.838 -4.151 -8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.449 -5.258 -9.841 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.142 -3.000 -5.681 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.235 -2.787 -4.243 1.00 0.00 C ATOM 1230 C PHE A 89 -4.691 -2.758 -3.795 1.00 0.00 C ATOM 1231 O PHE A 89 -5.511 -2.029 -4.358 1.00 0.00 O ATOM 1232 CB PHE A 89 -2.540 -1.479 -3.852 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.257 -1.680 -3.093 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -0.130 -2.177 -3.729 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -1.179 -1.368 -1.745 1.00 0.00 C ATOM 1236 CE1 PHE A 89 1.050 -2.360 -3.034 1.00 0.00 C ATOM 1237 CE2 PHE A 89 0.000 -1.548 -1.046 1.00 0.00 C ATOM 1238 CZ PHE A 89 1.115 -2.044 -1.691 1.00 0.00 C ATOM 0 H PHE A 89 -3.637 -2.309 -6.245 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.735 -3.617 -3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.332 -0.905 -4.755 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.221 -0.883 -3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.175 -2.424 -4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.049 -0.980 -1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.921 -2.750 -3.540 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.049 -1.301 0.004 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.037 -2.185 -1.146 1.00 0.00 H new ATOM 1248 N GLU A 90 -5.004 -3.546 -2.770 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.356 -3.604 -2.234 1.00 0.00 C ATOM 1250 C GLU A 90 -6.384 -2.999 -0.836 1.00 0.00 C ATOM 1251 O GLU A 90 -5.757 -3.523 0.091 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.857 -5.051 -2.207 1.00 0.00 C ATOM 1253 CG GLU A 90 -7.275 -5.573 -3.575 1.00 0.00 C ATOM 1254 CD GLU A 90 -6.965 -7.046 -3.762 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -7.497 -7.869 -2.985 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -6.193 -7.378 -4.686 1.00 0.00 O ATOM 0 H GLU A 90 -4.336 -4.153 -2.295 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.019 -3.027 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.072 -5.692 -1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.705 -5.121 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.345 -5.412 -3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.766 -4.998 -4.349 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.102 -1.885 -0.697 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.202 -1.186 0.581 1.00 0.00 C ATOM 1265 C VAL A 91 -8.645 -0.787 0.892 1.00 0.00 C ATOM 1266 O VAL A 91 -9.524 -0.875 0.032 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.317 0.082 0.594 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -4.840 -0.286 0.556 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.672 0.996 -0.569 1.00 0.00 C ATOM 0 H VAL A 91 -7.624 -1.447 -1.456 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.853 -1.880 1.346 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.508 0.619 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.238 0.623 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.594 -0.894 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.629 -0.851 -0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.038 1.882 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.515 0.467 -1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.717 1.295 -0.491 1.00 0.00 H new ATOM 1279 N VAL A 92 -8.875 -0.344 2.128 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.203 0.077 2.565 1.00 0.00 C ATOM 1281 C VAL A 92 -10.119 1.324 3.446 1.00 0.00 C ATOM 1282 O VAL A 92 -9.204 1.454 4.263 1.00 0.00 O ATOM 1283 CB VAL A 92 -10.927 -1.049 3.340 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -11.289 -2.194 2.405 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -10.074 -1.552 4.497 1.00 0.00 C ATOM 0 H VAL A 92 -8.154 -0.268 2.846 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.776 0.309 1.667 1.00 0.00 H new ATOM 0 HB VAL A 92 -11.847 -0.636 3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.797 -2.977 2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.948 -1.827 1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.381 -2.600 1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.607 -2.343 5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.132 -1.943 4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.871 -0.730 5.184 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.076 2.239 3.275 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.105 3.476 4.058 1.00 0.00 C ATOM 1297 C TYR A 93 -11.373 3.179 5.534 1.00 0.00 C ATOM 1298 O TYR A 93 -12.438 2.669 5.890 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.172 4.434 3.510 1.00 0.00 C ATOM 1300 CG TYR A 93 -11.811 5.900 3.642 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.232 6.396 4.807 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -12.047 6.788 2.600 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -10.902 7.732 4.926 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -11.719 8.125 2.713 1.00 0.00 C ATOM 1305 CZ TYR A 93 -11.146 8.592 3.877 1.00 0.00 C ATOM 1306 OH TYR A 93 -10.816 9.924 3.991 1.00 0.00 O ATOM 0 H TYR A 93 -11.838 2.147 2.604 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.128 3.953 3.974 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.344 4.206 2.458 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.111 4.253 4.033 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.038 5.725 5.631 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.495 6.427 1.686 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.455 8.101 5.837 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.910 8.802 1.893 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.052 10.392 3.163 1.00 0.00 H new ATOM 1316 N VAL A 94 -10.398 3.496 6.386 1.00 0.00 N ATOM 1317 CA VAL A 94 -10.524 3.258 7.820 1.00 0.00 C ATOM 1318 C VAL A 94 -10.782 4.558 8.584 1.00 0.00 C ATOM 1319 O VAL A 94 -10.194 5.598 8.280 1.00 0.00 O ATOM 1320 CB VAL A 94 -9.263 2.564 8.384 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -8.020 3.426 8.187 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -9.453 2.214 9.853 1.00 0.00 C ATOM 0 H VAL A 94 -9.513 3.918 6.106 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.381 2.599 7.959 1.00 0.00 H new ATOM 0 HB VAL A 94 -9.115 1.638 7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.151 2.910 8.594 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -7.868 3.608 7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.151 4.377 8.703 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.554 1.726 10.230 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.638 3.124 10.423 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.303 1.540 9.959 1.00 0.00 H new ATOM 1332 N ALA A 95 -11.669 4.486 9.576 1.00 0.00 N ATOM 1333 CA ALA A 95 -12.016 5.648 10.391 1.00 0.00 C ATOM 1334 C ALA A 95 -12.812 5.234 11.626 1.00 0.00 C ATOM 1335 O ALA A 95 -12.435 5.658 12.739 1.00 0.00 O ATOM 1336 CB ALA A 95 -12.803 6.658 9.567 1.00 0.00 C ATOM 0 H ALA A 95 -12.162 3.631 9.835 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.090 6.114 10.726 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.054 7.518 10.188 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -12.200 6.986 8.720 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.719 6.194 9.202 1.00 0.00 H new TER 1342 ALA A 95