USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 648 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 15 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 89 HIS : no HE2:sc= -2.77! C(o=-2.8!,f=-4.6!) USER MOD Set 2.1: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 93 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.9) USER MOD Set 3.1: A 35 LYS NZ :NH3+ 174:sc= 1.29 (180deg=0) USER MOD Set 3.2: A 67 ASN : amide:sc= -0.0847 K(o=1.2,f=-12!) USER MOD Single : A 7 GLN : amide:sc= -2.37 K(o=-2.4,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.04) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 0.886 (180deg=0.825) USER MOD Single : A 29 THR OG1 : rot -130:sc= -1.76! USER MOD Single : A 30 THR OG1 : rot -160:sc= 0.0801 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 71:sc= 1.13 USER MOD Single : A 40 SER OG : rot 86:sc= 1.3 USER MOD Single : A 46 LYS NZ :NH3+ -167:sc=-0.00857 (180deg=-0.193) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 2.1 (180deg=1.87) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 41:sc=-0.00619 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 72 LYS NZ :NH3+ 150:sc= 1.25 (180deg=0.637) USER MOD Single : A 74 TYR OH : rot -157:sc= -0.975! USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -121:sc= -2.6 (180deg=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 89 N GLN A 7 12.762 -4.826 0.445 1.00 0.00 N ATOM 90 CA GLN A 7 12.888 -4.896 1.864 1.00 0.00 C ATOM 91 C GLN A 7 13.806 -6.045 2.202 1.00 0.00 C ATOM 92 O GLN A 7 14.005 -6.948 1.386 1.00 0.00 O ATOM 93 CB GLN A 7 11.524 -5.149 2.481 1.00 0.00 C ATOM 94 CG GLN A 7 10.478 -4.079 2.185 1.00 0.00 C ATOM 95 CD GLN A 7 9.103 -4.454 2.715 1.00 0.00 C ATOM 96 OE1 GLN A 7 8.306 -5.075 2.021 1.00 0.00 O ATOM 97 NE2 GLN A 7 8.818 -4.091 3.931 1.00 0.00 N ATOM 0 HA GLN A 7 13.291 -3.960 2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.152 -6.109 2.124 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.640 -5.234 3.561 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.791 -3.135 2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 7 10.419 -3.920 1.108 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.503 -3.575 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.909 -4.322 4.333 1.00 0.00 H new ATOM 106 N LEU A 8 14.350 -6.032 3.366 1.00 0.00 N ATOM 107 CA LEU A 8 15.236 -7.091 3.781 1.00 0.00 C ATOM 108 C LEU A 8 14.469 -8.074 4.611 1.00 0.00 C ATOM 109 O LEU A 8 13.838 -7.712 5.586 1.00 0.00 O ATOM 110 CB LEU A 8 16.435 -6.561 4.568 1.00 0.00 C ATOM 111 CG LEU A 8 17.491 -5.709 3.813 1.00 0.00 C ATOM 112 CD1 LEU A 8 16.903 -4.448 3.200 1.00 0.00 C ATOM 113 CD2 LEU A 8 18.627 -5.349 4.746 1.00 0.00 C ATOM 0 H LEU A 8 14.204 -5.300 4.061 1.00 0.00 H new ATOM 0 HA LEU A 8 15.628 -7.577 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 8 16.052 -5.961 5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 8 16.949 -7.416 5.007 1.00 0.00 H new ATOM 0 HG LEU A 8 17.863 -6.319 2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 8 17.688 -3.893 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.124 -4.719 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.475 -3.826 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 8 19.364 -4.751 4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 8 18.239 -4.776 5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 8 19.098 -6.260 5.114 1.00 0.00 H new ATOM 125 N GLU A 9 14.515 -9.297 4.234 1.00 0.00 N ATOM 126 CA GLU A 9 13.757 -10.294 4.917 1.00 0.00 C ATOM 127 C GLU A 9 14.562 -10.923 6.016 1.00 0.00 C ATOM 128 O GLU A 9 15.688 -11.399 5.804 1.00 0.00 O ATOM 129 CB GLU A 9 13.228 -11.335 3.964 1.00 0.00 C ATOM 130 CG GLU A 9 12.379 -10.746 2.842 1.00 0.00 C ATOM 131 CD GLU A 9 11.992 -11.752 1.804 1.00 0.00 C ATOM 132 OE1 GLU A 9 12.800 -12.005 0.885 1.00 0.00 O ATOM 133 OE2 GLU A 9 10.874 -12.300 1.869 1.00 0.00 O ATOM 0 H GLU A 9 15.072 -9.640 3.451 1.00 0.00 H new ATOM 0 HA GLU A 9 12.897 -9.801 5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.066 -11.880 3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.632 -12.058 4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.476 -10.309 3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.930 -9.936 2.365 1.00 0.00 H new ATOM 140 N ILE A 10 13.987 -10.913 7.175 1.00 0.00 N ATOM 141 CA ILE A 10 14.604 -11.423 8.370 1.00 0.00 C ATOM 142 C ILE A 10 13.709 -12.491 8.966 1.00 0.00 C ATOM 143 O ILE A 10 12.476 -12.377 8.908 1.00 0.00 O ATOM 144 CB ILE A 10 14.787 -10.283 9.434 1.00 0.00 C ATOM 145 CG1 ILE A 10 15.629 -9.123 8.864 1.00 0.00 C ATOM 146 CG2 ILE A 10 15.415 -10.821 10.718 1.00 0.00 C ATOM 147 CD1 ILE A 10 15.803 -7.951 9.814 1.00 0.00 C ATOM 0 H ILE A 10 13.050 -10.541 7.327 1.00 0.00 H new ATOM 0 HA ILE A 10 15.581 -11.830 8.110 1.00 0.00 H new ATOM 0 HB ILE A 10 13.797 -9.898 9.677 1.00 0.00 H new ATOM 0 HG12 ILE A 10 16.613 -9.504 8.591 1.00 0.00 H new ATOM 0 HG13 ILE A 10 15.160 -8.766 7.947 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.529 -10.008 11.435 1.00 0.00 H new ATOM 0 HG22 ILE A 10 14.772 -11.592 11.142 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.393 -11.247 10.494 1.00 0.00 H new ATOM 0 HD11 ILE A 10 16.407 -7.181 9.335 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.826 -7.540 10.068 1.00 0.00 H new ATOM 0 HD13 ILE A 10 16.301 -8.290 10.722 1.00 0.00 H new ATOM 159 N LYS A 11 14.306 -13.528 9.488 1.00 0.00 N ATOM 160 CA LYS A 11 13.560 -14.511 10.216 1.00 0.00 C ATOM 161 C LYS A 11 14.195 -14.707 11.570 1.00 0.00 C ATOM 162 O LYS A 11 15.407 -14.484 11.741 1.00 0.00 O ATOM 163 CB LYS A 11 13.400 -15.852 9.486 1.00 0.00 C ATOM 164 CG LYS A 11 14.639 -16.703 9.299 1.00 0.00 C ATOM 165 CD LYS A 11 14.223 -18.035 8.696 1.00 0.00 C ATOM 166 CE LYS A 11 15.366 -19.017 8.575 1.00 0.00 C ATOM 167 NZ LYS A 11 14.885 -20.320 8.052 1.00 0.00 N ATOM 0 H LYS A 11 15.307 -13.712 9.421 1.00 0.00 H new ATOM 0 HA LYS A 11 12.545 -14.126 10.320 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.665 -16.445 10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.980 -15.650 8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.351 -16.198 8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.139 -16.860 10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.438 -18.475 9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.795 -17.862 7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.130 -18.613 7.911 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.833 -19.161 9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.589 -21.058 8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.983 -20.566 8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.746 -20.251 7.024 1.00 0.00 H new ATOM 181 N PHE A 12 13.407 -15.117 12.515 1.00 0.00 N ATOM 182 CA PHE A 12 13.864 -15.261 13.873 1.00 0.00 C ATOM 183 C PHE A 12 14.130 -16.721 14.158 1.00 0.00 C ATOM 184 O PHE A 12 13.232 -17.552 14.005 1.00 0.00 O ATOM 185 CB PHE A 12 12.787 -14.738 14.830 1.00 0.00 C ATOM 186 CG PHE A 12 12.339 -13.328 14.541 1.00 0.00 C ATOM 187 CD1 PHE A 12 13.093 -12.244 14.955 1.00 0.00 C ATOM 188 CD2 PHE A 12 11.153 -13.093 13.854 1.00 0.00 C ATOM 189 CE1 PHE A 12 12.674 -10.953 14.693 1.00 0.00 C ATOM 190 CE2 PHE A 12 10.731 -11.807 13.589 1.00 0.00 C ATOM 191 CZ PHE A 12 11.491 -10.736 14.008 1.00 0.00 C ATOM 0 H PHE A 12 12.427 -15.363 12.372 1.00 0.00 H new ATOM 0 HA PHE A 12 14.782 -14.690 14.014 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.922 -15.400 14.783 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.169 -14.785 15.850 1.00 0.00 H new ATOM 0 HD1 PHE A 12 14.018 -12.408 15.488 1.00 0.00 H new ATOM 0 HD2 PHE A 12 10.554 -13.929 13.523 1.00 0.00 H new ATOM 0 HE1 PHE A 12 13.269 -10.114 15.023 1.00 0.00 H new ATOM 0 HE2 PHE A 12 9.808 -11.639 13.055 1.00 0.00 H new ATOM 0 HZ PHE A 12 11.163 -9.728 13.802 1.00 0.00 H new ATOM 201 N ARG A 13 15.343 -17.049 14.539 1.00 0.00 N ATOM 202 CA ARG A 13 15.669 -18.416 14.848 1.00 0.00 C ATOM 203 C ARG A 13 16.146 -18.530 16.278 1.00 0.00 C ATOM 204 O ARG A 13 17.128 -17.904 16.662 1.00 0.00 O ATOM 205 CB ARG A 13 16.716 -18.973 13.880 1.00 0.00 C ATOM 206 CG ARG A 13 16.956 -20.468 14.034 1.00 0.00 C ATOM 207 CD ARG A 13 17.957 -20.988 13.021 1.00 0.00 C ATOM 208 NE ARG A 13 18.023 -22.456 13.036 1.00 0.00 N ATOM 209 CZ ARG A 13 19.110 -23.188 12.784 1.00 0.00 C ATOM 210 NH1 ARG A 13 20.271 -22.606 12.547 1.00 0.00 N ATOM 211 NH2 ARG A 13 19.027 -24.516 12.776 1.00 0.00 N ATOM 0 H ARG A 13 16.115 -16.390 14.641 1.00 0.00 H new ATOM 0 HA ARG A 13 14.765 -19.014 14.732 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.398 -18.768 12.858 1.00 0.00 H new ATOM 0 HB3 ARG A 13 17.657 -18.445 14.033 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.318 -20.676 15.041 1.00 0.00 H new ATOM 0 HG3 ARG A 13 16.012 -21.001 13.918 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.680 -20.645 12.024 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.943 -20.576 13.237 1.00 0.00 H new ATOM 0 HE ARG A 13 17.164 -22.959 13.258 1.00 0.00 H new ATOM 0 HH11 ARG A 13 20.343 -21.589 12.556 1.00 0.00 H new ATOM 0 HH12 ARG A 13 21.096 -23.174 12.355 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.134 -24.972 12.962 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.856 -25.078 12.584 1.00 0.00 H new ATOM 225 N LEU A 14 15.444 -19.328 17.050 1.00 0.00 N ATOM 226 CA LEU A 14 15.754 -19.574 18.450 1.00 0.00 C ATOM 227 C LEU A 14 17.115 -20.234 18.587 1.00 0.00 C ATOM 228 O LEU A 14 17.649 -20.793 17.619 1.00 0.00 O ATOM 229 CB LEU A 14 14.695 -20.495 19.066 1.00 0.00 C ATOM 230 CG LEU A 14 13.258 -19.977 19.121 1.00 0.00 C ATOM 231 CD1 LEU A 14 12.360 -21.020 19.746 1.00 0.00 C ATOM 232 CD2 LEU A 14 13.186 -18.669 19.905 1.00 0.00 C ATOM 0 H LEU A 14 14.624 -19.837 16.721 1.00 0.00 H new ATOM 0 HA LEU A 14 15.763 -18.616 18.970 1.00 0.00 H new ATOM 0 HB2 LEU A 14 14.695 -21.430 18.506 1.00 0.00 H new ATOM 0 HB3 LEU A 14 15.006 -20.733 20.083 1.00 0.00 H new ATOM 0 HG LEU A 14 12.917 -19.781 18.105 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.337 -20.645 19.782 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.391 -21.932 19.149 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.703 -21.237 20.758 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.155 -18.317 19.932 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.540 -18.835 20.923 1.00 0.00 H new ATOM 0 HD23 LEU A 14 13.812 -17.920 19.421 1.00 0.00 H new ATOM 244 N THR A 15 17.653 -20.222 19.792 1.00 0.00 N ATOM 245 CA THR A 15 18.958 -20.800 20.051 1.00 0.00 C ATOM 246 C THR A 15 18.863 -22.322 19.987 1.00 0.00 C ATOM 247 O THR A 15 19.854 -23.031 19.878 1.00 0.00 O ATOM 248 CB THR A 15 19.529 -20.328 21.420 1.00 0.00 C ATOM 249 OG1 THR A 15 20.931 -20.609 21.492 1.00 0.00 O ATOM 250 CG2 THR A 15 18.834 -21.012 22.593 1.00 0.00 C ATOM 0 H THR A 15 17.203 -19.815 20.612 1.00 0.00 H new ATOM 0 HA THR A 15 19.651 -20.456 19.283 1.00 0.00 H new ATOM 0 HB THR A 15 19.351 -19.255 21.488 1.00 0.00 H new ATOM 0 HG1 THR A 15 21.281 -20.307 22.356 1.00 0.00 H new ATOM 0 HG21 THR A 15 19.263 -20.654 23.529 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.769 -20.781 22.570 1.00 0.00 H new ATOM 0 HG23 THR A 15 18.973 -22.091 22.519 1.00 0.00 H new ATOM 258 N ASP A 16 17.638 -22.791 20.024 1.00 0.00 N ATOM 259 CA ASP A 16 17.329 -24.208 19.918 1.00 0.00 C ATOM 260 C ASP A 16 17.389 -24.639 18.457 1.00 0.00 C ATOM 261 O ASP A 16 17.340 -25.825 18.142 1.00 0.00 O ATOM 262 CB ASP A 16 15.913 -24.479 20.444 1.00 0.00 C ATOM 263 CG ASP A 16 15.709 -24.028 21.864 1.00 0.00 C ATOM 264 OD1 ASP A 16 15.352 -22.850 22.079 1.00 0.00 O ATOM 265 OD2 ASP A 16 15.883 -24.836 22.780 1.00 0.00 O ATOM 0 H ASP A 16 16.815 -22.198 20.130 1.00 0.00 H new ATOM 0 HA ASP A 16 18.057 -24.767 20.507 1.00 0.00 H new ATOM 0 HB2 ASP A 16 15.192 -23.973 19.802 1.00 0.00 H new ATOM 0 HB3 ASP A 16 15.706 -25.547 20.376 1.00 0.00 H new ATOM 270 N GLY A 17 17.512 -23.667 17.571 1.00 0.00 N ATOM 271 CA GLY A 17 17.584 -23.934 16.155 1.00 0.00 C ATOM 272 C GLY A 17 16.224 -23.892 15.477 1.00 0.00 C ATOM 273 O GLY A 17 16.122 -24.116 14.279 1.00 0.00 O ATOM 0 H GLY A 17 17.564 -22.678 17.816 1.00 0.00 H new ATOM 0 HA2 GLY A 17 18.242 -23.203 15.685 1.00 0.00 H new ATOM 0 HA3 GLY A 17 18.033 -24.915 15.997 1.00 0.00 H new ATOM 277 N SER A 18 15.200 -23.567 16.229 1.00 0.00 N ATOM 278 CA SER A 18 13.844 -23.502 15.701 1.00 0.00 C ATOM 279 C SER A 18 13.585 -22.091 15.159 1.00 0.00 C ATOM 280 O SER A 18 13.824 -21.112 15.862 1.00 0.00 O ATOM 281 CB SER A 18 12.887 -23.805 16.837 1.00 0.00 C ATOM 282 OG SER A 18 13.275 -25.002 17.506 1.00 0.00 O ATOM 0 H SER A 18 15.274 -23.340 17.221 1.00 0.00 H new ATOM 0 HA SER A 18 13.705 -24.221 14.894 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.875 -22.974 17.542 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.874 -23.909 16.450 1.00 0.00 H new ATOM 0 HG SER A 18 12.650 -25.185 18.238 1.00 0.00 H new ATOM 288 N ASP A 19 13.117 -21.977 13.934 1.00 0.00 N ATOM 289 CA ASP A 19 12.930 -20.684 13.339 1.00 0.00 C ATOM 290 C ASP A 19 11.487 -20.396 12.975 1.00 0.00 C ATOM 291 O ASP A 19 10.653 -21.305 12.835 1.00 0.00 O ATOM 292 CB ASP A 19 13.828 -20.505 12.111 1.00 0.00 C ATOM 293 CG ASP A 19 13.510 -21.426 10.955 1.00 0.00 C ATOM 294 OD1 ASP A 19 13.786 -22.635 11.043 1.00 0.00 O ATOM 295 OD2 ASP A 19 13.010 -20.949 9.927 1.00 0.00 O ATOM 0 H ASP A 19 12.862 -22.765 13.338 1.00 0.00 H new ATOM 0 HA ASP A 19 13.217 -19.961 14.103 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.749 -19.473 11.768 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.864 -20.664 12.410 1.00 0.00 H new ATOM 300 N ILE A 20 11.210 -19.124 12.862 1.00 0.00 N ATOM 301 CA ILE A 20 9.928 -18.588 12.460 1.00 0.00 C ATOM 302 C ILE A 20 10.098 -18.041 11.046 1.00 0.00 C ATOM 303 O ILE A 20 11.149 -17.484 10.746 1.00 0.00 O ATOM 304 CB ILE A 20 9.497 -17.425 13.411 1.00 0.00 C ATOM 305 CG1 ILE A 20 9.458 -17.910 14.872 1.00 0.00 C ATOM 306 CG2 ILE A 20 8.135 -16.857 13.000 1.00 0.00 C ATOM 307 CD1 ILE A 20 9.097 -16.833 15.881 1.00 0.00 C ATOM 0 H ILE A 20 11.900 -18.398 13.055 1.00 0.00 H new ATOM 0 HA ILE A 20 9.163 -19.364 12.503 1.00 0.00 H new ATOM 0 HB ILE A 20 10.236 -16.628 13.328 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.737 -18.723 14.953 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.433 -18.322 15.132 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.858 -16.049 13.678 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.193 -16.472 11.982 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.383 -17.645 13.048 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.093 -17.261 16.884 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.831 -16.029 15.833 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.108 -16.436 15.651 1.00 0.00 H new ATOM 319 N GLY A 21 9.088 -18.226 10.189 1.00 0.00 N ATOM 320 CA GLY A 21 9.155 -17.780 8.789 1.00 0.00 C ATOM 321 C GLY A 21 9.587 -16.317 8.614 1.00 0.00 C ATOM 322 O GLY A 21 9.205 -15.455 9.411 1.00 0.00 O ATOM 0 H GLY A 21 8.211 -18.683 10.439 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.852 -18.420 8.249 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.176 -17.915 8.329 1.00 0.00 H new ATOM 326 N PRO A 22 10.382 -16.023 7.565 1.00 0.00 N ATOM 327 CA PRO A 22 10.930 -14.684 7.308 1.00 0.00 C ATOM 328 C PRO A 22 9.891 -13.648 6.891 1.00 0.00 C ATOM 329 O PRO A 22 8.911 -13.958 6.212 1.00 0.00 O ATOM 330 CB PRO A 22 11.927 -14.906 6.176 1.00 0.00 C ATOM 331 CG PRO A 22 11.439 -16.125 5.476 1.00 0.00 C ATOM 332 CD PRO A 22 10.816 -16.992 6.534 1.00 0.00 C ATOM 0 HA PRO A 22 11.364 -14.274 8.220 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.959 -14.049 5.503 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.937 -15.048 6.560 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.712 -15.867 4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.259 -16.644 4.980 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.975 -17.563 6.141 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.530 -17.711 6.935 1.00 0.00 H new ATOM 340 N LYS A 23 10.121 -12.425 7.296 1.00 0.00 N ATOM 341 CA LYS A 23 9.252 -11.303 6.970 1.00 0.00 C ATOM 342 C LYS A 23 10.089 -10.280 6.307 1.00 0.00 C ATOM 343 O LYS A 23 11.301 -10.327 6.425 1.00 0.00 O ATOM 344 CB LYS A 23 8.604 -10.624 8.191 1.00 0.00 C ATOM 345 CG LYS A 23 7.684 -11.450 9.054 1.00 0.00 C ATOM 346 CD LYS A 23 8.439 -12.469 9.892 1.00 0.00 C ATOM 347 CE LYS A 23 7.517 -13.198 10.849 1.00 0.00 C ATOM 348 NZ LYS A 23 6.433 -13.934 10.164 1.00 0.00 N ATOM 0 H LYS A 23 10.925 -12.168 7.869 1.00 0.00 H new ATOM 0 HA LYS A 23 8.445 -11.697 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.404 -10.243 8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.042 -9.761 7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.117 -10.791 9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.962 -11.967 8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.927 -13.190 9.236 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.225 -11.967 10.455 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.102 -13.898 11.446 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.079 -12.478 11.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.770 -14.312 10.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.927 -13.290 9.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.839 -14.719 9.616 1.00 0.00 H new ATOM 362 N ALA A 24 9.476 -9.355 5.657 1.00 0.00 N ATOM 363 CA ALA A 24 10.214 -8.325 4.980 1.00 0.00 C ATOM 364 C ALA A 24 10.264 -7.082 5.850 1.00 0.00 C ATOM 365 O ALA A 24 9.225 -6.544 6.246 1.00 0.00 O ATOM 366 CB ALA A 24 9.592 -8.024 3.623 1.00 0.00 C ATOM 0 H ALA A 24 8.462 -9.282 5.574 1.00 0.00 H new ATOM 0 HA ALA A 24 11.233 -8.668 4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.165 -7.241 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.601 -8.926 3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.564 -7.689 3.760 1.00 0.00 H new ATOM 372 N PHE A 25 11.456 -6.640 6.155 1.00 0.00 N ATOM 373 CA PHE A 25 11.658 -5.482 6.978 1.00 0.00 C ATOM 374 C PHE A 25 12.430 -4.443 6.200 1.00 0.00 C ATOM 375 O PHE A 25 13.482 -4.737 5.640 1.00 0.00 O ATOM 376 CB PHE A 25 12.467 -5.838 8.230 1.00 0.00 C ATOM 377 CG PHE A 25 11.886 -6.934 9.070 1.00 0.00 C ATOM 378 CD1 PHE A 25 12.164 -8.247 8.772 1.00 0.00 C ATOM 379 CD2 PHE A 25 11.087 -6.656 10.163 1.00 0.00 C ATOM 380 CE1 PHE A 25 11.670 -9.265 9.533 1.00 0.00 C ATOM 381 CE2 PHE A 25 10.579 -7.687 10.933 1.00 0.00 C ATOM 382 CZ PHE A 25 10.883 -8.997 10.606 1.00 0.00 C ATOM 0 H PHE A 25 12.319 -7.079 5.835 1.00 0.00 H new ATOM 0 HA PHE A 25 10.681 -5.100 7.274 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.472 -6.129 7.924 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.568 -4.944 8.845 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.785 -8.477 7.919 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.859 -5.631 10.417 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.906 -10.288 9.281 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.949 -7.471 11.784 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.494 -9.807 11.205 1.00 0.00 H new ATOM 392 N PRO A 26 11.906 -3.244 6.098 1.00 0.00 N ATOM 393 CA PRO A 26 12.626 -2.131 5.492 1.00 0.00 C ATOM 394 C PRO A 26 13.869 -1.778 6.310 1.00 0.00 C ATOM 395 O PRO A 26 13.872 -1.940 7.539 1.00 0.00 O ATOM 396 CB PRO A 26 11.632 -0.971 5.586 1.00 0.00 C ATOM 397 CG PRO A 26 10.308 -1.614 5.732 1.00 0.00 C ATOM 398 CD PRO A 26 10.557 -2.855 6.531 1.00 0.00 C ATOM 0 HA PRO A 26 12.957 -2.356 4.478 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.855 -0.328 6.438 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.671 -0.345 4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.604 -0.954 6.239 1.00 0.00 H new ATOM 0 HG3 PRO A 26 9.877 -1.852 4.760 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.514 -2.663 7.603 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.822 -3.631 6.316 1.00 0.00 H new ATOM 406 N ASP A 27 14.911 -1.290 5.641 1.00 0.00 N ATOM 407 CA ASP A 27 16.147 -0.856 6.328 1.00 0.00 C ATOM 408 C ASP A 27 15.810 0.222 7.349 1.00 0.00 C ATOM 409 O ASP A 27 16.450 0.338 8.388 1.00 0.00 O ATOM 410 CB ASP A 27 17.183 -0.256 5.351 1.00 0.00 C ATOM 411 CG ASP A 27 17.659 -1.180 4.258 1.00 0.00 C ATOM 412 OD1 ASP A 27 18.563 -1.997 4.505 1.00 0.00 O ATOM 413 OD2 ASP A 27 17.150 -1.063 3.106 1.00 0.00 O ATOM 0 H ASP A 27 14.934 -1.181 4.627 1.00 0.00 H new ATOM 0 HA ASP A 27 16.574 -1.742 6.798 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.749 0.631 4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 27 18.048 0.075 5.925 1.00 0.00 H new ATOM 418 N ALA A 28 14.770 0.989 7.047 1.00 0.00 N ATOM 419 CA ALA A 28 14.347 2.100 7.881 1.00 0.00 C ATOM 420 C ALA A 28 13.508 1.645 9.085 1.00 0.00 C ATOM 421 O ALA A 28 13.042 2.469 9.868 1.00 0.00 O ATOM 422 CB ALA A 28 13.586 3.113 7.053 1.00 0.00 C ATOM 0 H ALA A 28 14.197 0.855 6.214 1.00 0.00 H new ATOM 0 HA ALA A 28 15.247 2.566 8.282 1.00 0.00 H new ATOM 0 HB1 ALA A 28 13.274 3.942 7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.229 3.489 6.257 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.707 2.639 6.616 1.00 0.00 H new ATOM 428 N THR A 29 13.309 0.358 9.229 1.00 0.00 N ATOM 429 CA THR A 29 12.611 -0.161 10.379 1.00 0.00 C ATOM 430 C THR A 29 13.585 -0.338 11.556 1.00 0.00 C ATOM 431 O THR A 29 14.737 -0.725 11.365 1.00 0.00 O ATOM 432 CB THR A 29 11.858 -1.462 10.022 1.00 0.00 C ATOM 433 OG1 THR A 29 10.885 -1.138 9.018 1.00 0.00 O ATOM 434 CG2 THR A 29 11.144 -2.058 11.225 1.00 0.00 C ATOM 0 H THR A 29 13.621 -0.350 8.564 1.00 0.00 H new ATOM 0 HA THR A 29 11.854 0.557 10.695 1.00 0.00 H new ATOM 0 HB THR A 29 12.579 -2.200 9.670 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.012 -1.496 9.281 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.629 -2.971 10.927 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.872 -2.290 12.002 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.419 -1.341 11.610 1.00 0.00 H new ATOM 442 N THR A 30 13.141 -0.004 12.745 1.00 0.00 N ATOM 443 CA THR A 30 13.986 -0.076 13.910 1.00 0.00 C ATOM 444 C THR A 30 14.009 -1.472 14.508 1.00 0.00 C ATOM 445 O THR A 30 13.135 -2.302 14.222 1.00 0.00 O ATOM 446 CB THR A 30 13.524 0.914 14.987 1.00 0.00 C ATOM 447 OG1 THR A 30 12.169 0.608 15.362 1.00 0.00 O ATOM 448 CG2 THR A 30 13.607 2.346 14.486 1.00 0.00 C ATOM 0 H THR A 30 12.192 0.322 12.930 1.00 0.00 H new ATOM 0 HA THR A 30 14.992 0.182 13.579 1.00 0.00 H new ATOM 0 HB THR A 30 14.181 0.819 15.852 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.764 1.391 15.791 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.273 3.026 15.270 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.638 2.579 14.218 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.969 2.462 13.610 1.00 0.00 H new ATOM 456 N VAL A 31 15.002 -1.726 15.356 1.00 0.00 N ATOM 457 CA VAL A 31 15.084 -2.984 16.077 1.00 0.00 C ATOM 458 C VAL A 31 13.932 -3.060 17.083 1.00 0.00 C ATOM 459 O VAL A 31 13.464 -4.142 17.449 1.00 0.00 O ATOM 460 CB VAL A 31 16.459 -3.161 16.778 1.00 0.00 C ATOM 461 CG1 VAL A 31 16.519 -4.453 17.595 1.00 0.00 C ATOM 462 CG2 VAL A 31 17.557 -3.162 15.742 1.00 0.00 C ATOM 0 H VAL A 31 15.760 -1.074 15.558 1.00 0.00 H new ATOM 0 HA VAL A 31 14.995 -3.803 15.364 1.00 0.00 H new ATOM 0 HB VAL A 31 16.594 -2.327 17.466 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.497 -4.539 18.069 1.00 0.00 H new ATOM 0 HG12 VAL A 31 15.744 -4.435 18.362 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.358 -5.307 16.937 1.00 0.00 H new ATOM 0 HG21 VAL A 31 18.522 -3.286 16.234 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.398 -3.984 15.044 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.546 -2.217 15.199 1.00 0.00 H new ATOM 472 N SER A 32 13.468 -1.896 17.499 1.00 0.00 N ATOM 473 CA SER A 32 12.339 -1.789 18.378 1.00 0.00 C ATOM 474 C SER A 32 11.111 -2.419 17.701 1.00 0.00 C ATOM 475 O SER A 32 10.452 -3.287 18.281 1.00 0.00 O ATOM 476 CB SER A 32 12.085 -0.307 18.703 1.00 0.00 C ATOM 477 OG SER A 32 11.030 -0.139 19.636 1.00 0.00 O ATOM 0 H SER A 32 13.872 -0.999 17.230 1.00 0.00 H new ATOM 0 HA SER A 32 12.535 -2.319 19.310 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.996 0.137 19.103 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.845 0.229 17.785 1.00 0.00 H new ATOM 0 HG SER A 32 10.902 0.816 19.817 1.00 0.00 H new ATOM 483 N ALA A 33 10.853 -2.026 16.450 1.00 0.00 N ATOM 484 CA ALA A 33 9.719 -2.550 15.688 1.00 0.00 C ATOM 485 C ALA A 33 9.961 -4.007 15.289 1.00 0.00 C ATOM 486 O ALA A 33 9.017 -4.790 15.120 1.00 0.00 O ATOM 487 CB ALA A 33 9.457 -1.687 14.465 1.00 0.00 C ATOM 0 H ALA A 33 11.417 -1.344 15.943 1.00 0.00 H new ATOM 0 HA ALA A 33 8.833 -2.519 16.322 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.611 -2.091 13.909 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.232 -0.668 14.780 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.341 -1.682 13.827 1.00 0.00 H new ATOM 493 N LEU A 34 11.227 -4.362 15.159 1.00 0.00 N ATOM 494 CA LEU A 34 11.641 -5.684 14.853 1.00 0.00 C ATOM 495 C LEU A 34 11.238 -6.614 16.008 1.00 0.00 C ATOM 496 O LEU A 34 10.650 -7.680 15.790 1.00 0.00 O ATOM 497 CB LEU A 34 13.152 -5.647 14.636 1.00 0.00 C ATOM 498 CG LEU A 34 13.851 -6.951 14.408 1.00 0.00 C ATOM 499 CD1 LEU A 34 13.318 -7.659 13.174 1.00 0.00 C ATOM 500 CD2 LEU A 34 15.346 -6.742 14.300 1.00 0.00 C ATOM 0 H LEU A 34 12.002 -3.708 15.270 1.00 0.00 H new ATOM 0 HA LEU A 34 11.165 -6.068 13.951 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.353 -5.004 13.779 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.605 -5.170 15.505 1.00 0.00 H new ATOM 0 HG LEU A 34 13.651 -7.590 15.268 1.00 0.00 H new ATOM 0 HD11 LEU A 34 13.848 -8.602 13.038 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.253 -7.855 13.299 1.00 0.00 H new ATOM 0 HD13 LEU A 34 13.470 -7.028 12.298 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.836 -7.701 14.134 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.561 -6.076 13.465 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.719 -6.298 15.223 1.00 0.00 H new ATOM 512 N LYS A 35 11.514 -6.185 17.235 1.00 0.00 N ATOM 513 CA LYS A 35 11.095 -6.926 18.401 1.00 0.00 C ATOM 514 C LYS A 35 9.586 -6.928 18.556 1.00 0.00 C ATOM 515 O LYS A 35 9.011 -7.937 18.909 1.00 0.00 O ATOM 516 CB LYS A 35 11.782 -6.461 19.674 1.00 0.00 C ATOM 517 CG LYS A 35 13.238 -6.870 19.774 1.00 0.00 C ATOM 518 CD LYS A 35 13.866 -6.330 21.035 1.00 0.00 C ATOM 519 CE LYS A 35 15.324 -6.705 21.166 1.00 0.00 C ATOM 520 NZ LYS A 35 15.915 -6.122 22.392 1.00 0.00 N ATOM 0 H LYS A 35 12.026 -5.327 17.439 1.00 0.00 H new ATOM 0 HA LYS A 35 11.413 -7.955 18.234 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.716 -5.375 19.734 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.243 -6.862 20.533 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.316 -7.957 19.762 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.783 -6.501 18.905 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.772 -5.244 21.047 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.319 -6.707 21.899 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.423 -7.790 21.191 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.873 -6.355 20.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.885 -6.476 22.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.932 -5.085 22.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.343 -6.394 23.217 1.00 0.00 H new ATOM 534 N GLU A 36 8.943 -5.810 18.255 1.00 0.00 N ATOM 535 CA GLU A 36 7.482 -5.732 18.310 1.00 0.00 C ATOM 536 C GLU A 36 6.856 -6.803 17.413 1.00 0.00 C ATOM 537 O GLU A 36 5.799 -7.368 17.724 1.00 0.00 O ATOM 538 CB GLU A 36 7.009 -4.350 17.875 1.00 0.00 C ATOM 539 CG GLU A 36 7.420 -3.219 18.803 1.00 0.00 C ATOM 540 CD GLU A 36 6.851 -3.374 20.190 1.00 0.00 C ATOM 541 OE1 GLU A 36 5.654 -3.056 20.384 1.00 0.00 O ATOM 542 OE2 GLU A 36 7.572 -3.819 21.108 1.00 0.00 O ATOM 0 H GLU A 36 9.403 -4.945 17.971 1.00 0.00 H new ATOM 0 HA GLU A 36 7.167 -5.906 19.339 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.399 -4.144 16.878 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.922 -4.361 17.796 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.508 -3.179 18.862 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.089 -2.270 18.382 1.00 0.00 H new ATOM 549 N THR A 37 7.532 -7.092 16.326 1.00 0.00 N ATOM 550 CA THR A 37 7.102 -8.095 15.407 1.00 0.00 C ATOM 551 C THR A 37 7.302 -9.512 15.996 1.00 0.00 C ATOM 552 O THR A 37 6.387 -10.320 15.964 1.00 0.00 O ATOM 553 CB THR A 37 7.846 -7.945 14.058 1.00 0.00 C ATOM 554 OG1 THR A 37 7.613 -6.615 13.548 1.00 0.00 O ATOM 555 CG2 THR A 37 7.353 -8.965 13.036 1.00 0.00 C ATOM 0 H THR A 37 8.401 -6.629 16.061 1.00 0.00 H new ATOM 0 HA THR A 37 6.035 -7.960 15.228 1.00 0.00 H new ATOM 0 HB THR A 37 8.909 -8.117 14.225 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.101 -5.965 14.095 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.895 -8.833 12.100 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.524 -9.972 13.416 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.287 -8.819 12.862 1.00 0.00 H new ATOM 563 N VAL A 38 8.478 -9.783 16.582 1.00 0.00 N ATOM 564 CA VAL A 38 8.776 -11.129 17.116 1.00 0.00 C ATOM 565 C VAL A 38 7.828 -11.490 18.264 1.00 0.00 C ATOM 566 O VAL A 38 7.342 -12.613 18.351 1.00 0.00 O ATOM 567 CB VAL A 38 10.273 -11.281 17.570 1.00 0.00 C ATOM 568 CG1 VAL A 38 10.620 -10.467 18.801 1.00 0.00 C ATOM 569 CG2 VAL A 38 10.673 -12.731 17.745 1.00 0.00 C ATOM 0 H VAL A 38 9.230 -9.104 16.699 1.00 0.00 H new ATOM 0 HA VAL A 38 8.616 -11.829 16.296 1.00 0.00 H new ATOM 0 HB VAL A 38 10.862 -10.866 16.752 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.669 -10.621 19.056 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.447 -9.410 18.599 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.994 -10.784 19.635 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.715 -12.786 18.059 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.041 -13.194 18.503 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.551 -13.259 16.799 1.00 0.00 H new ATOM 579 N ILE A 39 7.555 -10.512 19.102 1.00 0.00 N ATOM 580 CA ILE A 39 6.655 -10.680 20.256 1.00 0.00 C ATOM 581 C ILE A 39 5.233 -10.994 19.763 1.00 0.00 C ATOM 582 O ILE A 39 4.508 -11.766 20.379 1.00 0.00 O ATOM 583 CB ILE A 39 6.642 -9.392 21.143 1.00 0.00 C ATOM 584 CG1 ILE A 39 8.065 -9.021 21.521 1.00 0.00 C ATOM 585 CG2 ILE A 39 5.821 -9.607 22.427 1.00 0.00 C ATOM 586 CD1 ILE A 39 8.171 -7.701 22.224 1.00 0.00 C ATOM 0 H ILE A 39 7.944 -9.573 19.015 1.00 0.00 H new ATOM 0 HA ILE A 39 7.019 -11.509 20.863 1.00 0.00 H new ATOM 0 HB ILE A 39 6.182 -8.589 20.567 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.477 -9.800 22.163 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.677 -8.994 20.619 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.831 -8.694 23.022 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.793 -9.858 22.164 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.257 -10.422 23.005 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.215 -7.500 22.464 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.789 -6.912 21.576 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.586 -7.730 23.143 1.00 0.00 H new ATOM 598 N SER A 40 4.863 -10.403 18.636 1.00 0.00 N ATOM 599 CA SER A 40 3.559 -10.634 18.037 1.00 0.00 C ATOM 600 C SER A 40 3.504 -12.005 17.341 1.00 0.00 C ATOM 601 O SER A 40 2.458 -12.664 17.313 1.00 0.00 O ATOM 602 CB SER A 40 3.228 -9.519 17.047 1.00 0.00 C ATOM 603 OG SER A 40 3.246 -8.251 17.695 1.00 0.00 O ATOM 0 H SER A 40 5.454 -9.755 18.115 1.00 0.00 H new ATOM 0 HA SER A 40 2.814 -10.631 18.833 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.949 -9.526 16.229 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.246 -9.695 16.608 1.00 0.00 H new ATOM 0 HG SER A 40 4.162 -7.902 17.706 1.00 0.00 H new ATOM 609 N GLU A 41 4.631 -12.425 16.775 1.00 0.00 N ATOM 610 CA GLU A 41 4.733 -13.687 16.101 1.00 0.00 C ATOM 611 C GLU A 41 4.738 -14.838 17.075 1.00 0.00 C ATOM 612 O GLU A 41 4.367 -15.960 16.724 1.00 0.00 O ATOM 613 CB GLU A 41 5.987 -13.721 15.261 1.00 0.00 C ATOM 614 CG GLU A 41 5.980 -12.758 14.102 1.00 0.00 C ATOM 615 CD GLU A 41 4.833 -13.014 13.162 1.00 0.00 C ATOM 616 OE1 GLU A 41 4.879 -14.009 12.417 1.00 0.00 O ATOM 617 OE2 GLU A 41 3.885 -12.208 13.121 1.00 0.00 O ATOM 0 H GLU A 41 5.497 -11.886 16.779 1.00 0.00 H new ATOM 0 HA GLU A 41 3.858 -13.795 15.460 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.844 -13.500 15.898 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.127 -14.732 14.878 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.918 -11.737 14.479 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.920 -12.840 13.557 1.00 0.00 H new ATOM 624 N TRP A 42 5.169 -14.575 18.270 1.00 0.00 N ATOM 625 CA TRP A 42 5.185 -15.571 19.283 1.00 0.00 C ATOM 626 C TRP A 42 3.833 -15.537 19.964 1.00 0.00 C ATOM 627 O TRP A 42 3.454 -14.508 20.531 1.00 0.00 O ATOM 628 CB TRP A 42 6.283 -15.265 20.291 1.00 0.00 C ATOM 629 CG TRP A 42 6.622 -16.410 21.196 1.00 0.00 C ATOM 630 CD1 TRP A 42 6.041 -16.743 22.388 1.00 0.00 C ATOM 631 CD2 TRP A 42 7.640 -17.374 20.961 1.00 0.00 C ATOM 632 NE1 TRP A 42 6.669 -17.847 22.921 1.00 0.00 N ATOM 633 CE2 TRP A 42 7.645 -18.260 22.051 1.00 0.00 C ATOM 634 CE3 TRP A 42 8.553 -17.571 19.927 1.00 0.00 C ATOM 635 CZ2 TRP A 42 8.534 -19.323 22.134 1.00 0.00 C ATOM 636 CZ3 TRP A 42 9.431 -18.623 20.010 1.00 0.00 C ATOM 637 CH2 TRP A 42 9.416 -19.488 21.104 1.00 0.00 C ATOM 0 H TRP A 42 5.518 -13.663 18.565 1.00 0.00 H new ATOM 0 HA TRP A 42 5.379 -16.556 18.858 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.182 -14.964 19.752 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.976 -14.414 20.899 1.00 0.00 H new ATOM 0 HD1 TRP A 42 5.214 -16.219 22.843 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.445 -18.285 23.815 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.570 -16.908 19.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.529 -19.994 22.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 10.145 -18.783 19.215 1.00 0.00 H new ATOM 0 HH2 TRP A 42 10.118 -20.308 21.138 1.00 0.00 H new ATOM 648 N PRO A 43 3.065 -16.622 19.888 1.00 0.00 N ATOM 649 CA PRO A 43 1.756 -16.680 20.506 1.00 0.00 C ATOM 650 C PRO A 43 1.847 -16.510 22.010 1.00 0.00 C ATOM 651 O PRO A 43 2.548 -17.248 22.680 1.00 0.00 O ATOM 652 CB PRO A 43 1.251 -18.095 20.179 1.00 0.00 C ATOM 653 CG PRO A 43 2.073 -18.540 19.026 1.00 0.00 C ATOM 654 CD PRO A 43 3.404 -17.877 19.196 1.00 0.00 C ATOM 0 HA PRO A 43 1.101 -15.888 20.142 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.372 -18.764 21.031 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.190 -18.087 19.928 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.175 -19.625 19.014 1.00 0.00 H new ATOM 0 HG3 PRO A 43 1.611 -18.253 18.082 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.088 -18.490 19.784 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.887 -17.691 18.237 1.00 0.00 H new ATOM 662 N ARG A 44 1.148 -15.530 22.533 1.00 0.00 N ATOM 663 CA ARG A 44 1.075 -15.338 23.972 1.00 0.00 C ATOM 664 C ARG A 44 0.283 -16.494 24.577 1.00 0.00 C ATOM 665 O ARG A 44 0.349 -16.766 25.772 1.00 0.00 O ATOM 666 CB ARG A 44 0.520 -13.931 24.346 1.00 0.00 C ATOM 667 CG ARG A 44 -0.924 -13.623 23.946 1.00 0.00 C ATOM 668 CD ARG A 44 -1.940 -14.270 24.878 1.00 0.00 C ATOM 669 NE ARG A 44 -3.301 -14.010 24.442 1.00 0.00 N ATOM 670 CZ ARG A 44 -4.317 -13.675 25.241 1.00 0.00 C ATOM 671 NH1 ARG A 44 -4.153 -13.634 26.562 1.00 0.00 N ATOM 672 NH2 ARG A 44 -5.498 -13.409 24.721 1.00 0.00 N ATOM 0 H ARG A 44 0.619 -14.850 21.987 1.00 0.00 H new ATOM 0 HA ARG A 44 2.077 -15.354 24.401 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.605 -13.810 25.426 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.165 -13.180 23.889 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.074 -12.543 23.944 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.097 -13.971 22.928 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.768 -15.346 24.916 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.802 -13.889 25.890 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.497 -14.090 23.444 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.246 -13.859 26.971 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.934 -13.377 27.165 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.634 -13.459 23.711 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.277 -13.153 25.328 1.00 0.00 H new ATOM 686 N GLU A 45 -0.511 -17.130 23.706 1.00 0.00 N ATOM 687 CA GLU A 45 -1.299 -18.313 24.009 1.00 0.00 C ATOM 688 C GLU A 45 -0.385 -19.533 24.257 1.00 0.00 C ATOM 689 O GLU A 45 -0.846 -20.580 24.705 1.00 0.00 O ATOM 690 CB GLU A 45 -2.240 -18.655 22.831 1.00 0.00 C ATOM 691 CG GLU A 45 -3.287 -17.597 22.435 1.00 0.00 C ATOM 692 CD GLU A 45 -2.718 -16.289 21.908 1.00 0.00 C ATOM 693 OE1 GLU A 45 -1.613 -16.292 21.305 1.00 0.00 O ATOM 694 OE2 GLU A 45 -3.383 -15.245 22.060 1.00 0.00 O ATOM 0 H GLU A 45 -0.620 -16.818 22.741 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.880 -18.095 24.905 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.624 -18.864 21.956 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.768 -19.577 23.077 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.941 -18.023 21.674 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.908 -17.381 23.304 1.00 0.00 H new ATOM 701 N LYS A 46 0.900 -19.389 23.940 1.00 0.00 N ATOM 702 CA LYS A 46 1.890 -20.449 24.139 1.00 0.00 C ATOM 703 C LYS A 46 2.237 -20.468 25.648 1.00 0.00 C ATOM 704 O LYS A 46 1.597 -19.763 26.436 1.00 0.00 O ATOM 705 CB LYS A 46 3.154 -20.105 23.286 1.00 0.00 C ATOM 706 CG LYS A 46 4.180 -21.227 23.064 1.00 0.00 C ATOM 707 CD LYS A 46 3.556 -22.417 22.345 1.00 0.00 C ATOM 708 CE LYS A 46 4.595 -23.467 21.970 1.00 0.00 C ATOM 709 NZ LYS A 46 5.568 -22.964 20.965 1.00 0.00 N ATOM 0 H LYS A 46 1.286 -18.535 23.538 1.00 0.00 H new ATOM 0 HA LYS A 46 1.516 -21.426 23.832 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.818 -19.757 22.309 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.666 -19.269 23.763 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.018 -20.846 22.480 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.582 -21.550 24.024 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.798 -22.870 22.984 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.049 -22.071 21.444 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.131 -23.781 22.866 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.091 -24.349 21.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.112 -23.762 20.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.057 -22.488 20.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.217 -22.290 21.418 1.00 0.00 H new ATOM 723 N GLU A 47 3.206 -21.268 26.057 1.00 0.00 N ATOM 724 CA GLU A 47 3.650 -21.252 27.433 1.00 0.00 C ATOM 725 C GLU A 47 4.140 -19.858 27.815 1.00 0.00 C ATOM 726 O GLU A 47 4.502 -19.049 26.940 1.00 0.00 O ATOM 727 CB GLU A 47 4.765 -22.262 27.676 1.00 0.00 C ATOM 728 CG GLU A 47 4.379 -23.706 27.442 1.00 0.00 C ATOM 729 CD GLU A 47 5.507 -24.646 27.774 1.00 0.00 C ATOM 730 OE1 GLU A 47 5.714 -24.933 28.970 1.00 0.00 O ATOM 731 OE2 GLU A 47 6.212 -25.105 26.847 1.00 0.00 O ATOM 0 H GLU A 47 3.696 -21.932 25.457 1.00 0.00 H new ATOM 0 HA GLU A 47 2.797 -21.526 28.053 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.606 -22.016 27.027 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.114 -22.156 28.703 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.509 -23.953 28.050 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.088 -23.840 26.400 1.00 0.00 H new ATOM 738 N ASN A 48 4.174 -19.583 29.107 1.00 0.00 N ATOM 739 CA ASN A 48 4.606 -18.293 29.647 1.00 0.00 C ATOM 740 C ASN A 48 6.108 -18.033 29.502 1.00 0.00 C ATOM 741 O ASN A 48 6.733 -17.434 30.381 1.00 0.00 O ATOM 742 CB ASN A 48 4.168 -18.114 31.112 1.00 0.00 C ATOM 743 CG ASN A 48 2.677 -17.880 31.264 1.00 0.00 C ATOM 744 OD1 ASN A 48 2.216 -16.740 31.221 1.00 0.00 O ATOM 745 ND2 ASN A 48 1.920 -18.929 31.456 1.00 0.00 N ATOM 0 H ASN A 48 3.900 -20.254 29.825 1.00 0.00 H new ATOM 0 HA ASN A 48 4.102 -17.546 29.034 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.450 -19.000 31.680 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.708 -17.272 31.546 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.913 -18.816 31.576 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.336 -19.860 31.486 1.00 0.00 H new ATOM 752 N GLY A 49 6.662 -18.435 28.383 1.00 0.00 N ATOM 753 CA GLY A 49 8.035 -18.174 28.084 1.00 0.00 C ATOM 754 C GLY A 49 8.178 -16.773 27.547 1.00 0.00 C ATOM 755 O GLY A 49 7.944 -15.811 28.273 1.00 0.00 O ATOM 0 H GLY A 49 6.166 -18.953 27.658 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.642 -18.294 28.981 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.402 -18.894 27.352 1.00 0.00 H new ATOM 759 N PRO A 50 8.572 -16.625 26.285 1.00 0.00 N ATOM 760 CA PRO A 50 8.605 -15.322 25.616 1.00 0.00 C ATOM 761 C PRO A 50 7.208 -14.711 25.544 1.00 0.00 C ATOM 762 O PRO A 50 6.258 -15.351 25.072 1.00 0.00 O ATOM 763 CB PRO A 50 9.092 -15.667 24.207 1.00 0.00 C ATOM 764 CG PRO A 50 9.828 -16.938 24.376 1.00 0.00 C ATOM 765 CD PRO A 50 9.068 -17.695 25.411 1.00 0.00 C ATOM 0 HA PRO A 50 9.233 -14.598 26.134 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.258 -15.779 23.514 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.736 -14.885 23.806 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.876 -17.493 23.439 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.855 -16.759 24.694 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.253 -18.273 24.975 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.704 -18.397 25.950 1.00 0.00 H new ATOM 773 N LYS A 51 7.077 -13.527 26.059 1.00 0.00 N ATOM 774 CA LYS A 51 5.827 -12.812 26.049 1.00 0.00 C ATOM 775 C LYS A 51 6.036 -11.300 25.976 1.00 0.00 C ATOM 776 O LYS A 51 5.125 -10.550 25.589 1.00 0.00 O ATOM 777 CB LYS A 51 4.982 -13.250 27.255 1.00 0.00 C ATOM 778 CG LYS A 51 5.724 -13.223 28.580 1.00 0.00 C ATOM 779 CD LYS A 51 4.979 -14.013 29.633 1.00 0.00 C ATOM 780 CE LYS A 51 5.758 -14.090 30.944 1.00 0.00 C ATOM 781 NZ LYS A 51 7.111 -14.678 30.770 1.00 0.00 N ATOM 0 H LYS A 51 7.841 -13.019 26.505 1.00 0.00 H new ATOM 0 HA LYS A 51 5.274 -13.065 25.144 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.109 -12.601 27.327 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.614 -14.261 27.078 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.724 -13.636 28.450 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.846 -12.192 28.912 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.008 -13.551 29.814 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.789 -15.021 29.264 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.852 -13.089 31.366 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.196 -14.687 31.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.565 -14.786 31.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.029 -15.609 30.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.688 -14.051 30.174 1.00 0.00 H new ATOM 795 N THR A 52 7.221 -10.849 26.350 1.00 0.00 N ATOM 796 CA THR A 52 7.562 -9.453 26.271 1.00 0.00 C ATOM 797 C THR A 52 8.942 -9.229 25.601 1.00 0.00 C ATOM 798 O THR A 52 9.698 -10.178 25.343 1.00 0.00 O ATOM 799 CB THR A 52 7.570 -8.786 27.648 1.00 0.00 C ATOM 800 OG1 THR A 52 8.521 -9.441 28.497 1.00 0.00 O ATOM 801 CG2 THR A 52 6.194 -8.811 28.310 1.00 0.00 C ATOM 0 H THR A 52 7.966 -11.443 26.714 1.00 0.00 H new ATOM 0 HA THR A 52 6.787 -8.995 25.656 1.00 0.00 H new ATOM 0 HB THR A 52 7.849 -7.742 27.504 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.525 -9.010 29.377 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.250 -8.326 29.285 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.478 -8.281 27.682 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.870 -9.844 28.437 1.00 0.00 H new ATOM 809 N VAL A 53 9.251 -7.958 25.343 1.00 0.00 N ATOM 810 CA VAL A 53 10.511 -7.516 24.721 1.00 0.00 C ATOM 811 C VAL A 53 11.715 -7.779 25.641 1.00 0.00 C ATOM 812 O VAL A 53 12.838 -8.005 25.178 1.00 0.00 O ATOM 813 CB VAL A 53 10.430 -5.996 24.333 1.00 0.00 C ATOM 814 CG1 VAL A 53 10.157 -5.114 25.538 1.00 0.00 C ATOM 815 CG2 VAL A 53 11.674 -5.533 23.610 1.00 0.00 C ATOM 0 H VAL A 53 8.622 -7.186 25.563 1.00 0.00 H new ATOM 0 HA VAL A 53 10.657 -8.100 23.812 1.00 0.00 H new ATOM 0 HB VAL A 53 9.586 -5.898 23.650 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.109 -4.072 25.223 1.00 0.00 H new ATOM 0 HG12 VAL A 53 9.208 -5.400 25.991 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.958 -5.236 26.267 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.577 -4.477 23.360 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.543 -5.676 24.253 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.800 -6.113 22.696 1.00 0.00 H new ATOM 825 N LYS A 54 11.448 -7.773 26.934 1.00 0.00 N ATOM 826 CA LYS A 54 12.442 -7.992 27.983 1.00 0.00 C ATOM 827 C LYS A 54 13.125 -9.349 27.815 1.00 0.00 C ATOM 828 O LYS A 54 14.317 -9.513 28.088 1.00 0.00 O ATOM 829 CB LYS A 54 11.702 -8.014 29.325 1.00 0.00 C ATOM 830 CG LYS A 54 12.581 -8.216 30.550 1.00 0.00 C ATOM 831 CD LYS A 54 11.747 -8.480 31.800 1.00 0.00 C ATOM 832 CE LYS A 54 10.753 -7.372 32.075 1.00 0.00 C ATOM 833 NZ LYS A 54 9.967 -7.634 33.293 1.00 0.00 N ATOM 0 H LYS A 54 10.509 -7.612 27.299 1.00 0.00 H new ATOM 0 HA LYS A 54 13.193 -7.203 27.933 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.161 -7.075 29.438 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.958 -8.810 29.297 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.258 -9.053 30.379 1.00 0.00 H new ATOM 0 HG3 LYS A 54 13.200 -7.332 30.704 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.213 -9.423 31.685 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.409 -8.592 32.658 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.283 -6.426 32.181 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.080 -7.267 31.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.297 -6.854 33.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.441 -8.524 33.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.607 -7.709 34.110 1.00 0.00 H new ATOM 847 N GLU A 55 12.369 -10.286 27.346 1.00 0.00 N ATOM 848 CA GLU A 55 12.764 -11.675 27.335 1.00 0.00 C ATOM 849 C GLU A 55 13.463 -12.084 26.043 1.00 0.00 C ATOM 850 O GLU A 55 14.343 -12.951 26.050 1.00 0.00 O ATOM 851 CB GLU A 55 11.507 -12.474 27.539 1.00 0.00 C ATOM 852 CG GLU A 55 10.758 -12.004 28.772 1.00 0.00 C ATOM 853 CD GLU A 55 9.395 -12.563 28.863 1.00 0.00 C ATOM 854 OE1 GLU A 55 8.660 -12.425 27.889 1.00 0.00 O ATOM 855 OE2 GLU A 55 9.013 -13.072 29.927 1.00 0.00 O ATOM 0 H GLU A 55 11.444 -10.116 26.951 1.00 0.00 H new ATOM 0 HA GLU A 55 13.494 -11.857 28.124 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.866 -12.381 26.662 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.756 -13.530 27.641 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.321 -12.285 29.662 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.699 -10.916 28.763 1.00 0.00 H new ATOM 862 N VAL A 56 13.116 -11.443 24.966 1.00 0.00 N ATOM 863 CA VAL A 56 13.632 -11.814 23.660 1.00 0.00 C ATOM 864 C VAL A 56 14.864 -10.983 23.274 1.00 0.00 C ATOM 865 O VAL A 56 14.777 -9.761 23.135 1.00 0.00 O ATOM 866 CB VAL A 56 12.534 -11.636 22.569 1.00 0.00 C ATOM 867 CG1 VAL A 56 13.046 -12.050 21.198 1.00 0.00 C ATOM 868 CG2 VAL A 56 11.275 -12.419 22.928 1.00 0.00 C ATOM 0 H VAL A 56 12.472 -10.652 24.956 1.00 0.00 H new ATOM 0 HA VAL A 56 13.928 -12.861 23.720 1.00 0.00 H new ATOM 0 HB VAL A 56 12.280 -10.577 22.529 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.257 -11.914 20.459 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.905 -11.435 20.929 1.00 0.00 H new ATOM 0 HG13 VAL A 56 13.344 -13.098 21.222 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.524 -12.278 22.150 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.517 -13.479 23.011 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.883 -12.061 23.880 1.00 0.00 H new ATOM 878 N LYS A 57 16.000 -11.640 23.106 1.00 0.00 N ATOM 879 CA LYS A 57 17.197 -10.969 22.628 1.00 0.00 C ATOM 880 C LYS A 57 17.271 -11.121 21.133 1.00 0.00 C ATOM 881 O LYS A 57 16.993 -12.201 20.601 1.00 0.00 O ATOM 882 CB LYS A 57 18.482 -11.569 23.220 1.00 0.00 C ATOM 883 CG LYS A 57 18.703 -11.364 24.703 1.00 0.00 C ATOM 884 CD LYS A 57 20.049 -11.959 25.117 1.00 0.00 C ATOM 885 CE LYS A 57 20.369 -11.679 26.572 1.00 0.00 C ATOM 886 NZ LYS A 57 21.669 -12.263 26.982 1.00 0.00 N ATOM 0 H LYS A 57 16.118 -12.636 23.293 1.00 0.00 H new ATOM 0 HA LYS A 57 17.130 -9.925 22.934 1.00 0.00 H new ATOM 0 HB2 LYS A 57 18.481 -12.641 23.020 1.00 0.00 H new ATOM 0 HB3 LYS A 57 19.333 -11.146 22.687 1.00 0.00 H new ATOM 0 HG2 LYS A 57 18.678 -10.300 24.939 1.00 0.00 H new ATOM 0 HG3 LYS A 57 17.898 -11.835 25.268 1.00 0.00 H new ATOM 0 HD2 LYS A 57 20.037 -13.036 24.949 1.00 0.00 H new ATOM 0 HD3 LYS A 57 20.837 -11.547 24.487 1.00 0.00 H new ATOM 0 HE2 LYS A 57 20.388 -10.602 26.737 1.00 0.00 H new ATOM 0 HE3 LYS A 57 19.576 -12.084 27.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 21.846 -12.047 27.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 21.643 -13.294 26.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 22.430 -11.858 26.400 1.00 0.00 H new ATOM 900 N LEU A 58 17.647 -10.067 20.458 1.00 0.00 N ATOM 901 CA LEU A 58 17.768 -10.111 19.043 1.00 0.00 C ATOM 902 C LEU A 58 19.266 -10.043 18.781 1.00 0.00 C ATOM 903 O LEU A 58 19.932 -9.079 19.189 1.00 0.00 O ATOM 904 CB LEU A 58 16.976 -8.902 18.453 1.00 0.00 C ATOM 905 CG LEU A 58 16.704 -8.851 16.931 1.00 0.00 C ATOM 906 CD1 LEU A 58 17.967 -8.660 16.129 1.00 0.00 C ATOM 907 CD2 LEU A 58 15.966 -10.105 16.482 1.00 0.00 C ATOM 0 H LEU A 58 17.874 -9.166 20.878 1.00 0.00 H new ATOM 0 HA LEU A 58 17.356 -11.005 18.574 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.012 -8.862 18.960 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.516 -7.994 18.721 1.00 0.00 H new ATOM 0 HG LEU A 58 16.074 -7.981 16.744 1.00 0.00 H new ATOM 0 HD11 LEU A 58 17.723 -8.631 15.067 1.00 0.00 H new ATOM 0 HD12 LEU A 58 18.443 -7.723 16.418 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.649 -9.488 16.322 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.782 -10.054 15.409 1.00 0.00 H new ATOM 0 HD22 LEU A 58 16.572 -10.983 16.705 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.015 -10.176 17.010 1.00 0.00 H new ATOM 919 N ILE A 59 19.796 -11.056 18.128 1.00 0.00 N ATOM 920 CA ILE A 59 21.232 -11.199 17.975 1.00 0.00 C ATOM 921 C ILE A 59 21.620 -11.548 16.543 1.00 0.00 C ATOM 922 O ILE A 59 20.993 -12.386 15.896 1.00 0.00 O ATOM 923 CB ILE A 59 21.761 -12.304 18.955 1.00 0.00 C ATOM 924 CG1 ILE A 59 21.466 -11.911 20.411 1.00 0.00 C ATOM 925 CG2 ILE A 59 23.241 -12.556 18.762 1.00 0.00 C ATOM 926 CD1 ILE A 59 21.908 -12.928 21.437 1.00 0.00 C ATOM 0 H ILE A 59 19.250 -11.799 17.691 1.00 0.00 H new ATOM 0 HA ILE A 59 21.689 -10.239 18.216 1.00 0.00 H new ATOM 0 HB ILE A 59 21.237 -13.232 18.727 1.00 0.00 H new ATOM 0 HG12 ILE A 59 21.957 -10.962 20.624 1.00 0.00 H new ATOM 0 HG13 ILE A 59 20.394 -11.747 20.519 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.573 -13.327 19.457 1.00 0.00 H new ATOM 0 HG22 ILE A 59 23.423 -12.887 17.740 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.794 -11.636 18.950 1.00 0.00 H new ATOM 0 HD11 ILE A 59 21.660 -12.568 22.436 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.398 -13.874 21.255 1.00 0.00 H new ATOM 0 HD13 ILE A 59 22.985 -13.077 21.361 1.00 0.00 H new ATOM 938 N SER A 60 22.637 -10.882 16.057 1.00 0.00 N ATOM 939 CA SER A 60 23.180 -11.139 14.760 1.00 0.00 C ATOM 940 C SER A 60 24.636 -11.575 14.907 1.00 0.00 C ATOM 941 O SER A 60 25.481 -10.771 15.323 1.00 0.00 O ATOM 942 CB SER A 60 23.081 -9.870 13.894 1.00 0.00 C ATOM 943 OG SER A 60 23.764 -8.778 14.509 1.00 0.00 O ATOM 0 H SER A 60 23.113 -10.136 16.564 1.00 0.00 H new ATOM 0 HA SER A 60 22.616 -11.934 14.272 1.00 0.00 H new ATOM 0 HB2 SER A 60 23.508 -10.063 12.910 1.00 0.00 H new ATOM 0 HB3 SER A 60 22.034 -9.610 13.742 1.00 0.00 H new ATOM 0 HG SER A 60 24.606 -9.095 14.896 1.00 0.00 H new ATOM 949 N ALA A 61 24.906 -12.850 14.643 1.00 0.00 N ATOM 950 CA ALA A 61 26.274 -13.429 14.675 1.00 0.00 C ATOM 951 C ALA A 61 26.958 -13.322 16.055 1.00 0.00 C ATOM 952 O ALA A 61 28.182 -13.471 16.169 1.00 0.00 O ATOM 953 CB ALA A 61 27.146 -12.805 13.588 1.00 0.00 C ATOM 0 H ALA A 61 24.185 -13.528 14.397 1.00 0.00 H new ATOM 0 HA ALA A 61 26.159 -14.495 14.478 1.00 0.00 H new ATOM 0 HB1 ALA A 61 28.144 -13.241 13.627 1.00 0.00 H new ATOM 0 HB2 ALA A 61 26.703 -12.998 12.611 1.00 0.00 H new ATOM 0 HB3 ALA A 61 27.214 -11.729 13.749 1.00 0.00 H new ATOM 959 N GLY A 62 26.180 -13.124 17.086 1.00 0.00 N ATOM 960 CA GLY A 62 26.739 -13.005 18.427 1.00 0.00 C ATOM 961 C GLY A 62 26.781 -11.568 18.926 1.00 0.00 C ATOM 962 O GLY A 62 27.432 -11.265 19.931 1.00 0.00 O ATOM 0 H GLY A 62 25.165 -13.041 17.035 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.147 -13.607 19.117 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.749 -13.416 18.432 1.00 0.00 H new ATOM 966 N LYS A 63 26.114 -10.682 18.225 1.00 0.00 N ATOM 967 CA LYS A 63 26.041 -9.321 18.592 1.00 0.00 C ATOM 968 C LYS A 63 24.612 -8.993 18.950 1.00 0.00 C ATOM 969 O LYS A 63 23.703 -9.314 18.187 1.00 0.00 O ATOM 970 CB LYS A 63 26.474 -8.483 17.411 1.00 0.00 C ATOM 971 CG LYS A 63 27.908 -8.729 16.961 1.00 0.00 C ATOM 972 CD LYS A 63 28.298 -7.857 15.775 1.00 0.00 C ATOM 973 CE LYS A 63 28.242 -6.380 16.127 1.00 0.00 C ATOM 974 NZ LYS A 63 28.675 -5.525 15.009 1.00 0.00 N ATOM 0 H LYS A 63 25.604 -10.909 17.371 1.00 0.00 H new ATOM 0 HA LYS A 63 26.687 -9.117 19.446 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.804 -8.681 16.574 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.361 -7.429 17.667 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.586 -8.533 17.792 1.00 0.00 H new ATOM 0 HG3 LYS A 63 28.027 -9.779 16.693 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.305 -8.116 15.447 1.00 0.00 H new ATOM 0 HD3 LYS A 63 27.629 -8.058 14.938 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.224 -6.115 16.412 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.875 -6.190 16.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.620 -4.526 15.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.655 -5.759 14.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.055 -5.685 14.189 1.00 0.00 H new ATOM 988 N VAL A 64 24.408 -8.380 20.092 1.00 0.00 N ATOM 989 CA VAL A 64 23.073 -8.029 20.546 1.00 0.00 C ATOM 990 C VAL A 64 22.714 -6.649 20.015 1.00 0.00 C ATOM 991 O VAL A 64 23.473 -5.681 20.198 1.00 0.00 O ATOM 992 CB VAL A 64 22.987 -8.023 22.098 1.00 0.00 C ATOM 993 CG1 VAL A 64 21.572 -7.730 22.573 1.00 0.00 C ATOM 994 CG2 VAL A 64 23.491 -9.339 22.678 1.00 0.00 C ATOM 0 H VAL A 64 25.154 -8.110 20.733 1.00 0.00 H new ATOM 0 HA VAL A 64 22.373 -8.775 20.170 1.00 0.00 H new ATOM 0 HB VAL A 64 23.632 -7.223 22.460 1.00 0.00 H new ATOM 0 HG11 VAL A 64 21.546 -7.733 23.663 1.00 0.00 H new ATOM 0 HG12 VAL A 64 21.260 -6.753 22.205 1.00 0.00 H new ATOM 0 HG13 VAL A 64 20.895 -8.494 22.192 1.00 0.00 H new ATOM 0 HG21 VAL A 64 23.420 -9.308 23.765 1.00 0.00 H new ATOM 0 HG22 VAL A 64 22.884 -10.160 22.298 1.00 0.00 H new ATOM 0 HG23 VAL A 64 24.530 -9.491 22.386 1.00 0.00 H new ATOM 1004 N LEU A 65 21.597 -6.551 19.340 1.00 0.00 N ATOM 1005 CA LEU A 65 21.186 -5.320 18.758 1.00 0.00 C ATOM 1006 C LEU A 65 20.230 -4.594 19.679 1.00 0.00 C ATOM 1007 O LEU A 65 19.319 -5.208 20.242 1.00 0.00 O ATOM 1008 CB LEU A 65 20.508 -5.574 17.422 1.00 0.00 C ATOM 1009 CG LEU A 65 21.304 -6.341 16.353 1.00 0.00 C ATOM 1010 CD1 LEU A 65 22.682 -5.767 16.129 1.00 0.00 C ATOM 1011 CD2 LEU A 65 21.368 -7.826 16.606 1.00 0.00 C ATOM 0 H LEU A 65 20.954 -7.328 19.184 1.00 0.00 H new ATOM 0 HA LEU A 65 22.070 -4.701 18.603 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.586 -6.123 17.612 1.00 0.00 H new ATOM 0 HB3 LEU A 65 20.223 -4.610 17.001 1.00 0.00 H new ATOM 0 HG LEU A 65 20.739 -6.204 15.431 1.00 0.00 H new ATOM 0 HD11 LEU A 65 23.198 -6.348 15.365 1.00 0.00 H new ATOM 0 HD12 LEU A 65 22.596 -4.731 15.801 1.00 0.00 H new ATOM 0 HD13 LEU A 65 23.249 -5.807 17.059 1.00 0.00 H new ATOM 0 HD21 LEU A 65 21.944 -8.305 15.814 1.00 0.00 H new ATOM 0 HD22 LEU A 65 21.848 -8.011 17.567 1.00 0.00 H new ATOM 0 HD23 LEU A 65 20.358 -8.237 16.620 1.00 0.00 H new ATOM 1023 N GLU A 66 20.428 -3.303 19.824 1.00 0.00 N ATOM 1024 CA GLU A 66 19.579 -2.504 20.685 1.00 0.00 C ATOM 1025 C GLU A 66 18.415 -1.919 19.879 1.00 0.00 C ATOM 1026 O GLU A 66 18.564 -1.611 18.686 1.00 0.00 O ATOM 1027 CB GLU A 66 20.385 -1.400 21.390 1.00 0.00 C ATOM 1028 CG GLU A 66 19.580 -0.597 22.409 1.00 0.00 C ATOM 1029 CD GLU A 66 18.997 -1.474 23.498 1.00 0.00 C ATOM 1030 OE1 GLU A 66 17.893 -2.042 23.290 1.00 0.00 O ATOM 1031 OE2 GLU A 66 19.634 -1.616 24.571 1.00 0.00 O ATOM 0 H GLU A 66 21.170 -2.782 19.357 1.00 0.00 H new ATOM 0 HA GLU A 66 19.168 -3.148 21.462 1.00 0.00 H new ATOM 0 HB2 GLU A 66 21.239 -1.853 21.893 1.00 0.00 H new ATOM 0 HB3 GLU A 66 20.783 -0.718 20.638 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.221 0.161 22.860 1.00 0.00 H new ATOM 0 HG3 GLU A 66 18.774 -0.070 21.899 1.00 0.00 H new ATOM 1038 N ASN A 67 17.282 -1.760 20.551 1.00 0.00 N ATOM 1039 CA ASN A 67 16.001 -1.317 19.967 1.00 0.00 C ATOM 1040 C ASN A 67 16.060 0.056 19.312 1.00 0.00 C ATOM 1041 O ASN A 67 15.364 0.303 18.317 1.00 0.00 O ATOM 1042 CB ASN A 67 14.900 -1.275 21.046 1.00 0.00 C ATOM 1043 CG ASN A 67 14.516 -2.623 21.623 1.00 0.00 C ATOM 1044 OD1 ASN A 67 15.320 -3.547 21.691 1.00 0.00 O ATOM 1045 ND2 ASN A 67 13.283 -2.738 22.049 1.00 0.00 N ATOM 0 H ASN A 67 17.217 -1.939 21.553 1.00 0.00 H new ATOM 0 HA ASN A 67 15.776 -2.050 19.192 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.234 -0.630 21.859 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.010 -0.813 20.618 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.963 -3.618 22.454 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.642 -1.948 21.976 1.00 0.00 H new ATOM 1052 N SER A 68 16.880 0.929 19.857 1.00 0.00 N ATOM 1053 CA SER A 68 16.929 2.327 19.446 1.00 0.00 C ATOM 1054 C SER A 68 17.483 2.561 18.046 1.00 0.00 C ATOM 1055 O SER A 68 17.191 3.584 17.413 1.00 0.00 O ATOM 1056 CB SER A 68 17.679 3.149 20.488 1.00 0.00 C ATOM 1057 OG SER A 68 18.969 2.589 20.743 1.00 0.00 O ATOM 0 H SER A 68 17.537 0.694 20.601 1.00 0.00 H new ATOM 0 HA SER A 68 15.893 2.662 19.387 1.00 0.00 H new ATOM 0 HB2 SER A 68 17.786 4.176 20.139 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.104 3.184 21.413 1.00 0.00 H new ATOM 0 HG SER A 68 19.435 3.132 21.413 1.00 0.00 H new ATOM 1063 N LYS A 69 18.247 1.650 17.564 1.00 0.00 N ATOM 1064 CA LYS A 69 18.864 1.803 16.294 1.00 0.00 C ATOM 1065 C LYS A 69 18.024 1.165 15.195 1.00 0.00 C ATOM 1066 O LYS A 69 17.100 0.370 15.466 1.00 0.00 O ATOM 1067 CB LYS A 69 20.264 1.248 16.328 1.00 0.00 C ATOM 1068 CG LYS A 69 21.191 1.948 17.317 1.00 0.00 C ATOM 1069 CD LYS A 69 22.578 1.323 17.321 1.00 0.00 C ATOM 1070 CE LYS A 69 23.469 1.959 18.364 1.00 0.00 C ATOM 1071 NZ LYS A 69 24.803 1.323 18.423 1.00 0.00 N ATOM 0 H LYS A 69 18.464 0.774 18.039 1.00 0.00 H new ATOM 0 HA LYS A 69 18.931 2.866 16.062 1.00 0.00 H new ATOM 0 HB2 LYS A 69 20.217 0.188 16.579 1.00 0.00 H new ATOM 0 HB3 LYS A 69 20.696 1.320 15.330 1.00 0.00 H new ATOM 0 HG2 LYS A 69 21.268 3.004 17.060 1.00 0.00 H new ATOM 0 HG3 LYS A 69 20.764 1.894 18.318 1.00 0.00 H new ATOM 0 HD2 LYS A 69 22.496 0.253 17.514 1.00 0.00 H new ATOM 0 HD3 LYS A 69 23.032 1.435 16.336 1.00 0.00 H new ATOM 0 HE2 LYS A 69 23.584 3.020 18.143 1.00 0.00 H new ATOM 0 HE3 LYS A 69 22.991 1.887 19.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 25.379 1.791 19.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 24.697 0.316 18.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 25.272 1.414 17.499 1.00 0.00 H new ATOM 1085 N THR A 70 18.334 1.503 13.982 1.00 0.00 N ATOM 1086 CA THR A 70 17.564 1.066 12.860 1.00 0.00 C ATOM 1087 C THR A 70 18.270 -0.125 12.202 1.00 0.00 C ATOM 1088 O THR A 70 19.467 -0.332 12.442 1.00 0.00 O ATOM 1089 CB THR A 70 17.488 2.215 11.847 1.00 0.00 C ATOM 1090 OG1 THR A 70 17.507 3.467 12.558 1.00 0.00 O ATOM 1091 CG2 THR A 70 16.197 2.147 11.089 1.00 0.00 C ATOM 0 H THR A 70 19.131 2.092 13.742 1.00 0.00 H new ATOM 0 HA THR A 70 16.564 0.773 13.181 1.00 0.00 H new ATOM 0 HB THR A 70 18.332 2.136 11.162 1.00 0.00 H new ATOM 0 HG1 THR A 70 18.431 3.697 12.791 1.00 0.00 H new ATOM 0 HG21 THR A 70 16.152 2.967 10.372 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.136 1.197 10.558 1.00 0.00 H new ATOM 0 HG23 THR A 70 15.362 2.228 11.785 1.00 0.00 H new ATOM 1099 N VAL A 71 17.550 -0.898 11.362 1.00 0.00 N ATOM 1100 CA VAL A 71 18.175 -2.023 10.637 1.00 0.00 C ATOM 1101 C VAL A 71 19.295 -1.462 9.772 1.00 0.00 C ATOM 1102 O VAL A 71 20.373 -2.033 9.670 1.00 0.00 O ATOM 1103 CB VAL A 71 17.147 -2.807 9.749 1.00 0.00 C ATOM 1104 CG1 VAL A 71 17.838 -3.905 8.941 1.00 0.00 C ATOM 1105 CG2 VAL A 71 16.057 -3.424 10.615 1.00 0.00 C ATOM 0 H VAL A 71 16.556 -0.768 11.172 1.00 0.00 H new ATOM 0 HA VAL A 71 18.563 -2.736 11.365 1.00 0.00 H new ATOM 0 HB VAL A 71 16.699 -2.094 9.056 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.100 -4.431 8.336 1.00 0.00 H new ATOM 0 HG12 VAL A 71 18.590 -3.459 8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 71 18.318 -4.609 9.620 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.352 -3.964 9.983 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.507 -4.114 11.329 1.00 0.00 H new ATOM 0 HG23 VAL A 71 15.531 -2.636 11.154 1.00 0.00 H new ATOM 1115 N LYS A 72 19.017 -0.301 9.212 1.00 0.00 N ATOM 1116 CA LYS A 72 19.955 0.480 8.447 1.00 0.00 C ATOM 1117 C LYS A 72 21.283 0.726 9.177 1.00 0.00 C ATOM 1118 O LYS A 72 22.347 0.726 8.558 1.00 0.00 O ATOM 1119 CB LYS A 72 19.267 1.798 8.008 1.00 0.00 C ATOM 1120 CG LYS A 72 20.180 2.924 7.555 1.00 0.00 C ATOM 1121 CD LYS A 72 20.649 3.750 8.744 1.00 0.00 C ATOM 1122 CE LYS A 72 21.587 4.860 8.354 1.00 0.00 C ATOM 1123 NZ LYS A 72 21.929 5.698 9.523 1.00 0.00 N ATOM 0 H LYS A 72 18.098 0.135 9.283 1.00 0.00 H new ATOM 0 HA LYS A 72 20.236 -0.092 7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.579 1.569 7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 72 18.665 2.162 8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 72 21.042 2.511 7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 72 19.653 3.564 6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.782 4.175 9.249 1.00 0.00 H new ATOM 0 HD3 LYS A 72 21.146 3.096 9.460 1.00 0.00 H new ATOM 0 HE2 LYS A 72 22.496 4.439 7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.126 5.476 7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 22.884 6.091 9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 21.243 6.475 9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.901 5.118 10.386 1.00 0.00 H new ATOM 1137 N ASP A 73 21.227 0.911 10.476 1.00 0.00 N ATOM 1138 CA ASP A 73 22.400 1.233 11.228 1.00 0.00 C ATOM 1139 C ASP A 73 23.292 0.019 11.430 1.00 0.00 C ATOM 1140 O ASP A 73 24.494 0.160 11.640 1.00 0.00 O ATOM 1141 CB ASP A 73 22.039 1.869 12.571 1.00 0.00 C ATOM 1142 CG ASP A 73 21.297 3.191 12.446 1.00 0.00 C ATOM 1143 OD1 ASP A 73 21.840 4.156 11.850 1.00 0.00 O ATOM 1144 OD2 ASP A 73 20.167 3.300 12.972 1.00 0.00 O ATOM 0 H ASP A 73 20.373 0.842 11.029 1.00 0.00 H new ATOM 0 HA ASP A 73 22.963 1.962 10.646 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.425 1.171 13.139 1.00 0.00 H new ATOM 0 HB3 ASP A 73 22.953 2.029 13.144 1.00 0.00 H new ATOM 1149 N TYR A 74 22.716 -1.169 11.363 1.00 0.00 N ATOM 1150 CA TYR A 74 23.468 -2.388 11.566 1.00 0.00 C ATOM 1151 C TYR A 74 23.650 -3.156 10.254 1.00 0.00 C ATOM 1152 O TYR A 74 24.274 -4.219 10.243 1.00 0.00 O ATOM 1153 CB TYR A 74 22.713 -3.319 12.503 1.00 0.00 C ATOM 1154 CG TYR A 74 22.362 -2.798 13.876 1.00 0.00 C ATOM 1155 CD1 TYR A 74 23.310 -2.717 14.888 1.00 0.00 C ATOM 1156 CD2 TYR A 74 21.065 -2.432 14.170 1.00 0.00 C ATOM 1157 CE1 TYR A 74 22.961 -2.278 16.154 1.00 0.00 C ATOM 1158 CE2 TYR A 74 20.712 -2.006 15.424 1.00 0.00 C ATOM 1159 CZ TYR A 74 21.655 -1.928 16.411 1.00 0.00 C ATOM 1160 OH TYR A 74 21.280 -1.516 17.677 1.00 0.00 O ATOM 0 H TYR A 74 21.725 -1.312 11.168 1.00 0.00 H new ATOM 0 HA TYR A 74 24.435 -2.096 11.977 1.00 0.00 H new ATOM 0 HB2 TYR A 74 21.787 -3.614 12.009 1.00 0.00 H new ATOM 0 HB3 TYR A 74 23.308 -4.223 12.629 1.00 0.00 H new ATOM 0 HD1 TYR A 74 24.332 -3.000 14.685 1.00 0.00 H new ATOM 0 HD2 TYR A 74 20.313 -2.482 13.397 1.00 0.00 H new ATOM 0 HE1 TYR A 74 23.707 -2.211 16.932 1.00 0.00 H new ATOM 0 HE2 TYR A 74 19.688 -1.732 15.633 1.00 0.00 H new ATOM 0 HH TYR A 74 20.317 -1.657 17.795 1.00 0.00 H new ATOM 1170 N ARG A 75 23.108 -2.635 9.165 1.00 0.00 N ATOM 1171 CA ARG A 75 23.060 -3.346 7.926 1.00 0.00 C ATOM 1172 C ARG A 75 24.461 -3.612 7.345 1.00 0.00 C ATOM 1173 O ARG A 75 25.378 -2.784 7.463 1.00 0.00 O ATOM 1174 CB ARG A 75 22.191 -2.580 6.926 1.00 0.00 C ATOM 1175 CG ARG A 75 22.867 -1.394 6.247 1.00 0.00 C ATOM 1176 CD ARG A 75 21.906 -0.614 5.351 1.00 0.00 C ATOM 1177 NE ARG A 75 21.139 -1.470 4.447 1.00 0.00 N ATOM 1178 CZ ARG A 75 21.473 -1.829 3.216 1.00 0.00 C ATOM 1179 NH1 ARG A 75 22.637 -1.463 2.684 1.00 0.00 N ATOM 1180 NH2 ARG A 75 20.613 -2.543 2.515 1.00 0.00 N ATOM 0 H ARG A 75 22.692 -1.704 9.129 1.00 0.00 H new ATOM 0 HA ARG A 75 22.616 -4.322 8.120 1.00 0.00 H new ATOM 0 HB2 ARG A 75 21.855 -3.274 6.156 1.00 0.00 H new ATOM 0 HB3 ARG A 75 21.301 -2.222 7.443 1.00 0.00 H new ATOM 0 HG2 ARG A 75 23.274 -0.727 7.007 1.00 0.00 H new ATOM 0 HG3 ARG A 75 23.708 -1.750 5.651 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.217 -0.046 5.976 1.00 0.00 H new ATOM 0 HD3 ARG A 75 22.473 0.109 4.764 1.00 0.00 H new ATOM 0 HE ARG A 75 20.253 -1.829 4.802 1.00 0.00 H new ATOM 0 HH11 ARG A 75 23.290 -0.896 3.226 1.00 0.00 H new ATOM 0 HH12 ARG A 75 22.876 -1.749 1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.716 -2.806 2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 75 20.845 -2.832 1.565 1.00 0.00 H new ATOM 1306 N VAL A 85 17.744 -14.266 2.863 1.00 0.00 N ATOM 1307 CA VAL A 85 17.063 -14.217 4.127 1.00 0.00 C ATOM 1308 C VAL A 85 18.086 -14.044 5.227 1.00 0.00 C ATOM 1309 O VAL A 85 19.129 -14.709 5.251 1.00 0.00 O ATOM 1310 CB VAL A 85 16.237 -15.503 4.392 1.00 0.00 C ATOM 1311 CG1 VAL A 85 15.505 -15.424 5.726 1.00 0.00 C ATOM 1312 CG2 VAL A 85 15.260 -15.763 3.259 1.00 0.00 C ATOM 0 HA VAL A 85 16.369 -13.377 4.106 1.00 0.00 H new ATOM 0 HB VAL A 85 16.934 -16.340 4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 85 14.935 -16.340 5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 85 16.229 -15.304 6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 85 14.826 -14.571 5.719 1.00 0.00 H new ATOM 0 HG21 VAL A 85 14.693 -16.670 3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 85 14.575 -14.920 3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.810 -15.886 2.326 1.00 0.00 H new ATOM 1322 N THR A 86 17.807 -13.147 6.099 1.00 0.00 N ATOM 1323 CA THR A 86 18.673 -12.842 7.169 1.00 0.00 C ATOM 1324 C THR A 86 18.143 -13.533 8.421 1.00 0.00 C ATOM 1325 O THR A 86 16.996 -13.341 8.807 1.00 0.00 O ATOM 1326 CB THR A 86 18.717 -11.320 7.336 1.00 0.00 C ATOM 1327 OG1 THR A 86 19.000 -10.738 6.043 1.00 0.00 O ATOM 1328 CG2 THR A 86 19.805 -10.915 8.299 1.00 0.00 C ATOM 0 H THR A 86 16.950 -12.594 6.086 1.00 0.00 H new ATOM 0 HA THR A 86 19.688 -13.195 6.983 1.00 0.00 H new ATOM 0 HB THR A 86 17.761 -10.973 7.729 1.00 0.00 H new ATOM 0 HG1 THR A 86 19.032 -9.762 6.124 1.00 0.00 H new ATOM 0 HG21 THR A 86 19.816 -9.830 8.400 1.00 0.00 H new ATOM 0 HG22 THR A 86 19.617 -11.369 9.272 1.00 0.00 H new ATOM 0 HG23 THR A 86 20.770 -11.254 7.921 1.00 0.00 H new ATOM 1336 N THR A 87 18.943 -14.369 9.005 1.00 0.00 N ATOM 1337 CA THR A 87 18.521 -15.121 10.142 1.00 0.00 C ATOM 1338 C THR A 87 19.123 -14.543 11.421 1.00 0.00 C ATOM 1339 O THR A 87 20.344 -14.524 11.598 1.00 0.00 O ATOM 1340 CB THR A 87 18.952 -16.587 9.969 1.00 0.00 C ATOM 1341 OG1 THR A 87 18.451 -17.061 8.704 1.00 0.00 O ATOM 1342 CG2 THR A 87 18.391 -17.458 11.083 1.00 0.00 C ATOM 0 H THR A 87 19.902 -14.548 8.708 1.00 0.00 H new ATOM 0 HA THR A 87 17.435 -15.067 10.222 1.00 0.00 H new ATOM 0 HB THR A 87 20.040 -16.644 10.005 1.00 0.00 H new ATOM 0 HG1 THR A 87 18.718 -17.995 8.576 1.00 0.00 H new ATOM 0 HG21 THR A 87 18.712 -18.489 10.935 1.00 0.00 H new ATOM 0 HG22 THR A 87 18.757 -17.099 12.045 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.302 -17.411 11.068 1.00 0.00 H new ATOM 1350 N MET A 88 18.267 -14.086 12.294 1.00 0.00 N ATOM 1351 CA MET A 88 18.676 -13.556 13.573 1.00 0.00 C ATOM 1352 C MET A 88 18.564 -14.620 14.611 1.00 0.00 C ATOM 1353 O MET A 88 17.555 -15.335 14.678 1.00 0.00 O ATOM 1354 CB MET A 88 17.832 -12.341 13.963 1.00 0.00 C ATOM 1355 CG MET A 88 18.335 -10.941 13.525 1.00 0.00 C ATOM 1356 SD MET A 88 18.785 -10.720 11.781 1.00 0.00 S ATOM 1357 CE MET A 88 20.451 -11.394 11.735 1.00 0.00 C ATOM 0 H MET A 88 17.259 -14.069 12.140 1.00 0.00 H new ATOM 0 HA MET A 88 19.713 -13.229 13.499 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.832 -12.482 13.552 1.00 0.00 H new ATOM 0 HB3 MET A 88 17.732 -12.337 15.048 1.00 0.00 H new ATOM 0 HG2 MET A 88 17.560 -10.214 13.767 1.00 0.00 H new ATOM 0 HG3 MET A 88 19.206 -10.692 14.131 1.00 0.00 H new ATOM 0 HE1 MET A 88 21.145 -10.626 11.394 1.00 0.00 H new ATOM 0 HE2 MET A 88 20.737 -11.724 12.733 1.00 0.00 H new ATOM 0 HE3 MET A 88 20.482 -12.241 11.050 1.00 0.00 H new ATOM 1367 N HIS A 89 19.583 -14.739 15.403 1.00 0.00 N ATOM 1368 CA HIS A 89 19.627 -15.737 16.413 1.00 0.00 C ATOM 1369 C HIS A 89 18.993 -15.168 17.653 1.00 0.00 C ATOM 1370 O HIS A 89 19.400 -14.128 18.153 1.00 0.00 O ATOM 1371 CB HIS A 89 21.075 -16.145 16.671 1.00 0.00 C ATOM 1372 CG HIS A 89 21.241 -17.360 17.532 1.00 0.00 C ATOM 1373 ND1 HIS A 89 22.044 -17.390 18.643 1.00 0.00 N ATOM 1374 CD2 HIS A 89 20.755 -18.612 17.391 1.00 0.00 C ATOM 1375 CE1 HIS A 89 22.046 -18.602 19.146 1.00 0.00 C ATOM 1376 NE2 HIS A 89 21.272 -19.364 18.405 1.00 0.00 N ATOM 0 H HIS A 89 20.409 -14.142 15.363 1.00 0.00 H new ATOM 0 HA HIS A 89 19.083 -16.629 16.103 1.00 0.00 H new ATOM 0 HB2 HIS A 89 21.563 -16.326 15.713 1.00 0.00 H new ATOM 0 HB3 HIS A 89 21.595 -15.310 17.141 1.00 0.00 H new ATOM 0 HD1 HIS A 89 22.559 -16.594 19.020 1.00 0.00 H new ATOM 0 HD2 HIS A 89 20.082 -18.954 16.619 1.00 0.00 H new ATOM 0 HE1 HIS A 89 22.592 -18.920 20.022 1.00 0.00 H new ATOM 1385 N VAL A 90 18.007 -15.830 18.122 1.00 0.00 N ATOM 1386 CA VAL A 90 17.251 -15.375 19.247 1.00 0.00 C ATOM 1387 C VAL A 90 17.551 -16.201 20.460 1.00 0.00 C ATOM 1388 O VAL A 90 17.571 -17.430 20.421 1.00 0.00 O ATOM 1389 CB VAL A 90 15.725 -15.377 18.944 1.00 0.00 C ATOM 1390 CG1 VAL A 90 14.921 -14.907 20.139 1.00 0.00 C ATOM 1391 CG2 VAL A 90 15.416 -14.511 17.729 1.00 0.00 C ATOM 0 H VAL A 90 17.688 -16.719 17.737 1.00 0.00 H new ATOM 0 HA VAL A 90 17.548 -14.346 19.450 1.00 0.00 H new ATOM 0 HB VAL A 90 15.436 -16.405 18.727 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.860 -14.921 19.892 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.105 -15.569 20.985 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.219 -13.892 20.401 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.344 -14.526 17.535 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.735 -13.487 17.922 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.948 -14.900 16.860 1.00 0.00 H new ATOM 1401 N ILE A 91 17.807 -15.514 21.509 1.00 0.00 N ATOM 1402 CA ILE A 91 18.073 -16.088 22.777 1.00 0.00 C ATOM 1403 C ILE A 91 17.046 -15.558 23.750 1.00 0.00 C ATOM 1404 O ILE A 91 16.792 -14.349 23.810 1.00 0.00 O ATOM 1405 CB ILE A 91 19.518 -15.773 23.226 1.00 0.00 C ATOM 1406 CG1 ILE A 91 20.529 -16.530 22.333 1.00 0.00 C ATOM 1407 CG2 ILE A 91 19.740 -16.085 24.705 1.00 0.00 C ATOM 1408 CD1 ILE A 91 21.985 -16.317 22.703 1.00 0.00 C ATOM 0 H ILE A 91 17.839 -14.494 21.510 1.00 0.00 H new ATOM 0 HA ILE A 91 17.997 -17.174 22.732 1.00 0.00 H new ATOM 0 HB ILE A 91 19.680 -14.702 23.106 1.00 0.00 H new ATOM 0 HG12 ILE A 91 20.308 -17.596 22.381 1.00 0.00 H new ATOM 0 HG13 ILE A 91 20.382 -16.220 21.298 1.00 0.00 H new ATOM 0 HG21 ILE A 91 20.769 -15.848 24.976 1.00 0.00 H new ATOM 0 HG22 ILE A 91 19.058 -15.486 25.309 1.00 0.00 H new ATOM 0 HG23 ILE A 91 19.551 -17.143 24.886 1.00 0.00 H new ATOM 0 HD11 ILE A 91 22.620 -16.886 22.024 1.00 0.00 H new ATOM 0 HD12 ILE A 91 22.229 -15.257 22.626 1.00 0.00 H new ATOM 0 HD13 ILE A 91 22.154 -16.655 23.726 1.00 0.00 H new ATOM 1420 N ILE A 92 16.443 -16.448 24.473 1.00 0.00 N ATOM 1421 CA ILE A 92 15.360 -16.102 25.340 1.00 0.00 C ATOM 1422 C ILE A 92 15.798 -16.098 26.796 1.00 0.00 C ATOM 1423 O ILE A 92 16.447 -17.035 27.256 1.00 0.00 O ATOM 1424 CB ILE A 92 14.192 -17.120 25.176 1.00 0.00 C ATOM 1425 CG1 ILE A 92 13.689 -17.172 23.713 1.00 0.00 C ATOM 1426 CG2 ILE A 92 13.048 -16.809 26.130 1.00 0.00 C ATOM 1427 CD1 ILE A 92 13.154 -15.857 23.176 1.00 0.00 C ATOM 0 H ILE A 92 16.688 -17.438 24.479 1.00 0.00 H new ATOM 0 HA ILE A 92 15.028 -15.101 25.064 1.00 0.00 H new ATOM 0 HB ILE A 92 14.583 -18.105 25.431 1.00 0.00 H new ATOM 0 HG12 ILE A 92 14.508 -17.503 23.074 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.904 -17.924 23.640 1.00 0.00 H new ATOM 0 HG21 ILE A 92 12.249 -17.538 25.990 1.00 0.00 H new ATOM 0 HG22 ILE A 92 13.408 -16.858 27.158 1.00 0.00 H new ATOM 0 HG23 ILE A 92 12.666 -15.809 25.926 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.825 -15.992 22.145 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.312 -15.531 23.786 1.00 0.00 H new ATOM 0 HD13 ILE A 92 13.940 -15.103 23.211 1.00 0.00 H new ATOM 1439 N GLN A 93 15.483 -15.037 27.494 1.00 0.00 N ATOM 1440 CA GLN A 93 15.649 -15.005 28.921 1.00 0.00 C ATOM 1441 C GLN A 93 14.284 -14.881 29.517 1.00 0.00 C ATOM 1442 O GLN A 93 13.654 -13.843 29.406 1.00 0.00 O ATOM 1443 CB GLN A 93 16.498 -13.813 29.385 1.00 0.00 C ATOM 1444 CG GLN A 93 17.932 -13.822 28.915 1.00 0.00 C ATOM 1445 CD GLN A 93 18.731 -12.647 29.456 1.00 0.00 C ATOM 1446 OE1 GLN A 93 18.203 -11.558 29.699 1.00 0.00 O ATOM 1447 NE2 GLN A 93 20.000 -12.856 29.662 1.00 0.00 N ATOM 0 H GLN A 93 15.107 -14.178 27.092 1.00 0.00 H new ATOM 0 HA GLN A 93 16.164 -15.912 29.237 1.00 0.00 H new ATOM 0 HB2 GLN A 93 16.025 -12.894 29.039 1.00 0.00 H new ATOM 0 HB3 GLN A 93 16.490 -13.784 30.475 1.00 0.00 H new ATOM 0 HG2 GLN A 93 18.406 -14.753 29.225 1.00 0.00 H new ATOM 0 HG3 GLN A 93 17.954 -13.801 27.825 1.00 0.00 H new ATOM 0 HE21 GLN A 93 20.408 -13.767 29.451 1.00 0.00 H new ATOM 0 HE22 GLN A 93 20.586 -12.109 30.034 1.00 0.00 H new ATOM 1456 N ALA A 94 13.818 -15.921 30.123 1.00 0.00 N ATOM 1457 CA ALA A 94 12.531 -15.892 30.748 1.00 0.00 C ATOM 1458 C ALA A 94 12.707 -15.701 32.228 1.00 0.00 C ATOM 1459 O ALA A 94 13.527 -16.405 32.851 1.00 0.00 O ATOM 1460 CB ALA A 94 11.758 -17.177 30.461 1.00 0.00 C ATOM 0 H ALA A 94 14.311 -16.811 30.201 1.00 0.00 H new ATOM 0 HA ALA A 94 11.954 -15.061 30.341 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.783 -17.131 30.946 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.623 -17.288 29.385 1.00 0.00 H new ATOM 0 HB3 ALA A 94 12.316 -18.031 30.846 1.00 0.00 H new