USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 620 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 59 ASN : amide:sc= 0.174 K(o=-1.4,f=-14!) USER MOD Set 1.2: A 62 ASN : amide:sc= -1.59 K(o=-1.4,f=-5.8!) USER MOD Set 2.1: A 47 SER OG : rot 105:sc= 0.877 USER MOD Set 2.2: A 49 HIS : no HE2:sc= -0.401 K(o=0.48,f=-2.1) USER MOD Set 3.1: A 16 SER OG : rot 180:sc= -0.801 USER MOD Set 3.2: A 56 GLN : amide:sc= 1.47 K(o=0.67,f=-3.6!) USER MOD Single : A 7 ASN : amide:sc= -0.527 K(o=-0.53,f=-3.4!) USER MOD Single : A 8 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0273) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc=-0.00645 USER MOD Single : A 14 MET CE :methyl -179:sc= -1.24 (180deg=-1.25) USER MOD Single : A 15 ASN : amide:sc= 1.13 K(o=1.1,f=-3.2!) USER MOD Single : A 22 ASN : amide:sc= 0.7 K(o=0.7,f=-0.073) USER MOD Single : A 24 ASN : amide:sc= -2.78! C(o=-2.8!,f=-4!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00223 USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= 0.94 (180deg=0.748) USER MOD Single : A 30 LYS NZ :NH3+ 151:sc= -0.15 (180deg=-0.571) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -36:sc= 0.407 USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 2.44 (180deg=2.37) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.101) USER MOD Single : A 46 CYS SG : rot 29:sc= -0.177 USER MOD Single : A 50 LYS NZ :NH3+ 165:sc= -0.0382 (180deg=-0.302) USER MOD Single : A 57 TYR OH : rot -17:sc= 1.04 USER MOD Single : A 74 MET CE :methyl -142:sc= -0.109 (180deg=-1.12) USER MOD Single : A 78 GLN : amide:sc= -2.24 X(o=-2.2,f=-1.9) USER MOD Single : A 83 ASN : amide:sc= 0.606 K(o=0.61,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 7 -4.360 11.966 6.490 1.00 0.00 N ATOM 68 CA ASN A 7 -4.854 11.893 7.867 1.00 0.00 C ATOM 69 C ASN A 7 -5.580 13.147 8.372 1.00 0.00 C ATOM 70 O ASN A 7 -5.747 13.309 9.581 1.00 0.00 O ATOM 71 CB ASN A 7 -3.717 11.476 8.800 1.00 0.00 C ATOM 72 CG ASN A 7 -2.665 12.559 8.986 1.00 0.00 C ATOM 73 OD1 ASN A 7 -2.822 13.692 8.543 1.00 0.00 O ATOM 74 ND2 ASN A 7 -1.573 12.213 9.657 1.00 0.00 N ATOM 0 HA ASN A 7 -5.633 11.131 7.868 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.132 11.212 9.772 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.240 10.580 8.403 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.834 12.898 9.817 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.473 11.262 10.013 1.00 0.00 H new ATOM 81 N LYS A 8 -6.014 14.039 7.474 1.00 0.00 N ATOM 82 CA LYS A 8 -6.745 15.241 7.870 1.00 0.00 C ATOM 83 C LYS A 8 -8.124 14.865 8.419 1.00 0.00 C ATOM 84 O LYS A 8 -8.571 13.732 8.262 1.00 0.00 O ATOM 85 CB LYS A 8 -6.859 16.208 6.684 1.00 0.00 C ATOM 86 CG LYS A 8 -5.773 17.291 6.727 1.00 0.00 C ATOM 87 CD LYS A 8 -4.354 16.725 6.837 1.00 0.00 C ATOM 88 CE LYS A 8 -4.039 15.770 5.689 1.00 0.00 C ATOM 89 NZ LYS A 8 -3.987 16.480 4.395 1.00 0.00 N ATOM 0 H LYS A 8 -5.870 13.948 6.468 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.195 15.748 8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.780 15.650 5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.842 16.678 6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.844 17.902 5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.960 17.950 7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.634 17.544 6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.243 16.202 7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.084 15.279 5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.797 14.988 5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.672 15.824 3.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.933 16.842 4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.319 17.275 4.462 1.00 0.00 H new ATOM 103 N THR A 9 -8.796 15.818 9.065 1.00 0.00 N ATOM 104 CA THR A 9 -10.076 15.566 9.722 1.00 0.00 C ATOM 105 C THR A 9 -11.128 16.609 9.341 1.00 0.00 C ATOM 106 O THR A 9 -12.097 16.811 10.072 1.00 0.00 O ATOM 107 CB THR A 9 -9.887 15.473 11.240 1.00 0.00 C ATOM 108 OG1 THR A 9 -9.283 16.654 11.721 1.00 0.00 O ATOM 109 CG2 THR A 9 -9.002 14.278 11.594 1.00 0.00 C ATOM 0 H THR A 9 -8.470 16.781 9.147 1.00 0.00 H new ATOM 0 HA THR A 9 -10.453 14.606 9.369 1.00 0.00 H new ATOM 0 HB THR A 9 -10.865 15.345 11.703 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.166 16.590 12.692 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.877 14.225 12.676 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.470 13.360 11.238 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.027 14.395 11.121 1.00 0.00 H new ATOM 117 N ASP A 10 -10.944 17.272 8.196 1.00 0.00 N ATOM 118 CA ASP A 10 -11.877 18.281 7.715 1.00 0.00 C ATOM 119 C ASP A 10 -13.216 17.641 7.340 1.00 0.00 C ATOM 120 O ASP A 10 -13.263 16.462 6.999 1.00 0.00 O ATOM 121 CB ASP A 10 -11.258 19.009 6.520 1.00 0.00 C ATOM 122 CG ASP A 10 -9.998 19.765 6.932 1.00 0.00 C ATOM 123 OD1 ASP A 10 -10.140 20.920 7.387 1.00 0.00 O ATOM 124 OD2 ASP A 10 -8.902 19.179 6.783 1.00 0.00 O ATOM 0 H ASP A 10 -10.144 17.121 7.581 1.00 0.00 H new ATOM 0 HA ASP A 10 -12.071 19.004 8.507 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.015 18.290 5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.983 19.706 6.099 1.00 0.00 H new ATOM 129 N PRO A 11 -14.307 18.415 7.395 1.00 0.00 N ATOM 130 CA PRO A 11 -15.665 17.933 7.170 1.00 0.00 C ATOM 131 C PRO A 11 -15.904 17.457 5.739 1.00 0.00 C ATOM 132 O PRO A 11 -16.971 16.920 5.447 1.00 0.00 O ATOM 133 CB PRO A 11 -16.573 19.110 7.520 1.00 0.00 C ATOM 134 CG PRO A 11 -15.691 20.329 7.269 1.00 0.00 C ATOM 135 CD PRO A 11 -14.319 19.832 7.708 1.00 0.00 C ATOM 0 HA PRO A 11 -15.865 17.056 7.785 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.467 19.126 6.896 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.908 19.064 8.556 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.699 20.628 6.221 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -16.016 21.193 7.849 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.523 20.358 7.181 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.162 20.001 8.773 1.00 0.00 H new ATOM 143 N ARG A 12 -14.934 17.645 4.838 1.00 0.00 N ATOM 144 CA ARG A 12 -15.025 17.148 3.468 1.00 0.00 C ATOM 145 C ARG A 12 -13.884 16.190 3.148 1.00 0.00 C ATOM 146 O ARG A 12 -13.953 15.461 2.161 1.00 0.00 O ATOM 147 CB ARG A 12 -15.099 18.333 2.494 1.00 0.00 C ATOM 148 CG ARG A 12 -13.817 19.173 2.446 1.00 0.00 C ATOM 149 CD ARG A 12 -12.774 18.586 1.489 1.00 0.00 C ATOM 150 NE ARG A 12 -11.544 19.386 1.488 1.00 0.00 N ATOM 151 CZ ARG A 12 -11.350 20.471 0.734 1.00 0.00 C ATOM 152 NH1 ARG A 12 -12.293 20.912 -0.095 1.00 0.00 N ATOM 153 NH2 ARG A 12 -10.198 21.128 0.806 1.00 0.00 N ATOM 0 H ARG A 12 -14.068 18.145 5.040 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.941 16.568 3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.314 17.957 1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.933 18.975 2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.062 20.189 2.135 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.391 19.240 3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.544 17.561 1.782 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.185 18.545 0.480 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.786 19.094 2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.183 20.419 -0.163 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.125 21.743 -0.663 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.464 20.804 1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.047 21.957 0.231 1.00 0.00 H new ATOM 167 N SER A 13 -12.833 16.179 3.976 1.00 0.00 N ATOM 168 CA SER A 13 -11.691 15.296 3.778 1.00 0.00 C ATOM 169 C SER A 13 -11.918 13.968 4.489 1.00 0.00 C ATOM 170 O SER A 13 -11.259 12.978 4.184 1.00 0.00 O ATOM 171 CB SER A 13 -10.416 15.973 4.272 1.00 0.00 C ATOM 172 OG SER A 13 -10.231 17.191 3.580 1.00 0.00 O ATOM 0 H SER A 13 -12.756 16.781 4.796 1.00 0.00 H new ATOM 0 HA SER A 13 -11.579 15.091 2.713 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.482 16.158 5.344 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.559 15.318 4.113 1.00 0.00 H new ATOM 0 HG SER A 13 -9.413 17.627 3.898 1.00 0.00 H new ATOM 178 N MET A 14 -12.857 13.939 5.439 1.00 0.00 N ATOM 179 CA MET A 14 -13.241 12.725 6.147 1.00 0.00 C ATOM 180 C MET A 14 -14.133 11.837 5.280 1.00 0.00 C ATOM 181 O MET A 14 -14.384 10.687 5.632 1.00 0.00 O ATOM 182 CB MET A 14 -13.966 13.121 7.436 1.00 0.00 C ATOM 183 CG MET A 14 -12.962 13.543 8.508 1.00 0.00 C ATOM 184 SD MET A 14 -12.538 12.250 9.709 1.00 0.00 S ATOM 185 CE MET A 14 -12.110 10.869 8.614 1.00 0.00 C ATOM 0 H MET A 14 -13.373 14.767 5.737 1.00 0.00 H new ATOM 0 HA MET A 14 -12.347 12.149 6.385 1.00 0.00 H new ATOM 0 HB2 MET A 14 -14.657 13.940 7.235 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.562 12.283 7.797 1.00 0.00 H new ATOM 0 HG2 MET A 14 -12.048 13.877 8.017 1.00 0.00 H new ATOM 0 HG3 MET A 14 -13.366 14.400 9.046 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.845 9.998 9.213 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.964 10.628 7.981 1.00 0.00 H new ATOM 0 HE3 MET A 14 -11.263 11.150 7.988 1.00 0.00 H new ATOM 195 N ASN A 15 -14.613 12.365 4.146 1.00 0.00 N ATOM 196 CA ASN A 15 -15.491 11.639 3.243 1.00 0.00 C ATOM 197 C ASN A 15 -14.961 11.642 1.807 1.00 0.00 C ATOM 198 O ASN A 15 -15.581 11.047 0.930 1.00 0.00 O ATOM 199 CB ASN A 15 -16.916 12.192 3.349 1.00 0.00 C ATOM 200 CG ASN A 15 -16.953 13.707 3.456 1.00 0.00 C ATOM 201 OD1 ASN A 15 -16.995 14.410 2.455 1.00 0.00 O ATOM 202 ND2 ASN A 15 -16.935 14.211 4.687 1.00 0.00 N ATOM 0 H ASN A 15 -14.397 13.312 3.836 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.516 10.592 3.544 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.488 11.880 2.475 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.405 11.759 4.221 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.956 15.221 4.825 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.900 13.587 5.493 1.00 0.00 H new ATOM 209 N SER A 16 -13.821 12.299 1.563 1.00 0.00 N ATOM 210 CA SER A 16 -13.141 12.258 0.272 1.00 0.00 C ATOM 211 C SER A 16 -11.979 11.267 0.326 1.00 0.00 C ATOM 212 O SER A 16 -11.140 11.230 -0.572 1.00 0.00 O ATOM 213 CB SER A 16 -12.665 13.655 -0.118 1.00 0.00 C ATOM 214 OG SER A 16 -11.626 14.064 0.739 1.00 0.00 O ATOM 0 H SER A 16 -13.347 12.874 2.259 1.00 0.00 H new ATOM 0 HA SER A 16 -13.839 11.919 -0.493 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.317 13.655 -1.151 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.494 14.360 -0.061 1.00 0.00 H new ATOM 0 HG SER A 16 -11.324 14.960 0.482 1.00 0.00 H new ATOM 220 N ARG A 17 -11.940 10.464 1.393 1.00 0.00 N ATOM 221 CA ARG A 17 -10.866 9.523 1.667 1.00 0.00 C ATOM 222 C ARG A 17 -11.361 8.086 1.578 1.00 0.00 C ATOM 223 O ARG A 17 -12.551 7.821 1.740 1.00 0.00 O ATOM 224 CB ARG A 17 -10.334 9.848 3.057 1.00 0.00 C ATOM 225 CG ARG A 17 -9.118 9.006 3.436 1.00 0.00 C ATOM 226 CD ARG A 17 -8.618 9.484 4.793 1.00 0.00 C ATOM 227 NE ARG A 17 -8.394 10.929 4.749 1.00 0.00 N ATOM 228 CZ ARG A 17 -8.530 11.756 5.782 1.00 0.00 C ATOM 229 NH1 ARG A 17 -8.824 11.304 6.998 1.00 0.00 N ATOM 230 NH2 ARG A 17 -8.369 13.059 5.588 1.00 0.00 N ATOM 0 H ARG A 17 -12.673 10.455 2.102 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.071 9.616 0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.067 10.904 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.124 9.688 3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.384 7.950 3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.335 9.107 2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.346 9.242 5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.693 8.970 5.053 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.111 11.334 3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.950 10.304 7.154 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.923 11.958 7.775 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.145 13.412 4.658 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.470 13.707 6.369 1.00 0.00 H new ATOM 244 N VAL A 18 -10.437 7.161 1.316 1.00 0.00 N ATOM 245 CA VAL A 18 -10.738 5.745 1.205 1.00 0.00 C ATOM 246 C VAL A 18 -9.903 4.962 2.207 1.00 0.00 C ATOM 247 O VAL A 18 -8.683 5.111 2.248 1.00 0.00 O ATOM 248 CB VAL A 18 -10.432 5.254 -0.211 1.00 0.00 C ATOM 249 CG1 VAL A 18 -10.896 3.812 -0.383 1.00 0.00 C ATOM 250 CG2 VAL A 18 -11.115 6.121 -1.264 1.00 0.00 C ATOM 0 H VAL A 18 -9.451 7.382 1.175 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.796 5.591 1.416 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.353 5.318 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.672 3.476 -1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.378 3.175 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.971 3.753 -0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.875 5.743 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.194 6.092 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.764 7.149 -1.173 1.00 0.00 H new ATOM 260 N PHE A 19 -10.570 4.130 3.007 1.00 0.00 N ATOM 261 CA PHE A 19 -9.917 3.197 3.907 1.00 0.00 C ATOM 262 C PHE A 19 -9.845 1.847 3.197 1.00 0.00 C ATOM 263 O PHE A 19 -10.825 1.427 2.586 1.00 0.00 O ATOM 264 CB PHE A 19 -10.716 3.116 5.210 1.00 0.00 C ATOM 265 CG PHE A 19 -10.271 2.005 6.133 1.00 0.00 C ATOM 266 CD1 PHE A 19 -8.920 1.865 6.479 1.00 0.00 C ATOM 267 CD2 PHE A 19 -11.221 1.111 6.647 1.00 0.00 C ATOM 268 CE1 PHE A 19 -8.518 0.825 7.331 1.00 0.00 C ATOM 269 CE2 PHE A 19 -10.818 0.079 7.504 1.00 0.00 C ATOM 270 CZ PHE A 19 -9.467 -0.071 7.845 1.00 0.00 C ATOM 0 H PHE A 19 -11.589 4.089 3.044 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.907 3.518 4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.632 4.067 5.736 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.770 2.976 4.970 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.188 2.558 6.090 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.263 1.218 6.382 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.476 0.714 7.592 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.552 -0.605 7.904 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.158 -0.872 8.500 1.00 0.00 H new ATOM 280 N ILE A 20 -8.702 1.161 3.267 1.00 0.00 N ATOM 281 CA ILE A 20 -8.510 -0.114 2.581 1.00 0.00 C ATOM 282 C ILE A 20 -7.948 -1.125 3.575 1.00 0.00 C ATOM 283 O ILE A 20 -6.739 -1.170 3.799 1.00 0.00 O ATOM 284 CB ILE A 20 -7.560 0.062 1.390 1.00 0.00 C ATOM 285 CG1 ILE A 20 -8.050 1.180 0.461 1.00 0.00 C ATOM 286 CG2 ILE A 20 -7.447 -1.261 0.623 1.00 0.00 C ATOM 287 CD1 ILE A 20 -6.969 1.580 -0.545 1.00 0.00 C ATOM 0 H ILE A 20 -7.889 1.473 3.798 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.464 -0.476 2.197 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.576 0.345 1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.941 0.849 -0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.338 2.048 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.772 -1.134 -0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.058 -2.034 1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.431 -1.557 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.347 2.374 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.088 1.935 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.701 0.716 -1.154 1.00 0.00 H new ATOM 299 N GLY A 21 -8.824 -1.932 4.170 1.00 0.00 N ATOM 300 CA GLY A 21 -8.440 -2.917 5.171 1.00 0.00 C ATOM 301 C GLY A 21 -8.235 -4.309 4.578 1.00 0.00 C ATOM 302 O GLY A 21 -8.600 -4.561 3.431 1.00 0.00 O ATOM 0 H GLY A 21 -9.824 -1.919 3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.520 -2.595 5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.209 -2.964 5.942 1.00 0.00 H new ATOM 306 N ASN A 22 -7.652 -5.212 5.375 1.00 0.00 N ATOM 307 CA ASN A 22 -7.398 -6.601 5.009 1.00 0.00 C ATOM 308 C ASN A 22 -6.633 -6.727 3.683 1.00 0.00 C ATOM 309 O ASN A 22 -6.742 -7.734 2.989 1.00 0.00 O ATOM 310 CB ASN A 22 -8.715 -7.388 5.032 1.00 0.00 C ATOM 311 CG ASN A 22 -8.487 -8.889 5.132 1.00 0.00 C ATOM 312 OD1 ASN A 22 -8.257 -9.411 6.218 1.00 0.00 O ATOM 313 ND2 ASN A 22 -8.550 -9.598 4.009 1.00 0.00 N ATOM 0 H ASN A 22 -7.337 -4.985 6.318 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.734 -7.045 5.751 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.319 -7.057 5.877 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.283 -7.168 4.128 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.405 -10.607 4.034 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.743 -9.133 3.122 1.00 0.00 H new ATOM 320 N LEU A 23 -5.858 -5.697 3.326 1.00 0.00 N ATOM 321 CA LEU A 23 -5.152 -5.642 2.057 1.00 0.00 C ATOM 322 C LEU A 23 -4.056 -6.712 1.976 1.00 0.00 C ATOM 323 O LEU A 23 -3.502 -7.124 2.994 1.00 0.00 O ATOM 324 CB LEU A 23 -4.613 -4.218 1.885 1.00 0.00 C ATOM 325 CG LEU A 23 -3.868 -3.985 0.567 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.769 -4.235 -0.641 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.388 -2.538 0.522 1.00 0.00 C ATOM 0 H LEU A 23 -5.707 -4.879 3.916 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.828 -5.868 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.445 -3.516 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.942 -3.993 2.714 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.030 -4.681 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.206 -4.060 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.123 -5.266 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.622 -3.558 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.856 -2.360 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.246 -1.868 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.719 -2.350 1.362 1.00 0.00 H new ATOM 339 N ASN A 24 -3.748 -7.156 0.750 1.00 0.00 N ATOM 340 CA ASN A 24 -2.715 -8.137 0.442 1.00 0.00 C ATOM 341 C ASN A 24 -1.310 -7.540 0.577 1.00 0.00 C ATOM 342 O ASN A 24 -0.461 -7.718 -0.293 1.00 0.00 O ATOM 343 CB ASN A 24 -2.963 -8.646 -0.976 1.00 0.00 C ATOM 344 CG ASN A 24 -2.967 -7.495 -1.974 1.00 0.00 C ATOM 345 OD1 ASN A 24 -4.012 -6.925 -2.263 1.00 0.00 O ATOM 346 ND2 ASN A 24 -1.798 -7.152 -2.497 1.00 0.00 N ATOM 0 H ASN A 24 -4.235 -6.824 -0.083 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.767 -8.961 1.153 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.191 -9.366 -1.248 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.917 -9.171 -1.016 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.745 -6.386 -3.168 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.952 -7.654 -2.228 1.00 0.00 H new ATOM 353 N THR A 25 -1.062 -6.825 1.670 1.00 0.00 N ATOM 354 CA THR A 25 0.130 -6.018 1.868 1.00 0.00 C ATOM 355 C THR A 25 1.451 -6.779 1.770 1.00 0.00 C ATOM 356 O THR A 25 2.504 -6.143 1.743 1.00 0.00 O ATOM 357 CB THR A 25 0.037 -5.367 3.241 1.00 0.00 C ATOM 358 OG1 THR A 25 -0.214 -6.375 4.196 1.00 0.00 O ATOM 359 CG2 THR A 25 -1.114 -4.367 3.299 1.00 0.00 C ATOM 0 H THR A 25 -1.704 -6.792 2.462 1.00 0.00 H new ATOM 0 HA THR A 25 0.149 -5.292 1.055 1.00 0.00 H new ATOM 0 HB THR A 25 0.972 -4.845 3.442 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.275 -5.973 5.088 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.156 -3.918 4.291 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.956 -3.587 2.554 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.053 -4.881 3.093 1.00 0.00 H new ATOM 367 N LEU A 26 1.437 -8.117 1.712 1.00 0.00 N ATOM 368 CA LEU A 26 2.685 -8.861 1.558 1.00 0.00 C ATOM 369 C LEU A 26 3.105 -8.889 0.089 1.00 0.00 C ATOM 370 O LEU A 26 4.188 -9.372 -0.241 1.00 0.00 O ATOM 371 CB LEU A 26 2.568 -10.283 2.118 1.00 0.00 C ATOM 372 CG LEU A 26 2.005 -10.340 3.540 1.00 0.00 C ATOM 373 CD1 LEU A 26 2.438 -11.623 4.241 1.00 0.00 C ATOM 374 CD2 LEU A 26 2.505 -9.195 4.408 1.00 0.00 C ATOM 0 H LEU A 26 0.596 -8.691 1.768 1.00 0.00 H new ATOM 0 HA LEU A 26 3.455 -8.348 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.929 -10.872 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.553 -10.750 2.108 1.00 0.00 H new ATOM 0 HG LEU A 26 0.922 -10.283 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.027 -11.643 5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.071 -12.484 3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.526 -11.660 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.076 -9.281 5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.592 -9.237 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.205 -8.245 3.965 1.00 0.00 H new ATOM 386 N VAL A 27 2.245 -8.363 -0.787 1.00 0.00 N ATOM 387 CA VAL A 27 2.478 -8.331 -2.224 1.00 0.00 C ATOM 388 C VAL A 27 2.177 -6.944 -2.784 1.00 0.00 C ATOM 389 O VAL A 27 2.627 -6.619 -3.880 1.00 0.00 O ATOM 390 CB VAL A 27 1.606 -9.403 -2.889 1.00 0.00 C ATOM 391 CG1 VAL A 27 1.995 -9.595 -4.356 1.00 0.00 C ATOM 392 CG2 VAL A 27 1.751 -10.750 -2.174 1.00 0.00 C ATOM 0 H VAL A 27 1.358 -7.943 -0.510 1.00 0.00 H new ATOM 0 HA VAL A 27 3.526 -8.544 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 27 0.574 -9.059 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.361 -10.361 -4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.864 -8.656 -4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.038 -9.906 -4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.122 -11.492 -2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.791 -11.073 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.443 -10.645 -1.134 1.00 0.00 H new ATOM 402 N VAL A 28 1.423 -6.119 -2.048 1.00 0.00 N ATOM 403 CA VAL A 28 1.143 -4.752 -2.474 1.00 0.00 C ATOM 404 C VAL A 28 2.314 -3.844 -2.109 1.00 0.00 C ATOM 405 O VAL A 28 3.120 -4.177 -1.242 1.00 0.00 O ATOM 406 CB VAL A 28 -0.176 -4.267 -1.851 1.00 0.00 C ATOM 407 CG1 VAL A 28 0.050 -3.278 -0.707 1.00 0.00 C ATOM 408 CG2 VAL A 28 -1.042 -3.599 -2.917 1.00 0.00 C ATOM 0 H VAL A 28 0.999 -6.378 -1.157 1.00 0.00 H new ATOM 0 HA VAL A 28 1.026 -4.721 -3.557 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.678 -5.146 -1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.912 -2.966 -0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.637 -3.757 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.587 -2.406 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.975 -3.258 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.509 -2.746 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.262 -4.315 -3.709 1.00 0.00 H new ATOM 418 N LYS A 29 2.399 -2.693 -2.777 1.00 0.00 N ATOM 419 CA LYS A 29 3.390 -1.668 -2.486 1.00 0.00 C ATOM 420 C LYS A 29 2.748 -0.296 -2.640 1.00 0.00 C ATOM 421 O LYS A 29 1.623 -0.186 -3.124 1.00 0.00 O ATOM 422 CB LYS A 29 4.628 -1.798 -3.389 1.00 0.00 C ATOM 423 CG LYS A 29 4.340 -2.461 -4.738 1.00 0.00 C ATOM 424 CD LYS A 29 4.648 -3.957 -4.653 1.00 0.00 C ATOM 425 CE LYS A 29 4.077 -4.683 -5.867 1.00 0.00 C ATOM 426 NZ LYS A 29 4.501 -6.096 -5.888 1.00 0.00 N ATOM 0 H LYS A 29 1.772 -2.448 -3.543 1.00 0.00 H new ATOM 0 HA LYS A 29 3.734 -1.798 -1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.045 -0.806 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.389 -2.376 -2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.296 -2.310 -5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.945 -1.999 -5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.726 -4.111 -4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.223 -4.372 -3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.989 -4.627 -5.850 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.407 -4.187 -6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.337 -6.494 -6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.513 -6.158 -5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.952 -6.634 -5.187 1.00 0.00 H new ATOM 440 N LYS A 30 3.460 0.757 -2.234 1.00 0.00 N ATOM 441 CA LYS A 30 2.964 2.122 -2.342 1.00 0.00 C ATOM 442 C LYS A 30 2.655 2.476 -3.794 1.00 0.00 C ATOM 443 O LYS A 30 1.823 3.343 -4.048 1.00 0.00 O ATOM 444 CB LYS A 30 4.027 3.061 -1.765 1.00 0.00 C ATOM 445 CG LYS A 30 3.673 4.538 -1.956 1.00 0.00 C ATOM 446 CD LYS A 30 2.347 4.903 -1.291 1.00 0.00 C ATOM 447 CE LYS A 30 2.107 6.410 -1.389 1.00 0.00 C ATOM 448 NZ LYS A 30 2.124 6.878 -2.787 1.00 0.00 N ATOM 0 H LYS A 30 4.391 0.684 -1.824 1.00 0.00 H new ATOM 0 HA LYS A 30 2.034 2.225 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.150 2.855 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.985 2.856 -2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.468 5.157 -1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.617 4.762 -3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.530 4.365 -1.772 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.359 4.596 -0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.147 6.655 -0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.872 6.938 -0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.511 7.713 -2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.096 7.130 -3.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.777 6.122 -3.411 1.00 0.00 H new ATOM 462 N SER A 31 3.315 1.812 -4.746 1.00 0.00 N ATOM 463 CA SER A 31 3.128 2.083 -6.165 1.00 0.00 C ATOM 464 C SER A 31 1.956 1.289 -6.741 1.00 0.00 C ATOM 465 O SER A 31 1.589 1.493 -7.898 1.00 0.00 O ATOM 466 CB SER A 31 4.417 1.753 -6.918 1.00 0.00 C ATOM 467 OG SER A 31 5.491 2.491 -6.372 1.00 0.00 O ATOM 0 H SER A 31 3.991 1.074 -4.551 1.00 0.00 H new ATOM 0 HA SER A 31 2.893 3.141 -6.285 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.626 0.685 -6.850 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.302 1.989 -7.976 1.00 0.00 H new ATOM 0 HG SER A 31 6.315 2.276 -6.856 1.00 0.00 H new ATOM 473 N ASP A 32 1.361 0.388 -5.953 1.00 0.00 N ATOM 474 CA ASP A 32 0.216 -0.389 -6.389 1.00 0.00 C ATOM 475 C ASP A 32 -1.084 0.278 -5.955 1.00 0.00 C ATOM 476 O ASP A 32 -2.042 0.301 -6.724 1.00 0.00 O ATOM 477 CB ASP A 32 0.318 -1.801 -5.809 1.00 0.00 C ATOM 478 CG ASP A 32 1.136 -2.744 -6.687 1.00 0.00 C ATOM 479 OD1 ASP A 32 2.021 -2.251 -7.421 1.00 0.00 O ATOM 480 OD2 ASP A 32 0.869 -3.966 -6.616 1.00 0.00 O ATOM 0 H ASP A 32 1.664 0.184 -5.001 1.00 0.00 H new ATOM 0 HA ASP A 32 0.213 -0.446 -7.478 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.770 -1.750 -4.819 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.684 -2.209 -5.681 1.00 0.00 H new ATOM 485 N VAL A 33 -1.143 0.829 -4.741 1.00 0.00 N ATOM 486 CA VAL A 33 -2.374 1.438 -4.257 1.00 0.00 C ATOM 487 C VAL A 33 -2.674 2.705 -5.055 1.00 0.00 C ATOM 488 O VAL A 33 -3.837 3.037 -5.278 1.00 0.00 O ATOM 489 CB VAL A 33 -2.269 1.710 -2.752 1.00 0.00 C ATOM 490 CG1 VAL A 33 -3.575 2.294 -2.224 1.00 0.00 C ATOM 491 CG2 VAL A 33 -1.996 0.397 -2.017 1.00 0.00 C ATOM 0 H VAL A 33 -0.362 0.864 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.209 0.753 -4.405 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.458 2.419 -2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.484 2.481 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.789 3.230 -2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.387 1.588 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.921 0.588 -0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.812 -0.301 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.061 -0.033 -2.375 1.00 0.00 H new ATOM 501 N GLU A 34 -1.634 3.420 -5.491 1.00 0.00 N ATOM 502 CA GLU A 34 -1.807 4.604 -6.320 1.00 0.00 C ATOM 503 C GLU A 34 -2.034 4.230 -7.785 1.00 0.00 C ATOM 504 O GLU A 34 -2.175 5.111 -8.628 1.00 0.00 O ATOM 505 CB GLU A 34 -0.621 5.556 -6.156 1.00 0.00 C ATOM 506 CG GLU A 34 0.680 4.952 -6.690 1.00 0.00 C ATOM 507 CD GLU A 34 1.827 5.958 -6.625 1.00 0.00 C ATOM 508 OE1 GLU A 34 2.015 6.559 -5.544 1.00 0.00 O ATOM 509 OE2 GLU A 34 2.509 6.120 -7.663 1.00 0.00 O ATOM 0 H GLU A 34 -0.662 3.194 -5.280 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.702 5.127 -5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.830 6.488 -6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.499 5.804 -5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.937 4.066 -6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.536 4.627 -7.721 1.00 0.00 H new ATOM 516 N ALA A 35 -2.065 2.928 -8.093 1.00 0.00 N ATOM 517 CA ALA A 35 -2.299 2.439 -9.445 1.00 0.00 C ATOM 518 C ALA A 35 -3.605 1.649 -9.534 1.00 0.00 C ATOM 519 O ALA A 35 -4.061 1.334 -10.631 1.00 0.00 O ATOM 520 CB ALA A 35 -1.110 1.574 -9.861 1.00 0.00 C ATOM 0 H ALA A 35 -1.927 2.187 -7.406 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.395 3.287 -10.123 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.269 1.199 -10.872 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.199 2.171 -9.834 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.013 0.734 -9.174 1.00 0.00 H new ATOM 526 N ILE A 36 -4.209 1.331 -8.385 1.00 0.00 N ATOM 527 CA ILE A 36 -5.451 0.573 -8.316 1.00 0.00 C ATOM 528 C ILE A 36 -6.631 1.495 -8.015 1.00 0.00 C ATOM 529 O ILE A 36 -7.764 1.167 -8.361 1.00 0.00 O ATOM 530 CB ILE A 36 -5.285 -0.523 -7.258 1.00 0.00 C ATOM 531 CG1 ILE A 36 -4.247 -1.541 -7.749 1.00 0.00 C ATOM 532 CG2 ILE A 36 -6.601 -1.251 -6.979 1.00 0.00 C ATOM 533 CD1 ILE A 36 -3.707 -2.379 -6.587 1.00 0.00 C ATOM 0 H ILE A 36 -3.842 1.597 -7.471 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.666 0.106 -9.277 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.958 -0.049 -6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.699 -2.195 -8.495 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.425 -1.020 -8.239 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.439 -2.020 -6.223 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.342 -0.538 -6.618 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.962 -1.715 -7.897 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.973 -3.092 -6.963 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.234 -1.724 -5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.528 -2.918 -6.115 1.00 0.00 H new ATOM 545 N PHE A 37 -6.384 2.641 -7.374 1.00 0.00 N ATOM 546 CA PHE A 37 -7.448 3.575 -7.037 1.00 0.00 C ATOM 547 C PHE A 37 -7.395 4.841 -7.891 1.00 0.00 C ATOM 548 O PHE A 37 -8.286 5.682 -7.805 1.00 0.00 O ATOM 549 CB PHE A 37 -7.397 3.866 -5.536 1.00 0.00 C ATOM 550 CG PHE A 37 -7.795 2.676 -4.693 1.00 0.00 C ATOM 551 CD1 PHE A 37 -6.950 1.560 -4.589 1.00 0.00 C ATOM 552 CD2 PHE A 37 -9.025 2.687 -4.018 1.00 0.00 C ATOM 553 CE1 PHE A 37 -7.343 0.452 -3.827 1.00 0.00 C ATOM 554 CE2 PHE A 37 -9.417 1.580 -3.253 1.00 0.00 C ATOM 555 CZ PHE A 37 -8.576 0.460 -3.156 1.00 0.00 C ATOM 0 H PHE A 37 -5.454 2.939 -7.080 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.412 3.120 -7.267 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.388 4.176 -5.265 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.058 4.702 -5.310 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.997 1.555 -5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.671 3.550 -4.088 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.696 -0.410 -3.756 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.366 1.589 -2.738 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.877 -0.393 -2.567 1.00 0.00 H new ATOM 565 N SER A 38 -6.360 4.994 -8.723 1.00 0.00 N ATOM 566 CA SER A 38 -6.245 6.155 -9.594 1.00 0.00 C ATOM 567 C SER A 38 -7.117 6.004 -10.846 1.00 0.00 C ATOM 568 O SER A 38 -7.165 6.905 -11.681 1.00 0.00 O ATOM 569 CB SER A 38 -4.773 6.378 -9.940 1.00 0.00 C ATOM 570 OG SER A 38 -4.607 7.574 -10.673 1.00 0.00 O ATOM 0 H SER A 38 -5.594 4.326 -8.807 1.00 0.00 H new ATOM 0 HA SER A 38 -6.616 7.037 -9.071 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.182 6.422 -9.025 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.399 5.535 -10.521 1.00 0.00 H new ATOM 0 HG SER A 38 -5.374 7.701 -11.269 1.00 0.00 H new ATOM 576 N LYS A 39 -7.814 4.868 -10.984 1.00 0.00 N ATOM 577 CA LYS A 39 -8.733 4.636 -12.093 1.00 0.00 C ATOM 578 C LYS A 39 -10.173 4.991 -11.727 1.00 0.00 C ATOM 579 O LYS A 39 -11.064 4.889 -12.569 1.00 0.00 O ATOM 580 CB LYS A 39 -8.622 3.192 -12.587 1.00 0.00 C ATOM 581 CG LYS A 39 -9.108 2.188 -11.536 1.00 0.00 C ATOM 582 CD LYS A 39 -9.265 0.818 -12.196 1.00 0.00 C ATOM 583 CE LYS A 39 -9.817 -0.204 -11.205 1.00 0.00 C ATOM 584 NZ LYS A 39 -8.816 -0.574 -10.189 1.00 0.00 N ATOM 0 H LYS A 39 -7.753 4.089 -10.328 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.444 5.300 -12.907 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.207 3.075 -13.499 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.585 2.975 -12.844 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.396 2.130 -10.712 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.059 2.514 -11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.934 0.897 -13.053 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.300 0.479 -12.574 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.700 0.205 -10.714 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.137 -1.097 -11.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.247 -1.217 -9.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.013 -1.049 -10.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.480 0.283 -9.705 1.00 0.00 H new ATOM 598 N TYR A 40 -10.402 5.406 -10.477 1.00 0.00 N ATOM 599 CA TYR A 40 -11.724 5.765 -9.984 1.00 0.00 C ATOM 600 C TYR A 40 -11.778 7.221 -9.527 1.00 0.00 C ATOM 601 O TYR A 40 -12.839 7.700 -9.131 1.00 0.00 O ATOM 602 CB TYR A 40 -12.119 4.818 -8.847 1.00 0.00 C ATOM 603 CG TYR A 40 -12.851 3.576 -9.299 1.00 0.00 C ATOM 604 CD1 TYR A 40 -14.165 3.685 -9.775 1.00 0.00 C ATOM 605 CD2 TYR A 40 -12.230 2.317 -9.232 1.00 0.00 C ATOM 606 CE1 TYR A 40 -14.870 2.542 -10.176 1.00 0.00 C ATOM 607 CE2 TYR A 40 -12.927 1.171 -9.640 1.00 0.00 C ATOM 608 CZ TYR A 40 -14.250 1.280 -10.113 1.00 0.00 C ATOM 609 OH TYR A 40 -14.926 0.165 -10.506 1.00 0.00 O ATOM 0 H TYR A 40 -9.665 5.501 -9.778 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.438 5.662 -10.801 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.219 4.520 -8.309 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.748 5.360 -8.141 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.637 4.655 -9.833 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.217 2.232 -8.867 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.886 2.629 -10.532 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.449 0.204 -9.592 1.00 0.00 H new ATOM 0 HH TYR A 40 -14.351 -0.621 -10.399 1.00 0.00 H new ATOM 619 N GLY A 41 -10.652 7.936 -9.575 1.00 0.00 N ATOM 620 CA GLY A 41 -10.624 9.330 -9.171 1.00 0.00 C ATOM 621 C GLY A 41 -9.213 9.903 -9.147 1.00 0.00 C ATOM 622 O GLY A 41 -8.235 9.171 -9.302 1.00 0.00 O ATOM 0 H GLY A 41 -9.754 7.568 -9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.239 9.915 -9.855 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.069 9.427 -8.181 1.00 0.00 H new ATOM 626 N LYS A 42 -9.117 11.222 -8.953 1.00 0.00 N ATOM 627 CA LYS A 42 -7.849 11.927 -8.860 1.00 0.00 C ATOM 628 C LYS A 42 -7.301 11.790 -7.447 1.00 0.00 C ATOM 629 O LYS A 42 -7.846 12.372 -6.511 1.00 0.00 O ATOM 630 CB LYS A 42 -8.067 13.401 -9.221 1.00 0.00 C ATOM 631 CG LYS A 42 -6.850 14.267 -8.873 1.00 0.00 C ATOM 632 CD LYS A 42 -5.578 13.799 -9.583 1.00 0.00 C ATOM 633 CE LYS A 42 -4.395 14.590 -9.037 1.00 0.00 C ATOM 634 NZ LYS A 42 -4.460 16.011 -9.430 1.00 0.00 N ATOM 0 H LYS A 42 -9.930 11.830 -8.856 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.126 11.500 -9.555 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.278 13.485 -10.287 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.942 13.778 -8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.055 15.302 -9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.689 14.247 -7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.426 12.732 -9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.669 13.949 -10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.377 14.514 -7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.466 14.154 -9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.563 16.479 -9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.622 16.081 -10.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.240 16.476 -8.923 1.00 0.00 H new ATOM 648 N ILE A 43 -6.222 11.023 -7.293 1.00 0.00 N ATOM 649 CA ILE A 43 -5.563 10.883 -6.008 1.00 0.00 C ATOM 650 C ILE A 43 -4.613 12.062 -5.822 1.00 0.00 C ATOM 651 O ILE A 43 -3.808 12.358 -6.700 1.00 0.00 O ATOM 652 CB ILE A 43 -4.827 9.537 -5.931 1.00 0.00 C ATOM 653 CG1 ILE A 43 -5.836 8.391 -6.099 1.00 0.00 C ATOM 654 CG2 ILE A 43 -4.109 9.431 -4.583 1.00 0.00 C ATOM 655 CD1 ILE A 43 -5.203 7.002 -5.942 1.00 0.00 C ATOM 0 H ILE A 43 -5.790 10.491 -8.048 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.296 10.891 -5.201 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.088 9.469 -6.730 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.632 8.506 -5.364 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.298 8.464 -7.083 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.585 8.477 -4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.391 10.246 -4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.839 9.495 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.968 6.237 -6.072 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.426 6.869 -6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.765 6.912 -4.948 1.00 0.00 H new ATOM 667 N VAL A 44 -4.711 12.733 -4.671 1.00 0.00 N ATOM 668 CA VAL A 44 -3.827 13.834 -4.309 1.00 0.00 C ATOM 669 C VAL A 44 -3.035 13.490 -3.053 1.00 0.00 C ATOM 670 O VAL A 44 -2.254 14.305 -2.567 1.00 0.00 O ATOM 671 CB VAL A 44 -4.610 15.135 -4.138 1.00 0.00 C ATOM 672 CG1 VAL A 44 -5.117 15.614 -5.498 1.00 0.00 C ATOM 673 CG2 VAL A 44 -5.794 14.948 -3.193 1.00 0.00 C ATOM 0 H VAL A 44 -5.413 12.522 -3.962 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.118 13.987 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.940 15.879 -3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.675 16.542 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.270 15.787 -6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.768 14.855 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.331 15.891 -3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.465 14.190 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.432 14.630 -2.215 1.00 0.00 H new ATOM 683 N GLY A 45 -3.235 12.280 -2.528 1.00 0.00 N ATOM 684 CA GLY A 45 -2.497 11.783 -1.379 1.00 0.00 C ATOM 685 C GLY A 45 -2.700 10.281 -1.252 1.00 0.00 C ATOM 686 O GLY A 45 -3.785 9.780 -1.528 1.00 0.00 O ATOM 0 H GLY A 45 -3.919 11.618 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.436 12.009 -1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.836 12.284 -0.472 1.00 0.00 H new ATOM 690 N CYS A 46 -1.664 9.550 -0.837 1.00 0.00 N ATOM 691 CA CYS A 46 -1.765 8.107 -0.676 1.00 0.00 C ATOM 692 C CYS A 46 -0.752 7.614 0.355 1.00 0.00 C ATOM 693 O CYS A 46 0.322 8.194 0.497 1.00 0.00 O ATOM 694 CB CYS A 46 -1.535 7.443 -2.035 1.00 0.00 C ATOM 695 SG CYS A 46 -1.648 5.640 -1.882 1.00 0.00 S ATOM 0 H CYS A 46 -0.749 9.937 -0.608 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.758 7.843 -0.312 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.274 7.801 -2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.555 7.721 -2.422 1.00 0.00 H new ATOM 0 HG CYS A 46 -2.461 5.337 -0.914 1.00 0.00 H new ATOM 701 N SER A 47 -1.098 6.545 1.074 1.00 0.00 N ATOM 702 CA SER A 47 -0.212 5.929 2.051 1.00 0.00 C ATOM 703 C SER A 47 -0.560 4.453 2.234 1.00 0.00 C ATOM 704 O SER A 47 -1.650 4.010 1.874 1.00 0.00 O ATOM 705 CB SER A 47 -0.315 6.680 3.377 1.00 0.00 C ATOM 706 OG SER A 47 -1.640 6.639 3.858 1.00 0.00 O ATOM 0 H SER A 47 -2.004 6.084 0.992 1.00 0.00 H new ATOM 0 HA SER A 47 0.815 5.987 1.691 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.359 6.235 4.109 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.001 7.715 3.242 1.00 0.00 H new ATOM 0 HG SER A 47 -1.697 6.008 4.606 1.00 0.00 H new ATOM 712 N VAL A 48 0.376 3.685 2.793 1.00 0.00 N ATOM 713 CA VAL A 48 0.192 2.264 3.048 1.00 0.00 C ATOM 714 C VAL A 48 0.731 1.944 4.438 1.00 0.00 C ATOM 715 O VAL A 48 1.673 2.589 4.898 1.00 0.00 O ATOM 716 CB VAL A 48 0.888 1.438 1.959 1.00 0.00 C ATOM 717 CG1 VAL A 48 0.723 -0.061 2.196 1.00 0.00 C ATOM 718 CG2 VAL A 48 0.317 1.765 0.578 1.00 0.00 C ATOM 0 H VAL A 48 1.288 4.038 3.082 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.866 2.006 3.018 1.00 0.00 H new ATOM 0 HB VAL A 48 1.946 1.698 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.230 -0.613 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.158 -0.327 3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.337 -0.315 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.827 1.167 -0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.749 1.538 0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.466 2.823 0.364 1.00 0.00 H new ATOM 728 N HIS A 49 0.136 0.954 5.113 1.00 0.00 N ATOM 729 CA HIS A 49 0.448 0.661 6.505 1.00 0.00 C ATOM 730 C HIS A 49 0.430 -0.842 6.795 1.00 0.00 C ATOM 731 O HIS A 49 0.105 -1.640 5.918 1.00 0.00 O ATOM 732 CB HIS A 49 -0.575 1.367 7.392 1.00 0.00 C ATOM 733 CG HIS A 49 -0.763 2.819 7.042 1.00 0.00 C ATOM 734 ND1 HIS A 49 -0.058 3.884 7.602 1.00 0.00 N ATOM 735 CD2 HIS A 49 -1.653 3.299 6.124 1.00 0.00 C ATOM 736 CE1 HIS A 49 -0.533 4.985 6.994 1.00 0.00 C ATOM 737 NE2 HIS A 49 -1.490 4.663 6.102 1.00 0.00 N ATOM 0 H HIS A 49 -0.570 0.340 4.707 1.00 0.00 H new ATOM 0 HA HIS A 49 1.456 1.019 6.714 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.533 0.853 7.310 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.259 1.289 8.432 1.00 0.00 H new ATOM 0 HD1 HIS A 49 0.665 3.838 8.320 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.347 2.721 5.532 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.194 5.991 7.193 1.00 0.00 H new ATOM 745 N LYS A 50 0.776 -1.222 8.032 1.00 0.00 N ATOM 746 CA LYS A 50 0.723 -2.611 8.472 1.00 0.00 C ATOM 747 C LYS A 50 -0.733 -3.077 8.578 1.00 0.00 C ATOM 748 O LYS A 50 -1.358 -2.948 9.631 1.00 0.00 O ATOM 749 CB LYS A 50 1.452 -2.781 9.813 1.00 0.00 C ATOM 750 CG LYS A 50 2.945 -3.102 9.668 1.00 0.00 C ATOM 751 CD LYS A 50 3.174 -4.537 9.174 1.00 0.00 C ATOM 752 CE LYS A 50 4.651 -4.947 9.185 1.00 0.00 C ATOM 753 NZ LYS A 50 5.210 -4.912 10.548 1.00 0.00 N ATOM 0 H LYS A 50 1.099 -0.573 8.749 1.00 0.00 H new ATOM 0 HA LYS A 50 1.230 -3.232 7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.341 -1.866 10.395 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.971 -3.579 10.379 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.402 -2.400 8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.441 -2.965 10.629 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.607 -5.226 9.800 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.784 -4.633 8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.754 -5.951 8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.220 -4.278 8.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.113 -5.427 10.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.369 -3.924 10.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.543 -5.360 11.208 1.00 0.00 H new ATOM 767 N GLY A 51 -1.259 -3.618 7.476 1.00 0.00 N ATOM 768 CA GLY A 51 -2.538 -4.312 7.421 1.00 0.00 C ATOM 769 C GLY A 51 -3.580 -3.587 6.587 1.00 0.00 C ATOM 770 O GLY A 51 -4.607 -4.168 6.236 1.00 0.00 O ATOM 0 H GLY A 51 -0.788 -3.581 6.572 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.384 -5.310 7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.918 -4.439 8.435 1.00 0.00 H new ATOM 774 N PHE A 52 -3.325 -2.320 6.263 1.00 0.00 N ATOM 775 CA PHE A 52 -4.287 -1.491 5.566 1.00 0.00 C ATOM 776 C PHE A 52 -3.558 -0.414 4.775 1.00 0.00 C ATOM 777 O PHE A 52 -2.343 -0.275 4.880 1.00 0.00 O ATOM 778 CB PHE A 52 -5.228 -0.855 6.594 1.00 0.00 C ATOM 779 CG PHE A 52 -4.498 -0.028 7.628 1.00 0.00 C ATOM 780 CD1 PHE A 52 -3.887 -0.650 8.724 1.00 0.00 C ATOM 781 CD2 PHE A 52 -4.422 1.363 7.481 1.00 0.00 C ATOM 782 CE1 PHE A 52 -3.186 0.115 9.664 1.00 0.00 C ATOM 783 CE2 PHE A 52 -3.721 2.128 8.424 1.00 0.00 C ATOM 784 CZ PHE A 52 -3.097 1.506 9.511 1.00 0.00 C ATOM 0 H PHE A 52 -2.447 -1.848 6.479 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.868 -2.096 4.870 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.951 -0.224 6.076 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.793 -1.640 7.097 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.957 -1.721 8.844 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.903 1.845 6.643 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.714 -0.367 10.507 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.663 3.200 8.311 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.548 2.096 10.230 1.00 0.00 H new ATOM 794 N ALA A 53 -4.305 0.350 3.986 1.00 0.00 N ATOM 795 CA ALA A 53 -3.754 1.454 3.228 1.00 0.00 C ATOM 796 C ALA A 53 -4.784 2.571 3.122 1.00 0.00 C ATOM 797 O ALA A 53 -5.966 2.359 3.393 1.00 0.00 O ATOM 798 CB ALA A 53 -3.319 0.949 1.855 1.00 0.00 C ATOM 0 H ALA A 53 -5.308 0.217 3.858 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.879 1.862 3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.903 1.775 1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.563 0.173 1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.180 0.537 1.329 1.00 0.00 H new ATOM 804 N PHE A 54 -4.327 3.760 2.728 1.00 0.00 N ATOM 805 CA PHE A 54 -5.197 4.918 2.627 1.00 0.00 C ATOM 806 C PHE A 54 -4.990 5.656 1.311 1.00 0.00 C ATOM 807 O PHE A 54 -3.887 5.703 0.767 1.00 0.00 O ATOM 808 CB PHE A 54 -4.967 5.849 3.820 1.00 0.00 C ATOM 809 CG PHE A 54 -5.889 5.577 4.984 1.00 0.00 C ATOM 810 CD1 PHE A 54 -7.225 5.990 4.903 1.00 0.00 C ATOM 811 CD2 PHE A 54 -5.421 4.925 6.131 1.00 0.00 C ATOM 812 CE1 PHE A 54 -8.098 5.751 5.973 1.00 0.00 C ATOM 813 CE2 PHE A 54 -6.293 4.685 7.202 1.00 0.00 C ATOM 814 CZ PHE A 54 -7.628 5.100 7.120 1.00 0.00 C ATOM 0 H PHE A 54 -3.356 3.940 2.474 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.231 4.573 2.645 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.934 5.750 4.154 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.099 6.881 3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.582 6.492 4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.390 4.608 6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.129 6.068 5.913 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.936 4.181 8.088 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.299 4.917 7.946 1.00 0.00 H new ATOM 824 N VAL A 55 -6.080 6.239 0.807 1.00 0.00 N ATOM 825 CA VAL A 55 -6.068 7.039 -0.405 1.00 0.00 C ATOM 826 C VAL A 55 -6.880 8.300 -0.157 1.00 0.00 C ATOM 827 O VAL A 55 -7.962 8.243 0.422 1.00 0.00 O ATOM 828 CB VAL A 55 -6.629 6.241 -1.585 1.00 0.00 C ATOM 829 CG1 VAL A 55 -6.720 7.118 -2.829 1.00 0.00 C ATOM 830 CG2 VAL A 55 -5.736 5.043 -1.903 1.00 0.00 C ATOM 0 H VAL A 55 -7.001 6.164 1.238 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.044 7.312 -0.661 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.623 5.893 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.121 6.534 -3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.377 7.964 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.727 7.484 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.154 4.491 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.736 5.393 -2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.680 4.390 -1.032 1.00 0.00 H new ATOM 840 N GLN A 56 -6.353 9.437 -0.600 1.00 0.00 N ATOM 841 CA GLN A 56 -6.983 10.734 -0.432 1.00 0.00 C ATOM 842 C GLN A 56 -7.310 11.313 -1.799 1.00 0.00 C ATOM 843 O GLN A 56 -6.413 11.684 -2.557 1.00 0.00 O ATOM 844 CB GLN A 56 -6.036 11.621 0.379 1.00 0.00 C ATOM 845 CG GLN A 56 -6.580 13.032 0.615 1.00 0.00 C ATOM 846 CD GLN A 56 -7.859 13.008 1.437 1.00 0.00 C ATOM 847 OE1 GLN A 56 -7.822 12.898 2.661 1.00 0.00 O ATOM 848 NE2 GLN A 56 -8.998 13.105 0.765 1.00 0.00 N ATOM 0 H GLN A 56 -5.461 9.480 -1.093 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.924 10.659 0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.842 11.148 1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.080 11.690 -0.140 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.828 13.631 1.128 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.772 13.514 -0.344 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.985 13.195 -0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.887 13.090 1.264 1.00 0.00 H new ATOM 857 N TYR A 57 -8.604 11.387 -2.109 1.00 0.00 N ATOM 858 CA TYR A 57 -9.085 11.972 -3.351 1.00 0.00 C ATOM 859 C TYR A 57 -9.319 13.469 -3.168 1.00 0.00 C ATOM 860 O TYR A 57 -9.083 14.017 -2.090 1.00 0.00 O ATOM 861 CB TYR A 57 -10.380 11.291 -3.791 1.00 0.00 C ATOM 862 CG TYR A 57 -10.240 9.880 -4.305 1.00 0.00 C ATOM 863 CD1 TYR A 57 -9.342 9.596 -5.342 1.00 0.00 C ATOM 864 CD2 TYR A 57 -11.026 8.859 -3.760 1.00 0.00 C ATOM 865 CE1 TYR A 57 -9.270 8.303 -5.882 1.00 0.00 C ATOM 866 CE2 TYR A 57 -10.967 7.565 -4.300 1.00 0.00 C ATOM 867 CZ TYR A 57 -10.091 7.289 -5.364 1.00 0.00 C ATOM 868 OH TYR A 57 -10.050 6.036 -5.895 1.00 0.00 O ATOM 0 H TYR A 57 -9.347 11.041 -1.501 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.330 11.822 -4.123 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.069 11.283 -2.946 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.840 11.897 -4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.702 10.376 -5.728 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.678 9.067 -2.924 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.587 8.089 -6.691 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.594 6.782 -3.899 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.623 6.068 -6.777 1.00 0.00 H new ATOM 878 N VAL A 58 -9.785 14.133 -4.230 1.00 0.00 N ATOM 879 CA VAL A 58 -10.039 15.566 -4.202 1.00 0.00 C ATOM 880 C VAL A 58 -11.422 15.865 -3.613 1.00 0.00 C ATOM 881 O VAL A 58 -11.652 16.955 -3.099 1.00 0.00 O ATOM 882 CB VAL A 58 -9.914 16.120 -5.624 1.00 0.00 C ATOM 883 CG1 VAL A 58 -10.242 17.613 -5.683 1.00 0.00 C ATOM 884 CG2 VAL A 58 -8.483 15.941 -6.123 1.00 0.00 C ATOM 0 H VAL A 58 -9.994 13.691 -5.125 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.304 16.052 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.622 15.572 -6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.142 17.967 -6.709 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.265 17.775 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.554 18.162 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.398 16.337 -7.135 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.799 16.477 -5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.228 14.881 -6.125 1.00 0.00 H new ATOM 894 N ASN A 59 -12.345 14.898 -3.689 1.00 0.00 N ATOM 895 CA ASN A 59 -13.716 15.085 -3.231 1.00 0.00 C ATOM 896 C ASN A 59 -14.370 13.764 -2.822 1.00 0.00 C ATOM 897 O ASN A 59 -13.787 12.691 -2.984 1.00 0.00 O ATOM 898 CB ASN A 59 -14.525 15.753 -4.347 1.00 0.00 C ATOM 899 CG ASN A 59 -14.567 14.898 -5.601 1.00 0.00 C ATOM 900 OD1 ASN A 59 -15.066 13.778 -5.581 1.00 0.00 O ATOM 901 ND2 ASN A 59 -14.047 15.416 -6.704 1.00 0.00 N ATOM 0 H ASN A 59 -12.158 13.970 -4.069 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.699 15.720 -2.345 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.541 15.938 -3.999 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.087 16.723 -4.583 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.054 14.880 -7.572 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.640 16.351 -6.685 1.00 0.00 H new ATOM 908 N GLU A 60 -15.593 13.849 -2.289 1.00 0.00 N ATOM 909 CA GLU A 60 -16.346 12.700 -1.808 1.00 0.00 C ATOM 910 C GLU A 60 -16.791 11.807 -2.961 1.00 0.00 C ATOM 911 O GLU A 60 -16.807 10.588 -2.828 1.00 0.00 O ATOM 912 CB GLU A 60 -17.563 13.207 -1.025 1.00 0.00 C ATOM 913 CG GLU A 60 -18.588 12.088 -0.813 1.00 0.00 C ATOM 914 CD GLU A 60 -19.689 12.492 0.167 1.00 0.00 C ATOM 915 OE1 GLU A 60 -20.114 13.669 0.123 1.00 0.00 O ATOM 916 OE2 GLU A 60 -20.094 11.611 0.956 1.00 0.00 O ATOM 0 H GLU A 60 -16.090 14.733 -2.181 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.707 12.099 -1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.241 13.597 -0.059 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.028 14.033 -1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.036 11.822 -1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.080 11.198 -0.440 1.00 0.00 H new ATOM 923 N ARG A 61 -17.155 12.410 -4.089 1.00 0.00 N ATOM 924 CA ARG A 61 -17.640 11.690 -5.257 1.00 0.00 C ATOM 925 C ARG A 61 -16.605 10.664 -5.713 1.00 0.00 C ATOM 926 O ARG A 61 -16.957 9.550 -6.096 1.00 0.00 O ATOM 927 CB ARG A 61 -17.973 12.753 -6.312 1.00 0.00 C ATOM 928 CG ARG A 61 -17.601 12.389 -7.749 1.00 0.00 C ATOM 929 CD ARG A 61 -18.469 11.256 -8.285 1.00 0.00 C ATOM 930 NE ARG A 61 -18.085 10.895 -9.656 1.00 0.00 N ATOM 931 CZ ARG A 61 -18.412 9.743 -10.248 1.00 0.00 C ATOM 932 NH1 ARG A 61 -19.133 8.829 -9.605 1.00 0.00 N ATOM 933 NH2 ARG A 61 -18.011 9.501 -11.491 1.00 0.00 N ATOM 0 H ARG A 61 -17.120 13.421 -4.217 1.00 0.00 H new ATOM 0 HA ARG A 61 -18.537 11.107 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.043 12.957 -6.272 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.462 13.678 -6.045 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -17.712 13.266 -8.387 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.552 12.095 -7.790 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.375 10.385 -7.637 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.517 11.556 -8.265 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.534 11.567 -10.190 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.443 9.004 -8.649 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.376 7.953 -10.068 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.455 10.194 -11.991 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.259 8.622 -11.945 1.00 0.00 H new ATOM 947 N ASN A 62 -15.326 11.033 -5.671 1.00 0.00 N ATOM 948 CA ASN A 62 -14.248 10.142 -6.071 1.00 0.00 C ATOM 949 C ASN A 62 -14.106 8.996 -5.065 1.00 0.00 C ATOM 950 O ASN A 62 -13.790 7.868 -5.442 1.00 0.00 O ATOM 951 CB ASN A 62 -12.955 10.958 -6.170 1.00 0.00 C ATOM 952 CG ASN A 62 -12.856 11.750 -7.469 1.00 0.00 C ATOM 953 OD1 ASN A 62 -11.837 11.705 -8.150 1.00 0.00 O ATOM 954 ND2 ASN A 62 -13.898 12.486 -7.836 1.00 0.00 N ATOM 0 H ASN A 62 -15.013 11.953 -5.360 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.467 9.698 -7.042 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.898 11.645 -5.326 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.100 10.287 -6.093 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.861 13.028 -8.699 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.736 12.509 -7.255 1.00 0.00 H new ATOM 961 N ALA A 63 -14.339 9.268 -3.776 1.00 0.00 N ATOM 962 CA ALA A 63 -14.248 8.230 -2.759 1.00 0.00 C ATOM 963 C ALA A 63 -15.382 7.229 -2.902 1.00 0.00 C ATOM 964 O ALA A 63 -15.148 6.029 -2.797 1.00 0.00 O ATOM 965 CB ALA A 63 -14.268 8.858 -1.368 1.00 0.00 C ATOM 0 H ALA A 63 -14.589 10.191 -3.421 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.307 7.697 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.200 8.074 -0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.422 9.537 -1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.197 9.412 -1.232 1.00 0.00 H new ATOM 971 N ARG A 64 -16.606 7.702 -3.149 1.00 0.00 N ATOM 972 CA ARG A 64 -17.748 6.816 -3.332 1.00 0.00 C ATOM 973 C ARG A 64 -17.544 5.944 -4.565 1.00 0.00 C ATOM 974 O ARG A 64 -18.100 4.852 -4.645 1.00 0.00 O ATOM 975 CB ARG A 64 -19.021 7.651 -3.533 1.00 0.00 C ATOM 976 CG ARG A 64 -19.366 8.547 -2.341 1.00 0.00 C ATOM 977 CD ARG A 64 -19.798 7.746 -1.118 1.00 0.00 C ATOM 978 NE ARG A 64 -20.121 8.654 -0.014 1.00 0.00 N ATOM 979 CZ ARG A 64 -20.482 8.269 1.211 1.00 0.00 C ATOM 980 NH1 ARG A 64 -20.593 6.982 1.524 1.00 0.00 N ATOM 981 NH2 ARG A 64 -20.731 9.192 2.134 1.00 0.00 N ATOM 0 H ARG A 64 -16.827 8.695 -3.226 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.844 6.186 -2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.900 8.273 -4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.858 6.980 -3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.499 9.156 -2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.165 9.232 -2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.666 7.133 -1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -19.001 7.065 -0.819 1.00 0.00 H new ATOM 0 HE ARG A 64 -20.066 9.656 -0.196 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.401 6.268 0.822 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.870 6.708 2.467 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.645 10.182 1.902 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -21.008 8.911 3.075 1.00 0.00 H new ATOM 995 N ALA A 65 -16.747 6.423 -5.526 1.00 0.00 N ATOM 996 CA ALA A 65 -16.504 5.699 -6.760 1.00 0.00 C ATOM 997 C ALA A 65 -15.637 4.466 -6.518 1.00 0.00 C ATOM 998 O ALA A 65 -15.900 3.414 -7.096 1.00 0.00 O ATOM 999 CB ALA A 65 -15.820 6.636 -7.754 1.00 0.00 C ATOM 0 H ALA A 65 -16.260 7.317 -5.463 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.457 5.357 -7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.632 6.103 -8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.465 7.493 -7.950 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.874 6.982 -7.337 1.00 0.00 H new ATOM 1005 N ALA A 66 -14.614 4.582 -5.668 1.00 0.00 N ATOM 1006 CA ALA A 66 -13.740 3.454 -5.381 1.00 0.00 C ATOM 1007 C ALA A 66 -14.242 2.632 -4.196 1.00 0.00 C ATOM 1008 O ALA A 66 -13.981 1.432 -4.126 1.00 0.00 O ATOM 1009 CB ALA A 66 -12.331 3.980 -5.133 1.00 0.00 C ATOM 0 H ALA A 66 -14.376 5.441 -5.172 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.734 2.781 -6.239 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.664 3.146 -4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.978 4.506 -6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.342 4.665 -4.285 1.00 0.00 H new ATOM 1015 N VAL A 67 -14.960 3.262 -3.264 1.00 0.00 N ATOM 1016 CA VAL A 67 -15.513 2.574 -2.105 1.00 0.00 C ATOM 1017 C VAL A 67 -16.677 1.676 -2.519 1.00 0.00 C ATOM 1018 O VAL A 67 -16.992 0.715 -1.820 1.00 0.00 O ATOM 1019 CB VAL A 67 -15.916 3.603 -1.041 1.00 0.00 C ATOM 1020 CG1 VAL A 67 -16.835 2.994 0.013 1.00 0.00 C ATOM 1021 CG2 VAL A 67 -14.650 4.120 -0.361 1.00 0.00 C ATOM 0 H VAL A 67 -15.172 4.259 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.756 1.923 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.457 4.412 -1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -17.098 3.754 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -17.741 2.623 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.323 2.170 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.919 4.853 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.123 3.289 0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.003 4.587 -1.103 1.00 0.00 H new ATOM 1031 N ALA A 68 -17.316 1.977 -3.651 1.00 0.00 N ATOM 1032 CA ALA A 68 -18.354 1.123 -4.207 1.00 0.00 C ATOM 1033 C ALA A 68 -17.881 0.401 -5.473 1.00 0.00 C ATOM 1034 O ALA A 68 -18.562 -0.509 -5.944 1.00 0.00 O ATOM 1035 CB ALA A 68 -19.600 1.959 -4.480 1.00 0.00 C ATOM 0 H ALA A 68 -17.127 2.815 -4.201 1.00 0.00 H new ATOM 0 HA ALA A 68 -18.594 0.348 -3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.381 1.323 -4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.952 2.402 -3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.359 2.750 -5.190 1.00 0.00 H new ATOM 1041 N GLY A 69 -16.731 0.790 -6.028 1.00 0.00 N ATOM 1042 CA GLY A 69 -16.212 0.193 -7.249 1.00 0.00 C ATOM 1043 C GLY A 69 -15.208 -0.933 -7.000 1.00 0.00 C ATOM 1044 O GLY A 69 -15.150 -1.880 -7.784 1.00 0.00 O ATOM 0 H GLY A 69 -16.139 1.525 -5.641 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.044 -0.196 -7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.735 0.968 -7.848 1.00 0.00 H new ATOM 1048 N GLU A 70 -14.421 -0.844 -5.923 1.00 0.00 N ATOM 1049 CA GLU A 70 -13.370 -1.816 -5.637 1.00 0.00 C ATOM 1050 C GLU A 70 -13.641 -2.613 -4.365 1.00 0.00 C ATOM 1051 O GLU A 70 -12.999 -3.636 -4.142 1.00 0.00 O ATOM 1052 CB GLU A 70 -12.029 -1.087 -5.509 1.00 0.00 C ATOM 1053 CG GLU A 70 -11.582 -0.431 -6.818 1.00 0.00 C ATOM 1054 CD GLU A 70 -11.158 -1.475 -7.847 1.00 0.00 C ATOM 1055 OE1 GLU A 70 -12.047 -2.052 -8.508 1.00 0.00 O ATOM 1056 OE2 GLU A 70 -9.935 -1.696 -7.976 1.00 0.00 O ATOM 0 H GLU A 70 -14.497 -0.099 -5.230 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.345 -2.526 -6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.108 -0.324 -4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.266 -1.794 -5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.396 0.171 -7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.752 0.247 -6.622 1.00 0.00 H new ATOM 1063 N ASP A 71 -14.573 -2.176 -3.517 1.00 0.00 N ATOM 1064 CA ASP A 71 -14.829 -2.884 -2.273 1.00 0.00 C ATOM 1065 C ASP A 71 -15.236 -4.333 -2.541 1.00 0.00 C ATOM 1066 O ASP A 71 -16.099 -4.603 -3.375 1.00 0.00 O ATOM 1067 CB ASP A 71 -15.898 -2.144 -1.474 1.00 0.00 C ATOM 1068 CG ASP A 71 -16.313 -2.939 -0.239 1.00 0.00 C ATOM 1069 OD1 ASP A 71 -15.406 -3.466 0.442 1.00 0.00 O ATOM 1070 OD2 ASP A 71 -17.537 -3.014 0.014 1.00 0.00 O ATOM 0 H ASP A 71 -15.151 -1.350 -3.669 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.912 -2.912 -1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.519 -1.168 -1.171 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.769 -1.966 -2.105 1.00 0.00 H new ATOM 1075 N GLY A 72 -14.602 -5.266 -1.824 1.00 0.00 N ATOM 1076 CA GLY A 72 -14.907 -6.684 -1.937 1.00 0.00 C ATOM 1077 C GLY A 72 -14.199 -7.339 -3.123 1.00 0.00 C ATOM 1078 O GLY A 72 -14.562 -8.452 -3.503 1.00 0.00 O ATOM 0 H GLY A 72 -13.865 -5.054 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.614 -7.190 -1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.984 -6.814 -2.043 1.00 0.00 H new ATOM 1082 N ARG A 73 -13.199 -6.674 -3.716 1.00 0.00 N ATOM 1083 CA ARG A 73 -12.496 -7.224 -4.868 1.00 0.00 C ATOM 1084 C ARG A 73 -11.251 -7.996 -4.445 1.00 0.00 C ATOM 1085 O ARG A 73 -10.735 -7.796 -3.349 1.00 0.00 O ATOM 1086 CB ARG A 73 -12.154 -6.131 -5.885 1.00 0.00 C ATOM 1087 CG ARG A 73 -10.863 -5.383 -5.547 1.00 0.00 C ATOM 1088 CD ARG A 73 -10.387 -4.604 -6.769 1.00 0.00 C ATOM 1089 NE ARG A 73 -9.914 -5.525 -7.808 1.00 0.00 N ATOM 1090 CZ ARG A 73 -10.035 -5.321 -9.122 1.00 0.00 C ATOM 1091 NH1 ARG A 73 -10.620 -4.227 -9.603 1.00 0.00 N ATOM 1092 NH2 ARG A 73 -9.564 -6.230 -9.971 1.00 0.00 N ATOM 0 H ARG A 73 -12.864 -5.759 -3.414 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.169 -7.930 -5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.059 -6.579 -6.874 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.978 -5.419 -5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.033 -4.702 -4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.094 -6.088 -5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.201 -3.993 -7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.585 -3.923 -6.485 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.459 -6.386 -7.504 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.988 -3.522 -8.964 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.701 -4.093 -10.611 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.115 -7.074 -9.617 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.652 -6.083 -10.976 1.00 0.00 H new ATOM 1106 N MET A 74 -10.765 -8.872 -5.322 1.00 0.00 N ATOM 1107 CA MET A 74 -9.544 -9.610 -5.069 1.00 0.00 C ATOM 1108 C MET A 74 -8.347 -8.917 -5.715 1.00 0.00 C ATOM 1109 O MET A 74 -8.434 -8.425 -6.839 1.00 0.00 O ATOM 1110 CB MET A 74 -9.694 -11.052 -5.555 1.00 0.00 C ATOM 1111 CG MET A 74 -8.363 -11.789 -5.415 1.00 0.00 C ATOM 1112 SD MET A 74 -8.511 -13.584 -5.272 1.00 0.00 S ATOM 1113 CE MET A 74 -9.192 -13.620 -3.597 1.00 0.00 C ATOM 0 H MET A 74 -11.206 -9.084 -6.217 1.00 0.00 H new ATOM 0 HA MET A 74 -9.360 -9.634 -3.995 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.464 -11.562 -4.976 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.018 -11.062 -6.596 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.741 -11.556 -6.279 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.843 -11.409 -4.536 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.772 -14.465 -3.052 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.939 -12.694 -3.081 1.00 0.00 H new ATOM 0 HE3 MET A 74 -10.276 -13.723 -3.647 1.00 0.00 H new ATOM 1123 N ILE A 75 -7.235 -8.885 -4.979 1.00 0.00 N ATOM 1124 CA ILE A 75 -5.960 -8.352 -5.431 1.00 0.00 C ATOM 1125 C ILE A 75 -4.861 -9.228 -4.835 1.00 0.00 C ATOM 1126 O ILE A 75 -4.903 -9.560 -3.651 1.00 0.00 O ATOM 1127 CB ILE A 75 -5.804 -6.891 -4.980 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -7.014 -6.053 -5.415 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -4.506 -6.298 -5.538 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -6.922 -4.601 -4.948 1.00 0.00 C ATOM 0 H ILE A 75 -7.201 -9.241 -4.024 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.899 -8.363 -6.519 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.755 -6.871 -3.891 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.096 -6.077 -6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.924 -6.502 -5.017 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.409 -5.263 -5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.656 -6.875 -5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.529 -6.333 -6.627 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.803 -4.054 -5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.869 -4.571 -3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -6.028 -4.140 -5.368 1.00 0.00 H new ATOM 1142 N ALA A 76 -3.874 -9.604 -5.654 1.00 0.00 N ATOM 1143 CA ALA A 76 -2.761 -10.455 -5.253 1.00 0.00 C ATOM 1144 C ALA A 76 -3.179 -11.765 -4.569 1.00 0.00 C ATOM 1145 O ALA A 76 -2.347 -12.418 -3.940 1.00 0.00 O ATOM 1146 CB ALA A 76 -1.786 -9.655 -4.394 1.00 0.00 C ATOM 0 H ALA A 76 -3.830 -9.317 -6.632 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.265 -10.774 -6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.955 -10.294 -4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.406 -8.809 -4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.300 -9.289 -3.505 1.00 0.00 H new ATOM 1152 N GLY A 77 -4.454 -12.158 -4.681 1.00 0.00 N ATOM 1153 CA GLY A 77 -4.937 -13.432 -4.163 1.00 0.00 C ATOM 1154 C GLY A 77 -5.781 -13.301 -2.897 1.00 0.00 C ATOM 1155 O GLY A 77 -6.301 -14.305 -2.411 1.00 0.00 O ATOM 0 H GLY A 77 -5.175 -11.597 -5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.529 -13.926 -4.934 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.083 -14.076 -3.954 1.00 0.00 H new ATOM 1159 N GLN A 78 -5.929 -12.088 -2.354 1.00 0.00 N ATOM 1160 CA GLN A 78 -6.755 -11.858 -1.174 1.00 0.00 C ATOM 1161 C GLN A 78 -7.750 -10.736 -1.456 1.00 0.00 C ATOM 1162 O GLN A 78 -7.565 -9.956 -2.387 1.00 0.00 O ATOM 1163 CB GLN A 78 -5.891 -11.514 0.046 1.00 0.00 C ATOM 1164 CG GLN A 78 -5.017 -12.677 0.531 1.00 0.00 C ATOM 1165 CD GLN A 78 -3.898 -13.027 -0.445 1.00 0.00 C ATOM 1166 OE1 GLN A 78 -3.731 -14.185 -0.821 1.00 0.00 O ATOM 1167 NE2 GLN A 78 -3.122 -12.032 -0.864 1.00 0.00 N ATOM 0 H GLN A 78 -5.482 -11.247 -2.720 1.00 0.00 H new ATOM 0 HA GLN A 78 -7.300 -12.774 -0.947 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.250 -10.668 -0.201 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.540 -11.195 0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.582 -12.420 1.497 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.644 -13.555 0.687 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.288 -11.082 -0.532 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.361 -12.219 -1.517 1.00 0.00 H new ATOM 1176 N VAL A 79 -8.807 -10.654 -0.646 1.00 0.00 N ATOM 1177 CA VAL A 79 -9.821 -9.613 -0.785 1.00 0.00 C ATOM 1178 C VAL A 79 -9.579 -8.527 0.252 1.00 0.00 C ATOM 1179 O VAL A 79 -9.102 -8.803 1.353 1.00 0.00 O ATOM 1180 CB VAL A 79 -11.231 -10.207 -0.665 1.00 0.00 C ATOM 1181 CG1 VAL A 79 -12.306 -9.121 -0.719 1.00 0.00 C ATOM 1182 CG2 VAL A 79 -11.474 -11.177 -1.818 1.00 0.00 C ATOM 0 H VAL A 79 -8.982 -11.304 0.120 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.746 -9.166 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.293 -10.718 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.291 -9.579 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.157 -8.420 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.237 -8.588 -1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.475 -11.599 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.383 -10.646 -2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.737 -11.980 -1.780 1.00 0.00 H new ATOM 1192 N LEU A 80 -9.915 -7.293 -0.112 1.00 0.00 N ATOM 1193 CA LEU A 80 -9.743 -6.129 0.740 1.00 0.00 C ATOM 1194 C LEU A 80 -11.093 -5.498 1.049 1.00 0.00 C ATOM 1195 O LEU A 80 -12.005 -5.504 0.222 1.00 0.00 O ATOM 1196 CB LEU A 80 -8.744 -5.113 0.165 1.00 0.00 C ATOM 1197 CG LEU A 80 -8.476 -5.128 -1.345 1.00 0.00 C ATOM 1198 CD1 LEU A 80 -7.752 -6.393 -1.798 1.00 0.00 C ATOM 1199 CD2 LEU A 80 -9.758 -4.918 -2.144 1.00 0.00 C ATOM 0 H LEU A 80 -10.320 -7.074 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.303 -6.469 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.095 -4.116 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.791 -5.261 0.673 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.810 -4.289 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.587 -6.352 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.792 -6.466 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.359 -7.266 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.529 -4.935 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.466 -5.714 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.196 -3.955 -1.882 1.00 0.00 H new ATOM 1211 N ASP A 81 -11.200 -4.956 2.261 1.00 0.00 N ATOM 1212 CA ASP A 81 -12.415 -4.344 2.764 1.00 0.00 C ATOM 1213 C ASP A 81 -12.281 -2.831 2.634 1.00 0.00 C ATOM 1214 O ASP A 81 -11.612 -2.192 3.446 1.00 0.00 O ATOM 1215 CB ASP A 81 -12.605 -4.782 4.220 1.00 0.00 C ATOM 1216 CG ASP A 81 -13.855 -4.177 4.849 1.00 0.00 C ATOM 1217 OD1 ASP A 81 -14.870 -4.046 4.126 1.00 0.00 O ATOM 1218 OD2 ASP A 81 -13.788 -3.852 6.057 1.00 0.00 O ATOM 0 H ASP A 81 -10.428 -4.933 2.927 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.292 -4.656 2.197 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.669 -5.869 4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.731 -4.490 4.802 1.00 0.00 H new ATOM 1223 N ILE A 82 -12.916 -2.261 1.610 1.00 0.00 N ATOM 1224 CA ILE A 82 -12.806 -0.841 1.323 1.00 0.00 C ATOM 1225 C ILE A 82 -14.052 -0.116 1.818 1.00 0.00 C ATOM 1226 O ILE A 82 -15.167 -0.616 1.669 1.00 0.00 O ATOM 1227 CB ILE A 82 -12.579 -0.633 -0.175 1.00 0.00 C ATOM 1228 CG1 ILE A 82 -11.312 -1.366 -0.626 1.00 0.00 C ATOM 1229 CG2 ILE A 82 -12.463 0.857 -0.500 1.00 0.00 C ATOM 1230 CD1 ILE A 82 -11.276 -1.501 -2.144 1.00 0.00 C ATOM 0 H ILE A 82 -13.516 -2.772 0.963 1.00 0.00 H new ATOM 0 HA ILE A 82 -11.949 -0.420 1.849 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.436 -1.041 -0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.431 -0.823 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.275 -2.354 -0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.302 0.984 -1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.382 1.366 -0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.623 1.284 0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.367 -2.025 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.146 -2.065 -2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.289 -0.510 -2.598 1.00 0.00 H new ATOM 1242 N ASN A 83 -13.867 1.063 2.409 1.00 0.00 N ATOM 1243 CA ASN A 83 -14.961 1.829 2.973 1.00 0.00 C ATOM 1244 C ASN A 83 -14.589 3.306 3.030 1.00 0.00 C ATOM 1245 O ASN A 83 -13.413 3.659 2.911 1.00 0.00 O ATOM 1246 CB ASN A 83 -15.247 1.289 4.379 1.00 0.00 C ATOM 1247 CG ASN A 83 -16.597 1.740 4.915 1.00 0.00 C ATOM 1248 OD1 ASN A 83 -17.614 1.102 4.664 1.00 0.00 O ATOM 1249 ND2 ASN A 83 -16.629 2.843 5.653 1.00 0.00 N ATOM 0 H ASN A 83 -12.954 1.508 2.507 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.852 1.732 2.353 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.213 0.200 4.360 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.461 1.620 5.058 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.516 3.180 6.028 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.767 3.353 5.845 1.00 0.00 H new ATOM 1256 N LEU A 84 -15.581 4.181 3.212 1.00 0.00 N ATOM 1257 CA LEU A 84 -15.307 5.590 3.425 1.00 0.00 C ATOM 1258 C LEU A 84 -14.561 5.735 4.752 1.00 0.00 C ATOM 1259 O LEU A 84 -14.665 4.870 5.619 1.00 0.00 O ATOM 1260 CB LEU A 84 -16.608 6.395 3.446 1.00 0.00 C ATOM 1261 CG LEU A 84 -16.517 7.614 2.521 1.00 0.00 C ATOM 1262 CD1 LEU A 84 -16.893 7.238 1.094 1.00 0.00 C ATOM 1263 CD2 LEU A 84 -17.466 8.692 3.029 1.00 0.00 C ATOM 0 H LEU A 84 -16.571 3.934 3.215 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.696 5.978 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.437 5.760 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -16.821 6.722 4.464 1.00 0.00 H new ATOM 0 HG LEU A 84 -15.491 7.983 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -16.821 8.118 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -16.213 6.468 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -17.914 6.858 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.409 9.564 2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -18.486 8.307 3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -17.184 8.977 4.042 1.00 0.00 H new ATOM 1275 N ALA A 85 -13.813 6.821 4.924 1.00 0.00 N ATOM 1276 CA ALA A 85 -12.975 6.988 6.103 1.00 0.00 C ATOM 1277 C ALA A 85 -13.746 7.478 7.332 1.00 0.00 C ATOM 1278 O ALA A 85 -13.161 7.588 8.409 1.00 0.00 O ATOM 1279 CB ALA A 85 -11.844 7.947 5.761 1.00 0.00 C ATOM 0 H ALA A 85 -13.771 7.596 4.262 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.581 6.009 6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -11.206 8.083 6.634 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.254 7.537 4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.260 8.909 5.462 1.00 0.00 H new ATOM 1285 N ALA A 86 -15.041 7.766 7.184 1.00 0.00 N ATOM 1286 CA ALA A 86 -15.860 8.265 8.281 1.00 0.00 C ATOM 1287 C ALA A 86 -17.174 7.492 8.403 1.00 0.00 C ATOM 1288 O ALA A 86 -18.089 7.939 9.096 1.00 0.00 O ATOM 1289 CB ALA A 86 -16.114 9.757 8.080 1.00 0.00 C ATOM 0 H ALA A 86 -15.545 7.659 6.304 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.321 8.115 9.217 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.727 10.135 8.898 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -15.163 10.289 8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.634 9.913 7.135 1.00 0.00 H new