USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 730 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.32! C(o=-1.3!,f=-7.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -115:sc= 1.26 USER MOD Single : A 22 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4!) USER MOD Single : A 28 TYR OH : rot -171:sc= 0.693 USER MOD Single : A 29 LYS NZ :NH3+ 142:sc= 1.2 (180deg=0.95) USER MOD Single : A 30 MET CE :methyl 164:sc= -0.0472 (180deg=-0.4) USER MOD Single : A 32 ASN : amide:sc= -0.0263 K(o=-0.026,f=-1.4!) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 152:sc= 0 (180deg=-0.837) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.327 F(o=-0.87,f=-0.33) USER MOD Single : A 42 THR OG1 : rot 121:sc= 0.441 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= 1.2 (180deg=0.84) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS :FLIP no HE2:sc= 0.118 F(o=-0.5,f=0.12) USER MOD Single : A 58 CYS SG : rot -59:sc= -0.151 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -113:sc= 1.23 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.0451 F(o=-0.75,f=-0.045) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 21:sc= 1.14 USER MOD Single : A 75 SER OG : rot 73:sc= 1.22 USER MOD Single : A 76 CYS SG : rot 32:sc= -4.25! USER MOD Single : A 77 SER OG : rot -47:sc= 1.32 USER MOD Single : A 78 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 SER OG : rot -60:sc= -2.83! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.064) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 73 N PRO A 6 11.385 1.205 -8.744 1.00 0.66 N ATOM 74 CA PRO A 6 11.435 0.417 -7.512 1.00 0.47 C ATOM 75 C PRO A 6 11.243 -1.069 -7.782 1.00 0.48 C ATOM 76 O PRO A 6 10.540 -1.456 -8.718 1.00 0.62 O ATOM 77 CB PRO A 6 10.267 0.958 -6.684 1.00 0.59 C ATOM 78 CG PRO A 6 9.967 2.295 -7.269 1.00 0.87 C ATOM 79 CD PRO A 6 10.273 2.169 -8.731 1.00 0.84 C ATOM 0 HA PRO A 6 12.400 0.505 -7.012 1.00 0.47 H new ATOM 0 HB2 PRO A 6 9.402 0.298 -6.744 1.00 0.59 H new ATOM 0 HB3 PRO A 6 10.534 1.039 -5.630 1.00 0.59 H new ATOM 0 HG2 PRO A 6 8.924 2.569 -7.108 1.00 0.87 H new ATOM 0 HG3 PRO A 6 10.576 3.072 -6.806 1.00 0.87 H new ATOM 0 HD2 PRO A 6 9.414 1.805 -9.295 1.00 0.84 H new ATOM 0 HD3 PRO A 6 10.560 3.125 -9.169 1.00 0.84 H new ATOM 87 N LYS A 7 11.855 -1.898 -6.956 1.00 0.45 N ATOM 88 CA LYS A 7 11.764 -3.332 -7.124 1.00 0.52 C ATOM 89 C LYS A 7 11.094 -3.917 -5.902 1.00 0.42 C ATOM 90 O LYS A 7 11.752 -4.281 -4.929 1.00 0.42 O ATOM 91 CB LYS A 7 13.151 -3.950 -7.333 1.00 0.65 C ATOM 92 CG LYS A 7 13.136 -5.288 -8.066 1.00 1.24 C ATOM 93 CD LYS A 7 13.066 -5.111 -9.582 1.00 1.37 C ATOM 94 CE LYS A 7 11.769 -4.450 -10.031 1.00 1.70 C ATOM 95 NZ LYS A 7 11.772 -4.137 -11.484 1.00 2.49 N ATOM 0 H LYS A 7 12.421 -1.600 -6.162 1.00 0.45 H new ATOM 0 HA LYS A 7 11.173 -3.558 -8.012 1.00 0.52 H new ATOM 0 HB2 LYS A 7 13.768 -3.248 -7.894 1.00 0.65 H new ATOM 0 HB3 LYS A 7 13.626 -4.086 -6.361 1.00 0.65 H new ATOM 0 HG2 LYS A 7 14.032 -5.852 -7.808 1.00 1.24 H new ATOM 0 HG3 LYS A 7 12.282 -5.876 -7.730 1.00 1.24 H new ATOM 0 HD2 LYS A 7 13.911 -4.508 -9.914 1.00 1.37 H new ATOM 0 HD3 LYS A 7 13.160 -6.084 -10.063 1.00 1.37 H new ATOM 0 HE2 LYS A 7 10.930 -5.108 -9.805 1.00 1.70 H new ATOM 0 HE3 LYS A 7 11.616 -3.532 -9.464 1.00 1.70 H new ATOM 0 HZ1 LYS A 7 10.870 -3.689 -11.744 1.00 2.49 H new ATOM 0 HZ2 LYS A 7 12.556 -3.488 -11.698 1.00 2.49 H new ATOM 0 HZ3 LYS A 7 11.892 -5.015 -12.028 1.00 2.49 H new ATOM 109 N ILE A 8 9.776 -3.961 -5.938 1.00 0.41 N ATOM 110 CA ILE A 8 9.013 -4.340 -4.769 1.00 0.34 C ATOM 111 C ILE A 8 8.801 -5.847 -4.738 1.00 0.36 C ATOM 112 O ILE A 8 8.228 -6.426 -5.662 1.00 0.48 O ATOM 113 CB ILE A 8 7.647 -3.624 -4.721 1.00 0.45 C ATOM 114 CG1 ILE A 8 7.802 -2.130 -5.047 1.00 0.72 C ATOM 115 CG2 ILE A 8 7.021 -3.802 -3.346 1.00 0.36 C ATOM 116 CD1 ILE A 8 8.541 -1.341 -3.989 1.00 0.39 C ATOM 0 H ILE A 8 9.215 -3.740 -6.761 1.00 0.41 H new ATOM 0 HA ILE A 8 9.588 -4.035 -3.894 1.00 0.34 H new ATOM 0 HB ILE A 8 6.994 -4.068 -5.472 1.00 0.45 H new ATOM 0 HG12 ILE A 8 8.330 -2.029 -5.995 1.00 0.72 H new ATOM 0 HG13 ILE A 8 6.812 -1.694 -5.185 1.00 0.72 H new ATOM 0 HG21 ILE A 8 6.057 -3.295 -3.317 1.00 0.36 H new ATOM 0 HG22 ILE A 8 6.879 -4.864 -3.146 1.00 0.36 H new ATOM 0 HG23 ILE A 8 7.679 -3.375 -2.589 1.00 0.36 H new ATOM 0 HD11 ILE A 8 8.608 -0.297 -4.294 1.00 0.39 H new ATOM 0 HD12 ILE A 8 8.004 -1.409 -3.043 1.00 0.39 H new ATOM 0 HD13 ILE A 8 9.545 -1.748 -3.866 1.00 0.39 H new ATOM 128 N VAL A 9 9.271 -6.470 -3.672 1.00 0.31 N ATOM 129 CA VAL A 9 9.218 -7.911 -3.531 1.00 0.36 C ATOM 130 C VAL A 9 8.145 -8.310 -2.537 1.00 0.34 C ATOM 131 O VAL A 9 8.120 -7.829 -1.405 1.00 0.47 O ATOM 132 CB VAL A 9 10.569 -8.472 -3.057 1.00 0.41 C ATOM 133 CG1 VAL A 9 10.562 -9.993 -3.077 1.00 0.89 C ATOM 134 CG2 VAL A 9 11.689 -7.919 -3.914 1.00 0.86 C ATOM 0 H VAL A 9 9.700 -5.990 -2.881 1.00 0.31 H new ATOM 0 HA VAL A 9 8.983 -8.326 -4.511 1.00 0.36 H new ATOM 0 HB VAL A 9 10.736 -8.158 -2.027 1.00 0.41 H new ATOM 0 HG11 VAL A 9 11.528 -10.366 -2.738 1.00 0.89 H new ATOM 0 HG12 VAL A 9 9.778 -10.362 -2.416 1.00 0.89 H new ATOM 0 HG13 VAL A 9 10.374 -10.343 -4.092 1.00 0.89 H new ATOM 0 HG21 VAL A 9 12.642 -8.322 -3.571 1.00 0.86 H new ATOM 0 HG22 VAL A 9 11.527 -8.205 -4.953 1.00 0.86 H new ATOM 0 HG23 VAL A 9 11.705 -6.832 -3.835 1.00 0.86 H new ATOM 144 N TRP A 10 7.255 -9.181 -2.964 1.00 0.33 N ATOM 145 CA TRP A 10 6.197 -9.663 -2.100 1.00 0.31 C ATOM 146 C TRP A 10 6.745 -10.661 -1.088 1.00 0.34 C ATOM 147 O TRP A 10 7.119 -11.783 -1.433 1.00 0.42 O ATOM 148 CB TRP A 10 5.079 -10.282 -2.940 1.00 0.38 C ATOM 149 CG TRP A 10 3.962 -10.876 -2.130 1.00 0.41 C ATOM 150 CD1 TRP A 10 3.521 -10.460 -0.906 1.00 0.40 C ATOM 151 CD2 TRP A 10 3.135 -11.987 -2.494 1.00 0.50 C ATOM 152 NE1 TRP A 10 2.488 -11.253 -0.480 1.00 0.46 N ATOM 153 CE2 TRP A 10 2.227 -12.195 -1.440 1.00 0.52 C ATOM 154 CE3 TRP A 10 3.077 -12.828 -3.611 1.00 0.60 C ATOM 155 CZ2 TRP A 10 1.273 -13.210 -1.470 1.00 0.62 C ATOM 156 CZ3 TRP A 10 2.128 -13.831 -3.638 1.00 0.71 C ATOM 157 CH2 TRP A 10 1.237 -14.015 -2.574 1.00 0.72 C ATOM 0 H TRP A 10 7.243 -9.571 -3.907 1.00 0.33 H new ATOM 0 HA TRP A 10 5.782 -8.823 -1.544 1.00 0.31 H new ATOM 0 HB2 TRP A 10 4.669 -9.517 -3.600 1.00 0.38 H new ATOM 0 HB3 TRP A 10 5.504 -11.058 -3.577 1.00 0.38 H new ATOM 0 HD1 TRP A 10 3.928 -9.626 -0.353 1.00 0.40 H new ATOM 0 HE1 TRP A 10 1.994 -11.158 0.407 1.00 0.46 H new ATOM 0 HE3 TRP A 10 3.761 -12.695 -4.436 1.00 0.60 H new ATOM 0 HZ2 TRP A 10 0.586 -13.356 -0.650 1.00 0.62 H new ATOM 0 HZ3 TRP A 10 2.072 -14.485 -4.495 1.00 0.71 H new ATOM 0 HH2 TRP A 10 0.507 -14.809 -2.627 1.00 0.72 H new ATOM 168 N ASN A 11 6.795 -10.232 0.160 1.00 0.34 N ATOM 169 CA ASN A 11 7.253 -11.070 1.249 1.00 0.43 C ATOM 170 C ASN A 11 6.076 -11.883 1.764 1.00 0.45 C ATOM 171 O ASN A 11 5.387 -11.483 2.707 1.00 0.46 O ATOM 172 CB ASN A 11 7.853 -10.211 2.364 1.00 0.47 C ATOM 173 CG ASN A 11 8.574 -11.027 3.418 1.00 0.63 C ATOM 174 OD1 ASN A 11 8.198 -12.159 3.724 1.00 1.39 O ATOM 175 ND2 ASN A 11 9.631 -10.458 3.969 1.00 1.08 N ATOM 0 H ASN A 11 6.519 -9.292 0.445 1.00 0.34 H new ATOM 0 HA ASN A 11 8.032 -11.746 0.897 1.00 0.43 H new ATOM 0 HB2 ASN A 11 8.549 -9.494 1.928 1.00 0.47 H new ATOM 0 HB3 ASN A 11 7.059 -9.635 2.839 1.00 0.47 H new ATOM 0 HD21 ASN A 11 10.169 -10.959 4.676 1.00 1.08 H new ATOM 0 HD22 ASN A 11 9.909 -9.518 3.687 1.00 1.08 H new ATOM 182 N GLU A 12 5.820 -12.991 1.086 1.00 0.53 N ATOM 183 CA GLU A 12 4.700 -13.860 1.370 1.00 0.59 C ATOM 184 C GLU A 12 4.632 -14.272 2.838 1.00 0.62 C ATOM 185 O GLU A 12 3.547 -14.305 3.423 1.00 0.65 O ATOM 186 CB GLU A 12 4.820 -15.095 0.495 1.00 0.76 C ATOM 187 CG GLU A 12 3.502 -15.772 0.248 1.00 1.09 C ATOM 188 CD GLU A 12 3.639 -17.001 -0.615 1.00 1.43 C ATOM 189 OE1 GLU A 12 4.071 -18.049 -0.097 1.00 1.71 O ATOM 190 OE2 GLU A 12 3.309 -16.929 -1.818 1.00 1.92 O ATOM 0 H GLU A 12 6.398 -13.313 0.310 1.00 0.53 H new ATOM 0 HA GLU A 12 3.782 -13.313 1.155 1.00 0.59 H new ATOM 0 HB2 GLU A 12 5.262 -14.814 -0.461 1.00 0.76 H new ATOM 0 HB3 GLU A 12 5.502 -15.802 0.967 1.00 0.76 H new ATOM 0 HG2 GLU A 12 3.055 -16.050 1.203 1.00 1.09 H new ATOM 0 HG3 GLU A 12 2.820 -15.069 -0.231 1.00 1.09 H new ATOM 197 N GLY A 13 5.786 -14.554 3.437 1.00 0.65 N ATOM 198 CA GLY A 13 5.817 -15.050 4.800 1.00 0.73 C ATOM 199 C GLY A 13 5.327 -14.028 5.804 1.00 0.70 C ATOM 200 O GLY A 13 4.953 -14.374 6.921 1.00 0.80 O ATOM 0 H GLY A 13 6.702 -14.447 3.001 1.00 0.65 H new ATOM 0 HA2 GLY A 13 5.201 -15.947 4.870 1.00 0.73 H new ATOM 0 HA3 GLY A 13 6.836 -15.342 5.053 1.00 0.73 H new ATOM 204 N LYS A 14 5.331 -12.766 5.400 1.00 0.59 N ATOM 205 CA LYS A 14 4.894 -11.682 6.267 1.00 0.59 C ATOM 206 C LYS A 14 3.594 -11.074 5.757 1.00 0.51 C ATOM 207 O LYS A 14 3.003 -10.221 6.420 1.00 0.55 O ATOM 208 CB LYS A 14 5.967 -10.588 6.352 1.00 0.61 C ATOM 209 CG LYS A 14 7.149 -10.902 7.263 1.00 0.86 C ATOM 210 CD LYS A 14 7.876 -12.171 6.848 1.00 1.21 C ATOM 211 CE LYS A 14 9.193 -12.332 7.582 1.00 1.26 C ATOM 212 NZ LYS A 14 9.839 -13.638 7.291 1.00 1.79 N ATOM 0 H LYS A 14 5.634 -12.467 4.473 1.00 0.59 H new ATOM 0 HA LYS A 14 4.728 -12.099 7.260 1.00 0.59 H new ATOM 0 HB2 LYS A 14 6.345 -10.394 5.348 1.00 0.61 H new ATOM 0 HB3 LYS A 14 5.497 -9.668 6.699 1.00 0.61 H new ATOM 0 HG2 LYS A 14 7.847 -10.065 7.250 1.00 0.86 H new ATOM 0 HG3 LYS A 14 6.796 -11.007 8.289 1.00 0.86 H new ATOM 0 HD2 LYS A 14 7.241 -13.035 7.047 1.00 1.21 H new ATOM 0 HD3 LYS A 14 8.059 -12.150 5.774 1.00 1.21 H new ATOM 0 HE2 LYS A 14 9.867 -11.524 7.298 1.00 1.26 H new ATOM 0 HE3 LYS A 14 9.023 -12.243 8.655 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 10.736 -13.706 7.813 1.00 1.79 H new ATOM 0 HZ2 LYS A 14 9.208 -14.411 7.585 1.00 1.79 H new ATOM 0 HZ3 LYS A 14 10.026 -13.713 6.271 1.00 1.79 H new ATOM 226 N ARG A 15 3.152 -11.537 4.583 1.00 0.45 N ATOM 227 CA ARG A 15 1.977 -10.975 3.914 1.00 0.44 C ATOM 228 C ARG A 15 2.205 -9.496 3.632 1.00 0.37 C ATOM 229 O ARG A 15 1.371 -8.658 3.966 1.00 0.52 O ATOM 230 CB ARG A 15 0.724 -11.132 4.780 1.00 0.56 C ATOM 231 CG ARG A 15 0.444 -12.551 5.234 1.00 0.66 C ATOM 232 CD ARG A 15 -0.440 -12.545 6.467 1.00 0.87 C ATOM 233 NE ARG A 15 0.179 -11.785 7.556 1.00 1.83 N ATOM 234 CZ ARG A 15 -0.316 -11.697 8.789 1.00 2.36 C ATOM 235 NH1 ARG A 15 -1.457 -12.301 9.099 1.00 2.32 N ATOM 236 NH2 ARG A 15 0.336 -10.996 9.712 1.00 3.42 N ATOM 0 H ARG A 15 3.594 -12.303 4.075 1.00 0.45 H new ATOM 0 HA ARG A 15 1.828 -11.516 2.980 1.00 0.44 H new ATOM 0 HB2 ARG A 15 0.824 -10.496 5.660 1.00 0.56 H new ATOM 0 HB3 ARG A 15 -0.137 -10.767 4.220 1.00 0.56 H new ATOM 0 HG2 ARG A 15 -0.042 -13.107 4.432 1.00 0.66 H new ATOM 0 HG3 ARG A 15 1.382 -13.062 5.453 1.00 0.66 H new ATOM 0 HD2 ARG A 15 -1.409 -12.111 6.221 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -0.623 -13.569 6.792 1.00 0.87 H new ATOM 0 HE ARG A 15 1.048 -11.290 7.356 1.00 1.83 H new ATOM 0 HH11 ARG A 15 -1.960 -12.836 8.391 1.00 2.32 H new ATOM 0 HH12 ARG A 15 -1.831 -12.230 10.045 1.00 2.32 H new ATOM 0 HH21 ARG A 15 1.211 -10.529 9.474 1.00 3.42 H new ATOM 0 HH22 ARG A 15 -0.039 -10.925 10.658 1.00 3.42 H new ATOM 250 N ARG A 16 3.337 -9.167 3.027 1.00 0.27 N ATOM 251 CA ARG A 16 3.691 -7.771 2.839 1.00 0.24 C ATOM 252 C ARG A 16 4.541 -7.570 1.591 1.00 0.23 C ATOM 253 O ARG A 16 5.075 -8.523 1.044 1.00 0.29 O ATOM 254 CB ARG A 16 4.435 -7.276 4.080 1.00 0.33 C ATOM 255 CG ARG A 16 5.893 -7.685 4.156 1.00 0.55 C ATOM 256 CD ARG A 16 6.527 -7.153 5.429 1.00 0.68 C ATOM 257 NE ARG A 16 7.973 -7.351 5.455 1.00 0.91 N ATOM 258 CZ ARG A 16 8.748 -7.023 6.487 1.00 1.02 C ATOM 259 NH1 ARG A 16 8.212 -6.545 7.607 1.00 1.02 N ATOM 260 NH2 ARG A 16 10.060 -7.183 6.394 1.00 1.86 N ATOM 0 H ARG A 16 4.015 -9.837 2.664 1.00 0.27 H new ATOM 0 HA ARG A 16 2.777 -7.194 2.700 1.00 0.24 H new ATOM 0 HB2 ARG A 16 4.376 -6.188 4.111 1.00 0.33 H new ATOM 0 HB3 ARG A 16 3.922 -7.649 4.966 1.00 0.33 H new ATOM 0 HG2 ARG A 16 5.974 -8.772 4.128 1.00 0.55 H new ATOM 0 HG3 ARG A 16 6.430 -7.303 3.288 1.00 0.55 H new ATOM 0 HD2 ARG A 16 6.307 -6.090 5.525 1.00 0.68 H new ATOM 0 HD3 ARG A 16 6.079 -7.650 6.290 1.00 0.68 H new ATOM 0 HE ARG A 16 8.416 -7.765 4.635 1.00 0.91 H new ATOM 0 HH11 ARG A 16 7.201 -6.428 7.679 1.00 1.02 H new ATOM 0 HH12 ARG A 16 8.812 -6.296 8.394 1.00 1.02 H new ATOM 0 HH21 ARG A 16 10.469 -7.555 5.537 1.00 1.86 H new ATOM 0 HH22 ARG A 16 10.661 -6.934 7.180 1.00 1.86 H new ATOM 274 N PHE A 17 4.656 -6.331 1.142 1.00 0.23 N ATOM 275 CA PHE A 17 5.524 -6.007 0.021 1.00 0.24 C ATOM 276 C PHE A 17 6.727 -5.222 0.519 1.00 0.30 C ATOM 277 O PHE A 17 6.580 -4.261 1.269 1.00 0.55 O ATOM 278 CB PHE A 17 4.785 -5.191 -1.042 1.00 0.28 C ATOM 279 CG PHE A 17 3.491 -5.798 -1.496 1.00 0.29 C ATOM 280 CD1 PHE A 17 3.477 -6.976 -2.224 1.00 0.33 C ATOM 281 CD2 PHE A 17 2.287 -5.185 -1.193 1.00 0.34 C ATOM 282 CE1 PHE A 17 2.284 -7.532 -2.642 1.00 0.39 C ATOM 283 CE2 PHE A 17 1.092 -5.738 -1.607 1.00 0.40 C ATOM 284 CZ PHE A 17 1.090 -6.912 -2.334 1.00 0.41 C ATOM 0 H PHE A 17 4.159 -5.532 1.537 1.00 0.23 H new ATOM 0 HA PHE A 17 5.850 -6.942 -0.435 1.00 0.24 H new ATOM 0 HB2 PHE A 17 4.587 -4.195 -0.646 1.00 0.28 H new ATOM 0 HB3 PHE A 17 5.437 -5.066 -1.906 1.00 0.28 H new ATOM 0 HD1 PHE A 17 4.409 -7.465 -2.467 1.00 0.33 H new ATOM 0 HD2 PHE A 17 2.283 -4.265 -0.627 1.00 0.34 H new ATOM 0 HE1 PHE A 17 2.285 -8.451 -3.209 1.00 0.39 H new ATOM 0 HE2 PHE A 17 0.159 -5.253 -1.362 1.00 0.40 H new ATOM 0 HZ PHE A 17 0.156 -7.344 -2.661 1.00 0.41 H new ATOM 294 N GLU A 18 7.907 -5.643 0.107 1.00 0.22 N ATOM 295 CA GLU A 18 9.149 -5.011 0.519 1.00 0.25 C ATOM 296 C GLU A 18 9.827 -4.365 -0.669 1.00 0.29 C ATOM 297 O GLU A 18 10.007 -4.997 -1.699 1.00 0.39 O ATOM 298 CB GLU A 18 10.070 -6.057 1.134 1.00 0.34 C ATOM 299 CG GLU A 18 10.343 -5.853 2.608 1.00 1.08 C ATOM 300 CD GLU A 18 11.088 -7.025 3.205 1.00 0.96 C ATOM 301 OE1 GLU A 18 12.323 -7.100 3.032 1.00 0.85 O ATOM 302 OE2 GLU A 18 10.450 -7.875 3.856 1.00 1.16 O ATOM 0 H GLU A 18 8.034 -6.434 -0.524 1.00 0.22 H new ATOM 0 HA GLU A 18 8.929 -4.240 1.257 1.00 0.25 H new ATOM 0 HB2 GLU A 18 9.628 -7.043 0.991 1.00 0.34 H new ATOM 0 HB3 GLU A 18 11.018 -6.051 0.596 1.00 0.34 H new ATOM 0 HG2 GLU A 18 10.925 -4.942 2.748 1.00 1.08 H new ATOM 0 HG3 GLU A 18 9.400 -5.713 3.137 1.00 1.08 H new ATOM 309 N THR A 19 10.204 -3.112 -0.526 1.00 0.25 N ATOM 310 CA THR A 19 10.844 -2.394 -1.613 1.00 0.29 C ATOM 311 C THR A 19 12.262 -2.922 -1.849 1.00 0.35 C ATOM 312 O THR A 19 12.730 -3.819 -1.142 1.00 0.37 O ATOM 313 CB THR A 19 10.874 -0.877 -1.319 1.00 0.33 C ATOM 314 OG1 THR A 19 11.260 -0.149 -2.492 1.00 0.46 O ATOM 315 CG2 THR A 19 11.829 -0.553 -0.185 1.00 0.37 C ATOM 0 H THR A 19 10.080 -2.569 0.329 1.00 0.25 H new ATOM 0 HA THR A 19 10.261 -2.558 -2.520 1.00 0.29 H new ATOM 0 HB THR A 19 9.869 -0.580 -1.020 1.00 0.33 H new ATOM 0 HG1 THR A 19 12.119 0.296 -2.333 1.00 0.46 H new ATOM 0 HG21 THR A 19 11.827 0.522 -0.003 1.00 0.37 H new ATOM 0 HG22 THR A 19 11.512 -1.074 0.718 1.00 0.37 H new ATOM 0 HG23 THR A 19 12.835 -0.873 -0.454 1.00 0.37 H new ATOM 323 N GLU A 20 12.943 -2.340 -2.827 1.00 0.43 N ATOM 324 CA GLU A 20 14.311 -2.719 -3.180 1.00 0.53 C ATOM 325 C GLU A 20 15.281 -2.457 -2.029 1.00 0.56 C ATOM 326 O GLU A 20 16.442 -2.864 -2.056 1.00 0.68 O ATOM 327 CB GLU A 20 14.742 -1.958 -4.441 1.00 0.62 C ATOM 328 CG GLU A 20 14.218 -0.521 -4.536 1.00 0.77 C ATOM 329 CD GLU A 20 14.598 0.355 -3.356 1.00 1.31 C ATOM 330 OE1 GLU A 20 15.739 0.855 -3.320 1.00 1.83 O ATOM 331 OE2 GLU A 20 13.749 0.555 -2.465 1.00 1.90 O ATOM 0 H GLU A 20 12.563 -1.588 -3.402 1.00 0.43 H new ATOM 0 HA GLU A 20 14.334 -3.790 -3.380 1.00 0.53 H new ATOM 0 HB2 GLU A 20 15.831 -1.936 -4.480 1.00 0.62 H new ATOM 0 HB3 GLU A 20 14.403 -2.512 -5.316 1.00 0.62 H new ATOM 0 HG2 GLU A 20 14.599 -0.066 -5.450 1.00 0.77 H new ATOM 0 HG3 GLU A 20 13.132 -0.546 -4.621 1.00 0.77 H new ATOM 338 N ASP A 21 14.766 -1.787 -1.022 1.00 0.52 N ATOM 339 CA ASP A 21 15.535 -1.395 0.148 1.00 0.60 C ATOM 340 C ASP A 21 15.323 -2.391 1.272 1.00 0.54 C ATOM 341 O ASP A 21 16.178 -2.555 2.136 1.00 0.59 O ATOM 342 CB ASP A 21 15.095 0.005 0.584 1.00 0.67 C ATOM 343 CG ASP A 21 16.110 0.717 1.442 1.00 0.97 C ATOM 344 OD1 ASP A 21 16.156 0.454 2.651 1.00 1.31 O ATOM 345 OD2 ASP A 21 16.852 1.564 0.902 1.00 1.39 O ATOM 0 H ASP A 21 13.790 -1.493 -0.988 1.00 0.52 H new ATOM 0 HA ASP A 21 16.597 -1.382 -0.098 1.00 0.60 H new ATOM 0 HB2 ASP A 21 14.895 0.607 -0.303 1.00 0.67 H new ATOM 0 HB3 ASP A 21 14.157 -0.073 1.134 1.00 0.67 H new ATOM 350 N HIS A 22 14.166 -3.058 1.237 1.00 0.45 N ATOM 351 CA HIS A 22 13.779 -4.061 2.240 1.00 0.45 C ATOM 352 C HIS A 22 13.519 -3.436 3.607 1.00 0.44 C ATOM 353 O HIS A 22 13.032 -4.104 4.522 1.00 0.51 O ATOM 354 CB HIS A 22 14.830 -5.170 2.351 1.00 0.57 C ATOM 355 CG HIS A 22 14.869 -6.067 1.157 1.00 0.64 C ATOM 356 ND1 HIS A 22 14.105 -7.206 1.051 1.00 0.65 N ATOM 357 CD2 HIS A 22 15.582 -5.985 0.011 1.00 0.74 C ATOM 358 CE1 HIS A 22 14.348 -7.791 -0.107 1.00 0.76 C ATOM 359 NE2 HIS A 22 15.242 -7.068 -0.758 1.00 0.82 N ATOM 0 H HIS A 22 13.466 -2.918 0.509 1.00 0.45 H new ATOM 0 HA HIS A 22 12.844 -4.503 1.896 1.00 0.45 H new ATOM 0 HB2 HIS A 22 15.812 -4.718 2.490 1.00 0.57 H new ATOM 0 HB3 HIS A 22 14.626 -5.767 3.239 1.00 0.57 H new ATOM 0 HD1 HIS A 22 13.452 -7.546 1.757 1.00 0.65 H new ATOM 0 HD2 HIS A 22 16.288 -5.210 -0.250 1.00 0.74 H new ATOM 0 HE1 HIS A 22 13.894 -8.704 -0.462 1.00 0.76 H new ATOM 368 N GLU A 23 13.840 -2.160 3.746 1.00 0.47 N ATOM 369 CA GLU A 23 13.575 -1.437 4.975 1.00 0.52 C ATOM 370 C GLU A 23 12.243 -0.729 4.867 1.00 0.40 C ATOM 371 O GLU A 23 11.591 -0.428 5.867 1.00 0.49 O ATOM 372 CB GLU A 23 14.693 -0.437 5.250 1.00 0.69 C ATOM 373 CG GLU A 23 16.055 -1.090 5.367 1.00 0.84 C ATOM 374 CD GLU A 23 16.086 -2.135 6.466 1.00 1.51 C ATOM 375 OE1 GLU A 23 15.753 -1.805 7.622 1.00 1.72 O ATOM 376 OE2 GLU A 23 16.465 -3.294 6.180 1.00 2.28 O ATOM 0 H GLU A 23 14.287 -1.603 3.018 1.00 0.47 H new ATOM 0 HA GLU A 23 13.536 -2.141 5.806 1.00 0.52 H new ATOM 0 HB2 GLU A 23 14.718 0.301 4.449 1.00 0.69 H new ATOM 0 HB3 GLU A 23 14.473 0.101 6.172 1.00 0.69 H new ATOM 0 HG2 GLU A 23 16.318 -1.554 4.417 1.00 0.84 H new ATOM 0 HG3 GLU A 23 16.807 -0.328 5.569 1.00 0.84 H new ATOM 383 N ALA A 24 11.849 -0.463 3.636 1.00 0.29 N ATOM 384 CA ALA A 24 10.534 0.061 3.360 1.00 0.22 C ATOM 385 C ALA A 24 9.626 -1.071 2.930 1.00 0.17 C ATOM 386 O ALA A 24 9.965 -1.841 2.027 1.00 0.19 O ATOM 387 CB ALA A 24 10.591 1.133 2.289 1.00 0.26 C ATOM 0 H ALA A 24 12.429 -0.604 2.809 1.00 0.29 H new ATOM 0 HA ALA A 24 10.138 0.519 4.266 1.00 0.22 H new ATOM 0 HB1 ALA A 24 9.587 1.512 2.099 1.00 0.26 H new ATOM 0 HB2 ALA A 24 11.229 1.950 2.626 1.00 0.26 H new ATOM 0 HB3 ALA A 24 10.998 0.709 1.371 1.00 0.26 H new ATOM 393 N PHE A 25 8.488 -1.179 3.576 1.00 0.14 N ATOM 394 CA PHE A 25 7.567 -2.263 3.310 1.00 0.15 C ATOM 395 C PHE A 25 6.148 -1.845 3.616 1.00 0.15 C ATOM 396 O PHE A 25 5.913 -0.833 4.282 1.00 0.17 O ATOM 397 CB PHE A 25 7.917 -3.499 4.145 1.00 0.23 C ATOM 398 CG PHE A 25 7.919 -3.261 5.631 1.00 0.30 C ATOM 399 CD1 PHE A 25 9.057 -2.787 6.268 1.00 0.37 C ATOM 400 CD2 PHE A 25 6.786 -3.507 6.389 1.00 0.39 C ATOM 401 CE1 PHE A 25 9.064 -2.567 7.630 1.00 0.47 C ATOM 402 CE2 PHE A 25 6.787 -3.288 7.753 1.00 0.49 C ATOM 403 CZ PHE A 25 7.920 -2.824 8.376 1.00 0.52 C ATOM 0 H PHE A 25 8.175 -0.526 4.294 1.00 0.14 H new ATOM 0 HA PHE A 25 7.652 -2.512 2.252 1.00 0.15 H new ATOM 0 HB2 PHE A 25 7.204 -4.291 3.917 1.00 0.23 H new ATOM 0 HB3 PHE A 25 8.901 -3.859 3.845 1.00 0.23 H new ATOM 0 HD1 PHE A 25 9.948 -2.588 5.691 1.00 0.37 H new ATOM 0 HD2 PHE A 25 5.891 -3.874 5.908 1.00 0.39 H new ATOM 0 HE1 PHE A 25 9.955 -2.196 8.115 1.00 0.47 H new ATOM 0 HE2 PHE A 25 5.895 -3.482 8.331 1.00 0.49 H new ATOM 0 HZ PHE A 25 7.922 -2.659 9.443 1.00 0.52 H new ATOM 413 N ILE A 26 5.213 -2.624 3.118 1.00 0.20 N ATOM 414 CA ILE A 26 3.825 -2.466 3.467 1.00 0.23 C ATOM 415 C ILE A 26 3.232 -3.828 3.765 1.00 0.23 C ATOM 416 O ILE A 26 3.431 -4.774 3.004 1.00 0.26 O ATOM 417 CB ILE A 26 3.029 -1.743 2.353 1.00 0.31 C ATOM 418 CG1 ILE A 26 2.306 -0.555 2.964 1.00 0.41 C ATOM 419 CG2 ILE A 26 2.042 -2.667 1.638 1.00 0.39 C ATOM 420 CD1 ILE A 26 1.326 0.106 2.030 1.00 0.73 C ATOM 0 H ILE A 26 5.397 -3.382 2.461 1.00 0.20 H new ATOM 0 HA ILE A 26 3.757 -1.837 4.355 1.00 0.23 H new ATOM 0 HB ILE A 26 3.734 -1.407 1.593 1.00 0.31 H new ATOM 0 HG12 ILE A 26 1.776 -0.884 3.858 1.00 0.41 H new ATOM 0 HG13 ILE A 26 3.043 0.182 3.284 1.00 0.41 H new ATOM 0 HG21 ILE A 26 1.512 -2.107 0.868 1.00 0.39 H new ATOM 0 HG22 ILE A 26 2.585 -3.493 1.178 1.00 0.39 H new ATOM 0 HG23 ILE A 26 1.325 -3.061 2.358 1.00 0.39 H new ATOM 0 HD11 ILE A 26 0.849 0.945 2.537 1.00 0.73 H new ATOM 0 HD12 ILE A 26 1.852 0.467 1.147 1.00 0.73 H new ATOM 0 HD13 ILE A 26 0.566 -0.615 1.730 1.00 0.73 H new ATOM 432 N GLU A 27 2.548 -3.936 4.887 1.00 0.22 N ATOM 433 CA GLU A 27 1.930 -5.189 5.272 1.00 0.23 C ATOM 434 C GLU A 27 0.466 -5.165 4.862 1.00 0.22 C ATOM 435 O GLU A 27 -0.078 -4.100 4.583 1.00 0.27 O ATOM 436 CB GLU A 27 2.057 -5.400 6.786 1.00 0.26 C ATOM 437 CG GLU A 27 1.447 -6.698 7.281 1.00 0.65 C ATOM 438 CD GLU A 27 1.380 -6.766 8.785 1.00 1.14 C ATOM 439 OE1 GLU A 27 2.372 -7.188 9.412 1.00 1.23 O ATOM 440 OE2 GLU A 27 0.336 -6.391 9.352 1.00 1.65 O ATOM 0 H GLU A 27 2.406 -3.172 5.547 1.00 0.22 H new ATOM 0 HA GLU A 27 2.434 -6.015 4.770 1.00 0.23 H new ATOM 0 HB2 GLU A 27 3.112 -5.379 7.058 1.00 0.26 H new ATOM 0 HB3 GLU A 27 1.579 -4.566 7.300 1.00 0.26 H new ATOM 0 HG2 GLU A 27 0.443 -6.804 6.870 1.00 0.65 H new ATOM 0 HG3 GLU A 27 2.034 -7.537 6.908 1.00 0.65 H new ATOM 447 N TYR A 28 -0.160 -6.325 4.790 1.00 0.23 N ATOM 448 CA TYR A 28 -1.585 -6.386 4.545 1.00 0.22 C ATOM 449 C TYR A 28 -2.153 -7.702 5.064 1.00 0.28 C ATOM 450 O TYR A 28 -1.450 -8.710 5.129 1.00 0.45 O ATOM 451 CB TYR A 28 -1.887 -6.209 3.045 1.00 0.29 C ATOM 452 CG TYR A 28 -1.504 -7.393 2.182 1.00 0.35 C ATOM 453 CD1 TYR A 28 -2.387 -8.445 1.980 1.00 0.44 C ATOM 454 CD2 TYR A 28 -0.257 -7.457 1.570 1.00 0.40 C ATOM 455 CE1 TYR A 28 -2.041 -9.525 1.192 1.00 0.56 C ATOM 456 CE2 TYR A 28 0.096 -8.533 0.780 1.00 0.50 C ATOM 457 CZ TYR A 28 -0.804 -9.570 0.601 1.00 0.60 C ATOM 458 OH TYR A 28 -0.453 -10.633 -0.197 1.00 0.70 O ATOM 0 H TYR A 28 0.295 -7.232 4.897 1.00 0.23 H new ATOM 0 HA TYR A 28 -2.066 -5.569 5.082 1.00 0.22 H new ATOM 0 HB2 TYR A 28 -2.953 -6.016 2.922 1.00 0.29 H new ATOM 0 HB3 TYR A 28 -1.360 -5.326 2.683 1.00 0.29 H new ATOM 0 HD1 TYR A 28 -3.361 -8.418 2.447 1.00 0.44 H new ATOM 0 HD2 TYR A 28 0.447 -6.651 1.715 1.00 0.40 H new ATOM 0 HE1 TYR A 28 -2.743 -10.332 1.041 1.00 0.56 H new ATOM 0 HE2 TYR A 28 1.066 -8.566 0.306 1.00 0.50 H new ATOM 0 HH TYR A 28 0.500 -10.576 -0.417 1.00 0.70 H new ATOM 468 N LYS A 29 -3.412 -7.683 5.463 1.00 0.24 N ATOM 469 CA LYS A 29 -4.091 -8.899 5.869 1.00 0.32 C ATOM 470 C LYS A 29 -5.500 -8.908 5.316 1.00 0.25 C ATOM 471 O LYS A 29 -6.174 -7.879 5.295 1.00 0.31 O ATOM 472 CB LYS A 29 -4.124 -9.055 7.396 1.00 0.49 C ATOM 473 CG LYS A 29 -4.789 -7.908 8.142 1.00 0.58 C ATOM 474 CD LYS A 29 -3.767 -7.018 8.829 1.00 0.74 C ATOM 475 CE LYS A 29 -2.884 -7.808 9.780 1.00 1.09 C ATOM 476 NZ LYS A 29 -1.924 -6.942 10.515 1.00 1.52 N ATOM 0 H LYS A 29 -3.984 -6.840 5.514 1.00 0.24 H new ATOM 0 HA LYS A 29 -3.532 -9.743 5.465 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -4.646 -9.980 7.641 1.00 0.49 H new ATOM 0 HB3 LYS A 29 -3.101 -9.161 7.758 1.00 0.49 H new ATOM 0 HG2 LYS A 29 -5.379 -7.314 7.444 1.00 0.58 H new ATOM 0 HG3 LYS A 29 -5.480 -8.308 8.884 1.00 0.58 H new ATOM 0 HD2 LYS A 29 -3.147 -6.529 8.078 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -4.282 -6.230 9.379 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -3.511 -8.340 10.496 1.00 1.09 H new ATOM 0 HE3 LYS A 29 -2.332 -8.561 9.218 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 -1.826 -7.284 11.492 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -0.998 -6.972 10.043 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 -2.276 -5.963 10.524 1.00 1.52 H new ATOM 490 N MET A 30 -5.939 -10.060 4.850 1.00 0.32 N ATOM 491 CA MET A 30 -7.284 -10.176 4.321 1.00 0.27 C ATOM 492 C MET A 30 -8.281 -10.349 5.467 1.00 0.30 C ATOM 493 O MET A 30 -8.245 -11.329 6.212 1.00 0.39 O ATOM 494 CB MET A 30 -7.385 -11.327 3.314 1.00 0.36 C ATOM 495 CG MET A 30 -7.057 -12.686 3.898 1.00 1.00 C ATOM 496 SD MET A 30 -7.324 -14.034 2.725 1.00 1.12 S ATOM 497 CE MET A 30 -6.108 -13.638 1.470 1.00 1.85 C ATOM 0 H MET A 30 -5.392 -10.920 4.826 1.00 0.32 H new ATOM 0 HA MET A 30 -7.529 -9.259 3.786 1.00 0.27 H new ATOM 0 HB2 MET A 30 -8.396 -11.352 2.906 1.00 0.36 H new ATOM 0 HB3 MET A 30 -6.710 -11.128 2.481 1.00 0.36 H new ATOM 0 HG2 MET A 30 -6.017 -12.695 4.224 1.00 1.00 H new ATOM 0 HG3 MET A 30 -7.670 -12.854 4.783 1.00 1.00 H new ATOM 0 HE1 MET A 30 -5.947 -14.507 0.832 1.00 1.85 H new ATOM 0 HE2 MET A 30 -6.467 -12.806 0.865 1.00 1.85 H new ATOM 0 HE3 MET A 30 -5.169 -13.360 1.948 1.00 1.85 H new ATOM 507 N ARG A 31 -9.146 -9.365 5.610 1.00 0.29 N ATOM 508 CA ARG A 31 -10.144 -9.337 6.661 1.00 0.39 C ATOM 509 C ARG A 31 -11.503 -9.715 6.100 1.00 0.42 C ATOM 510 O ARG A 31 -11.721 -9.647 4.886 1.00 0.38 O ATOM 511 CB ARG A 31 -10.217 -7.935 7.276 1.00 0.46 C ATOM 512 CG ARG A 31 -8.998 -7.556 8.104 1.00 0.67 C ATOM 513 CD ARG A 31 -9.017 -6.083 8.491 1.00 0.66 C ATOM 514 NE ARG A 31 -10.249 -5.700 9.189 1.00 0.98 N ATOM 515 CZ ARG A 31 -10.511 -4.460 9.613 1.00 1.28 C ATOM 516 NH1 ARG A 31 -9.633 -3.486 9.418 1.00 1.41 N ATOM 517 NH2 ARG A 31 -11.661 -4.192 10.218 1.00 2.03 N ATOM 0 H ARG A 31 -9.176 -8.553 4.993 1.00 0.29 H new ATOM 0 HA ARG A 31 -9.861 -10.055 7.431 1.00 0.39 H new ATOM 0 HB2 ARG A 31 -10.341 -7.205 6.476 1.00 0.46 H new ATOM 0 HB3 ARG A 31 -11.105 -7.872 7.906 1.00 0.46 H new ATOM 0 HG2 ARG A 31 -8.965 -8.169 9.005 1.00 0.67 H new ATOM 0 HG3 ARG A 31 -8.092 -7.772 7.538 1.00 0.67 H new ATOM 0 HD2 ARG A 31 -8.160 -5.868 9.129 1.00 0.66 H new ATOM 0 HD3 ARG A 31 -8.907 -5.474 7.594 1.00 0.66 H new ATOM 0 HE ARG A 31 -10.947 -6.423 9.361 1.00 0.98 H new ATOM 0 HH11 ARG A 31 -8.752 -3.681 8.942 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -9.838 -2.541 9.744 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -12.347 -4.933 10.360 1.00 2.03 H new ATOM 0 HH22 ARG A 31 -11.859 -3.245 10.541 1.00 2.03 H new ATOM 531 N ASN A 32 -12.399 -10.122 6.989 1.00 0.55 N ATOM 532 CA ASN A 32 -13.784 -10.426 6.633 1.00 0.64 C ATOM 533 C ASN A 32 -13.845 -11.540 5.593 1.00 0.65 C ATOM 534 O ASN A 32 -14.149 -11.292 4.430 1.00 0.66 O ATOM 535 CB ASN A 32 -14.487 -9.168 6.102 1.00 0.64 C ATOM 536 CG ASN A 32 -15.999 -9.306 6.095 1.00 0.77 C ATOM 537 OD1 ASN A 32 -16.569 -10.071 6.871 1.00 1.15 O ATOM 538 ND2 ASN A 32 -16.660 -8.544 5.238 1.00 0.99 N ATOM 0 H ASN A 32 -12.189 -10.252 7.979 1.00 0.55 H new ATOM 0 HA ASN A 32 -14.299 -10.766 7.531 1.00 0.64 H new ATOM 0 HB2 ASN A 32 -14.206 -8.312 6.716 1.00 0.64 H new ATOM 0 HB3 ASN A 32 -14.140 -8.961 5.090 1.00 0.64 H new ATOM 0 HD21 ASN A 32 -17.679 -8.579 5.205 1.00 0.99 H new ATOM 0 HD22 ASN A 32 -16.150 -7.922 4.610 1.00 0.99 H new ATOM 545 N ASN A 33 -13.500 -12.759 6.014 1.00 0.73 N ATOM 546 CA ASN A 33 -13.488 -13.937 5.128 1.00 0.83 C ATOM 547 C ASN A 33 -12.482 -13.776 3.991 1.00 0.78 C ATOM 548 O ASN A 33 -12.479 -14.551 3.031 1.00 1.04 O ATOM 549 CB ASN A 33 -14.879 -14.216 4.547 1.00 0.95 C ATOM 550 CG ASN A 33 -15.857 -14.732 5.580 1.00 1.62 C ATOM 551 OD1 ASN A 33 -15.468 -15.368 6.558 1.00 1.82 O ATOM 552 ND2 ASN A 33 -17.135 -14.479 5.359 1.00 2.33 N ATOM 0 H ASN A 33 -13.221 -12.962 6.974 1.00 0.73 H new ATOM 0 HA ASN A 33 -13.187 -14.786 5.742 1.00 0.83 H new ATOM 0 HB2 ASN A 33 -15.273 -13.300 4.106 1.00 0.95 H new ATOM 0 HB3 ASN A 33 -14.791 -14.945 3.741 1.00 0.95 H new ATOM 0 HD21 ASN A 33 -17.842 -14.815 6.013 1.00 2.33 H new ATOM 0 HD22 ASN A 33 -17.415 -13.947 4.535 1.00 2.33 H new ATOM 559 N GLY A 34 -11.625 -12.772 4.103 1.00 0.55 N ATOM 560 CA GLY A 34 -10.638 -12.527 3.077 1.00 0.52 C ATOM 561 C GLY A 34 -11.205 -11.731 1.921 1.00 0.48 C ATOM 562 O GLY A 34 -10.715 -11.819 0.796 1.00 0.62 O ATOM 0 H GLY A 34 -11.597 -12.122 4.889 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -9.794 -11.989 3.508 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -10.255 -13.479 2.708 1.00 0.52 H new ATOM 566 N LYS A 35 -12.248 -10.960 2.194 1.00 0.40 N ATOM 567 CA LYS A 35 -12.862 -10.132 1.165 1.00 0.40 C ATOM 568 C LYS A 35 -12.183 -8.774 1.113 1.00 0.28 C ATOM 569 O LYS A 35 -12.143 -8.122 0.069 1.00 0.28 O ATOM 570 CB LYS A 35 -14.364 -9.948 1.424 1.00 0.52 C ATOM 571 CG LYS A 35 -15.123 -11.252 1.603 1.00 0.67 C ATOM 572 CD LYS A 35 -14.934 -12.180 0.418 1.00 0.85 C ATOM 573 CE LYS A 35 -15.484 -13.565 0.705 1.00 1.14 C ATOM 574 NZ LYS A 35 -15.214 -14.509 -0.406 1.00 1.60 N ATOM 0 H LYS A 35 -12.685 -10.890 3.113 1.00 0.40 H new ATOM 0 HA LYS A 35 -12.737 -10.639 0.208 1.00 0.40 H new ATOM 0 HB2 LYS A 35 -14.496 -9.337 2.317 1.00 0.52 H new ATOM 0 HB3 LYS A 35 -14.801 -9.396 0.592 1.00 0.52 H new ATOM 0 HG2 LYS A 35 -14.783 -11.749 2.512 1.00 0.67 H new ATOM 0 HG3 LYS A 35 -16.184 -11.040 1.733 1.00 0.67 H new ATOM 0 HD2 LYS A 35 -15.434 -11.763 -0.456 1.00 0.85 H new ATOM 0 HD3 LYS A 35 -13.874 -12.251 0.175 1.00 0.85 H new ATOM 0 HE2 LYS A 35 -15.040 -13.949 1.623 1.00 1.14 H new ATOM 0 HE3 LYS A 35 -16.559 -13.501 0.874 1.00 1.14 H new ATOM 0 HZ1 LYS A 35 -15.606 -15.443 -0.171 1.00 1.60 H new ATOM 0 HZ2 LYS A 35 -15.659 -14.156 -1.277 1.00 1.60 H new ATOM 0 HZ3 LYS A 35 -14.187 -14.590 -0.551 1.00 1.60 H new ATOM 588 N VAL A 36 -11.641 -8.360 2.250 1.00 0.25 N ATOM 589 CA VAL A 36 -11.020 -7.053 2.366 1.00 0.19 C ATOM 590 C VAL A 36 -9.532 -7.173 2.663 1.00 0.16 C ATOM 591 O VAL A 36 -9.137 -7.817 3.618 1.00 0.22 O ATOM 592 CB VAL A 36 -11.705 -6.229 3.481 1.00 0.24 C ATOM 593 CG1 VAL A 36 -10.896 -4.989 3.824 1.00 0.31 C ATOM 594 CG2 VAL A 36 -13.111 -5.836 3.056 1.00 0.30 C ATOM 0 H VAL A 36 -11.620 -8.914 3.106 1.00 0.25 H new ATOM 0 HA VAL A 36 -11.142 -6.543 1.410 1.00 0.19 H new ATOM 0 HB VAL A 36 -11.763 -6.853 4.373 1.00 0.24 H new ATOM 0 HG11 VAL A 36 -11.403 -4.430 4.611 1.00 0.31 H new ATOM 0 HG12 VAL A 36 -9.905 -5.285 4.169 1.00 0.31 H new ATOM 0 HG13 VAL A 36 -10.799 -4.361 2.938 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -13.582 -5.256 3.850 1.00 0.30 H new ATOM 0 HG22 VAL A 36 -13.062 -5.235 2.148 1.00 0.30 H new ATOM 0 HG23 VAL A 36 -13.698 -6.734 2.865 1.00 0.30 H new ATOM 604 N MET A 37 -8.709 -6.554 1.840 1.00 0.15 N ATOM 605 CA MET A 37 -7.281 -6.496 2.102 1.00 0.18 C ATOM 606 C MET A 37 -6.943 -5.247 2.887 1.00 0.16 C ATOM 607 O MET A 37 -7.062 -4.131 2.389 1.00 0.17 O ATOM 608 CB MET A 37 -6.465 -6.537 0.804 1.00 0.24 C ATOM 609 CG MET A 37 -6.269 -7.940 0.258 1.00 0.51 C ATOM 610 SD MET A 37 -5.099 -7.998 -1.115 1.00 1.03 S ATOM 611 CE MET A 37 -5.007 -9.762 -1.399 1.00 1.66 C ATOM 0 H MET A 37 -9.003 -6.084 0.984 1.00 0.15 H new ATOM 0 HA MET A 37 -7.018 -7.375 2.690 1.00 0.18 H new ATOM 0 HB2 MET A 37 -6.965 -5.929 0.050 1.00 0.24 H new ATOM 0 HB3 MET A 37 -5.489 -6.085 0.983 1.00 0.24 H new ATOM 0 HG2 MET A 37 -5.916 -8.590 1.058 1.00 0.51 H new ATOM 0 HG3 MET A 37 -7.230 -8.334 -0.072 1.00 0.51 H new ATOM 0 HE1 MET A 37 -4.764 -9.950 -2.445 1.00 1.66 H new ATOM 0 HE2 MET A 37 -4.233 -10.193 -0.764 1.00 1.66 H new ATOM 0 HE3 MET A 37 -5.968 -10.219 -1.162 1.00 1.66 H new ATOM 621 N ASP A 38 -6.541 -5.443 4.126 1.00 0.17 N ATOM 622 CA ASP A 38 -6.177 -4.337 4.986 1.00 0.18 C ATOM 623 C ASP A 38 -4.714 -4.005 4.799 1.00 0.18 C ATOM 624 O ASP A 38 -3.841 -4.766 5.205 1.00 0.20 O ATOM 625 CB ASP A 38 -6.452 -4.687 6.448 1.00 0.24 C ATOM 626 CG ASP A 38 -6.423 -3.476 7.370 1.00 0.32 C ATOM 627 OD1 ASP A 38 -5.542 -2.601 7.215 1.00 0.97 O ATOM 628 OD2 ASP A 38 -7.289 -3.396 8.267 1.00 0.81 O ATOM 0 H ASP A 38 -6.458 -6.362 4.561 1.00 0.17 H new ATOM 0 HA ASP A 38 -6.779 -3.469 4.718 1.00 0.18 H new ATOM 0 HB2 ASP A 38 -7.427 -5.169 6.522 1.00 0.24 H new ATOM 0 HB3 ASP A 38 -5.712 -5.412 6.787 1.00 0.24 H new ATOM 633 N LEU A 39 -4.462 -2.880 4.159 1.00 0.18 N ATOM 634 CA LEU A 39 -3.110 -2.408 3.937 1.00 0.19 C ATOM 635 C LEU A 39 -2.576 -1.813 5.222 1.00 0.20 C ATOM 636 O LEU A 39 -2.910 -0.688 5.593 1.00 0.28 O ATOM 637 CB LEU A 39 -3.072 -1.380 2.801 1.00 0.20 C ATOM 638 CG LEU A 39 -3.113 -1.956 1.380 1.00 0.19 C ATOM 639 CD1 LEU A 39 -4.194 -3.015 1.225 1.00 0.18 C ATOM 640 CD2 LEU A 39 -3.331 -0.838 0.374 1.00 0.22 C ATOM 0 H LEU A 39 -5.186 -2.270 3.780 1.00 0.18 H new ATOM 0 HA LEU A 39 -2.479 -3.246 3.641 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -3.916 -0.701 2.922 1.00 0.20 H new ATOM 0 HB3 LEU A 39 -2.165 -0.784 2.905 1.00 0.20 H new ATOM 0 HG LEU A 39 -2.153 -2.437 1.191 1.00 0.19 H new ATOM 0 HD11 LEU A 39 -4.187 -3.395 0.204 1.00 0.18 H new ATOM 0 HD12 LEU A 39 -4.003 -3.834 1.918 1.00 0.18 H new ATOM 0 HD13 LEU A 39 -5.168 -2.576 1.442 1.00 0.18 H new ATOM 0 HD21 LEU A 39 -3.359 -1.255 -0.633 1.00 0.22 H new ATOM 0 HD22 LEU A 39 -4.276 -0.337 0.586 1.00 0.22 H new ATOM 0 HD23 LEU A 39 -2.515 -0.119 0.446 1.00 0.22 H new ATOM 652 N VAL A 40 -1.744 -2.571 5.895 1.00 0.17 N ATOM 653 CA VAL A 40 -1.300 -2.231 7.226 1.00 0.20 C ATOM 654 C VAL A 40 0.148 -1.763 7.222 1.00 0.18 C ATOM 655 O VAL A 40 1.045 -2.514 6.853 1.00 0.23 O ATOM 656 CB VAL A 40 -1.423 -3.444 8.171 1.00 0.29 C ATOM 657 CG1 VAL A 40 -0.928 -3.107 9.566 1.00 0.84 C ATOM 658 CG2 VAL A 40 -2.854 -3.935 8.227 1.00 0.88 C ATOM 0 H VAL A 40 -1.355 -3.442 5.535 1.00 0.17 H new ATOM 0 HA VAL A 40 -1.939 -1.422 7.579 1.00 0.20 H new ATOM 0 HB VAL A 40 -0.795 -4.240 7.771 1.00 0.29 H new ATOM 0 HG11 VAL A 40 -1.028 -3.982 10.209 1.00 0.84 H new ATOM 0 HG12 VAL A 40 0.119 -2.809 9.518 1.00 0.84 H new ATOM 0 HG13 VAL A 40 -1.520 -2.288 9.974 1.00 0.84 H new ATOM 0 HG21 VAL A 40 -2.919 -4.791 8.899 1.00 0.88 H new ATOM 0 HG22 VAL A 40 -3.499 -3.136 8.594 1.00 0.88 H new ATOM 0 HG23 VAL A 40 -3.176 -4.232 7.229 1.00 0.88 H new ATOM 668 N HIS A 41 0.355 -0.513 7.603 1.00 0.16 N ATOM 669 CA HIS A 41 1.686 -0.003 7.915 1.00 0.17 C ATOM 670 C HIS A 41 2.522 0.235 6.664 1.00 0.14 C ATOM 671 O HIS A 41 3.153 -0.680 6.134 1.00 0.17 O ATOM 672 CB HIS A 41 2.420 -0.960 8.868 1.00 0.22 C ATOM 673 CG HIS A 41 3.615 -0.367 9.554 1.00 0.42 C ATOM 674 ND1 HIS A 41 4.824 0.013 9.077 1.00 0.98 N flip ATOM 675 CD2 HIS A 41 3.656 -0.144 10.910 1.00 0.56 C flip ATOM 676 CE1 HIS A 41 5.570 0.445 10.149 1.00 1.03 C flip ATOM 677 NE2 HIS A 41 4.835 0.340 11.241 1.00 0.67 N flip ATOM 0 H HIS A 41 -0.390 0.177 7.705 1.00 0.16 H new ATOM 0 HA HIS A 41 1.551 0.961 8.405 1.00 0.17 H new ATOM 0 HB2 HIS A 41 1.717 -1.306 9.626 1.00 0.22 H new ATOM 0 HB3 HIS A 41 2.739 -1.837 8.305 1.00 0.22 H new ATOM 0 HD2 HIS A 41 2.846 -0.336 11.598 1.00 0.56 H new ATOM 0 HE1 HIS A 41 6.586 0.809 10.105 1.00 1.03 H new ATOM 0 HE2 HIS A 41 5.131 0.592 12.184 1.00 0.67 H new ATOM 686 N THR A 42 2.520 1.472 6.208 1.00 0.16 N ATOM 687 CA THR A 42 3.430 1.900 5.164 1.00 0.16 C ATOM 688 C THR A 42 4.659 2.510 5.819 1.00 0.20 C ATOM 689 O THR A 42 4.543 3.406 6.659 1.00 0.31 O ATOM 690 CB THR A 42 2.782 2.934 4.207 1.00 0.20 C ATOM 691 OG1 THR A 42 3.750 3.430 3.279 1.00 0.22 O ATOM 692 CG2 THR A 42 2.179 4.093 4.986 1.00 0.31 C ATOM 0 H THR A 42 1.894 2.203 6.547 1.00 0.16 H new ATOM 0 HA THR A 42 3.697 1.031 4.563 1.00 0.16 H new ATOM 0 HB THR A 42 1.986 2.430 3.659 1.00 0.20 H new ATOM 0 HG1 THR A 42 3.457 3.235 2.365 1.00 0.22 H new ATOM 0 HG21 THR A 42 1.731 4.804 4.292 1.00 0.31 H new ATOM 0 HG22 THR A 42 1.413 3.716 5.664 1.00 0.31 H new ATOM 0 HG23 THR A 42 2.960 4.590 5.561 1.00 0.31 H new ATOM 700 N TYR A 43 5.831 2.006 5.491 1.00 0.22 N ATOM 701 CA TYR A 43 7.039 2.561 6.057 1.00 0.29 C ATOM 702 C TYR A 43 8.141 2.617 5.019 1.00 0.27 C ATOM 703 O TYR A 43 8.183 1.799 4.105 1.00 0.37 O ATOM 704 CB TYR A 43 7.491 1.766 7.279 1.00 0.45 C ATOM 705 CG TYR A 43 8.244 2.623 8.262 1.00 0.74 C ATOM 706 CD1 TYR A 43 7.585 3.627 8.954 1.00 1.15 C ATOM 707 CD2 TYR A 43 9.602 2.451 8.484 1.00 0.94 C ATOM 708 CE1 TYR A 43 8.255 4.442 9.840 1.00 1.53 C ATOM 709 CE2 TYR A 43 10.282 3.259 9.374 1.00 1.34 C ATOM 710 CZ TYR A 43 9.604 4.254 10.050 1.00 1.58 C ATOM 711 OH TYR A 43 10.281 5.069 10.928 1.00 2.02 O ATOM 0 H TYR A 43 5.971 1.227 4.847 1.00 0.22 H new ATOM 0 HA TYR A 43 6.819 3.578 6.381 1.00 0.29 H new ATOM 0 HB2 TYR A 43 6.621 1.330 7.770 1.00 0.45 H new ATOM 0 HB3 TYR A 43 8.125 0.939 6.959 1.00 0.45 H new ATOM 0 HD1 TYR A 43 6.527 3.773 8.796 1.00 1.15 H new ATOM 0 HD2 TYR A 43 10.135 1.675 7.954 1.00 0.94 H new ATOM 0 HE1 TYR A 43 7.727 5.223 10.366 1.00 1.53 H new ATOM 0 HE2 TYR A 43 11.339 3.113 9.540 1.00 1.34 H new ATOM 0 HH TYR A 43 11.223 4.802 10.961 1.00 2.02 H new ATOM 721 N VAL A 44 9.021 3.595 5.174 1.00 0.25 N ATOM 722 CA VAL A 44 10.091 3.837 4.225 1.00 0.28 C ATOM 723 C VAL A 44 11.205 4.644 4.896 1.00 0.34 C ATOM 724 O VAL A 44 10.925 5.545 5.688 1.00 0.36 O ATOM 725 CB VAL A 44 9.550 4.589 2.981 1.00 0.33 C ATOM 726 CG1 VAL A 44 8.936 5.923 3.378 1.00 0.71 C ATOM 727 CG2 VAL A 44 10.638 4.789 1.935 1.00 0.60 C ATOM 0 H VAL A 44 9.011 4.242 5.962 1.00 0.25 H new ATOM 0 HA VAL A 44 10.497 2.880 3.896 1.00 0.28 H new ATOM 0 HB VAL A 44 8.770 3.970 2.537 1.00 0.33 H new ATOM 0 HG11 VAL A 44 8.564 6.431 2.489 1.00 0.71 H new ATOM 0 HG12 VAL A 44 8.111 5.752 4.070 1.00 0.71 H new ATOM 0 HG13 VAL A 44 9.692 6.542 3.860 1.00 0.71 H new ATOM 0 HG21 VAL A 44 10.225 5.319 1.077 1.00 0.60 H new ATOM 0 HG22 VAL A 44 11.452 5.373 2.364 1.00 0.60 H new ATOM 0 HG23 VAL A 44 11.017 3.819 1.614 1.00 0.60 H new ATOM 737 N PRO A 45 12.481 4.299 4.641 1.00 0.41 N ATOM 738 CA PRO A 45 13.618 5.086 5.126 1.00 0.48 C ATOM 739 C PRO A 45 13.596 6.502 4.561 1.00 0.51 C ATOM 740 O PRO A 45 13.035 6.740 3.487 1.00 0.50 O ATOM 741 CB PRO A 45 14.845 4.324 4.613 1.00 0.61 C ATOM 742 CG PRO A 45 14.352 2.950 4.317 1.00 0.79 C ATOM 743 CD PRO A 45 12.919 3.108 3.896 1.00 0.48 C ATOM 0 HA PRO A 45 13.607 5.196 6.210 1.00 0.48 H new ATOM 0 HB2 PRO A 45 15.258 4.796 3.721 1.00 0.61 H new ATOM 0 HB3 PRO A 45 15.639 4.306 5.360 1.00 0.61 H new ATOM 0 HG2 PRO A 45 14.942 2.485 3.527 1.00 0.79 H new ATOM 0 HG3 PRO A 45 14.433 2.309 5.195 1.00 0.79 H new ATOM 0 HD2 PRO A 45 12.829 3.251 2.819 1.00 0.48 H new ATOM 0 HD3 PRO A 45 12.325 2.231 4.152 1.00 0.48 H new ATOM 751 N SER A 46 14.223 7.431 5.273 1.00 0.63 N ATOM 752 CA SER A 46 14.213 8.843 4.898 1.00 0.77 C ATOM 753 C SER A 46 14.765 9.058 3.489 1.00 0.80 C ATOM 754 O SER A 46 14.457 10.055 2.838 1.00 0.94 O ATOM 755 CB SER A 46 15.014 9.649 5.916 1.00 0.91 C ATOM 756 OG SER A 46 14.570 9.369 7.236 1.00 1.39 O ATOM 0 H SER A 46 14.751 7.230 6.123 1.00 0.63 H new ATOM 0 HA SER A 46 13.179 9.188 4.896 1.00 0.77 H new ATOM 0 HB2 SER A 46 16.074 9.410 5.825 1.00 0.91 H new ATOM 0 HB3 SER A 46 14.908 10.714 5.709 1.00 0.91 H new ATOM 0 HG SER A 46 15.096 9.893 7.876 1.00 1.39 H new ATOM 762 N PHE A 47 15.554 8.100 3.021 1.00 0.75 N ATOM 763 CA PHE A 47 16.132 8.149 1.687 1.00 0.80 C ATOM 764 C PHE A 47 15.055 8.210 0.604 1.00 0.73 C ATOM 765 O PHE A 47 15.256 8.816 -0.448 1.00 0.82 O ATOM 766 CB PHE A 47 17.016 6.924 1.457 1.00 0.83 C ATOM 767 CG PHE A 47 18.143 6.801 2.445 1.00 1.39 C ATOM 768 CD1 PHE A 47 19.267 7.605 2.337 1.00 1.61 C ATOM 769 CD2 PHE A 47 18.078 5.880 3.479 1.00 2.13 C ATOM 770 CE1 PHE A 47 20.304 7.495 3.243 1.00 2.39 C ATOM 771 CE2 PHE A 47 19.112 5.765 4.389 1.00 3.04 C ATOM 772 CZ PHE A 47 20.227 6.574 4.270 1.00 3.12 C ATOM 0 H PHE A 47 15.810 7.269 3.555 1.00 0.75 H new ATOM 0 HA PHE A 47 16.730 9.058 1.621 1.00 0.80 H new ATOM 0 HB2 PHE A 47 16.399 6.027 1.508 1.00 0.83 H new ATOM 0 HB3 PHE A 47 17.430 6.969 0.450 1.00 0.83 H new ATOM 0 HD1 PHE A 47 19.333 8.326 1.535 1.00 1.61 H new ATOM 0 HD2 PHE A 47 17.210 5.245 3.575 1.00 2.13 H new ATOM 0 HE1 PHE A 47 21.174 8.128 3.149 1.00 2.39 H new ATOM 0 HE2 PHE A 47 19.049 5.045 5.191 1.00 3.04 H new ATOM 0 HZ PHE A 47 21.037 6.486 4.979 1.00 3.12 H new ATOM 782 N LYS A 48 13.908 7.589 0.862 1.00 0.61 N ATOM 783 CA LYS A 48 12.862 7.485 -0.149 1.00 0.60 C ATOM 784 C LYS A 48 11.482 7.829 0.417 1.00 0.64 C ATOM 785 O LYS A 48 10.462 7.495 -0.189 1.00 0.78 O ATOM 786 CB LYS A 48 12.856 6.073 -0.752 1.00 0.55 C ATOM 787 CG LYS A 48 14.066 5.778 -1.630 1.00 0.76 C ATOM 788 CD LYS A 48 14.058 4.346 -2.142 1.00 0.81 C ATOM 789 CE LYS A 48 14.443 3.357 -1.053 1.00 0.97 C ATOM 790 NZ LYS A 48 15.757 2.710 -1.328 1.00 1.19 N ATOM 0 H LYS A 48 13.680 7.153 1.756 1.00 0.61 H new ATOM 0 HA LYS A 48 13.082 8.212 -0.931 1.00 0.60 H new ATOM 0 HB2 LYS A 48 12.817 5.342 0.056 1.00 0.55 H new ATOM 0 HB3 LYS A 48 11.949 5.943 -1.343 1.00 0.55 H new ATOM 0 HG2 LYS A 48 14.078 6.466 -2.475 1.00 0.76 H new ATOM 0 HG3 LYS A 48 14.979 5.956 -1.062 1.00 0.76 H new ATOM 0 HD2 LYS A 48 13.066 4.101 -2.522 1.00 0.81 H new ATOM 0 HD3 LYS A 48 14.751 4.255 -2.978 1.00 0.81 H new ATOM 0 HE2 LYS A 48 14.486 3.872 -0.094 1.00 0.97 H new ATOM 0 HE3 LYS A 48 13.672 2.591 -0.969 1.00 0.97 H new ATOM 0 HZ1 LYS A 48 16.151 2.334 -0.442 1.00 1.19 H new ATOM 0 HZ2 LYS A 48 15.626 1.932 -2.006 1.00 1.19 H new ATOM 0 HZ3 LYS A 48 16.412 3.411 -1.729 1.00 1.19 H new ATOM 804 N ARG A 49 11.451 8.515 1.559 1.00 0.73 N ATOM 805 CA ARG A 49 10.184 8.903 2.187 1.00 0.84 C ATOM 806 C ARG A 49 9.358 9.790 1.265 1.00 0.91 C ATOM 807 O ARG A 49 8.282 9.399 0.812 1.00 1.75 O ATOM 808 CB ARG A 49 10.425 9.625 3.520 1.00 1.03 C ATOM 809 CG ARG A 49 10.781 8.693 4.666 1.00 1.35 C ATOM 810 CD ARG A 49 11.040 9.454 5.958 1.00 1.45 C ATOM 811 NE ARG A 49 9.907 10.288 6.356 1.00 1.92 N ATOM 812 CZ ARG A 49 9.469 10.406 7.609 1.00 2.48 C ATOM 813 NH1 ARG A 49 10.060 9.736 8.594 1.00 2.70 N ATOM 814 NH2 ARG A 49 8.447 11.210 7.879 1.00 3.23 N ATOM 0 H ARG A 49 12.283 8.813 2.068 1.00 0.73 H new ATOM 0 HA ARG A 49 9.627 7.986 2.379 1.00 0.84 H new ATOM 0 HB2 ARG A 49 11.229 10.350 3.390 1.00 1.03 H new ATOM 0 HB3 ARG A 49 9.529 10.187 3.785 1.00 1.03 H new ATOM 0 HG2 ARG A 49 9.970 7.981 4.820 1.00 1.35 H new ATOM 0 HG3 ARG A 49 11.666 8.115 4.402 1.00 1.35 H new ATOM 0 HD2 ARG A 49 11.262 8.744 6.755 1.00 1.45 H new ATOM 0 HD3 ARG A 49 11.923 10.081 5.835 1.00 1.45 H new ATOM 0 HE ARG A 49 9.421 10.813 5.629 1.00 1.92 H new ATOM 0 HH11 ARG A 49 10.853 9.127 8.393 1.00 2.70 H new ATOM 0 HH12 ARG A 49 9.720 9.831 9.551 1.00 2.70 H new ATOM 0 HH21 ARG A 49 7.999 11.735 7.128 1.00 3.23 H new ATOM 0 HH22 ARG A 49 8.110 11.302 8.837 1.00 3.23 H new ATOM 828 N GLY A 50 9.882 10.967 0.960 1.00 1.00 N ATOM 829 CA GLY A 50 9.159 11.907 0.128 1.00 1.07 C ATOM 830 C GLY A 50 9.308 11.602 -1.350 1.00 0.98 C ATOM 831 O GLY A 50 8.960 12.422 -2.200 1.00 1.12 O ATOM 0 H GLY A 50 10.797 11.289 1.274 1.00 1.00 H new ATOM 0 HA2 GLY A 50 8.103 11.888 0.396 1.00 1.07 H new ATOM 0 HA3 GLY A 50 9.520 12.916 0.326 1.00 1.07 H new ATOM 835 N LEU A 51 9.815 10.415 -1.662 1.00 0.81 N ATOM 836 CA LEU A 51 10.035 10.028 -3.046 1.00 0.81 C ATOM 837 C LEU A 51 8.766 9.437 -3.640 1.00 0.71 C ATOM 838 O LEU A 51 8.579 9.441 -4.857 1.00 0.88 O ATOM 839 CB LEU A 51 11.170 9.010 -3.148 1.00 0.82 C ATOM 840 CG LEU A 51 11.628 8.687 -4.573 1.00 1.11 C ATOM 841 CD1 LEU A 51 12.194 9.929 -5.250 1.00 1.46 C ATOM 842 CD2 LEU A 51 12.658 7.569 -4.562 1.00 1.95 C ATOM 0 H LEU A 51 10.080 9.708 -0.976 1.00 0.81 H new ATOM 0 HA LEU A 51 10.310 10.921 -3.606 1.00 0.81 H new ATOM 0 HB2 LEU A 51 12.025 9.385 -2.585 1.00 0.82 H new ATOM 0 HB3 LEU A 51 10.852 8.085 -2.667 1.00 0.82 H new ATOM 0 HG LEU A 51 10.762 8.351 -5.143 1.00 1.11 H new ATOM 0 HD11 LEU A 51 12.514 9.678 -6.261 1.00 1.46 H new ATOM 0 HD12 LEU A 51 11.426 10.702 -5.293 1.00 1.46 H new ATOM 0 HD13 LEU A 51 13.047 10.297 -4.680 1.00 1.46 H new ATOM 0 HD21 LEU A 51 12.972 7.353 -5.583 1.00 1.95 H new ATOM 0 HD22 LEU A 51 13.523 7.877 -3.974 1.00 1.95 H new ATOM 0 HD23 LEU A 51 12.219 6.674 -4.121 1.00 1.95 H new ATOM 854 N GLY A 52 7.891 8.930 -2.778 1.00 0.52 N ATOM 855 CA GLY A 52 6.687 8.295 -3.270 1.00 0.43 C ATOM 856 C GLY A 52 6.593 6.839 -2.868 1.00 0.32 C ATOM 857 O GLY A 52 5.499 6.277 -2.793 1.00 0.28 O ATOM 0 H GLY A 52 7.993 8.947 -1.763 1.00 0.52 H new ATOM 0 HA2 GLY A 52 5.817 8.830 -2.890 1.00 0.43 H new ATOM 0 HA3 GLY A 52 6.658 8.371 -4.357 1.00 0.43 H new ATOM 861 N LEU A 53 7.750 6.234 -2.617 1.00 0.31 N ATOM 862 CA LEU A 53 7.871 4.790 -2.431 1.00 0.27 C ATOM 863 C LEU A 53 6.889 4.262 -1.379 1.00 0.20 C ATOM 864 O LEU A 53 6.272 3.217 -1.582 1.00 0.20 O ATOM 865 CB LEU A 53 9.323 4.449 -2.054 1.00 0.29 C ATOM 866 CG LEU A 53 9.708 2.963 -2.088 1.00 0.33 C ATOM 867 CD1 LEU A 53 9.263 2.249 -0.822 1.00 0.55 C ATOM 868 CD2 LEU A 53 9.111 2.290 -3.316 1.00 0.67 C ATOM 0 H LEU A 53 8.636 6.734 -2.536 1.00 0.31 H new ATOM 0 HA LEU A 53 7.614 4.297 -3.369 1.00 0.27 H new ATOM 0 HB2 LEU A 53 9.987 4.989 -2.729 1.00 0.29 H new ATOM 0 HB3 LEU A 53 9.513 4.828 -1.050 1.00 0.29 H new ATOM 0 HG LEU A 53 10.795 2.898 -2.144 1.00 0.33 H new ATOM 0 HD11 LEU A 53 9.550 1.199 -0.877 1.00 0.55 H new ATOM 0 HD12 LEU A 53 9.739 2.711 0.043 1.00 0.55 H new ATOM 0 HD13 LEU A 53 8.180 2.324 -0.723 1.00 0.55 H new ATOM 0 HD21 LEU A 53 9.392 1.237 -3.327 1.00 0.67 H new ATOM 0 HD22 LEU A 53 8.025 2.375 -3.286 1.00 0.67 H new ATOM 0 HD23 LEU A 53 9.488 2.775 -4.216 1.00 0.67 H new ATOM 880 N ALA A 54 6.725 4.991 -0.280 1.00 0.19 N ATOM 881 CA ALA A 54 5.794 4.586 0.775 1.00 0.17 C ATOM 882 C ALA A 54 4.392 4.359 0.211 1.00 0.15 C ATOM 883 O ALA A 54 3.755 3.332 0.461 1.00 0.15 O ATOM 884 CB ALA A 54 5.758 5.636 1.873 1.00 0.24 C ATOM 0 H ALA A 54 7.221 5.863 -0.094 1.00 0.19 H new ATOM 0 HA ALA A 54 6.145 3.644 1.197 1.00 0.17 H new ATOM 0 HB1 ALA A 54 5.062 5.324 2.652 1.00 0.24 H new ATOM 0 HB2 ALA A 54 6.754 5.750 2.300 1.00 0.24 H new ATOM 0 HB3 ALA A 54 5.432 6.588 1.455 1.00 0.24 H new ATOM 890 N SER A 55 3.926 5.326 -0.558 1.00 0.17 N ATOM 891 CA SER A 55 2.637 5.242 -1.220 1.00 0.21 C ATOM 892 C SER A 55 2.651 4.186 -2.329 1.00 0.21 C ATOM 893 O SER A 55 1.635 3.548 -2.590 1.00 0.25 O ATOM 894 CB SER A 55 2.269 6.609 -1.795 1.00 0.28 C ATOM 895 OG SER A 55 2.390 7.621 -0.808 1.00 1.08 O ATOM 0 H SER A 55 4.431 6.193 -0.741 1.00 0.17 H new ATOM 0 HA SER A 55 1.889 4.942 -0.486 1.00 0.21 H new ATOM 0 HB2 SER A 55 2.918 6.840 -2.640 1.00 0.28 H new ATOM 0 HB3 SER A 55 1.248 6.586 -2.175 1.00 0.28 H new ATOM 0 HG SER A 55 2.152 8.488 -1.198 1.00 1.08 H new ATOM 901 N HIS A 56 3.805 3.996 -2.973 1.00 0.21 N ATOM 902 CA HIS A 56 3.941 2.968 -4.011 1.00 0.23 C ATOM 903 C HIS A 56 3.703 1.584 -3.422 1.00 0.20 C ATOM 904 O HIS A 56 3.203 0.687 -4.101 1.00 0.23 O ATOM 905 CB HIS A 56 5.324 3.009 -4.675 1.00 0.29 C ATOM 906 CG HIS A 56 5.470 4.063 -5.732 1.00 0.45 C ATOM 907 ND1 HIS A 56 5.249 5.398 -5.697 1.00 0.79 N flip ATOM 908 CD2 HIS A 56 5.899 3.786 -7.013 1.00 0.70 C flip ATOM 909 CE1 HIS A 56 5.546 5.894 -6.940 1.00 0.99 C flip ATOM 910 NE2 HIS A 56 5.936 4.903 -7.714 1.00 0.93 N flip ATOM 0 H HIS A 56 4.653 4.535 -2.797 1.00 0.21 H new ATOM 0 HA HIS A 56 3.190 3.177 -4.773 1.00 0.23 H new ATOM 0 HB2 HIS A 56 6.079 3.175 -3.906 1.00 0.29 H new ATOM 0 HB3 HIS A 56 5.530 2.035 -5.119 1.00 0.29 H new ATOM 0 HD1 HIS A 56 4.922 5.936 -4.894 1.00 0.79 H new ATOM 0 HD2 HIS A 56 6.164 2.807 -7.385 1.00 0.70 H new ATOM 0 HE1 HIS A 56 5.472 6.930 -7.236 1.00 0.99 H new ATOM 919 N LEU A 57 4.066 1.422 -2.154 1.00 0.15 N ATOM 920 CA LEU A 57 3.814 0.181 -1.435 1.00 0.13 C ATOM 921 C LEU A 57 2.313 -0.035 -1.292 1.00 0.13 C ATOM 922 O LEU A 57 1.807 -1.140 -1.491 1.00 0.15 O ATOM 923 CB LEU A 57 4.483 0.222 -0.058 1.00 0.14 C ATOM 924 CG LEU A 57 5.996 0.432 -0.079 1.00 0.17 C ATOM 925 CD1 LEU A 57 6.507 0.735 1.317 1.00 0.19 C ATOM 926 CD2 LEU A 57 6.698 -0.793 -0.644 1.00 0.22 C ATOM 0 H LEU A 57 4.538 2.139 -1.602 1.00 0.15 H new ATOM 0 HA LEU A 57 4.238 -0.651 -1.998 1.00 0.13 H new ATOM 0 HB2 LEU A 57 4.029 1.023 0.526 1.00 0.14 H new ATOM 0 HB3 LEU A 57 4.269 -0.712 0.461 1.00 0.14 H new ATOM 0 HG LEU A 57 6.216 1.283 -0.723 1.00 0.17 H new ATOM 0 HD11 LEU A 57 7.587 0.882 1.285 1.00 0.19 H new ATOM 0 HD12 LEU A 57 6.028 1.640 1.691 1.00 0.19 H new ATOM 0 HD13 LEU A 57 6.274 -0.099 1.979 1.00 0.19 H new ATOM 0 HD21 LEU A 57 7.775 -0.624 -0.651 1.00 0.22 H new ATOM 0 HD22 LEU A 57 6.471 -1.661 -0.025 1.00 0.22 H new ATOM 0 HD23 LEU A 57 6.352 -0.973 -1.662 1.00 0.22 H new ATOM 938 N CYS A 58 1.602 1.037 -0.958 1.00 0.16 N ATOM 939 CA CYS A 58 0.145 0.993 -0.870 1.00 0.19 C ATOM 940 C CYS A 58 -0.460 0.673 -2.234 1.00 0.19 C ATOM 941 O CYS A 58 -1.403 -0.113 -2.340 1.00 0.20 O ATOM 942 CB CYS A 58 -0.399 2.326 -0.344 1.00 0.23 C ATOM 943 SG CYS A 58 -2.192 2.370 -0.105 1.00 0.27 S ATOM 0 H CYS A 58 2.010 1.947 -0.744 1.00 0.16 H new ATOM 0 HA CYS A 58 -0.137 0.205 -0.172 1.00 0.19 H new ATOM 0 HB2 CYS A 58 0.086 2.551 0.606 1.00 0.23 H new ATOM 0 HB3 CYS A 58 -0.119 3.117 -1.040 1.00 0.23 H new ATOM 0 HG CYS A 58 -2.787 2.120 -1.234 1.00 0.27 H new ATOM 949 N VAL A 59 0.101 1.278 -3.274 1.00 0.19 N ATOM 950 CA VAL A 59 -0.335 1.033 -4.641 1.00 0.22 C ATOM 951 C VAL A 59 -0.121 -0.430 -5.024 1.00 0.20 C ATOM 952 O VAL A 59 -0.934 -1.016 -5.729 1.00 0.22 O ATOM 953 CB VAL A 59 0.410 1.950 -5.636 1.00 0.25 C ATOM 954 CG1 VAL A 59 0.062 1.607 -7.077 1.00 0.29 C ATOM 955 CG2 VAL A 59 0.090 3.407 -5.351 1.00 0.29 C ATOM 0 H VAL A 59 0.866 1.948 -3.194 1.00 0.19 H new ATOM 0 HA VAL A 59 -1.400 1.259 -4.692 1.00 0.22 H new ATOM 0 HB VAL A 59 1.479 1.787 -5.502 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.604 2.271 -7.750 1.00 0.29 H new ATOM 0 HG12 VAL A 59 0.343 0.574 -7.283 1.00 0.29 H new ATOM 0 HG13 VAL A 59 -1.010 1.729 -7.231 1.00 0.29 H new ATOM 0 HG21 VAL A 59 0.622 4.042 -6.060 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -0.983 3.570 -5.452 1.00 0.29 H new ATOM 0 HG23 VAL A 59 0.401 3.656 -4.336 1.00 0.29 H new ATOM 965 N ALA A 60 0.967 -1.019 -4.534 1.00 0.18 N ATOM 966 CA ALA A 60 1.277 -2.418 -4.811 1.00 0.21 C ATOM 967 C ALA A 60 0.161 -3.336 -4.330 1.00 0.17 C ATOM 968 O ALA A 60 -0.156 -4.333 -4.981 1.00 0.17 O ATOM 969 CB ALA A 60 2.602 -2.806 -4.175 1.00 0.28 C ATOM 0 H ALA A 60 1.650 -0.547 -3.942 1.00 0.18 H new ATOM 0 HA ALA A 60 1.363 -2.536 -5.891 1.00 0.21 H new ATOM 0 HB1 ALA A 60 2.817 -3.852 -4.392 1.00 0.28 H new ATOM 0 HB2 ALA A 60 3.397 -2.180 -4.581 1.00 0.28 H new ATOM 0 HB3 ALA A 60 2.543 -2.664 -3.096 1.00 0.28 H new ATOM 975 N ALA A 61 -0.443 -2.999 -3.196 1.00 0.16 N ATOM 976 CA ALA A 61 -1.556 -3.779 -2.689 1.00 0.16 C ATOM 977 C ALA A 61 -2.810 -3.507 -3.514 1.00 0.14 C ATOM 978 O ALA A 61 -3.584 -4.423 -3.796 1.00 0.15 O ATOM 979 CB ALA A 61 -1.787 -3.483 -1.220 1.00 0.20 C ATOM 0 H ALA A 61 -0.182 -2.200 -2.619 1.00 0.16 H new ATOM 0 HA ALA A 61 -1.315 -4.838 -2.780 1.00 0.16 H new ATOM 0 HB1 ALA A 61 -2.626 -4.077 -0.857 1.00 0.20 H new ATOM 0 HB2 ALA A 61 -0.891 -3.735 -0.653 1.00 0.20 H new ATOM 0 HB3 ALA A 61 -2.011 -2.424 -1.093 1.00 0.20 H new ATOM 985 N PHE A 62 -2.990 -2.248 -3.920 1.00 0.14 N ATOM 986 CA PHE A 62 -4.090 -1.889 -4.811 1.00 0.15 C ATOM 987 C PHE A 62 -4.005 -2.683 -6.108 1.00 0.15 C ATOM 988 O PHE A 62 -4.968 -3.332 -6.506 1.00 0.16 O ATOM 989 CB PHE A 62 -4.088 -0.394 -5.151 1.00 0.17 C ATOM 990 CG PHE A 62 -4.542 0.526 -4.046 1.00 0.19 C ATOM 991 CD1 PHE A 62 -5.686 0.239 -3.313 1.00 0.21 C ATOM 992 CD2 PHE A 62 -3.814 1.659 -3.724 1.00 0.20 C ATOM 993 CE1 PHE A 62 -6.095 1.068 -2.281 1.00 0.23 C ATOM 994 CE2 PHE A 62 -4.219 2.493 -2.697 1.00 0.23 C ATOM 995 CZ PHE A 62 -5.403 2.251 -2.038 1.00 0.24 C ATOM 0 H PHE A 62 -2.392 -1.468 -3.647 1.00 0.14 H new ATOM 0 HA PHE A 62 -5.014 -2.126 -4.283 1.00 0.15 H new ATOM 0 HB2 PHE A 62 -3.078 -0.108 -5.446 1.00 0.17 H new ATOM 0 HB3 PHE A 62 -4.730 -0.236 -6.018 1.00 0.17 H new ATOM 0 HD1 PHE A 62 -6.264 -0.642 -3.550 1.00 0.21 H new ATOM 0 HD2 PHE A 62 -2.919 1.895 -4.281 1.00 0.20 H new ATOM 0 HE1 PHE A 62 -6.944 0.799 -1.670 1.00 0.23 H new ATOM 0 HE2 PHE A 62 -3.605 3.335 -2.412 1.00 0.23 H new ATOM 0 HZ PHE A 62 -5.793 2.974 -1.337 1.00 0.24 H new ATOM 1005 N GLU A 63 -2.836 -2.632 -6.745 1.00 0.16 N ATOM 1006 CA GLU A 63 -2.588 -3.348 -7.995 1.00 0.19 C ATOM 1007 C GLU A 63 -2.939 -4.820 -7.855 1.00 0.19 C ATOM 1008 O GLU A 63 -3.488 -5.433 -8.772 1.00 0.24 O ATOM 1009 CB GLU A 63 -1.111 -3.228 -8.395 1.00 0.22 C ATOM 1010 CG GLU A 63 -0.661 -1.814 -8.718 1.00 0.29 C ATOM 1011 CD GLU A 63 -1.178 -1.329 -10.053 1.00 1.16 C ATOM 1012 OE1 GLU A 63 -2.378 -0.989 -10.143 1.00 1.98 O ATOM 1013 OE2 GLU A 63 -0.397 -1.291 -11.022 1.00 1.58 O ATOM 0 H GLU A 63 -2.036 -2.095 -6.410 1.00 0.16 H new ATOM 0 HA GLU A 63 -3.217 -2.899 -8.764 1.00 0.19 H new ATOM 0 HB2 GLU A 63 -0.495 -3.616 -7.584 1.00 0.22 H new ATOM 0 HB3 GLU A 63 -0.930 -3.861 -9.264 1.00 0.22 H new ATOM 0 HG2 GLU A 63 -1.004 -1.140 -7.933 1.00 0.29 H new ATOM 0 HG3 GLU A 63 0.428 -1.775 -8.719 1.00 0.29 H new ATOM 1020 N HIS A 64 -2.635 -5.368 -6.691 1.00 0.17 N ATOM 1021 CA HIS A 64 -2.801 -6.787 -6.438 1.00 0.19 C ATOM 1022 C HIS A 64 -4.277 -7.133 -6.242 1.00 0.19 C ATOM 1023 O HIS A 64 -4.820 -8.008 -6.923 1.00 0.24 O ATOM 1024 CB HIS A 64 -1.990 -7.174 -5.197 1.00 0.20 C ATOM 1025 CG HIS A 64 -1.625 -8.628 -5.124 1.00 0.58 C ATOM 1026 ND1 HIS A 64 -0.348 -9.091 -5.364 1.00 1.50 N ATOM 1027 CD2 HIS A 64 -2.365 -9.720 -4.821 1.00 1.13 C ATOM 1028 CE1 HIS A 64 -0.319 -10.400 -5.209 1.00 1.68 C ATOM 1029 NE2 HIS A 64 -1.529 -10.811 -4.881 1.00 1.33 N ATOM 0 H HIS A 64 -2.267 -4.843 -5.898 1.00 0.17 H new ATOM 0 HA HIS A 64 -2.438 -7.349 -7.299 1.00 0.19 H new ATOM 0 HB2 HIS A 64 -1.076 -6.581 -5.176 1.00 0.20 H new ATOM 0 HB3 HIS A 64 -2.562 -6.910 -4.307 1.00 0.20 H new ATOM 0 HD2 HIS A 64 -3.417 -9.733 -4.577 1.00 1.13 H new ATOM 0 HE1 HIS A 64 0.550 -11.030 -5.330 1.00 1.68 H new ATOM 0 HE2 HIS A 64 -1.800 -11.778 -4.702 1.00 1.33 H new ATOM 1038 N ALA A 65 -4.930 -6.427 -5.326 1.00 0.15 N ATOM 1039 CA ALA A 65 -6.317 -6.713 -4.996 1.00 0.16 C ATOM 1040 C ALA A 65 -7.249 -6.313 -6.131 1.00 0.15 C ATOM 1041 O ALA A 65 -8.132 -7.081 -6.504 1.00 0.17 O ATOM 1042 CB ALA A 65 -6.715 -6.016 -3.710 1.00 0.20 C ATOM 0 H ALA A 65 -4.520 -5.654 -4.801 1.00 0.15 H new ATOM 0 HA ALA A 65 -6.409 -7.789 -4.850 1.00 0.16 H new ATOM 0 HB1 ALA A 65 -7.756 -6.243 -3.481 1.00 0.20 H new ATOM 0 HB2 ALA A 65 -6.080 -6.364 -2.896 1.00 0.20 H new ATOM 0 HB3 ALA A 65 -6.596 -4.939 -3.828 1.00 0.20 H new ATOM 1048 N SER A 66 -7.049 -5.117 -6.679 1.00 0.16 N ATOM 1049 CA SER A 66 -7.872 -4.632 -7.786 1.00 0.20 C ATOM 1050 C SER A 66 -7.910 -5.639 -8.940 1.00 0.24 C ATOM 1051 O SER A 66 -8.981 -5.964 -9.452 1.00 0.31 O ATOM 1052 CB SER A 66 -7.356 -3.277 -8.283 1.00 0.24 C ATOM 1053 OG SER A 66 -8.246 -2.696 -9.221 1.00 1.21 O ATOM 0 H SER A 66 -6.325 -4.466 -6.376 1.00 0.16 H new ATOM 0 HA SER A 66 -8.889 -4.510 -7.413 1.00 0.20 H new ATOM 0 HB2 SER A 66 -7.226 -2.603 -7.436 1.00 0.24 H new ATOM 0 HB3 SER A 66 -6.375 -3.405 -8.741 1.00 0.24 H new ATOM 0 HG SER A 66 -7.890 -1.833 -9.518 1.00 1.21 H new ATOM 1059 N SER A 67 -6.750 -6.170 -9.319 1.00 0.25 N ATOM 1060 CA SER A 67 -6.672 -7.085 -10.454 1.00 0.33 C ATOM 1061 C SER A 67 -7.252 -8.457 -10.109 1.00 0.34 C ATOM 1062 O SER A 67 -7.518 -9.271 -10.994 1.00 0.44 O ATOM 1063 CB SER A 67 -5.225 -7.227 -10.928 1.00 0.39 C ATOM 1064 OG SER A 67 -4.376 -7.633 -9.868 1.00 1.20 O ATOM 0 H SER A 67 -5.858 -5.984 -8.861 1.00 0.25 H new ATOM 0 HA SER A 67 -7.270 -6.662 -11.261 1.00 0.33 H new ATOM 0 HB2 SER A 67 -5.174 -7.955 -11.737 1.00 0.39 H new ATOM 0 HB3 SER A 67 -4.877 -6.276 -11.332 1.00 0.39 H new ATOM 0 HG SER A 67 -3.754 -6.907 -9.651 1.00 1.20 H new ATOM 1070 N HIS A 68 -7.429 -8.722 -8.821 1.00 0.29 N ATOM 1071 CA HIS A 68 -8.039 -9.973 -8.393 1.00 0.35 C ATOM 1072 C HIS A 68 -9.460 -9.725 -7.882 1.00 0.37 C ATOM 1073 O HIS A 68 -10.083 -10.613 -7.295 1.00 0.44 O ATOM 1074 CB HIS A 68 -7.178 -10.635 -7.314 1.00 0.37 C ATOM 1075 CG HIS A 68 -7.329 -12.126 -7.257 1.00 0.48 C ATOM 1076 ND1 HIS A 68 -7.852 -12.934 -6.305 1.00 1.25 N flip ATOM 1077 CD2 HIS A 68 -6.906 -12.957 -8.269 1.00 1.16 C flip ATOM 1078 CE1 HIS A 68 -7.733 -14.226 -6.755 1.00 1.03 C flip ATOM 1079 NE2 HIS A 68 -7.160 -14.209 -7.943 1.00 0.82 N flip ATOM 0 H HIS A 68 -7.162 -8.095 -8.062 1.00 0.29 H new ATOM 0 HA HIS A 68 -8.099 -10.648 -9.247 1.00 0.35 H new ATOM 0 HB2 HIS A 68 -6.131 -10.391 -7.496 1.00 0.37 H new ATOM 0 HB3 HIS A 68 -7.440 -10.214 -6.343 1.00 0.37 H new ATOM 0 HD2 HIS A 68 -6.439 -12.634 -9.187 1.00 1.16 H new ATOM 0 HE1 HIS A 68 -8.055 -15.110 -6.224 1.00 1.03 H new ATOM 0 HE2 HIS A 68 -6.949 -15.027 -8.514 1.00 0.82 H new ATOM 1088 N SER A 69 -9.956 -8.506 -8.116 1.00 0.33 N ATOM 1089 CA SER A 69 -11.320 -8.115 -7.750 1.00 0.37 C ATOM 1090 C SER A 69 -11.554 -8.218 -6.239 1.00 0.34 C ATOM 1091 O SER A 69 -12.616 -8.658 -5.790 1.00 0.54 O ATOM 1092 CB SER A 69 -12.328 -8.977 -8.512 1.00 0.47 C ATOM 1093 OG SER A 69 -12.202 -8.791 -9.914 1.00 1.12 O ATOM 0 H SER A 69 -9.422 -7.762 -8.565 1.00 0.33 H new ATOM 0 HA SER A 69 -11.459 -7.070 -8.027 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.173 -10.027 -8.266 1.00 0.47 H new ATOM 0 HB3 SER A 69 -13.340 -8.722 -8.198 1.00 0.47 H new ATOM 0 HG SER A 69 -12.856 -9.354 -10.379 1.00 1.12 H new ATOM 1099 N ILE A 70 -10.567 -7.794 -5.465 1.00 0.22 N ATOM 1100 CA ILE A 70 -10.647 -7.849 -4.011 1.00 0.21 C ATOM 1101 C ILE A 70 -10.882 -6.444 -3.439 1.00 0.19 C ATOM 1102 O ILE A 70 -10.532 -5.448 -4.073 1.00 0.20 O ATOM 1103 CB ILE A 70 -9.350 -8.461 -3.414 1.00 0.23 C ATOM 1104 CG1 ILE A 70 -9.055 -9.813 -4.074 1.00 0.30 C ATOM 1105 CG2 ILE A 70 -9.463 -8.631 -1.902 1.00 0.27 C ATOM 1106 CD1 ILE A 70 -7.771 -10.456 -3.597 1.00 0.36 C ATOM 0 H ILE A 70 -9.694 -7.405 -5.822 1.00 0.22 H new ATOM 0 HA ILE A 70 -11.487 -8.487 -3.736 1.00 0.21 H new ATOM 0 HB ILE A 70 -8.528 -7.774 -3.616 1.00 0.23 H new ATOM 0 HG12 ILE A 70 -9.885 -10.492 -3.878 1.00 0.30 H new ATOM 0 HG13 ILE A 70 -9.003 -9.676 -5.154 1.00 0.30 H new ATOM 0 HG21 ILE A 70 -8.540 -9.061 -1.514 1.00 0.27 H new ATOM 0 HG22 ILE A 70 -9.633 -7.659 -1.438 1.00 0.27 H new ATOM 0 HG23 ILE A 70 -10.297 -9.294 -1.672 1.00 0.27 H new ATOM 0 HD11 ILE A 70 -7.629 -11.408 -4.108 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -6.931 -9.798 -3.817 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -7.827 -10.626 -2.522 1.00 0.36 H new ATOM 1118 N SER A 71 -11.481 -6.370 -2.253 1.00 0.19 N ATOM 1119 CA SER A 71 -11.739 -5.095 -1.596 1.00 0.19 C ATOM 1120 C SER A 71 -10.555 -4.762 -0.688 1.00 0.17 C ATOM 1121 O SER A 71 -9.753 -5.640 -0.377 1.00 0.19 O ATOM 1122 CB SER A 71 -13.046 -5.176 -0.792 1.00 0.23 C ATOM 1123 OG SER A 71 -13.431 -3.911 -0.279 1.00 1.01 O ATOM 0 H SER A 71 -11.798 -7.184 -1.726 1.00 0.19 H new ATOM 0 HA SER A 71 -11.851 -4.305 -2.338 1.00 0.19 H new ATOM 0 HB2 SER A 71 -13.840 -5.567 -1.428 1.00 0.23 H new ATOM 0 HB3 SER A 71 -12.923 -5.879 0.031 1.00 0.23 H new ATOM 0 HG SER A 71 -13.002 -3.202 -0.801 1.00 1.01 H new ATOM 1129 N ILE A 72 -10.428 -3.505 -0.278 1.00 0.15 N ATOM 1130 CA ILE A 72 -9.260 -3.066 0.478 1.00 0.14 C ATOM 1131 C ILE A 72 -9.642 -2.059 1.571 1.00 0.14 C ATOM 1132 O ILE A 72 -10.626 -1.329 1.451 1.00 0.16 O ATOM 1133 CB ILE A 72 -8.202 -2.422 -0.473 1.00 0.14 C ATOM 1134 CG1 ILE A 72 -7.620 -3.455 -1.443 1.00 0.16 C ATOM 1135 CG2 ILE A 72 -7.078 -1.748 0.300 1.00 0.14 C ATOM 1136 CD1 ILE A 72 -6.433 -2.936 -2.231 1.00 0.20 C ATOM 0 H ILE A 72 -11.117 -2.774 -0.455 1.00 0.15 H new ATOM 0 HA ILE A 72 -8.833 -3.948 0.955 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.726 -1.658 -1.047 1.00 0.14 H new ATOM 0 HG12 ILE A 72 -7.316 -4.339 -0.882 1.00 0.16 H new ATOM 0 HG13 ILE A 72 -8.399 -3.770 -2.138 1.00 0.16 H new ATOM 0 HG21 ILE A 72 -6.365 -1.313 -0.400 1.00 0.14 H new ATOM 0 HG22 ILE A 72 -7.491 -0.962 0.932 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -6.572 -2.485 0.923 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -6.070 -3.717 -2.898 1.00 0.20 H new ATOM 0 HD12 ILE A 72 -6.737 -2.070 -2.818 1.00 0.20 H new ATOM 0 HD13 ILE A 72 -5.638 -2.647 -1.543 1.00 0.20 H new ATOM 1148 N ILE A 73 -8.854 -2.051 2.640 1.00 0.13 N ATOM 1149 CA ILE A 73 -8.940 -1.056 3.703 1.00 0.13 C ATOM 1150 C ILE A 73 -7.527 -0.675 4.123 1.00 0.13 C ATOM 1151 O ILE A 73 -6.802 -1.490 4.675 1.00 0.13 O ATOM 1152 CB ILE A 73 -9.711 -1.589 4.935 1.00 0.14 C ATOM 1153 CG1 ILE A 73 -11.206 -1.698 4.624 1.00 0.19 C ATOM 1154 CG2 ILE A 73 -9.463 -0.708 6.158 1.00 0.15 C ATOM 1155 CD1 ILE A 73 -11.872 -0.368 4.327 1.00 0.24 C ATOM 0 H ILE A 73 -8.125 -2.747 2.795 1.00 0.13 H new ATOM 0 HA ILE A 73 -9.484 -0.192 3.321 1.00 0.13 H new ATOM 0 HB ILE A 73 -9.340 -2.587 5.168 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -11.342 -2.360 3.769 1.00 0.19 H new ATOM 0 HG13 ILE A 73 -11.710 -2.164 5.471 1.00 0.19 H new ATOM 0 HG21 ILE A 73 -10.016 -1.104 7.010 1.00 0.15 H new ATOM 0 HG22 ILE A 73 -8.398 -0.698 6.389 1.00 0.15 H new ATOM 0 HG23 ILE A 73 -9.798 0.308 5.949 1.00 0.15 H new ATOM 0 HD11 ILE A 73 -12.929 -0.529 4.117 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -11.770 0.291 5.189 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -11.396 0.092 3.461 1.00 0.24 H new ATOM 1167 N PRO A 74 -7.097 0.549 3.835 1.00 0.17 N ATOM 1168 CA PRO A 74 -5.739 0.974 4.091 1.00 0.18 C ATOM 1169 C PRO A 74 -5.538 1.604 5.471 1.00 0.17 C ATOM 1170 O PRO A 74 -5.927 2.747 5.704 1.00 0.19 O ATOM 1171 CB PRO A 74 -5.490 2.007 2.985 1.00 0.23 C ATOM 1172 CG PRO A 74 -6.838 2.350 2.409 1.00 0.31 C ATOM 1173 CD PRO A 74 -7.874 1.619 3.221 1.00 0.23 C ATOM 0 HA PRO A 74 -5.050 0.129 4.087 1.00 0.18 H new ATOM 0 HB2 PRO A 74 -5.002 2.895 3.387 1.00 0.23 H new ATOM 0 HB3 PRO A 74 -4.832 1.602 2.217 1.00 0.23 H new ATOM 0 HG2 PRO A 74 -7.009 3.426 2.447 1.00 0.31 H new ATOM 0 HG3 PRO A 74 -6.894 2.055 1.361 1.00 0.31 H new ATOM 0 HD2 PRO A 74 -8.335 2.266 3.968 1.00 0.23 H new ATOM 0 HD3 PRO A 74 -8.678 1.230 2.597 1.00 0.23 H new ATOM 1181 N SER A 75 -4.930 0.844 6.382 1.00 0.16 N ATOM 1182 CA SER A 75 -4.451 1.383 7.655 1.00 0.17 C ATOM 1183 C SER A 75 -3.226 2.267 7.399 1.00 0.16 C ATOM 1184 O SER A 75 -2.811 3.068 8.238 1.00 0.20 O ATOM 1185 CB SER A 75 -4.094 0.240 8.608 1.00 0.20 C ATOM 1186 OG SER A 75 -5.219 -0.582 8.869 1.00 1.19 O ATOM 0 H SER A 75 -4.757 -0.154 6.260 1.00 0.16 H new ATOM 0 HA SER A 75 -5.236 1.982 8.116 1.00 0.17 H new ATOM 0 HB2 SER A 75 -3.294 -0.361 8.175 1.00 0.20 H new ATOM 0 HB3 SER A 75 -3.715 0.649 9.544 1.00 0.20 H new ATOM 0 HG SER A 75 -5.420 -1.123 8.077 1.00 1.19 H new ATOM 1192 N CYS A 76 -2.677 2.095 6.204 1.00 0.17 N ATOM 1193 CA CYS A 76 -1.618 2.929 5.631 1.00 0.17 C ATOM 1194 C CYS A 76 -2.087 4.364 5.378 1.00 0.16 C ATOM 1195 O CYS A 76 -1.484 5.070 4.575 1.00 0.20 O ATOM 1196 CB CYS A 76 -1.055 2.307 4.352 1.00 0.25 C ATOM 1197 SG CYS A 76 -0.515 0.604 4.577 1.00 0.90 S ATOM 0 H CYS A 76 -2.966 1.342 5.579 1.00 0.17 H new ATOM 0 HA CYS A 76 -0.818 2.976 6.370 1.00 0.17 H new ATOM 0 HB2 CYS A 76 -1.816 2.341 3.572 1.00 0.25 H new ATOM 0 HB3 CYS A 76 -0.214 2.906 4.003 1.00 0.25 H new ATOM 0 HG CYS A 76 -1.263 0.026 5.469 1.00 0.90 H new ATOM 1203 N SER A 77 -3.220 4.738 5.982 1.00 0.20 N ATOM 1204 CA SER A 77 -3.972 5.960 5.670 1.00 0.25 C ATOM 1205 C SER A 77 -3.125 7.245 5.592 1.00 0.24 C ATOM 1206 O SER A 77 -3.649 8.286 5.209 1.00 0.26 O ATOM 1207 CB SER A 77 -5.049 6.154 6.733 1.00 0.34 C ATOM 1208 OG SER A 77 -5.607 4.911 7.126 1.00 0.71 O ATOM 0 H SER A 77 -3.652 4.184 6.722 1.00 0.20 H new ATOM 0 HA SER A 77 -4.385 5.810 4.673 1.00 0.25 H new ATOM 0 HB2 SER A 77 -4.621 6.655 7.601 1.00 0.34 H new ATOM 0 HB3 SER A 77 -5.835 6.803 6.345 1.00 0.34 H new ATOM 0 HG SER A 77 -5.828 4.385 6.329 1.00 0.71 H new ATOM 1214 N TYR A 78 -1.840 7.195 5.937 1.00 0.23 N ATOM 1215 CA TYR A 78 -0.931 8.278 5.569 1.00 0.24 C ATOM 1216 C TYR A 78 -0.974 8.437 4.050 1.00 0.20 C ATOM 1217 O TYR A 78 -1.139 9.537 3.524 1.00 0.21 O ATOM 1218 CB TYR A 78 0.507 7.978 6.040 1.00 0.27 C ATOM 1219 CG TYR A 78 1.583 8.336 5.025 1.00 0.24 C ATOM 1220 CD1 TYR A 78 2.046 9.638 4.891 1.00 0.24 C ATOM 1221 CD2 TYR A 78 2.123 7.362 4.192 1.00 0.26 C ATOM 1222 CE1 TYR A 78 3.015 9.958 3.955 1.00 0.25 C ATOM 1223 CE2 TYR A 78 3.089 7.671 3.255 1.00 0.27 C ATOM 1224 CZ TYR A 78 3.533 8.972 3.139 1.00 0.25 C ATOM 1225 OH TYR A 78 4.499 9.287 2.211 1.00 0.30 O ATOM 0 H TYR A 78 -1.411 6.432 6.461 1.00 0.23 H new ATOM 0 HA TYR A 78 -1.244 9.202 6.055 1.00 0.24 H new ATOM 0 HB2 TYR A 78 0.697 8.526 6.963 1.00 0.27 H new ATOM 0 HB3 TYR A 78 0.586 6.917 6.277 1.00 0.27 H new ATOM 0 HD1 TYR A 78 1.644 10.413 5.527 1.00 0.24 H new ATOM 0 HD2 TYR A 78 1.779 6.342 4.280 1.00 0.26 H new ATOM 0 HE1 TYR A 78 3.365 10.976 3.864 1.00 0.25 H new ATOM 0 HE2 TYR A 78 3.494 6.899 2.617 1.00 0.27 H new ATOM 0 HH TYR A 78 5.033 10.041 2.538 1.00 0.30 H new ATOM 1235 N VAL A 79 -0.859 7.303 3.365 1.00 0.18 N ATOM 1236 CA VAL A 79 -0.972 7.247 1.920 1.00 0.17 C ATOM 1237 C VAL A 79 -2.381 7.613 1.505 1.00 0.18 C ATOM 1238 O VAL A 79 -2.587 8.435 0.623 1.00 0.19 O ATOM 1239 CB VAL A 79 -0.659 5.831 1.385 1.00 0.18 C ATOM 1240 CG1 VAL A 79 -0.779 5.785 -0.128 1.00 0.20 C ATOM 1241 CG2 VAL A 79 0.720 5.373 1.825 1.00 0.18 C ATOM 0 H VAL A 79 -0.685 6.398 3.802 1.00 0.18 H new ATOM 0 HA VAL A 79 -0.252 7.951 1.504 1.00 0.17 H new ATOM 0 HB VAL A 79 -1.394 5.146 1.808 1.00 0.18 H new ATOM 0 HG11 VAL A 79 -0.554 4.778 -0.480 1.00 0.20 H new ATOM 0 HG12 VAL A 79 -1.794 6.054 -0.421 1.00 0.20 H new ATOM 0 HG13 VAL A 79 -0.075 6.490 -0.570 1.00 0.20 H new ATOM 0 HG21 VAL A 79 0.913 4.374 1.434 1.00 0.18 H new ATOM 0 HG22 VAL A 79 1.472 6.064 1.443 1.00 0.18 H new ATOM 0 HG23 VAL A 79 0.766 5.352 2.914 1.00 0.18 H new ATOM 1251 N SER A 80 -3.346 7.005 2.170 1.00 0.20 N ATOM 1252 CA SER A 80 -4.749 7.209 1.844 1.00 0.25 C ATOM 1253 C SER A 80 -5.113 8.688 1.873 1.00 0.23 C ATOM 1254 O SER A 80 -5.773 9.200 0.976 1.00 0.23 O ATOM 1255 CB SER A 80 -5.612 6.436 2.834 1.00 0.36 C ATOM 1256 OG SER A 80 -5.141 5.108 2.963 1.00 0.99 O ATOM 0 H SER A 80 -3.184 6.361 2.945 1.00 0.20 H new ATOM 0 HA SER A 80 -4.929 6.843 0.833 1.00 0.25 H new ATOM 0 HB2 SER A 80 -5.596 6.931 3.805 1.00 0.36 H new ATOM 0 HB3 SER A 80 -6.648 6.430 2.497 1.00 0.36 H new ATOM 0 HG SER A 80 -5.179 4.661 2.091 1.00 0.99 H new ATOM 1262 N ASP A 81 -4.635 9.369 2.891 1.00 0.24 N ATOM 1263 CA ASP A 81 -4.978 10.762 3.125 1.00 0.25 C ATOM 1264 C ASP A 81 -4.444 11.671 2.024 1.00 0.25 C ATOM 1265 O ASP A 81 -5.175 12.497 1.489 1.00 0.27 O ATOM 1266 CB ASP A 81 -4.427 11.198 4.486 1.00 0.31 C ATOM 1267 CG ASP A 81 -4.529 12.690 4.729 1.00 0.38 C ATOM 1268 OD1 ASP A 81 -5.588 13.142 5.210 1.00 0.48 O ATOM 1269 OD2 ASP A 81 -3.570 13.420 4.409 1.00 0.47 O ATOM 0 H ASP A 81 -3.997 8.976 3.583 1.00 0.24 H new ATOM 0 HA ASP A 81 -6.064 10.851 3.119 1.00 0.25 H new ATOM 0 HB2 ASP A 81 -4.967 10.672 5.273 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -3.382 10.896 4.560 1.00 0.31 H new ATOM 1274 N THR A 82 -3.165 11.546 1.716 1.00 0.23 N ATOM 1275 CA THR A 82 -2.546 12.400 0.708 1.00 0.25 C ATOM 1276 C THR A 82 -2.660 11.811 -0.711 1.00 0.22 C ATOM 1277 O THR A 82 -3.133 12.471 -1.641 1.00 0.23 O ATOM 1278 CB THR A 82 -1.067 12.716 1.057 1.00 0.28 C ATOM 1279 OG1 THR A 82 -0.488 13.578 0.066 1.00 0.31 O ATOM 1280 CG2 THR A 82 -0.230 11.447 1.181 1.00 0.26 C ATOM 0 H THR A 82 -2.535 10.867 2.144 1.00 0.23 H new ATOM 0 HA THR A 82 -3.103 13.337 0.715 1.00 0.25 H new ATOM 0 HB THR A 82 -1.066 13.220 2.023 1.00 0.28 H new ATOM 0 HG1 THR A 82 0.444 13.768 0.302 1.00 0.31 H new ATOM 0 HG21 THR A 82 0.799 11.712 1.426 1.00 0.26 H new ATOM 0 HG22 THR A 82 -0.640 10.816 1.970 1.00 0.26 H new ATOM 0 HG23 THR A 82 -0.250 10.904 0.236 1.00 0.26 H new ATOM 1288 N PHE A 83 -2.248 10.560 -0.860 1.00 0.19 N ATOM 1289 CA PHE A 83 -2.068 9.949 -2.171 1.00 0.19 C ATOM 1290 C PHE A 83 -3.386 9.625 -2.854 1.00 0.19 C ATOM 1291 O PHE A 83 -3.493 9.730 -4.073 1.00 0.21 O ATOM 1292 CB PHE A 83 -1.253 8.673 -2.037 1.00 0.18 C ATOM 1293 CG PHE A 83 -0.504 8.308 -3.282 1.00 0.80 C ATOM 1294 CD1 PHE A 83 0.459 9.160 -3.799 1.00 0.81 C ATOM 1295 CD2 PHE A 83 -0.767 7.120 -3.941 1.00 1.54 C ATOM 1296 CE1 PHE A 83 1.147 8.833 -4.949 1.00 1.50 C ATOM 1297 CE2 PHE A 83 -0.082 6.789 -5.094 1.00 2.25 C ATOM 1298 CZ PHE A 83 0.875 7.644 -5.598 1.00 2.24 C ATOM 0 H PHE A 83 -2.030 9.941 -0.079 1.00 0.19 H new ATOM 0 HA PHE A 83 -1.545 10.678 -2.790 1.00 0.19 H new ATOM 0 HB2 PHE A 83 -0.544 8.789 -1.217 1.00 0.18 H new ATOM 0 HB3 PHE A 83 -1.919 7.853 -1.770 1.00 0.18 H new ATOM 0 HD1 PHE A 83 0.673 10.091 -3.296 1.00 0.81 H new ATOM 0 HD2 PHE A 83 -1.515 6.445 -3.550 1.00 1.54 H new ATOM 0 HE1 PHE A 83 1.896 9.505 -5.341 1.00 1.50 H new ATOM 0 HE2 PHE A 83 -0.296 5.860 -5.601 1.00 2.25 H new ATOM 0 HZ PHE A 83 1.411 7.385 -6.499 1.00 2.24 H new ATOM 1308 N LEU A 84 -4.378 9.211 -2.083 1.00 0.18 N ATOM 1309 CA LEU A 84 -5.655 8.809 -2.670 1.00 0.19 C ATOM 1310 C LEU A 84 -6.407 9.976 -3.314 1.00 0.22 C ATOM 1311 O LEU A 84 -6.987 9.803 -4.378 1.00 0.26 O ATOM 1312 CB LEU A 84 -6.529 8.090 -1.652 1.00 0.20 C ATOM 1313 CG LEU A 84 -6.224 6.600 -1.509 1.00 0.25 C ATOM 1314 CD1 LEU A 84 -6.954 6.017 -0.316 1.00 0.35 C ATOM 1315 CD2 LEU A 84 -6.616 5.859 -2.777 1.00 0.34 C ATOM 0 H LEU A 84 -4.331 9.143 -1.066 1.00 0.18 H new ATOM 0 HA LEU A 84 -5.418 8.111 -3.473 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -6.406 8.570 -0.681 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -7.574 8.210 -1.937 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.152 6.482 -1.349 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -6.723 4.955 -0.232 1.00 0.35 H new ATOM 0 HD12 LEU A 84 -6.636 6.530 0.591 1.00 0.35 H new ATOM 0 HD13 LEU A 84 -8.028 6.146 -0.448 1.00 0.35 H new ATOM 0 HD21 LEU A 84 -6.393 4.798 -2.662 1.00 0.34 H new ATOM 0 HD22 LEU A 84 -7.683 5.988 -2.959 1.00 0.34 H new ATOM 0 HD23 LEU A 84 -6.053 6.258 -3.621 1.00 0.34 H new ATOM 1327 N PRO A 85 -6.441 11.171 -2.694 1.00 0.22 N ATOM 1328 CA PRO A 85 -6.949 12.372 -3.368 1.00 0.26 C ATOM 1329 C PRO A 85 -6.158 12.677 -4.633 1.00 0.28 C ATOM 1330 O PRO A 85 -6.692 13.204 -5.610 1.00 0.33 O ATOM 1331 CB PRO A 85 -6.743 13.487 -2.345 1.00 0.28 C ATOM 1332 CG PRO A 85 -6.676 12.796 -1.035 1.00 0.30 C ATOM 1333 CD PRO A 85 -6.063 11.449 -1.301 1.00 0.22 C ATOM 0 HA PRO A 85 -7.988 12.255 -3.678 1.00 0.26 H new ATOM 0 HB2 PRO A 85 -5.827 14.043 -2.546 1.00 0.28 H new ATOM 0 HB3 PRO A 85 -7.563 14.204 -2.372 1.00 0.28 H new ATOM 0 HG2 PRO A 85 -6.074 13.364 -0.326 1.00 0.30 H new ATOM 0 HG3 PRO A 85 -7.669 12.692 -0.599 1.00 0.30 H new ATOM 0 HD2 PRO A 85 -4.981 11.468 -1.175 1.00 0.22 H new ATOM 0 HD3 PRO A 85 -6.450 10.690 -0.621 1.00 0.22 H new ATOM 1341 N ARG A 86 -4.876 12.342 -4.599 1.00 0.27 N ATOM 1342 CA ARG A 86 -3.991 12.556 -5.733 1.00 0.31 C ATOM 1343 C ARG A 86 -4.299 11.563 -6.856 1.00 0.35 C ATOM 1344 O ARG A 86 -4.316 11.924 -8.032 1.00 0.48 O ATOM 1345 CB ARG A 86 -2.535 12.432 -5.277 1.00 0.33 C ATOM 1346 CG ARG A 86 -1.514 12.596 -6.389 1.00 0.75 C ATOM 1347 CD ARG A 86 -0.107 12.664 -5.824 1.00 0.72 C ATOM 1348 NE ARG A 86 0.906 12.736 -6.874 1.00 1.43 N ATOM 1349 CZ ARG A 86 1.828 13.695 -6.955 1.00 1.69 C ATOM 1350 NH1 ARG A 86 1.806 14.724 -6.115 1.00 1.44 N ATOM 1351 NH2 ARG A 86 2.752 13.647 -7.905 1.00 2.56 N ATOM 0 H ARG A 86 -4.423 11.917 -3.790 1.00 0.27 H new ATOM 0 HA ARG A 86 -4.153 13.560 -6.126 1.00 0.31 H new ATOM 0 HB2 ARG A 86 -2.342 13.182 -4.510 1.00 0.33 H new ATOM 0 HB3 ARG A 86 -2.394 11.456 -4.812 1.00 0.33 H new ATOM 0 HG2 ARG A 86 -1.591 11.761 -7.085 1.00 0.75 H new ATOM 0 HG3 ARG A 86 -1.728 13.503 -6.954 1.00 0.75 H new ATOM 0 HD2 ARG A 86 -0.019 13.536 -5.176 1.00 0.72 H new ATOM 0 HD3 ARG A 86 0.077 11.787 -5.204 1.00 0.72 H new ATOM 0 HE ARG A 86 0.908 12.008 -7.589 1.00 1.43 H new ATOM 0 HH11 ARG A 86 1.080 14.784 -5.401 1.00 1.44 H new ATOM 0 HH12 ARG A 86 2.515 15.454 -6.184 1.00 1.44 H new ATOM 0 HH21 ARG A 86 2.757 12.876 -8.573 1.00 2.56 H new ATOM 0 HH22 ARG A 86 3.458 14.381 -7.967 1.00 2.56 H new ATOM 1365 N ASN A 87 -4.551 10.313 -6.481 1.00 0.30 N ATOM 1366 CA ASN A 87 -4.922 9.277 -7.442 1.00 0.37 C ATOM 1367 C ASN A 87 -6.176 8.546 -6.974 1.00 0.34 C ATOM 1368 O ASN A 87 -6.094 7.451 -6.409 1.00 0.35 O ATOM 1369 CB ASN A 87 -3.784 8.267 -7.643 1.00 0.50 C ATOM 1370 CG ASN A 87 -2.549 8.877 -8.275 1.00 0.95 C ATOM 1371 OD1 ASN A 87 -2.436 8.949 -9.498 1.00 1.78 O ATOM 1372 ND2 ASN A 87 -1.608 9.302 -7.447 1.00 1.22 N ATOM 0 H ASN A 87 -4.505 9.991 -5.514 1.00 0.30 H new ATOM 0 HA ASN A 87 -5.120 9.767 -8.395 1.00 0.37 H new ATOM 0 HB2 ASN A 87 -3.515 7.836 -6.679 1.00 0.50 H new ATOM 0 HB3 ASN A 87 -4.139 7.449 -8.270 1.00 0.50 H new ATOM 0 HD21 ASN A 87 -0.749 9.708 -7.817 1.00 1.22 H new ATOM 0 HD22 ASN A 87 -1.742 9.224 -6.439 1.00 1.22 H new ATOM 1379 N PRO A 88 -7.358 9.150 -7.178 1.00 0.38 N ATOM 1380 CA PRO A 88 -8.624 8.595 -6.720 1.00 0.42 C ATOM 1381 C PRO A 88 -9.173 7.551 -7.681 1.00 0.49 C ATOM 1382 O PRO A 88 -10.237 7.730 -8.275 1.00 0.89 O ATOM 1383 CB PRO A 88 -9.560 9.815 -6.656 1.00 0.53 C ATOM 1384 CG PRO A 88 -8.778 10.981 -7.181 1.00 0.51 C ATOM 1385 CD PRO A 88 -7.562 10.425 -7.866 1.00 0.46 C ATOM 0 HA PRO A 88 -8.519 8.080 -5.765 1.00 0.42 H new ATOM 0 HB2 PRO A 88 -10.456 9.648 -7.254 1.00 0.53 H new ATOM 0 HB3 PRO A 88 -9.889 9.998 -5.633 1.00 0.53 H new ATOM 0 HG2 PRO A 88 -9.379 11.566 -7.878 1.00 0.51 H new ATOM 0 HG3 PRO A 88 -8.491 11.649 -6.369 1.00 0.51 H new ATOM 0 HD2 PRO A 88 -7.727 10.286 -8.934 1.00 0.46 H new ATOM 0 HD3 PRO A 88 -6.701 11.084 -7.760 1.00 0.46 H new ATOM 1393 N SER A 89 -8.444 6.457 -7.831 1.00 0.30 N ATOM 1394 CA SER A 89 -8.842 5.409 -8.756 1.00 0.36 C ATOM 1395 C SER A 89 -9.156 4.117 -8.007 1.00 0.34 C ATOM 1396 O SER A 89 -9.669 3.159 -8.583 1.00 0.42 O ATOM 1397 CB SER A 89 -7.727 5.175 -9.780 1.00 0.44 C ATOM 1398 OG SER A 89 -7.367 6.388 -10.424 1.00 1.37 O ATOM 0 H SER A 89 -7.577 6.272 -7.326 1.00 0.30 H new ATOM 0 HA SER A 89 -9.746 5.725 -9.277 1.00 0.36 H new ATOM 0 HB2 SER A 89 -6.855 4.750 -9.283 1.00 0.44 H new ATOM 0 HB3 SER A 89 -8.057 4.448 -10.523 1.00 0.44 H new ATOM 0 HG SER A 89 -6.653 6.215 -11.072 1.00 1.37 H new ATOM 1404 N TRP A 90 -8.877 4.113 -6.711 1.00 0.30 N ATOM 1405 CA TRP A 90 -8.994 2.904 -5.904 1.00 0.28 C ATOM 1406 C TRP A 90 -10.258 2.938 -5.047 1.00 0.32 C ATOM 1407 O TRP A 90 -10.453 2.097 -4.170 1.00 0.33 O ATOM 1408 CB TRP A 90 -7.753 2.759 -5.030 1.00 0.29 C ATOM 1409 CG TRP A 90 -6.487 3.094 -5.764 1.00 0.30 C ATOM 1410 CD1 TRP A 90 -5.678 4.172 -5.545 1.00 0.35 C ATOM 1411 CD2 TRP A 90 -5.899 2.366 -6.851 1.00 0.30 C ATOM 1412 NE1 TRP A 90 -4.617 4.151 -6.412 1.00 0.38 N ATOM 1413 CE2 TRP A 90 -4.727 3.054 -7.226 1.00 0.35 C ATOM 1414 CE3 TRP A 90 -6.241 1.196 -7.539 1.00 0.29 C ATOM 1415 CZ2 TRP A 90 -3.902 2.611 -8.257 1.00 0.39 C ATOM 1416 CZ3 TRP A 90 -5.421 0.760 -8.561 1.00 0.34 C ATOM 1417 CH2 TRP A 90 -4.262 1.465 -8.912 1.00 0.38 C ATOM 0 H TRP A 90 -8.567 4.936 -6.194 1.00 0.30 H new ATOM 0 HA TRP A 90 -9.070 2.042 -6.566 1.00 0.28 H new ATOM 0 HB2 TRP A 90 -7.847 3.410 -4.161 1.00 0.29 H new ATOM 0 HB3 TRP A 90 -7.693 1.736 -4.658 1.00 0.29 H new ATOM 0 HD1 TRP A 90 -5.850 4.931 -4.797 1.00 0.35 H new ATOM 0 HE1 TRP A 90 -3.866 4.841 -6.446 1.00 0.38 H new ATOM 0 HE3 TRP A 90 -7.131 0.644 -7.275 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 -3.009 3.153 -8.530 1.00 0.39 H new ATOM 0 HZ3 TRP A 90 -5.678 -0.140 -9.099 1.00 0.34 H new ATOM 0 HH2 TRP A 90 -3.641 1.097 -9.715 1.00 0.38 H new ATOM 1428 N LYS A 91 -11.113 3.919 -5.322 1.00 0.37 N ATOM 1429 CA LYS A 91 -12.399 4.067 -4.637 1.00 0.43 C ATOM 1430 C LYS A 91 -13.207 2.757 -4.621 1.00 0.41 C ATOM 1431 O LYS A 91 -13.705 2.363 -3.568 1.00 0.42 O ATOM 1432 CB LYS A 91 -13.220 5.183 -5.296 1.00 0.55 C ATOM 1433 CG LYS A 91 -14.575 5.422 -4.643 1.00 1.20 C ATOM 1434 CD LYS A 91 -15.427 6.392 -5.449 1.00 1.38 C ATOM 1435 CE LYS A 91 -14.774 7.760 -5.555 1.00 1.83 C ATOM 1436 NZ LYS A 91 -15.575 8.694 -6.388 1.00 2.61 N ATOM 0 H LYS A 91 -10.936 4.636 -6.026 1.00 0.37 H new ATOM 0 HA LYS A 91 -12.186 4.330 -3.601 1.00 0.43 H new ATOM 0 HB2 LYS A 91 -12.645 6.109 -5.267 1.00 0.55 H new ATOM 0 HB3 LYS A 91 -13.373 4.936 -6.347 1.00 0.55 H new ATOM 0 HG2 LYS A 91 -15.102 4.473 -4.541 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -14.429 5.815 -3.637 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -15.591 5.989 -6.448 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -16.406 6.492 -4.981 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -14.648 8.180 -4.557 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -13.778 7.654 -5.984 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -15.095 9.616 -6.435 1.00 2.61 H new ATOM 0 HZ2 LYS A 91 -15.674 8.306 -7.348 1.00 2.61 H new ATOM 0 HZ3 LYS A 91 -16.517 8.815 -5.965 1.00 2.61 H new ATOM 1450 N PRO A 92 -13.362 2.059 -5.777 1.00 0.41 N ATOM 1451 CA PRO A 92 -14.111 0.790 -5.842 1.00 0.42 C ATOM 1452 C PRO A 92 -13.601 -0.278 -4.877 1.00 0.38 C ATOM 1453 O PRO A 92 -14.316 -1.232 -4.562 1.00 0.48 O ATOM 1454 CB PRO A 92 -13.909 0.325 -7.287 1.00 0.46 C ATOM 1455 CG PRO A 92 -13.645 1.573 -8.047 1.00 0.69 C ATOM 1456 CD PRO A 92 -12.873 2.458 -7.115 1.00 0.43 C ATOM 0 HA PRO A 92 -15.152 0.943 -5.556 1.00 0.42 H new ATOM 0 HB2 PRO A 92 -13.075 -0.372 -7.366 1.00 0.46 H new ATOM 0 HB3 PRO A 92 -14.792 -0.190 -7.665 1.00 0.46 H new ATOM 0 HG2 PRO A 92 -13.076 1.367 -8.953 1.00 0.69 H new ATOM 0 HG3 PRO A 92 -14.576 2.048 -8.357 1.00 0.69 H new ATOM 0 HD2 PRO A 92 -11.798 2.303 -7.212 1.00 0.43 H new ATOM 0 HD3 PRO A 92 -13.063 3.513 -7.314 1.00 0.43 H new ATOM 1464 N LEU A 93 -12.376 -0.117 -4.406 1.00 0.30 N ATOM 1465 CA LEU A 93 -11.755 -1.104 -3.535 1.00 0.26 C ATOM 1466 C LEU A 93 -11.977 -0.748 -2.078 1.00 0.22 C ATOM 1467 O LEU A 93 -12.301 -1.601 -1.253 1.00 0.21 O ATOM 1468 CB LEU A 93 -10.255 -1.153 -3.810 1.00 0.25 C ATOM 1469 CG LEU A 93 -9.885 -1.255 -5.283 1.00 0.25 C ATOM 1470 CD1 LEU A 93 -8.390 -1.058 -5.466 1.00 0.26 C ATOM 1471 CD2 LEU A 93 -10.315 -2.602 -5.837 1.00 0.26 C ATOM 0 H LEU A 93 -11.789 0.691 -4.613 1.00 0.30 H new ATOM 0 HA LEU A 93 -12.207 -2.075 -3.736 1.00 0.26 H new ATOM 0 HB2 LEU A 93 -9.793 -0.258 -3.394 1.00 0.25 H new ATOM 0 HB3 LEU A 93 -9.830 -2.006 -3.282 1.00 0.25 H new ATOM 0 HG LEU A 93 -10.406 -0.470 -5.832 1.00 0.25 H new ATOM 0 HD11 LEU A 93 -8.140 -1.134 -6.524 1.00 0.26 H new ATOM 0 HD12 LEU A 93 -8.105 -0.074 -5.095 1.00 0.26 H new ATOM 0 HD13 LEU A 93 -7.851 -1.825 -4.910 1.00 0.26 H new ATOM 0 HD21 LEU A 93 -10.046 -2.665 -6.891 1.00 0.26 H new ATOM 0 HD22 LEU A 93 -9.814 -3.398 -5.287 1.00 0.26 H new ATOM 0 HD23 LEU A 93 -11.394 -2.711 -5.731 1.00 0.26 H new ATOM 1483 N ILE A 94 -11.824 0.529 -1.786 1.00 0.27 N ATOM 1484 CA ILE A 94 -11.768 1.013 -0.418 1.00 0.22 C ATOM 1485 C ILE A 94 -12.891 1.999 -0.135 1.00 0.27 C ATOM 1486 O ILE A 94 -13.970 1.920 -0.717 1.00 0.36 O ATOM 1487 CB ILE A 94 -10.415 1.714 -0.168 1.00 0.25 C ATOM 1488 CG1 ILE A 94 -10.241 2.890 -1.125 1.00 0.39 C ATOM 1489 CG2 ILE A 94 -9.270 0.736 -0.336 1.00 0.27 C ATOM 1490 CD1 ILE A 94 -8.879 3.530 -1.046 1.00 0.75 C ATOM 0 H ILE A 94 -11.735 1.262 -2.490 1.00 0.27 H new ATOM 0 HA ILE A 94 -11.879 0.155 0.245 1.00 0.22 H new ATOM 0 HB ILE A 94 -10.408 2.088 0.856 1.00 0.25 H new ATOM 0 HG12 ILE A 94 -10.415 2.547 -2.145 1.00 0.39 H new ATOM 0 HG13 ILE A 94 -11.000 3.641 -0.908 1.00 0.39 H new ATOM 0 HG21 ILE A 94 -8.325 1.248 -0.156 1.00 0.27 H new ATOM 0 HG22 ILE A 94 -9.382 -0.081 0.377 1.00 0.27 H new ATOM 0 HG23 ILE A 94 -9.279 0.336 -1.350 1.00 0.27 H new ATOM 0 HD11 ILE A 94 -8.825 4.358 -1.752 1.00 0.75 H new ATOM 0 HD12 ILE A 94 -8.710 3.903 -0.036 1.00 0.75 H new ATOM 0 HD13 ILE A 94 -8.115 2.792 -1.293 1.00 0.75 H new ATOM 1502 N HIS A 95 -12.631 2.906 0.794 1.00 0.31 N ATOM 1503 CA HIS A 95 -13.526 4.015 1.054 1.00 0.43 C ATOM 1504 C HIS A 95 -13.291 5.109 0.014 1.00 0.39 C ATOM 1505 O HIS A 95 -13.962 5.153 -1.017 1.00 0.55 O ATOM 1506 CB HIS A 95 -13.287 4.570 2.466 1.00 0.64 C ATOM 1507 CG HIS A 95 -13.735 3.672 3.579 1.00 1.05 C ATOM 1508 ND1 HIS A 95 -13.432 3.911 4.905 1.00 2.01 N ATOM 1509 CD2 HIS A 95 -14.474 2.534 3.567 1.00 1.22 C ATOM 1510 CE1 HIS A 95 -13.963 2.963 5.655 1.00 2.24 C ATOM 1511 NE2 HIS A 95 -14.600 2.117 4.869 1.00 1.70 N ATOM 0 H HIS A 95 -11.799 2.892 1.383 1.00 0.31 H new ATOM 0 HA HIS A 95 -14.557 3.668 0.988 1.00 0.43 H new ATOM 0 HB2 HIS A 95 -12.223 4.771 2.587 1.00 0.64 H new ATOM 0 HB3 HIS A 95 -13.804 5.525 2.558 1.00 0.64 H new ATOM 0 HD2 HIS A 95 -14.886 2.047 2.696 1.00 1.22 H new ATOM 0 HE1 HIS A 95 -13.888 2.892 6.730 1.00 2.24 H new ATOM 0 HE2 HIS A 95 -15.105 1.287 5.179 1.00 1.70 H new ATOM 1520 N SER A 96 -12.303 5.954 0.303 1.00 0.41 N ATOM 1521 CA SER A 96 -11.859 7.039 -0.566 1.00 0.49 C ATOM 1522 C SER A 96 -11.048 7.995 0.292 1.00 0.67 C ATOM 1523 O SER A 96 -11.559 8.495 1.303 1.00 1.53 O ATOM 1524 CB SER A 96 -13.024 7.809 -1.182 1.00 0.51 C ATOM 1525 OG SER A 96 -12.593 8.588 -2.284 1.00 1.43 O ATOM 0 H SER A 96 -11.775 5.900 1.174 1.00 0.41 H new ATOM 0 HA SER A 96 -11.280 6.616 -1.387 1.00 0.49 H new ATOM 0 HB2 SER A 96 -13.795 7.110 -1.506 1.00 0.51 H new ATOM 0 HB3 SER A 96 -13.475 8.456 -0.430 1.00 0.51 H new ATOM 0 HG SER A 96 -13.357 9.070 -2.663 1.00 1.43 H new ATOM 1531 N GLU A 97 -9.797 8.231 -0.086 1.00 0.58 N ATOM 1532 CA GLU A 97 -8.894 9.022 0.728 1.00 0.52 C ATOM 1533 C GLU A 97 -8.740 8.318 2.079 1.00 0.61 C ATOM 1534 O GLU A 97 -8.740 7.086 2.141 1.00 0.83 O ATOM 1535 CB GLU A 97 -9.429 10.452 0.881 1.00 0.47 C ATOM 1536 CG GLU A 97 -8.448 11.428 1.513 1.00 1.09 C ATOM 1537 CD GLU A 97 -9.121 12.349 2.503 1.00 1.52 C ATOM 1538 OE1 GLU A 97 -9.865 11.840 3.371 1.00 1.79 O ATOM 1539 OE2 GLU A 97 -8.907 13.574 2.429 1.00 1.89 O ATOM 0 H GLU A 97 -9.388 7.883 -0.953 1.00 0.58 H new ATOM 0 HA GLU A 97 -7.915 9.104 0.255 1.00 0.52 H new ATOM 0 HB2 GLU A 97 -9.713 10.827 -0.102 1.00 0.47 H new ATOM 0 HB3 GLU A 97 -10.335 10.425 1.486 1.00 0.47 H new ATOM 0 HG2 GLU A 97 -7.657 10.872 2.016 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -7.973 12.021 0.731 1.00 1.09 H new