USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 86 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Set 2.1: A 80 THR OG1 : rot 58:sc= 1.16 USER MOD Set 2.2: A 91 THR OG1 : rot 125:sc= 0.965 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.099 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0.0256 K(o=0.026,f=-0.82) USER MOD Single : A 5 THR OG1 : rot 174:sc= 1.28 USER MOD Single : A 9 CYS SG : rot 124:sc= 1.92 USER MOD Single : A 11 MET CE :methyl 140:sc= -0.217 (180deg=-1.46!) USER MOD Single : A 12 ASN : amide:sc= 0.93 K(o=0.93,f=-0.17) USER MOD Single : A 13 MET CE :methyl -139:sc= -3.46! (180deg=-8.87!) USER MOD Single : A 25 TYR OH : rot -177:sc= 0.302 USER MOD Single : A 36 CYS SG : rot -47:sc= -0.0466 USER MOD Single : A 37 SER OG : rot 8:sc= 0.622 USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00717) USER MOD Single : A 39 TYR OH : rot 122:sc= 0.955 USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.06) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 63:sc= 0.47 USER MOD Single : A 61 LYS NZ :NH3+ 149:sc= 0.199 (180deg=0.00439) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -43:sc= -2.83! USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 178:sc= 0.884 (180deg=0.881) USER MOD Single : A 76 MET CE :methyl -132:sc= -0.14 (180deg=-1.76!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 92 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0438) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 175:sc= -0.0245 USER MOD Single : A 98 SER OG : rot -45:sc= 1.13 USER MOD Single : A 99 TYR OH : rot 98:sc= 0.307 USER MOD Single : A 100 HIS : no HD1:sc= -0.0321 X(o=-0.032,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.728 15.219 8.001 1.00 0.00 N ATOM 2 CA GLY A 1 14.616 14.371 6.816 1.00 0.00 C ATOM 3 C GLY A 1 14.437 15.193 5.556 1.00 0.00 C ATOM 4 O GLY A 1 14.606 16.413 5.576 1.00 0.00 O ATOM 0 H1 GLY A 1 15.597 14.979 8.519 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.762 16.217 7.712 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.904 15.065 8.617 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.509 13.753 6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.770 13.693 6.932 1.00 0.00 H new ATOM 8 N GLY A 2 14.158 14.504 4.446 1.00 0.00 N ATOM 9 CA GLY A 2 14.039 15.087 3.116 1.00 0.00 C ATOM 10 C GLY A 2 12.774 15.929 2.950 1.00 0.00 C ATOM 11 O GLY A 2 12.005 16.139 3.890 1.00 0.00 O ATOM 0 H GLY A 2 14.005 13.496 4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 2 14.912 15.708 2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 2 14.039 14.289 2.373 1.00 0.00 H new ATOM 15 N HIS A 3 12.557 16.423 1.734 1.00 0.00 N ATOM 16 CA HIS A 3 11.404 17.234 1.365 1.00 0.00 C ATOM 17 C HIS A 3 10.100 16.416 1.412 1.00 0.00 C ATOM 18 O HIS A 3 10.148 15.189 1.284 1.00 0.00 O ATOM 19 CB HIS A 3 11.671 17.864 -0.012 1.00 0.00 C ATOM 20 CG HIS A 3 11.962 16.883 -1.122 1.00 0.00 C ATOM 21 ND1 HIS A 3 13.192 16.341 -1.426 1.00 0.00 N ATOM 22 CD2 HIS A 3 11.075 16.456 -2.072 1.00 0.00 C ATOM 23 CE1 HIS A 3 13.051 15.603 -2.536 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.780 15.653 -2.972 1.00 0.00 N ATOM 0 H HIS A 3 13.198 16.265 0.957 1.00 0.00 H new ATOM 0 HA HIS A 3 11.264 18.037 2.089 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.804 18.461 -0.295 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.515 18.548 0.077 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.023 16.696 -2.118 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.845 15.047 -3.012 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.403 15.193 -3.801 1.00 0.00 H new ATOM 32 N PRO A 4 8.929 17.060 1.583 1.00 0.00 N ATOM 33 CA PRO A 4 7.637 16.403 1.413 1.00 0.00 C ATOM 34 C PRO A 4 7.431 16.108 -0.071 1.00 0.00 C ATOM 35 O PRO A 4 7.887 16.887 -0.913 1.00 0.00 O ATOM 36 CB PRO A 4 6.597 17.416 1.908 1.00 0.00 C ATOM 37 CG PRO A 4 7.267 18.765 1.647 1.00 0.00 C ATOM 38 CD PRO A 4 8.748 18.471 1.890 1.00 0.00 C ATOM 0 HA PRO A 4 7.563 15.463 1.959 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.656 17.323 1.366 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.372 17.277 2.965 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.087 19.114 0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.894 19.537 2.320 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.379 19.093 1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.025 18.685 2.922 1.00 0.00 H new ATOM 46 N THR A 5 6.684 15.061 -0.396 1.00 0.00 N ATOM 47 CA THR A 5 6.385 14.674 -1.767 1.00 0.00 C ATOM 48 C THR A 5 4.870 14.554 -1.936 1.00 0.00 C ATOM 49 O THR A 5 4.097 14.684 -0.981 1.00 0.00 O ATOM 50 CB THR A 5 7.097 13.350 -2.108 1.00 0.00 C ATOM 51 OG1 THR A 5 6.705 12.403 -1.134 1.00 0.00 O ATOM 52 CG2 THR A 5 8.626 13.472 -2.046 1.00 0.00 C ATOM 0 H THR A 5 6.261 14.446 0.299 1.00 0.00 H new ATOM 0 HA THR A 5 6.751 15.434 -2.457 1.00 0.00 H new ATOM 0 HB THR A 5 6.823 13.063 -3.123 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.060 11.522 -1.373 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.078 12.512 -2.295 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.960 14.226 -2.759 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.927 13.765 -1.040 1.00 0.00 H new ATOM 60 N GLU A 6 4.462 14.278 -3.167 1.00 0.00 N ATOM 61 CA GLU A 6 3.120 13.865 -3.540 1.00 0.00 C ATOM 62 C GLU A 6 2.790 12.409 -3.098 1.00 0.00 C ATOM 63 O GLU A 6 1.681 11.906 -3.305 1.00 0.00 O ATOM 64 CB GLU A 6 3.014 14.113 -5.049 1.00 0.00 C ATOM 65 CG GLU A 6 1.690 13.662 -5.665 1.00 0.00 C ATOM 66 CD GLU A 6 1.469 14.300 -7.029 1.00 0.00 C ATOM 67 OE1 GLU A 6 2.193 13.945 -7.989 1.00 0.00 O ATOM 68 OE2 GLU A 6 0.647 15.238 -7.156 1.00 0.00 O ATOM 0 H GLU A 6 5.089 14.340 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 6 2.360 14.444 -3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.148 15.177 -5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.831 13.593 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.683 12.576 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.868 13.927 -5.000 1.00 0.00 H new ATOM 75 N VAL A 7 3.744 11.713 -2.478 1.00 0.00 N ATOM 76 CA VAL A 7 3.857 10.260 -2.527 1.00 0.00 C ATOM 77 C VAL A 7 4.056 9.728 -1.104 1.00 0.00 C ATOM 78 O VAL A 7 5.046 10.028 -0.440 1.00 0.00 O ATOM 79 CB VAL A 7 4.969 9.908 -3.541 1.00 0.00 C ATOM 80 CG1 VAL A 7 5.143 8.410 -3.763 1.00 0.00 C ATOM 81 CG2 VAL A 7 4.615 10.516 -4.910 1.00 0.00 C ATOM 0 H VAL A 7 4.473 12.155 -1.918 1.00 0.00 H new ATOM 0 HA VAL A 7 2.954 9.767 -2.885 1.00 0.00 H new ATOM 0 HB VAL A 7 5.893 10.306 -3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.940 8.240 -4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.401 7.930 -2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.212 7.988 -4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.396 10.271 -5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.664 10.109 -5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.534 11.599 -4.817 1.00 0.00 H new ATOM 91 N LEU A 8 3.077 8.980 -0.601 1.00 0.00 N ATOM 92 CA LEU A 8 2.986 8.505 0.770 1.00 0.00 C ATOM 93 C LEU A 8 2.848 6.991 0.756 1.00 0.00 C ATOM 94 O LEU A 8 2.119 6.447 -0.073 1.00 0.00 O ATOM 95 CB LEU A 8 1.782 9.149 1.481 1.00 0.00 C ATOM 96 CG LEU A 8 2.204 10.281 2.441 1.00 0.00 C ATOM 97 CD1 LEU A 8 2.069 11.655 1.804 1.00 0.00 C ATOM 98 CD2 LEU A 8 1.381 10.263 3.732 1.00 0.00 C ATOM 0 H LEU A 8 2.288 8.675 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 8 3.887 8.784 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.093 9.546 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.242 8.385 2.040 1.00 0.00 H new ATOM 0 HG LEU A 8 3.253 10.096 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.377 12.419 2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.702 11.709 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.031 11.823 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.707 11.074 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.325 10.392 3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.524 9.310 4.241 1.00 0.00 H new ATOM 110 N CYS A 9 3.482 6.323 1.722 1.00 0.00 N ATOM 111 CA CYS A 9 3.520 4.867 1.810 1.00 0.00 C ATOM 112 C CYS A 9 3.162 4.378 3.211 1.00 0.00 C ATOM 113 O CYS A 9 3.751 4.781 4.217 1.00 0.00 O ATOM 114 CB CYS A 9 4.903 4.374 1.388 1.00 0.00 C ATOM 115 SG CYS A 9 4.953 2.556 1.423 1.00 0.00 S ATOM 0 H CYS A 9 3.990 6.788 2.475 1.00 0.00 H new ATOM 0 HA CYS A 9 2.771 4.455 1.134 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.136 4.733 0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.662 4.780 2.056 1.00 0.00 H new ATOM 0 HG CYS A 9 5.304 2.109 0.254 1.00 0.00 H new ATOM 121 N LEU A 10 2.181 3.483 3.257 1.00 0.00 N ATOM 122 CA LEU A 10 1.366 3.145 4.398 1.00 0.00 C ATOM 123 C LEU A 10 1.623 1.684 4.753 1.00 0.00 C ATOM 124 O LEU A 10 1.243 0.765 4.023 1.00 0.00 O ATOM 125 CB LEU A 10 -0.110 3.344 4.041 1.00 0.00 C ATOM 126 CG LEU A 10 -0.596 4.721 3.580 1.00 0.00 C ATOM 127 CD1 LEU A 10 -0.394 5.751 4.683 1.00 0.00 C ATOM 128 CD2 LEU A 10 -0.055 5.214 2.243 1.00 0.00 C ATOM 0 H LEU A 10 1.923 2.940 2.433 1.00 0.00 H new ATOM 0 HA LEU A 10 1.613 3.782 5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.354 2.631 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.698 3.066 4.916 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.660 4.588 3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.744 6.725 4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.958 5.453 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.665 5.814 4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.469 6.198 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.032 5.281 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.340 4.516 1.456 1.00 0.00 H new ATOM 140 N MET A 11 2.322 1.467 5.857 1.00 0.00 N ATOM 141 CA MET A 11 2.658 0.135 6.345 1.00 0.00 C ATOM 142 C MET A 11 1.469 -0.505 7.066 1.00 0.00 C ATOM 143 O MET A 11 0.465 0.159 7.341 1.00 0.00 O ATOM 144 CB MET A 11 3.831 0.289 7.306 1.00 0.00 C ATOM 145 CG MET A 11 5.144 0.627 6.600 1.00 0.00 C ATOM 146 SD MET A 11 6.335 1.403 7.719 1.00 0.00 S ATOM 147 CE MET A 11 5.703 3.109 7.682 1.00 0.00 C ATOM 0 H MET A 11 2.677 2.219 6.447 1.00 0.00 H new ATOM 0 HA MET A 11 2.917 -0.515 5.509 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.601 1.073 8.028 1.00 0.00 H new ATOM 0 HB3 MET A 11 3.956 -0.636 7.869 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.577 -0.283 6.184 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.944 1.296 5.763 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.752 3.537 8.683 1.00 0.00 H new ATOM 0 HE2 MET A 11 6.309 3.707 7.001 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.668 3.106 7.339 1.00 0.00 H new ATOM 157 N ASN A 12 1.618 -1.785 7.439 1.00 0.00 N ATOM 158 CA ASN A 12 0.728 -2.527 8.350 1.00 0.00 C ATOM 159 C ASN A 12 -0.673 -2.725 7.758 1.00 0.00 C ATOM 160 O ASN A 12 -1.654 -2.911 8.479 1.00 0.00 O ATOM 161 CB ASN A 12 0.611 -1.829 9.720 1.00 0.00 C ATOM 162 CG ASN A 12 1.921 -1.429 10.383 1.00 0.00 C ATOM 163 OD1 ASN A 12 2.981 -1.985 10.118 1.00 0.00 O ATOM 164 ND2 ASN A 12 1.888 -0.443 11.256 1.00 0.00 N ATOM 0 H ASN A 12 2.393 -2.356 7.101 1.00 0.00 H new ATOM 0 HA ASN A 12 1.185 -3.507 8.487 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.001 -0.934 9.598 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.072 -2.491 10.397 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.747 -0.139 11.715 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.004 0.017 11.473 1.00 0.00 H new ATOM 171 N MET A 13 -0.798 -2.571 6.443 1.00 0.00 N ATOM 172 CA MET A 13 -2.084 -2.420 5.789 1.00 0.00 C ATOM 173 C MET A 13 -2.705 -3.796 5.585 1.00 0.00 C ATOM 174 O MET A 13 -3.624 -4.190 6.301 1.00 0.00 O ATOM 175 CB MET A 13 -1.863 -1.648 4.482 1.00 0.00 C ATOM 176 CG MET A 13 -3.116 -0.889 4.064 1.00 0.00 C ATOM 177 SD MET A 13 -2.761 0.849 3.740 1.00 0.00 S ATOM 178 CE MET A 13 -2.297 1.282 5.433 1.00 0.00 C ATOM 0 H MET A 13 -0.004 -2.548 5.803 1.00 0.00 H new ATOM 0 HA MET A 13 -2.789 -1.850 6.394 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.037 -0.948 4.607 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.576 -2.342 3.692 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.539 -1.348 3.170 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.868 -0.967 4.849 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.714 2.257 5.687 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.686 0.531 6.120 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.211 1.320 5.514 1.00 0.00 H new ATOM 188 N VAL A 14 -2.104 -4.541 4.667 1.00 0.00 N ATOM 189 CA VAL A 14 -2.444 -5.867 4.176 1.00 0.00 C ATOM 190 C VAL A 14 -1.445 -6.852 4.808 1.00 0.00 C ATOM 191 O VAL A 14 -0.661 -6.435 5.674 1.00 0.00 O ATOM 192 CB VAL A 14 -2.414 -5.808 2.626 1.00 0.00 C ATOM 193 CG1 VAL A 14 -3.595 -4.981 2.097 1.00 0.00 C ATOM 194 CG2 VAL A 14 -1.117 -5.184 2.064 1.00 0.00 C ATOM 0 H VAL A 14 -1.271 -4.188 4.196 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.441 -6.209 4.453 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.473 -6.844 2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.559 -4.950 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.531 -5.439 2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.534 -3.967 2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.161 -5.173 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.014 -4.164 2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.260 -5.775 2.387 1.00 0.00 H new ATOM 204 N LEU A 15 -1.449 -8.138 4.444 1.00 0.00 N ATOM 205 CA LEU A 15 -0.403 -9.082 4.847 1.00 0.00 C ATOM 206 C LEU A 15 0.121 -9.760 3.586 1.00 0.00 C ATOM 207 O LEU A 15 -0.646 -9.943 2.635 1.00 0.00 O ATOM 208 CB LEU A 15 -0.917 -10.161 5.827 1.00 0.00 C ATOM 209 CG LEU A 15 -1.579 -9.621 7.111 1.00 0.00 C ATOM 210 CD1 LEU A 15 -2.187 -10.764 7.920 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.599 -8.870 8.027 1.00 0.00 C ATOM 0 H LEU A 15 -2.177 -8.553 3.862 1.00 0.00 H new ATOM 0 HA LEU A 15 0.378 -8.528 5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.637 -10.791 5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.080 -10.800 6.110 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.345 -8.922 6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.650 -10.365 8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.941 -11.273 7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.405 -11.471 8.196 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.127 -8.516 8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.205 -9.542 8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.179 -8.019 7.491 1.00 0.00 H new ATOM 223 N PRO A 16 1.378 -10.230 3.582 1.00 0.00 N ATOM 224 CA PRO A 16 1.917 -11.032 2.490 1.00 0.00 C ATOM 225 C PRO A 16 1.230 -12.400 2.371 1.00 0.00 C ATOM 226 O PRO A 16 1.541 -13.146 1.449 1.00 0.00 O ATOM 227 CB PRO A 16 3.408 -11.175 2.803 1.00 0.00 C ATOM 228 CG PRO A 16 3.475 -11.086 4.322 1.00 0.00 C ATOM 229 CD PRO A 16 2.370 -10.083 4.639 1.00 0.00 C ATOM 0 HA PRO A 16 1.744 -10.554 1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.803 -12.124 2.441 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.993 -10.386 2.331 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.295 -12.052 4.794 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.449 -10.740 4.666 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.931 -10.282 5.617 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.762 -9.066 4.667 1.00 0.00 H new ATOM 237 N GLU A 17 0.304 -12.745 3.268 1.00 0.00 N ATOM 238 CA GLU A 17 -0.307 -14.064 3.363 1.00 0.00 C ATOM 239 C GLU A 17 -1.806 -13.975 3.043 1.00 0.00 C ATOM 240 O GLU A 17 -2.540 -14.929 3.288 1.00 0.00 O ATOM 241 CB GLU A 17 -0.017 -14.717 4.742 1.00 0.00 C ATOM 242 CG GLU A 17 1.250 -14.228 5.479 1.00 0.00 C ATOM 243 CD GLU A 17 1.769 -15.192 6.564 1.00 0.00 C ATOM 244 OE1 GLU A 17 1.183 -15.227 7.676 1.00 0.00 O ATOM 245 OE2 GLU A 17 2.813 -15.857 6.368 1.00 0.00 O ATOM 0 H GLU A 17 -0.049 -12.092 3.967 1.00 0.00 H new ATOM 0 HA GLU A 17 0.142 -14.722 2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.877 -14.545 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.065 -15.795 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.041 -14.065 4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.038 -13.263 5.939 1.00 0.00 H new ATOM 252 N GLU A 18 -2.262 -12.829 2.513 1.00 0.00 N ATOM 253 CA GLU A 18 -3.662 -12.565 2.167 1.00 0.00 C ATOM 254 C GLU A 18 -3.817 -12.016 0.741 1.00 0.00 C ATOM 255 O GLU A 18 -4.891 -12.164 0.149 1.00 0.00 O ATOM 256 CB GLU A 18 -4.286 -11.575 3.169 1.00 0.00 C ATOM 257 CG GLU A 18 -4.161 -11.879 4.678 1.00 0.00 C ATOM 258 CD GLU A 18 -5.353 -12.604 5.317 1.00 0.00 C ATOM 259 OE1 GLU A 18 -5.837 -13.630 4.780 1.00 0.00 O ATOM 260 OE2 GLU A 18 -5.776 -12.193 6.426 1.00 0.00 O ATOM 0 H GLU A 18 -1.648 -12.041 2.309 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.185 -13.520 2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.841 -10.596 2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.347 -11.490 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.267 -12.483 4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.007 -10.938 5.207 1.00 0.00 H new ATOM 267 N LEU A 19 -2.759 -11.421 0.179 1.00 0.00 N ATOM 268 CA LEU A 19 -2.755 -10.726 -1.119 1.00 0.00 C ATOM 269 C LEU A 19 -2.671 -11.739 -2.267 1.00 0.00 C ATOM 270 O LEU A 19 -1.675 -11.830 -2.991 1.00 0.00 O ATOM 271 CB LEU A 19 -1.543 -9.787 -1.186 1.00 0.00 C ATOM 272 CG LEU A 19 -1.619 -8.516 -0.336 1.00 0.00 C ATOM 273 CD1 LEU A 19 -0.218 -7.891 -0.343 1.00 0.00 C ATOM 274 CD2 LEU A 19 -2.648 -7.526 -0.899 1.00 0.00 C ATOM 0 H LEU A 19 -1.845 -11.408 0.631 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.678 -10.155 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.659 -10.348 -0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.394 -9.495 -2.225 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.939 -8.759 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.224 -6.978 0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.497 -8.596 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.069 -7.654 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.677 -6.635 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.366 -7.246 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.633 -7.993 -0.911 1.00 0.00 H new ATOM 286 N LEU A 20 -3.671 -12.602 -2.355 1.00 0.00 N ATOM 287 CA LEU A 20 -3.572 -13.857 -3.085 1.00 0.00 C ATOM 288 C LEU A 20 -4.806 -14.060 -3.959 1.00 0.00 C ATOM 289 O LEU A 20 -4.740 -14.829 -4.915 1.00 0.00 O ATOM 290 CB LEU A 20 -3.337 -14.996 -2.081 1.00 0.00 C ATOM 291 CG LEU A 20 -2.025 -14.862 -1.275 1.00 0.00 C ATOM 292 CD1 LEU A 20 -2.114 -15.664 0.019 1.00 0.00 C ATOM 293 CD2 LEU A 20 -0.788 -15.244 -2.095 1.00 0.00 C ATOM 0 H LEU A 20 -4.581 -12.451 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.723 -13.843 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.176 -15.033 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.326 -15.944 -2.619 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.903 -13.809 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.183 -15.560 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.941 -15.291 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.281 -16.715 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.105 -15.131 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.875 -16.280 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.713 -14.593 -2.966 1.00 0.00 H new ATOM 305 N ASP A 21 -5.873 -13.288 -3.738 1.00 0.00 N ATOM 306 CA ASP A 21 -7.032 -13.201 -4.615 1.00 0.00 C ATOM 307 C ASP A 21 -7.124 -11.785 -5.151 1.00 0.00 C ATOM 308 O ASP A 21 -6.681 -10.828 -4.516 1.00 0.00 O ATOM 309 CB ASP A 21 -8.322 -13.612 -3.898 1.00 0.00 C ATOM 310 CG ASP A 21 -8.525 -15.114 -4.039 1.00 0.00 C ATOM 311 OD1 ASP A 21 -8.840 -15.563 -5.162 1.00 0.00 O ATOM 312 OD2 ASP A 21 -8.311 -15.841 -3.044 1.00 0.00 O ATOM 0 H ASP A 21 -5.952 -12.689 -2.916 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.909 -13.900 -5.442 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.268 -13.339 -2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.172 -13.078 -4.322 1.00 0.00 H new ATOM 317 N ASP A 22 -7.701 -11.672 -6.341 1.00 0.00 N ATOM 318 CA ASP A 22 -7.796 -10.445 -7.126 1.00 0.00 C ATOM 319 C ASP A 22 -9.053 -9.644 -6.777 1.00 0.00 C ATOM 320 O ASP A 22 -9.194 -8.487 -7.165 1.00 0.00 O ATOM 321 CB ASP A 22 -7.830 -10.872 -8.598 1.00 0.00 C ATOM 322 CG ASP A 22 -7.575 -9.714 -9.555 1.00 0.00 C ATOM 323 OD1 ASP A 22 -6.385 -9.394 -9.778 1.00 0.00 O ATOM 324 OD2 ASP A 22 -8.548 -9.234 -10.181 1.00 0.00 O ATOM 0 H ASP A 22 -8.135 -12.469 -6.807 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.947 -9.795 -6.914 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.081 -11.646 -8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.801 -11.314 -8.821 1.00 0.00 H new ATOM 329 N GLU A 23 -9.981 -10.276 -6.060 1.00 0.00 N ATOM 330 CA GLU A 23 -11.366 -9.848 -5.917 1.00 0.00 C ATOM 331 C GLU A 23 -11.473 -8.970 -4.680 1.00 0.00 C ATOM 332 O GLU A 23 -11.728 -7.775 -4.789 1.00 0.00 O ATOM 333 CB GLU A 23 -12.284 -11.087 -5.867 1.00 0.00 C ATOM 334 CG GLU A 23 -11.935 -12.073 -6.984 1.00 0.00 C ATOM 335 CD GLU A 23 -13.016 -13.099 -7.303 1.00 0.00 C ATOM 336 OE1 GLU A 23 -14.192 -12.711 -7.449 1.00 0.00 O ATOM 337 OE2 GLU A 23 -12.654 -14.247 -7.654 1.00 0.00 O ATOM 0 H GLU A 23 -9.778 -11.132 -5.544 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.692 -9.255 -6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.185 -11.578 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.325 -10.777 -5.962 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.714 -11.508 -7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.023 -12.603 -6.708 1.00 0.00 H new ATOM 344 N GLU A 24 -11.127 -9.545 -3.525 1.00 0.00 N ATOM 345 CA GLU A 24 -11.020 -8.864 -2.236 1.00 0.00 C ATOM 346 C GLU A 24 -10.108 -7.639 -2.356 1.00 0.00 C ATOM 347 O GLU A 24 -10.319 -6.595 -1.742 1.00 0.00 O ATOM 348 CB GLU A 24 -10.414 -9.882 -1.255 1.00 0.00 C ATOM 349 CG GLU A 24 -10.808 -9.663 0.205 1.00 0.00 C ATOM 350 CD GLU A 24 -10.227 -10.791 1.062 1.00 0.00 C ATOM 351 OE1 GLU A 24 -10.812 -11.910 1.071 1.00 0.00 O ATOM 352 OE2 GLU A 24 -9.163 -10.584 1.692 1.00 0.00 O ATOM 0 H GLU A 24 -10.905 -10.539 -3.462 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.994 -8.515 -1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.720 -10.884 -1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.328 -9.843 -1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.437 -8.699 0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.894 -9.640 0.301 1.00 0.00 H new ATOM 359 N TYR A 25 -9.074 -7.799 -3.180 1.00 0.00 N ATOM 360 CA TYR A 25 -8.070 -6.816 -3.493 1.00 0.00 C ATOM 361 C TYR A 25 -8.684 -5.570 -4.150 1.00 0.00 C ATOM 362 O TYR A 25 -8.197 -4.471 -3.879 1.00 0.00 O ATOM 363 CB TYR A 25 -7.029 -7.537 -4.365 1.00 0.00 C ATOM 364 CG TYR A 25 -5.931 -6.689 -4.959 1.00 0.00 C ATOM 365 CD1 TYR A 25 -6.245 -5.832 -6.030 1.00 0.00 C ATOM 366 CD2 TYR A 25 -4.605 -6.788 -4.487 1.00 0.00 C ATOM 367 CE1 TYR A 25 -5.264 -5.007 -6.589 1.00 0.00 C ATOM 368 CE2 TYR A 25 -3.606 -5.991 -5.081 1.00 0.00 C ATOM 369 CZ TYR A 25 -3.942 -5.068 -6.104 1.00 0.00 C ATOM 370 OH TYR A 25 -3.030 -4.190 -6.605 1.00 0.00 O ATOM 0 H TYR A 25 -8.916 -8.679 -3.672 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.587 -6.424 -2.598 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.566 -8.319 -3.763 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.555 -8.032 -5.182 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.251 -5.811 -6.423 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.359 -7.465 -3.682 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.518 -4.327 -7.388 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.580 -6.083 -4.756 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.150 -4.375 -6.216 1.00 0.00 H new ATOM 380 N GLU A 26 -9.709 -5.713 -5.002 1.00 0.00 N ATOM 381 CA GLU A 26 -10.340 -4.600 -5.718 1.00 0.00 C ATOM 382 C GLU A 26 -11.244 -3.815 -4.766 1.00 0.00 C ATOM 383 O GLU A 26 -11.228 -2.583 -4.776 1.00 0.00 O ATOM 384 CB GLU A 26 -11.112 -5.115 -6.963 1.00 0.00 C ATOM 385 CG GLU A 26 -10.514 -4.518 -8.251 1.00 0.00 C ATOM 386 CD GLU A 26 -11.169 -4.972 -9.571 1.00 0.00 C ATOM 387 OE1 GLU A 26 -12.377 -5.291 -9.632 1.00 0.00 O ATOM 388 OE2 GLU A 26 -10.478 -4.954 -10.620 1.00 0.00 O ATOM 0 H GLU A 26 -10.127 -6.619 -5.215 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.568 -3.922 -6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.065 -6.203 -7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.165 -4.844 -6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.580 -3.432 -8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.454 -4.771 -8.288 1.00 0.00 H new ATOM 395 N GLU A 27 -11.973 -4.520 -3.901 1.00 0.00 N ATOM 396 CA GLU A 27 -12.867 -3.911 -2.916 1.00 0.00 C ATOM 397 C GLU A 27 -12.099 -2.974 -1.972 1.00 0.00 C ATOM 398 O GLU A 27 -12.624 -1.952 -1.521 1.00 0.00 O ATOM 399 CB GLU A 27 -13.574 -4.995 -2.087 1.00 0.00 C ATOM 400 CG GLU A 27 -14.360 -6.027 -2.911 1.00 0.00 C ATOM 401 CD GLU A 27 -15.336 -6.818 -2.029 1.00 0.00 C ATOM 402 OE1 GLU A 27 -14.979 -7.199 -0.889 1.00 0.00 O ATOM 403 OE2 GLU A 27 -16.508 -7.023 -2.431 1.00 0.00 O ATOM 0 H GLU A 27 -11.960 -5.539 -3.864 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.608 -3.329 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.828 -5.520 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.258 -4.511 -1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.911 -5.520 -3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.666 -6.714 -3.395 1.00 0.00 H new ATOM 410 N ILE A 28 -10.853 -3.329 -1.650 1.00 0.00 N ATOM 411 CA ILE A 28 -10.007 -2.561 -0.746 1.00 0.00 C ATOM 412 C ILE A 28 -9.457 -1.302 -1.448 1.00 0.00 C ATOM 413 O ILE A 28 -9.129 -0.323 -0.770 1.00 0.00 O ATOM 414 CB ILE A 28 -8.908 -3.495 -0.180 1.00 0.00 C ATOM 415 CG1 ILE A 28 -9.519 -4.592 0.727 1.00 0.00 C ATOM 416 CG2 ILE A 28 -7.867 -2.702 0.626 1.00 0.00 C ATOM 417 CD1 ILE A 28 -8.576 -5.782 0.963 1.00 0.00 C ATOM 0 H ILE A 28 -10.402 -4.168 -2.016 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.585 -2.187 0.099 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.419 -3.965 -1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.785 -4.152 1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.443 -4.954 0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.108 -3.384 1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.395 -1.961 -0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.358 -2.198 1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.066 -6.513 1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.330 -6.246 0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.662 -5.432 1.443 1.00 0.00 H new ATOM 429 N VAL A 29 -9.347 -1.270 -2.782 1.00 0.00 N ATOM 430 CA VAL A 29 -8.957 -0.046 -3.482 1.00 0.00 C ATOM 431 C VAL A 29 -10.082 0.983 -3.317 1.00 0.00 C ATOM 432 O VAL A 29 -9.819 2.141 -2.986 1.00 0.00 O ATOM 433 CB VAL A 29 -8.609 -0.348 -4.959 1.00 0.00 C ATOM 434 CG1 VAL A 29 -8.386 0.921 -5.799 1.00 0.00 C ATOM 435 CG2 VAL A 29 -7.329 -1.200 -5.060 1.00 0.00 C ATOM 0 H VAL A 29 -9.521 -2.070 -3.390 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.049 0.376 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.472 -0.885 -5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.146 0.641 -6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.292 1.526 -5.791 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.562 1.496 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.106 -1.399 -6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.497 -0.661 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.478 -2.144 -4.536 1.00 0.00 H new ATOM 445 N GLU A 30 -11.331 0.574 -3.541 1.00 0.00 N ATOM 446 CA GLU A 30 -12.456 1.497 -3.648 1.00 0.00 C ATOM 447 C GLU A 30 -12.965 1.989 -2.290 1.00 0.00 C ATOM 448 O GLU A 30 -13.570 3.064 -2.230 1.00 0.00 O ATOM 449 CB GLU A 30 -13.575 0.817 -4.448 1.00 0.00 C ATOM 450 CG GLU A 30 -13.247 0.739 -5.951 1.00 0.00 C ATOM 451 CD GLU A 30 -13.824 1.906 -6.767 1.00 0.00 C ATOM 452 OE1 GLU A 30 -15.067 2.095 -6.761 1.00 0.00 O ATOM 453 OE2 GLU A 30 -13.073 2.588 -7.510 1.00 0.00 O ATOM 0 H GLU A 30 -11.589 -0.406 -3.653 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.112 2.391 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.738 -0.189 -4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.506 1.367 -4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.165 0.718 -6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.633 -0.199 -6.351 1.00 0.00 H new ATOM 460 N ASP A 31 -12.702 1.271 -1.195 1.00 0.00 N ATOM 461 CA ASP A 31 -12.961 1.808 0.150 1.00 0.00 C ATOM 462 C ASP A 31 -11.982 2.927 0.477 1.00 0.00 C ATOM 463 O ASP A 31 -12.344 3.999 0.966 1.00 0.00 O ATOM 464 CB ASP A 31 -12.824 0.746 1.249 1.00 0.00 C ATOM 465 CG ASP A 31 -13.247 1.345 2.603 1.00 0.00 C ATOM 466 OD1 ASP A 31 -14.375 1.874 2.733 1.00 0.00 O ATOM 467 OD2 ASP A 31 -12.463 1.270 3.581 1.00 0.00 O ATOM 0 H ASP A 31 -12.315 0.328 -1.208 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.988 2.172 0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.445 -0.118 1.013 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.794 0.394 1.302 1.00 0.00 H new ATOM 472 N VAL A 32 -10.708 2.654 0.217 1.00 0.00 N ATOM 473 CA VAL A 32 -9.624 3.511 0.656 1.00 0.00 C ATOM 474 C VAL A 32 -9.590 4.756 -0.222 1.00 0.00 C ATOM 475 O VAL A 32 -9.204 5.830 0.246 1.00 0.00 O ATOM 476 CB VAL A 32 -8.316 2.702 0.601 1.00 0.00 C ATOM 477 CG1 VAL A 32 -7.071 3.576 0.777 1.00 0.00 C ATOM 478 CG2 VAL A 32 -8.331 1.625 1.699 1.00 0.00 C ATOM 0 H VAL A 32 -10.403 1.832 -0.304 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.764 3.848 1.683 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.263 2.248 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.179 2.952 0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.035 4.322 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.112 4.077 1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.404 1.052 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.422 2.102 2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.178 0.957 1.542 1.00 0.00 H new ATOM 488 N ARG A 33 -9.990 4.645 -1.490 1.00 0.00 N ATOM 489 CA ARG A 33 -10.012 5.797 -2.374 1.00 0.00 C ATOM 490 C ARG A 33 -11.018 6.851 -1.888 1.00 0.00 C ATOM 491 O ARG A 33 -10.709 8.040 -1.998 1.00 0.00 O ATOM 492 CB ARG A 33 -10.162 5.308 -3.830 1.00 0.00 C ATOM 493 CG ARG A 33 -10.266 6.398 -4.911 1.00 0.00 C ATOM 494 CD ARG A 33 -10.123 5.764 -6.312 1.00 0.00 C ATOM 495 NE ARG A 33 -10.099 6.774 -7.390 1.00 0.00 N ATOM 496 CZ ARG A 33 -9.137 7.027 -8.296 1.00 0.00 C ATOM 497 NH1 ARG A 33 -8.011 6.328 -8.345 1.00 0.00 N ATOM 498 NH2 ARG A 33 -9.285 8.017 -9.168 1.00 0.00 N ATOM 0 H ARG A 33 -10.300 3.773 -1.919 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.067 6.340 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.308 4.673 -4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.052 4.682 -3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.224 6.912 -4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.489 7.147 -4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.206 5.176 -6.349 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.951 5.075 -6.482 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.929 7.363 -7.457 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.852 5.570 -7.681 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.304 6.549 -9.046 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.130 8.588 -9.152 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.554 8.206 -9.854 1.00 0.00 H new ATOM 512 N ASP A 34 -12.123 6.461 -1.245 1.00 0.00 N ATOM 513 CA ASP A 34 -13.013 7.404 -0.567 1.00 0.00 C ATOM 514 C ASP A 34 -12.329 8.000 0.665 1.00 0.00 C ATOM 515 O ASP A 34 -12.269 9.229 0.793 1.00 0.00 O ATOM 516 CB ASP A 34 -14.337 6.754 -0.151 1.00 0.00 C ATOM 517 CG ASP A 34 -15.124 7.707 0.762 1.00 0.00 C ATOM 518 OD1 ASP A 34 -15.543 8.799 0.318 1.00 0.00 O ATOM 519 OD2 ASP A 34 -15.369 7.375 1.945 1.00 0.00 O ATOM 0 H ASP A 34 -12.423 5.488 -1.181 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.236 8.196 -1.282 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.927 6.513 -1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.144 5.815 0.369 1.00 0.00 H new ATOM 524 N GLU A 35 -11.809 7.151 1.566 1.00 0.00 N ATOM 525 CA GLU A 35 -11.300 7.625 2.857 1.00 0.00 C ATOM 526 C GLU A 35 -10.128 8.577 2.663 1.00 0.00 C ATOM 527 O GLU A 35 -9.985 9.572 3.373 1.00 0.00 O ATOM 528 CB GLU A 35 -10.931 6.482 3.825 1.00 0.00 C ATOM 529 CG GLU A 35 -9.505 5.914 3.810 1.00 0.00 C ATOM 530 CD GLU A 35 -9.364 4.884 4.945 1.00 0.00 C ATOM 531 OE1 GLU A 35 -9.305 5.294 6.133 1.00 0.00 O ATOM 532 OE2 GLU A 35 -9.366 3.663 4.674 1.00 0.00 O ATOM 0 H GLU A 35 -11.732 6.144 1.424 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.119 8.168 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.133 6.832 4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.615 5.655 3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.297 5.445 2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.779 6.717 3.938 1.00 0.00 H new ATOM 539 N CYS A 36 -9.284 8.267 1.683 1.00 0.00 N ATOM 540 CA CYS A 36 -8.124 9.052 1.360 1.00 0.00 C ATOM 541 C CYS A 36 -8.576 10.374 0.727 1.00 0.00 C ATOM 542 O CYS A 36 -7.955 11.406 1.008 1.00 0.00 O ATOM 543 CB CYS A 36 -7.221 8.212 0.451 1.00 0.00 C ATOM 544 SG CYS A 36 -5.531 8.859 0.364 1.00 0.00 S ATOM 0 H CYS A 36 -9.400 7.447 1.088 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.544 9.315 2.245 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.195 7.186 0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.647 8.182 -0.552 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.568 10.141 0.152 1.00 0.00 H new ATOM 550 N SER A 37 -9.652 10.388 -0.074 1.00 0.00 N ATOM 551 CA SER A 37 -10.159 11.609 -0.699 1.00 0.00 C ATOM 552 C SER A 37 -10.693 12.615 0.345 1.00 0.00 C ATOM 553 O SER A 37 -10.803 13.810 0.056 1.00 0.00 O ATOM 554 CB SER A 37 -11.186 11.288 -1.792 1.00 0.00 C ATOM 555 OG SER A 37 -11.308 12.368 -2.702 1.00 0.00 O ATOM 0 H SER A 37 -10.191 9.553 -0.303 1.00 0.00 H new ATOM 0 HA SER A 37 -9.320 12.102 -1.189 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.884 10.388 -2.328 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.154 11.079 -1.337 1.00 0.00 H new ATOM 0 HG SER A 37 -10.615 13.035 -2.513 1.00 0.00 H new ATOM 561 N LYS A 38 -10.921 12.212 1.603 1.00 0.00 N ATOM 562 CA LYS A 38 -11.279 13.158 2.665 1.00 0.00 C ATOM 563 C LYS A 38 -10.236 14.269 2.848 1.00 0.00 C ATOM 564 O LYS A 38 -10.591 15.333 3.349 1.00 0.00 O ATOM 565 CB LYS A 38 -11.497 12.415 3.989 1.00 0.00 C ATOM 566 CG LYS A 38 -12.691 11.457 3.925 1.00 0.00 C ATOM 567 CD LYS A 38 -12.850 10.698 5.245 1.00 0.00 C ATOM 568 CE LYS A 38 -14.031 9.720 5.216 1.00 0.00 C ATOM 569 NZ LYS A 38 -15.338 10.405 5.163 1.00 0.00 N ATOM 0 H LYS A 38 -10.864 11.240 1.908 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.207 13.640 2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.597 11.855 4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.657 13.139 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.601 12.017 3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.552 10.749 3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.933 10.150 5.459 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.992 11.411 6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.934 9.065 4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.994 9.086 6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.101 9.699 5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.426 11.049 5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.409 10.950 4.280 1.00 0.00 H new ATOM 583 N TYR A 39 -8.999 14.081 2.381 1.00 0.00 N ATOM 584 CA TYR A 39 -7.876 14.992 2.595 1.00 0.00 C ATOM 585 C TYR A 39 -7.372 15.620 1.289 1.00 0.00 C ATOM 586 O TYR A 39 -6.384 16.353 1.317 1.00 0.00 O ATOM 587 CB TYR A 39 -6.753 14.235 3.324 1.00 0.00 C ATOM 588 CG TYR A 39 -7.199 13.572 4.618 1.00 0.00 C ATOM 589 CD1 TYR A 39 -7.911 12.359 4.593 1.00 0.00 C ATOM 590 CD2 TYR A 39 -6.981 14.215 5.848 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.452 11.829 5.773 1.00 0.00 C ATOM 592 CE2 TYR A 39 -7.489 13.672 7.041 1.00 0.00 C ATOM 593 CZ TYR A 39 -8.221 12.467 7.008 1.00 0.00 C ATOM 594 OH TYR A 39 -8.667 11.899 8.159 1.00 0.00 O ATOM 0 H TYR A 39 -8.745 13.264 1.826 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.218 15.823 3.212 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.349 13.473 2.657 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.942 14.930 3.543 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.042 11.833 3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.417 15.136 5.877 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.048 10.929 5.735 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.319 14.176 7.981 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.911 11.748 8.764 1.00 0.00 H new ATOM 604 N GLY A 40 -8.003 15.336 0.145 1.00 0.00 N ATOM 605 CA GLY A 40 -7.501 15.732 -1.163 1.00 0.00 C ATOM 606 C GLY A 40 -8.074 14.821 -2.235 1.00 0.00 C ATOM 607 O GLY A 40 -9.211 14.351 -2.110 1.00 0.00 O ATOM 0 H GLY A 40 -8.883 14.821 0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.774 16.767 -1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.412 15.682 -1.175 1.00 0.00 H new ATOM 611 N LEU A 41 -7.308 14.560 -3.290 1.00 0.00 N ATOM 612 CA LEU A 41 -7.675 13.581 -4.303 1.00 0.00 C ATOM 613 C LEU A 41 -6.527 12.606 -4.494 1.00 0.00 C ATOM 614 O LEU A 41 -5.415 13.010 -4.828 1.00 0.00 O ATOM 615 CB LEU A 41 -8.047 14.319 -5.585 1.00 0.00 C ATOM 616 CG LEU A 41 -8.842 13.543 -6.646 1.00 0.00 C ATOM 617 CD1 LEU A 41 -8.121 12.342 -7.245 1.00 0.00 C ATOM 618 CD2 LEU A 41 -10.174 13.038 -6.099 1.00 0.00 C ATOM 0 H LEU A 41 -6.416 15.022 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.543 12.997 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.626 15.201 -5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.126 14.674 -6.048 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.984 14.282 -7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.764 11.862 -7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.201 12.673 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.881 11.630 -6.455 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.706 12.495 -6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.992 12.374 -5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.777 13.885 -5.771 1.00 0.00 H new ATOM 630 N VAL A 42 -6.813 11.330 -4.262 1.00 0.00 N ATOM 631 CA VAL A 42 -5.899 10.207 -4.383 1.00 0.00 C ATOM 632 C VAL A 42 -5.936 9.693 -5.822 1.00 0.00 C ATOM 633 O VAL A 42 -6.918 9.121 -6.296 1.00 0.00 O ATOM 634 CB VAL A 42 -6.201 9.152 -3.305 1.00 0.00 C ATOM 635 CG1 VAL A 42 -7.693 8.827 -3.171 1.00 0.00 C ATOM 636 CG2 VAL A 42 -5.391 7.871 -3.525 1.00 0.00 C ATOM 0 H VAL A 42 -7.745 11.038 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.869 10.509 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.892 9.604 -2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.833 8.076 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.240 9.732 -2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.068 8.442 -4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.631 7.150 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.638 7.447 -4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.327 8.103 -3.489 1.00 0.00 H new ATOM 646 N LYS A 43 -4.842 9.947 -6.522 1.00 0.00 N ATOM 647 CA LYS A 43 -4.644 9.689 -7.931 1.00 0.00 C ATOM 648 C LYS A 43 -4.597 8.181 -8.185 1.00 0.00 C ATOM 649 O LYS A 43 -5.495 7.643 -8.833 1.00 0.00 O ATOM 650 CB LYS A 43 -3.366 10.442 -8.329 1.00 0.00 C ATOM 651 CG LYS A 43 -3.143 10.538 -9.841 1.00 0.00 C ATOM 652 CD LYS A 43 -2.324 11.803 -10.140 1.00 0.00 C ATOM 653 CE LYS A 43 -1.620 11.735 -11.496 1.00 0.00 C ATOM 654 NZ LYS A 43 -0.215 11.318 -11.335 1.00 0.00 N ATOM 0 H LYS A 43 -4.019 10.366 -6.089 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.465 10.047 -8.552 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.406 11.449 -7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.508 9.945 -7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.618 9.654 -10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.100 10.575 -10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.982 12.672 -10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.581 11.946 -9.355 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.141 11.032 -12.146 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.662 12.710 -11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.196 11.114 -12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.324 12.082 -10.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.172 10.463 -10.744 1.00 0.00 H new ATOM 668 N SER A 44 -3.593 7.496 -7.632 1.00 0.00 N ATOM 669 CA SER A 44 -3.379 6.067 -7.842 1.00 0.00 C ATOM 670 C SER A 44 -2.769 5.403 -6.615 1.00 0.00 C ATOM 671 O SER A 44 -2.156 6.083 -5.784 1.00 0.00 O ATOM 672 CB SER A 44 -2.479 5.848 -9.068 1.00 0.00 C ATOM 673 OG SER A 44 -3.187 6.118 -10.265 1.00 0.00 O ATOM 0 H SER A 44 -2.900 7.925 -7.019 1.00 0.00 H new ATOM 0 HA SER A 44 -4.350 5.604 -8.018 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.604 6.495 -9.003 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.115 4.821 -9.079 1.00 0.00 H new ATOM 0 HG SER A 44 -2.596 5.975 -11.034 1.00 0.00 H new ATOM 679 N ILE A 45 -2.931 4.078 -6.507 1.00 0.00 N ATOM 680 CA ILE A 45 -2.482 3.267 -5.386 1.00 0.00 C ATOM 681 C ILE A 45 -1.894 1.972 -5.964 1.00 0.00 C ATOM 682 O ILE A 45 -2.519 1.273 -6.764 1.00 0.00 O ATOM 683 CB ILE A 45 -3.637 2.951 -4.401 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.362 4.201 -3.874 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.059 2.232 -3.180 1.00 0.00 C ATOM 686 CD1 ILE A 45 -5.794 3.918 -3.389 1.00 0.00 C ATOM 0 H ILE A 45 -3.397 3.528 -7.229 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.733 3.814 -4.814 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.355 2.349 -4.958 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.786 4.627 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.395 4.952 -4.663 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.861 2.004 -2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.579 1.306 -3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.324 2.874 -2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.246 4.843 -3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.386 3.520 -4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.766 3.190 -2.578 1.00 0.00 H new ATOM 698 N GLU A 46 -0.704 1.630 -5.500 1.00 0.00 N ATOM 699 CA GLU A 46 0.071 0.437 -5.854 1.00 0.00 C ATOM 700 C GLU A 46 0.064 -0.503 -4.645 1.00 0.00 C ATOM 701 O GLU A 46 0.441 -0.119 -3.533 1.00 0.00 O ATOM 702 CB GLU A 46 1.493 0.845 -6.293 1.00 0.00 C ATOM 703 CG GLU A 46 2.546 -0.267 -6.503 1.00 0.00 C ATOM 704 CD GLU A 46 2.660 -0.912 -7.890 1.00 0.00 C ATOM 705 OE1 GLU A 46 2.359 -0.253 -8.910 1.00 0.00 O ATOM 706 OE2 GLU A 46 3.082 -2.093 -8.001 1.00 0.00 O ATOM 0 H GLU A 46 -0.215 2.212 -4.820 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.369 -0.090 -6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.405 1.400 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.885 1.537 -5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.522 0.147 -6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.339 -1.060 -5.784 1.00 0.00 H new ATOM 713 N ILE A 47 -0.399 -1.742 -4.849 1.00 0.00 N ATOM 714 CA ILE A 47 -0.518 -2.796 -3.844 1.00 0.00 C ATOM 715 C ILE A 47 0.160 -4.042 -4.442 1.00 0.00 C ATOM 716 O ILE A 47 -0.463 -4.861 -5.112 1.00 0.00 O ATOM 717 CB ILE A 47 -1.995 -3.046 -3.437 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.745 -1.720 -3.192 1.00 0.00 C ATOM 719 CG2 ILE A 47 -2.043 -3.980 -2.210 1.00 0.00 C ATOM 720 CD1 ILE A 47 -4.215 -1.883 -2.809 1.00 0.00 C ATOM 0 H ILE A 47 -0.716 -2.049 -5.769 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.027 -2.511 -2.913 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.512 -3.540 -4.260 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.236 -1.170 -2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.683 -1.111 -4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.081 -4.154 -1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.570 -4.930 -2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.512 -3.516 -1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.662 -0.901 -2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.744 -2.402 -3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.289 -2.463 -1.889 1.00 0.00 H new ATOM 732 N PRO A 48 1.484 -4.183 -4.308 1.00 0.00 N ATOM 733 CA PRO A 48 2.221 -5.239 -4.983 1.00 0.00 C ATOM 734 C PRO A 48 2.008 -6.573 -4.251 1.00 0.00 C ATOM 735 O PRO A 48 2.602 -6.822 -3.196 1.00 0.00 O ATOM 736 CB PRO A 48 3.669 -4.756 -4.974 1.00 0.00 C ATOM 737 CG PRO A 48 3.748 -4.011 -3.646 1.00 0.00 C ATOM 738 CD PRO A 48 2.385 -3.330 -3.555 1.00 0.00 C ATOM 0 HA PRO A 48 1.894 -5.427 -6.005 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.376 -5.585 -5.019 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.887 -4.105 -5.820 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.916 -4.691 -2.811 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.563 -3.287 -3.637 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.062 -3.233 -2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.418 -2.324 -3.974 1.00 0.00 H new ATOM 746 N ARG A 49 1.132 -7.427 -4.783 1.00 0.00 N ATOM 747 CA ARG A 49 0.939 -8.784 -4.270 1.00 0.00 C ATOM 748 C ARG A 49 2.239 -9.602 -4.378 1.00 0.00 C ATOM 749 O ARG A 49 3.026 -9.361 -5.307 1.00 0.00 O ATOM 750 CB ARG A 49 -0.242 -9.494 -4.971 1.00 0.00 C ATOM 751 CG ARG A 49 -0.267 -9.423 -6.505 1.00 0.00 C ATOM 752 CD ARG A 49 -1.073 -8.227 -7.029 1.00 0.00 C ATOM 753 NE ARG A 49 -0.377 -7.568 -8.138 1.00 0.00 N ATOM 754 CZ ARG A 49 -0.858 -6.554 -8.861 1.00 0.00 C ATOM 755 NH1 ARG A 49 -2.103 -6.124 -8.733 1.00 0.00 N ATOM 756 NH2 ARG A 49 -0.053 -5.956 -9.723 1.00 0.00 N ATOM 0 H ARG A 49 0.538 -7.198 -5.580 1.00 0.00 H new ATOM 0 HA ARG A 49 0.682 -8.708 -3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.233 -10.544 -4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.171 -9.066 -4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.755 -9.359 -6.878 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.694 -10.345 -6.900 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.055 -8.563 -7.360 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.236 -7.513 -6.222 1.00 0.00 H new ATOM 0 HE ARG A 49 0.553 -7.913 -8.377 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.731 -6.570 -8.064 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.435 -5.346 -9.303 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.912 -6.272 -9.824 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.397 -5.179 -10.287 1.00 0.00 H new ATOM 770 N PRO A 50 2.468 -10.575 -3.473 1.00 0.00 N ATOM 771 CA PRO A 50 3.588 -11.507 -3.556 1.00 0.00 C ATOM 772 C PRO A 50 3.470 -12.357 -4.821 1.00 0.00 C ATOM 773 O PRO A 50 2.429 -12.349 -5.483 1.00 0.00 O ATOM 774 CB PRO A 50 3.501 -12.364 -2.286 1.00 0.00 C ATOM 775 CG PRO A 50 2.001 -12.402 -2.017 1.00 0.00 C ATOM 776 CD PRO A 50 1.587 -10.983 -2.388 1.00 0.00 C ATOM 0 HA PRO A 50 4.550 -10.999 -3.617 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.911 -13.362 -2.441 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.051 -11.918 -1.457 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.494 -13.149 -2.627 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.777 -12.635 -0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.543 -10.951 -2.701 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.685 -10.313 -1.534 1.00 0.00 H new ATOM 784 N VAL A 51 4.514 -13.121 -5.146 1.00 0.00 N ATOM 785 CA VAL A 51 4.553 -13.923 -6.361 1.00 0.00 C ATOM 786 C VAL A 51 4.880 -15.358 -5.984 1.00 0.00 C ATOM 787 O VAL A 51 6.035 -15.686 -5.723 1.00 0.00 O ATOM 788 CB VAL A 51 5.516 -13.323 -7.401 1.00 0.00 C ATOM 789 CG1 VAL A 51 5.238 -13.985 -8.759 1.00 0.00 C ATOM 790 CG2 VAL A 51 5.352 -11.797 -7.524 1.00 0.00 C ATOM 0 H VAL A 51 5.354 -13.198 -4.572 1.00 0.00 H new ATOM 0 HA VAL A 51 3.578 -13.918 -6.848 1.00 0.00 H new ATOM 0 HB VAL A 51 6.539 -13.514 -7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.912 -13.572 -9.510 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.399 -15.060 -8.679 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.206 -13.793 -9.053 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.050 -11.415 -8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.332 -11.564 -7.830 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.557 -11.330 -6.561 1.00 0.00 H new ATOM 800 N ASP A 52 3.849 -16.201 -5.941 1.00 0.00 N ATOM 801 CA ASP A 52 3.916 -17.628 -5.638 1.00 0.00 C ATOM 802 C ASP A 52 4.741 -17.915 -4.376 1.00 0.00 C ATOM 803 O ASP A 52 5.610 -18.790 -4.342 1.00 0.00 O ATOM 804 CB ASP A 52 4.358 -18.382 -6.904 1.00 0.00 C ATOM 805 CG ASP A 52 3.684 -19.746 -7.095 1.00 0.00 C ATOM 806 OD1 ASP A 52 2.617 -20.018 -6.493 1.00 0.00 O ATOM 807 OD2 ASP A 52 4.103 -20.488 -8.012 1.00 0.00 O ATOM 0 H ASP A 52 2.896 -15.890 -6.126 1.00 0.00 H new ATOM 0 HA ASP A 52 2.929 -18.008 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.147 -17.761 -7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.438 -18.525 -6.869 1.00 0.00 H new ATOM 812 N GLY A 53 4.508 -17.101 -3.345 1.00 0.00 N ATOM 813 CA GLY A 53 5.161 -17.159 -2.046 1.00 0.00 C ATOM 814 C GLY A 53 6.384 -16.244 -1.918 1.00 0.00 C ATOM 815 O GLY A 53 6.866 -16.075 -0.800 1.00 0.00 O ATOM 0 H GLY A 53 3.823 -16.347 -3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.438 -16.891 -1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.468 -18.187 -1.851 1.00 0.00 H new ATOM 819 N VAL A 54 6.907 -15.657 -3.000 1.00 0.00 N ATOM 820 CA VAL A 54 8.065 -14.763 -2.913 1.00 0.00 C ATOM 821 C VAL A 54 7.604 -13.350 -2.553 1.00 0.00 C ATOM 822 O VAL A 54 6.594 -12.862 -3.074 1.00 0.00 O ATOM 823 CB VAL A 54 8.875 -14.749 -4.223 1.00 0.00 C ATOM 824 CG1 VAL A 54 10.189 -13.971 -4.042 1.00 0.00 C ATOM 825 CG2 VAL A 54 9.212 -16.167 -4.712 1.00 0.00 C ATOM 0 H VAL A 54 6.546 -15.785 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 54 8.723 -15.138 -2.129 1.00 0.00 H new ATOM 0 HB VAL A 54 8.247 -14.261 -4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.745 -13.974 -4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.967 -12.943 -3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.788 -14.444 -3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.783 -16.106 -5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.802 -16.682 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.289 -16.719 -4.891 1.00 0.00 H new ATOM 835 N GLU A 55 8.378 -12.678 -1.702 1.00 0.00 N ATOM 836 CA GLU A 55 8.305 -11.316 -1.320 1.00 0.00 C ATOM 837 C GLU A 55 8.744 -10.435 -2.483 1.00 0.00 C ATOM 838 O GLU A 55 9.828 -10.594 -3.052 1.00 0.00 O ATOM 839 CB GLU A 55 9.243 -11.203 -0.102 1.00 0.00 C ATOM 840 CG GLU A 55 9.421 -9.740 0.241 1.00 0.00 C ATOM 841 CD GLU A 55 9.778 -9.386 1.691 1.00 0.00 C ATOM 842 OE1 GLU A 55 9.300 -10.078 2.617 1.00 0.00 O ATOM 843 OE2 GLU A 55 10.503 -8.378 1.903 1.00 0.00 O ATOM 0 H GLU A 55 9.147 -13.150 -1.226 1.00 0.00 H new ATOM 0 HA GLU A 55 7.298 -10.987 -1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.825 -11.742 0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.208 -11.659 -0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.201 -9.337 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.497 -9.221 -0.013 1.00 0.00 H new ATOM 850 N VAL A 56 7.909 -9.453 -2.799 1.00 0.00 N ATOM 851 CA VAL A 56 8.309 -8.345 -3.639 1.00 0.00 C ATOM 852 C VAL A 56 9.304 -7.476 -2.860 1.00 0.00 C ATOM 853 O VAL A 56 9.090 -7.280 -1.660 1.00 0.00 O ATOM 854 CB VAL A 56 7.083 -7.582 -4.187 1.00 0.00 C ATOM 855 CG1 VAL A 56 5.796 -8.414 -4.277 1.00 0.00 C ATOM 856 CG2 VAL A 56 6.769 -6.143 -3.757 1.00 0.00 C ATOM 0 H VAL A 56 6.942 -9.407 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 56 8.822 -8.704 -4.532 1.00 0.00 H new ATOM 0 HB VAL A 56 7.510 -7.414 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.990 -7.796 -4.672 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.958 -9.265 -4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.525 -8.773 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.866 -5.801 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.616 -6.111 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.602 -5.493 -4.025 1.00 0.00 H new ATOM 866 N PRO A 57 10.313 -6.869 -3.513 1.00 0.00 N ATOM 867 CA PRO A 57 11.087 -5.799 -2.907 1.00 0.00 C ATOM 868 C PRO A 57 10.119 -4.655 -2.619 1.00 0.00 C ATOM 869 O PRO A 57 9.720 -3.941 -3.539 1.00 0.00 O ATOM 870 CB PRO A 57 12.187 -5.417 -3.906 1.00 0.00 C ATOM 871 CG PRO A 57 11.772 -6.048 -5.236 1.00 0.00 C ATOM 872 CD PRO A 57 10.630 -7.014 -4.924 1.00 0.00 C ATOM 0 HA PRO A 57 11.567 -6.079 -1.969 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.276 -4.334 -3.997 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.158 -5.790 -3.581 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.451 -5.284 -5.944 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.610 -6.574 -5.694 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.758 -6.789 -5.539 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.922 -8.040 -5.148 1.00 0.00 H new ATOM 880 N GLY A 58 9.666 -4.547 -1.372 1.00 0.00 N ATOM 881 CA GLY A 58 8.700 -3.550 -0.938 1.00 0.00 C ATOM 882 C GLY A 58 7.295 -4.093 -0.722 1.00 0.00 C ATOM 883 O GLY A 58 6.362 -3.297 -0.646 1.00 0.00 O ATOM 0 H GLY A 58 9.970 -5.166 -0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.051 -3.102 -0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.659 -2.753 -1.681 1.00 0.00 H new ATOM 887 N CYS A 59 7.107 -5.410 -0.612 1.00 0.00 N ATOM 888 CA CYS A 59 5.818 -6.031 -0.329 1.00 0.00 C ATOM 889 C CYS A 59 5.422 -5.784 1.140 1.00 0.00 C ATOM 890 O CYS A 59 6.295 -5.653 2.004 1.00 0.00 O ATOM 891 CB CYS A 59 5.918 -7.515 -0.698 1.00 0.00 C ATOM 892 SG CYS A 59 4.263 -8.261 -0.800 1.00 0.00 S ATOM 0 H CYS A 59 7.864 -6.085 -0.720 1.00 0.00 H new ATOM 0 HA CYS A 59 5.020 -5.590 -0.926 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.432 -7.624 -1.653 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.515 -8.041 0.047 1.00 0.00 H new ATOM 0 HG CYS A 59 3.588 -7.691 -1.754 1.00 0.00 H new ATOM 898 N GLY A 60 4.119 -5.685 1.434 1.00 0.00 N ATOM 899 CA GLY A 60 3.587 -5.476 2.781 1.00 0.00 C ATOM 900 C GLY A 60 3.026 -4.089 3.084 1.00 0.00 C ATOM 901 O GLY A 60 2.425 -3.907 4.144 1.00 0.00 O ATOM 0 H GLY A 60 3.391 -5.750 0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.798 -6.208 2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.381 -5.687 3.498 1.00 0.00 H new ATOM 905 N LYS A 61 3.250 -3.103 2.214 1.00 0.00 N ATOM 906 CA LYS A 61 2.974 -1.687 2.460 1.00 0.00 C ATOM 907 C LYS A 61 2.352 -1.062 1.216 1.00 0.00 C ATOM 908 O LYS A 61 2.807 -1.337 0.110 1.00 0.00 O ATOM 909 CB LYS A 61 4.205 -0.924 2.964 1.00 0.00 C ATOM 910 CG LYS A 61 5.531 -1.154 2.253 1.00 0.00 C ATOM 911 CD LYS A 61 6.154 -2.525 2.528 1.00 0.00 C ATOM 912 CE LYS A 61 7.643 -2.323 2.380 1.00 0.00 C ATOM 913 NZ LYS A 61 8.478 -3.495 2.723 1.00 0.00 N ATOM 0 H LYS A 61 3.642 -3.274 1.288 1.00 0.00 H new ATOM 0 HA LYS A 61 2.251 -1.612 3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.980 0.141 2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.343 -1.172 4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.380 -1.044 1.179 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.234 -0.379 2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.902 -2.878 3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.787 -3.272 1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.853 -2.037 1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.944 -1.486 3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.340 -3.489 2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.739 -3.453 3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.943 -4.368 2.540 1.00 0.00 H new ATOM 927 N ILE A 62 1.294 -0.274 1.355 1.00 0.00 N ATOM 928 CA ILE A 62 0.592 0.300 0.209 1.00 0.00 C ATOM 929 C ILE A 62 1.270 1.620 -0.144 1.00 0.00 C ATOM 930 O ILE A 62 1.602 2.403 0.745 1.00 0.00 O ATOM 931 CB ILE A 62 -0.906 0.435 0.537 1.00 0.00 C ATOM 932 CG1 ILE A 62 -1.472 -0.998 0.692 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.625 1.208 -0.568 1.00 0.00 C ATOM 934 CD1 ILE A 62 -2.988 -1.147 0.562 1.00 0.00 C ATOM 0 H ILE A 62 0.898 -0.014 2.259 1.00 0.00 H new ATOM 0 HA ILE A 62 0.647 -0.343 -0.670 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.057 0.995 1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.001 -1.635 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.174 -1.380 1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.683 1.295 -0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.190 2.203 -0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.515 0.677 -1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.263 -2.194 0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.480 -0.547 1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.304 -0.806 -0.424 1.00 0.00 H new ATOM 946 N PHE A 63 1.477 1.880 -1.432 1.00 0.00 N ATOM 947 CA PHE A 63 2.058 3.119 -1.945 1.00 0.00 C ATOM 948 C PHE A 63 0.935 3.895 -2.636 1.00 0.00 C ATOM 949 O PHE A 63 0.185 3.316 -3.420 1.00 0.00 O ATOM 950 CB PHE A 63 3.203 2.765 -2.904 1.00 0.00 C ATOM 951 CG PHE A 63 4.336 1.983 -2.275 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.154 0.619 -2.010 1.00 0.00 C ATOM 953 CD2 PHE A 63 5.560 2.596 -1.946 1.00 0.00 C ATOM 954 CE1 PHE A 63 5.159 -0.121 -1.382 1.00 0.00 C ATOM 955 CE2 PHE A 63 6.579 1.844 -1.326 1.00 0.00 C ATOM 956 CZ PHE A 63 6.368 0.487 -1.021 1.00 0.00 C ATOM 0 H PHE A 63 1.239 1.216 -2.169 1.00 0.00 H new ATOM 0 HA PHE A 63 2.478 3.741 -1.155 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.798 2.187 -3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.605 3.687 -3.324 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.230 0.136 -2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.718 3.641 -2.168 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.003 -1.169 -1.173 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.523 2.310 -1.085 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.132 -0.082 -0.512 1.00 0.00 H new ATOM 966 N VAL A 64 0.763 5.179 -2.332 1.00 0.00 N ATOM 967 CA VAL A 64 -0.376 6.003 -2.742 1.00 0.00 C ATOM 968 C VAL A 64 0.176 7.294 -3.382 1.00 0.00 C ATOM 969 O VAL A 64 1.328 7.675 -3.129 1.00 0.00 O ATOM 970 CB VAL A 64 -1.241 6.253 -1.480 1.00 0.00 C ATOM 971 CG1 VAL A 64 -2.460 7.158 -1.683 1.00 0.00 C ATOM 972 CG2 VAL A 64 -1.741 4.986 -0.774 1.00 0.00 C ATOM 0 H VAL A 64 1.439 5.697 -1.771 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.011 5.525 -3.488 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.512 6.765 -0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.994 7.266 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.132 8.138 -2.029 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.123 6.714 -2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.336 5.265 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.355 4.404 -1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.888 4.387 -0.454 1.00 0.00 H new ATOM 982 N GLU A 65 -0.629 8.002 -4.180 1.00 0.00 N ATOM 983 CA GLU A 65 -0.293 9.257 -4.878 1.00 0.00 C ATOM 984 C GLU A 65 -1.476 10.236 -4.792 1.00 0.00 C ATOM 985 O GLU A 65 -2.614 9.766 -4.881 1.00 0.00 O ATOM 986 CB GLU A 65 0.016 8.881 -6.334 1.00 0.00 C ATOM 987 CG GLU A 65 0.757 9.964 -7.127 1.00 0.00 C ATOM 988 CD GLU A 65 0.883 9.612 -8.611 1.00 0.00 C ATOM 989 OE1 GLU A 65 -0.154 9.489 -9.296 1.00 0.00 O ATOM 990 OE2 GLU A 65 2.019 9.494 -9.125 1.00 0.00 O ATOM 0 H GLU A 65 -1.585 7.703 -4.370 1.00 0.00 H new ATOM 0 HA GLU A 65 0.566 9.753 -4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.614 7.970 -6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.920 8.652 -6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.229 10.912 -7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.751 10.105 -6.703 1.00 0.00 H new ATOM 997 N PHE A 66 -1.247 11.554 -4.654 1.00 0.00 N ATOM 998 CA PHE A 66 -2.321 12.572 -4.700 1.00 0.00 C ATOM 999 C PHE A 66 -2.251 13.436 -5.972 1.00 0.00 C ATOM 1000 O PHE A 66 -1.543 13.092 -6.916 1.00 0.00 O ATOM 1001 CB PHE A 66 -2.340 13.452 -3.441 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.600 12.736 -2.133 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -1.569 12.012 -1.521 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -3.847 12.839 -1.492 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -1.783 11.336 -0.313 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -4.052 12.197 -0.258 1.00 0.00 C ATOM 1007 CZ PHE A 66 -3.038 11.406 0.306 1.00 0.00 C ATOM 0 H PHE A 66 -0.317 11.946 -4.508 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.260 12.019 -4.730 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.381 13.965 -3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.103 14.219 -3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.595 11.974 -1.987 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.644 13.409 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.986 10.764 0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.993 12.313 0.258 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.225 10.853 1.215 1.00 0.00 H new ATOM 1017 N THR A 67 -3.027 14.529 -6.023 1.00 0.00 N ATOM 1018 CA THR A 67 -3.028 15.494 -7.123 1.00 0.00 C ATOM 1019 C THR A 67 -2.094 16.698 -6.894 1.00 0.00 C ATOM 1020 O THR A 67 -1.835 17.443 -7.847 1.00 0.00 O ATOM 1021 CB THR A 67 -4.463 15.983 -7.410 1.00 0.00 C ATOM 1022 OG1 THR A 67 -5.049 16.653 -6.298 1.00 0.00 O ATOM 1023 CG2 THR A 67 -5.387 14.858 -7.888 1.00 0.00 C ATOM 0 H THR A 67 -3.685 14.768 -5.281 1.00 0.00 H new ATOM 0 HA THR A 67 -2.636 14.962 -7.990 1.00 0.00 H new ATOM 0 HB THR A 67 -4.358 16.703 -8.222 1.00 0.00 H new ATOM 0 HG1 THR A 67 -5.955 16.944 -6.532 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.383 15.260 -8.074 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.991 14.428 -8.808 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.445 14.085 -7.122 1.00 0.00 H new ATOM 1031 N SER A 68 -1.641 16.918 -5.655 1.00 0.00 N ATOM 1032 CA SER A 68 -0.812 18.049 -5.253 1.00 0.00 C ATOM 1033 C SER A 68 -0.024 17.657 -4.005 1.00 0.00 C ATOM 1034 O SER A 68 -0.580 17.014 -3.116 1.00 0.00 O ATOM 1035 CB SER A 68 -1.727 19.233 -4.899 1.00 0.00 C ATOM 1036 OG SER A 68 -2.475 19.718 -5.997 1.00 0.00 O ATOM 0 H SER A 68 -1.852 16.288 -4.881 1.00 0.00 H new ATOM 0 HA SER A 68 -0.134 18.323 -6.061 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.413 18.928 -4.109 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.119 20.044 -4.497 1.00 0.00 H new ATOM 0 HG SER A 68 -3.036 20.467 -5.705 1.00 0.00 H new ATOM 1042 N VAL A 69 1.212 18.141 -3.846 1.00 0.00 N ATOM 1043 CA VAL A 69 2.023 17.936 -2.633 1.00 0.00 C ATOM 1044 C VAL A 69 1.290 18.482 -1.395 1.00 0.00 C ATOM 1045 O VAL A 69 1.382 17.949 -0.288 1.00 0.00 O ATOM 1046 CB VAL A 69 3.402 18.613 -2.812 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.309 18.361 -1.598 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.130 18.096 -4.063 1.00 0.00 C ATOM 0 H VAL A 69 1.686 18.692 -4.561 1.00 0.00 H new ATOM 0 HA VAL A 69 2.178 16.868 -2.479 1.00 0.00 H new ATOM 0 HB VAL A 69 3.206 19.680 -2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.271 18.850 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.838 18.765 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.463 17.289 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.095 18.595 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.285 17.021 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.528 18.305 -4.947 1.00 0.00 H new ATOM 1058 N PHE A 70 0.511 19.543 -1.592 1.00 0.00 N ATOM 1059 CA PHE A 70 -0.345 20.135 -0.580 1.00 0.00 C ATOM 1060 C PHE A 70 -1.343 19.130 -0.004 1.00 0.00 C ATOM 1061 O PHE A 70 -1.587 19.203 1.197 1.00 0.00 O ATOM 1062 CB PHE A 70 -1.066 21.328 -1.223 1.00 0.00 C ATOM 1063 CG PHE A 70 -0.268 22.612 -1.171 1.00 0.00 C ATOM 1064 CD1 PHE A 70 -0.298 23.421 -0.018 1.00 0.00 C ATOM 1065 CD2 PHE A 70 0.525 22.990 -2.267 1.00 0.00 C ATOM 1066 CE1 PHE A 70 0.420 24.628 0.018 1.00 0.00 C ATOM 1067 CE2 PHE A 70 1.265 24.180 -2.214 1.00 0.00 C ATOM 1068 CZ PHE A 70 1.204 25.010 -1.082 1.00 0.00 C ATOM 0 H PHE A 70 0.460 20.025 -2.489 1.00 0.00 H new ATOM 0 HA PHE A 70 0.263 20.463 0.263 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.290 21.090 -2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.020 21.481 -0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.875 23.112 0.841 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.565 22.366 -3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.369 25.261 0.891 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.887 24.461 -3.051 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.757 25.937 -1.058 1.00 0.00 H new ATOM 1078 N ASP A 71 -1.892 18.204 -0.795 1.00 0.00 N ATOM 1079 CA ASP A 71 -2.858 17.203 -0.314 1.00 0.00 C ATOM 1080 C ASP A 71 -2.215 16.272 0.705 1.00 0.00 C ATOM 1081 O ASP A 71 -2.806 15.897 1.716 1.00 0.00 O ATOM 1082 CB ASP A 71 -3.485 16.408 -1.465 1.00 0.00 C ATOM 1083 CG ASP A 71 -4.557 17.169 -2.252 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -4.884 18.326 -1.877 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -5.068 16.561 -3.226 1.00 0.00 O ATOM 0 H ASP A 71 -1.681 18.124 -1.790 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.665 17.745 0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.695 16.103 -2.152 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.926 15.496 -1.062 1.00 0.00 H new ATOM 1090 N CYS A 72 -0.955 15.958 0.466 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.184 14.919 1.071 1.00 0.00 C ATOM 1092 C CYS A 72 0.236 15.354 2.468 1.00 0.00 C ATOM 1093 O CYS A 72 0.239 14.562 3.404 1.00 0.00 O ATOM 1094 CB CYS A 72 1.003 14.752 0.125 1.00 0.00 C ATOM 1095 SG CYS A 72 0.440 14.553 -1.576 1.00 0.00 S ATOM 0 H CYS A 72 -0.408 16.478 -0.220 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.719 13.978 1.202 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.657 15.621 0.197 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.592 13.884 0.422 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.572 13.738 -1.605 1.00 0.00 H new ATOM 1101 N GLN A 73 0.535 16.646 2.615 1.00 0.00 N ATOM 1102 CA GLN A 73 0.775 17.308 3.882 1.00 0.00 C ATOM 1103 C GLN A 73 -0.447 17.180 4.808 1.00 0.00 C ATOM 1104 O GLN A 73 -0.283 16.922 6.000 1.00 0.00 O ATOM 1105 CB GLN A 73 1.183 18.768 3.573 1.00 0.00 C ATOM 1106 CG GLN A 73 2.709 18.898 3.674 1.00 0.00 C ATOM 1107 CD GLN A 73 3.209 20.314 3.421 1.00 0.00 C ATOM 1108 OE1 GLN A 73 3.463 21.072 4.356 1.00 0.00 O ATOM 1109 NE2 GLN A 73 3.395 20.678 2.164 1.00 0.00 N ATOM 0 H GLN A 73 0.618 17.278 1.818 1.00 0.00 H new ATOM 0 HA GLN A 73 1.588 16.836 4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.848 19.048 2.575 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.701 19.449 4.274 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.029 18.578 4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.173 18.222 2.956 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.176 20.030 1.408 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.757 21.607 1.950 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.667 17.305 4.274 1.00 0.00 N ATOM 1119 CA LYS A 74 -2.901 17.173 5.045 1.00 0.00 C ATOM 1120 C LYS A 74 -3.112 15.708 5.405 1.00 0.00 C ATOM 1121 O LYS A 74 -3.417 15.386 6.556 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.103 17.724 4.246 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.854 19.147 3.718 1.00 0.00 C ATOM 1124 CD LYS A 74 -5.029 19.728 2.905 1.00 0.00 C ATOM 1125 CE LYS A 74 -4.898 19.184 1.481 1.00 0.00 C ATOM 1126 NZ LYS A 74 -5.755 19.803 0.455 1.00 0.00 N ATOM 0 H LYS A 74 -1.823 17.502 3.286 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.819 17.757 5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.313 17.060 3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.988 17.725 4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.648 19.806 4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.961 19.141 3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.983 19.436 3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.998 20.818 2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.860 19.294 1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.112 18.115 1.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.552 19.375 -0.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.754 19.647 0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.564 20.825 0.414 1.00 0.00 H new ATOM 1140 N ALA A 75 -2.984 14.821 4.421 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.250 13.400 4.567 1.00 0.00 C ATOM 1142 C ALA A 75 -2.297 12.720 5.548 1.00 0.00 C ATOM 1143 O ALA A 75 -2.708 11.798 6.253 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.110 12.748 3.201 1.00 0.00 C ATOM 0 H ALA A 75 -2.686 15.080 3.481 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.257 13.284 4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.306 11.679 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.825 13.194 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.098 12.903 2.826 1.00 0.00 H new ATOM 1150 N MET A 76 -1.032 13.145 5.583 1.00 0.00 N ATOM 1151 CA MET A 76 0.019 12.595 6.424 1.00 0.00 C ATOM 1152 C MET A 76 -0.435 12.629 7.880 1.00 0.00 C ATOM 1153 O MET A 76 -0.725 11.596 8.490 1.00 0.00 O ATOM 1154 CB MET A 76 1.302 13.420 6.171 1.00 0.00 C ATOM 1155 CG MET A 76 2.440 13.177 7.165 1.00 0.00 C ATOM 1156 SD MET A 76 3.071 11.483 7.211 1.00 0.00 S ATOM 1157 CE MET A 76 4.082 11.506 5.710 1.00 0.00 C ATOM 0 H MET A 76 -0.704 13.915 4.999 1.00 0.00 H new ATOM 0 HA MET A 76 0.232 11.553 6.187 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.665 13.199 5.167 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.044 14.479 6.191 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.264 13.848 6.922 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.094 13.446 8.163 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.864 10.622 5.111 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.854 12.401 5.131 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.137 11.509 5.982 1.00 0.00 H new ATOM 1167 N GLN A 77 -0.548 13.837 8.434 1.00 0.00 N ATOM 1168 CA GLN A 77 -0.957 14.002 9.821 1.00 0.00 C ATOM 1169 C GLN A 77 -2.418 13.586 10.026 1.00 0.00 C ATOM 1170 O GLN A 77 -2.789 13.205 11.137 1.00 0.00 O ATOM 1171 CB GLN A 77 -0.743 15.456 10.269 1.00 0.00 C ATOM 1172 CG GLN A 77 0.731 15.884 10.207 1.00 0.00 C ATOM 1173 CD GLN A 77 0.989 17.133 11.050 1.00 0.00 C ATOM 1174 OE1 GLN A 77 0.763 17.120 12.255 1.00 0.00 O ATOM 1175 NE2 GLN A 77 1.517 18.205 10.477 1.00 0.00 N ATOM 0 H GLN A 77 -0.362 14.711 7.941 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.337 13.349 10.435 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.336 16.118 9.638 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.109 15.575 11.289 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.363 15.069 10.560 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.011 16.079 9.172 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.702 18.208 9.474 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.738 19.027 11.039 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.246 13.637 8.979 1.00 0.00 N ATOM 1185 CA GLY A 78 -4.678 13.412 9.070 1.00 0.00 C ATOM 1186 C GLY A 78 -5.078 11.945 9.175 1.00 0.00 C ATOM 1187 O GLY A 78 -6.222 11.664 9.542 1.00 0.00 O ATOM 0 H GLY A 78 -2.928 13.840 8.031 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.063 13.944 9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.158 13.845 8.193 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.168 11.017 8.863 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.420 9.576 8.849 1.00 0.00 C ATOM 1193 C LEU A 79 -3.357 8.800 9.645 1.00 0.00 C ATOM 1194 O LEU A 79 -3.353 7.568 9.660 1.00 0.00 O ATOM 1195 CB LEU A 79 -4.526 9.091 7.390 1.00 0.00 C ATOM 1196 CG LEU A 79 -5.768 9.599 6.620 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -5.626 9.235 5.144 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.085 8.982 7.109 1.00 0.00 C ATOM 0 H LEU A 79 -3.210 11.256 8.606 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.368 9.378 9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.631 9.405 6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.535 8.001 7.385 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.810 10.675 6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.499 9.591 4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.728 9.702 4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.550 8.152 5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.914 9.383 6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.047 7.899 6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.232 9.225 8.161 1.00 0.00 H new ATOM 1210 N THR A 80 -2.456 9.496 10.340 1.00 0.00 N ATOM 1211 CA THR A 80 -1.494 8.896 11.253 1.00 0.00 C ATOM 1212 C THR A 80 -2.248 8.075 12.317 1.00 0.00 C ATOM 1213 O THR A 80 -2.970 8.651 13.129 1.00 0.00 O ATOM 1214 CB THR A 80 -0.645 10.032 11.846 1.00 0.00 C ATOM 1215 OG1 THR A 80 0.209 10.542 10.840 1.00 0.00 O ATOM 1216 CG2 THR A 80 0.233 9.606 13.026 1.00 0.00 C ATOM 0 H THR A 80 -2.377 10.511 10.280 1.00 0.00 H new ATOM 0 HA THR A 80 -0.822 8.201 10.749 1.00 0.00 H new ATOM 0 HB THR A 80 -1.352 10.775 12.215 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.328 10.852 10.081 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.800 10.464 13.386 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.397 9.224 13.829 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.922 8.826 12.704 1.00 0.00 H new ATOM 1224 N GLY A 81 -2.086 6.745 12.315 1.00 0.00 N ATOM 1225 CA GLY A 81 -2.660 5.832 13.307 1.00 0.00 C ATOM 1226 C GLY A 81 -3.967 5.176 12.853 1.00 0.00 C ATOM 1227 O GLY A 81 -4.587 4.470 13.650 1.00 0.00 O ATOM 0 H GLY A 81 -1.537 6.263 11.603 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.933 5.053 13.535 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.841 6.380 14.232 1.00 0.00 H new ATOM 1231 N ARG A 82 -4.389 5.380 11.600 1.00 0.00 N ATOM 1232 CA ARG A 82 -5.606 4.805 11.019 1.00 0.00 C ATOM 1233 C ARG A 82 -5.601 3.285 10.972 1.00 0.00 C ATOM 1234 O ARG A 82 -4.612 2.652 11.333 1.00 0.00 O ATOM 1235 CB ARG A 82 -5.757 5.376 9.604 1.00 0.00 C ATOM 1236 CG ARG A 82 -6.415 6.745 9.673 1.00 0.00 C ATOM 1237 CD ARG A 82 -7.940 6.655 9.820 1.00 0.00 C ATOM 1238 NE ARG A 82 -8.404 7.475 10.938 1.00 0.00 N ATOM 1239 CZ ARG A 82 -9.661 7.660 11.329 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -10.682 7.151 10.646 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -9.886 8.357 12.432 1.00 0.00 N ATOM 0 H ARG A 82 -3.877 5.968 10.943 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.448 5.074 11.657 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.780 5.455 9.127 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.358 4.703 8.992 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.004 7.301 10.516 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.172 7.308 8.771 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.419 6.985 8.898 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.234 5.617 9.978 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.685 7.958 11.477 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.509 6.605 9.802 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.638 7.307 10.966 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.103 8.739 12.962 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.842 8.512 12.751 1.00 0.00 H new ATOM 1255 N LYS A 83 -6.688 2.699 10.468 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.856 1.280 10.215 1.00 0.00 C ATOM 1257 C LYS A 83 -7.395 1.105 8.797 1.00 0.00 C ATOM 1258 O LYS A 83 -8.603 1.079 8.592 1.00 0.00 O ATOM 1259 CB LYS A 83 -7.821 0.703 11.255 1.00 0.00 C ATOM 1260 CG LYS A 83 -7.244 0.711 12.672 1.00 0.00 C ATOM 1261 CD LYS A 83 -8.242 0.069 13.642 1.00 0.00 C ATOM 1262 CE LYS A 83 -7.548 -0.353 14.938 1.00 0.00 C ATOM 1263 NZ LYS A 83 -8.278 -1.448 15.616 1.00 0.00 N ATOM 0 H LYS A 83 -7.516 3.237 10.214 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.908 0.748 10.297 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.747 1.278 11.242 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.077 -0.320 10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.300 0.166 12.693 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.029 1.734 12.981 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.042 0.774 13.866 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.704 -0.799 13.173 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.530 -0.675 14.718 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.473 0.504 15.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.779 -1.708 16.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.241 -1.132 15.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.327 -2.274 14.986 1.00 0.00 H new ATOM 1277 N PHE A 84 -6.526 0.964 7.795 1.00 0.00 N ATOM 1278 CA PHE A 84 -6.945 0.836 6.380 1.00 0.00 C ATOM 1279 C PHE A 84 -7.475 -0.575 6.045 1.00 0.00 C ATOM 1280 O PHE A 84 -7.585 -0.961 4.881 1.00 0.00 O ATOM 1281 CB PHE A 84 -5.784 1.271 5.468 1.00 0.00 C ATOM 1282 CG PHE A 84 -5.741 2.744 5.071 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -6.198 3.759 5.934 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.267 3.102 3.793 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -6.246 5.093 5.496 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -5.268 4.442 3.370 1.00 0.00 C ATOM 1287 CZ PHE A 84 -5.813 5.429 4.202 1.00 0.00 C ATOM 0 H PHE A 84 -5.515 0.934 7.930 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.791 1.500 6.202 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.847 1.026 5.969 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.824 0.674 4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.513 3.511 6.937 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.897 2.335 3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.617 5.863 6.156 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.852 4.709 2.410 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.900 6.446 3.849 1.00 0.00 H new ATOM 1297 N ALA A 85 -7.769 -1.359 7.076 1.00 0.00 N ATOM 1298 CA ALA A 85 -8.577 -2.564 7.080 1.00 0.00 C ATOM 1299 C ALA A 85 -8.985 -2.766 8.531 1.00 0.00 C ATOM 1300 O ALA A 85 -10.154 -2.622 8.895 1.00 0.00 O ATOM 1301 CB ALA A 85 -7.812 -3.766 6.532 1.00 0.00 C ATOM 0 H ALA A 85 -7.416 -1.146 8.009 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.445 -2.465 6.429 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.454 -4.646 6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.505 -3.565 5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.929 -3.946 7.146 1.00 0.00 H new ATOM 1307 N ASN A 86 -7.991 -3.013 9.392 1.00 0.00 N ATOM 1308 CA ASN A 86 -8.207 -3.108 10.836 1.00 0.00 C ATOM 1309 C ASN A 86 -6.965 -2.810 11.681 1.00 0.00 C ATOM 1310 O ASN A 86 -7.072 -2.687 12.898 1.00 0.00 O ATOM 1311 CB ASN A 86 -8.749 -4.501 11.195 1.00 0.00 C ATOM 1312 CG ASN A 86 -9.981 -4.380 12.085 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -9.942 -3.780 13.155 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -11.087 -4.967 11.665 1.00 0.00 N ATOM 0 H ASN A 86 -7.021 -3.151 9.108 1.00 0.00 H new ATOM 0 HA ASN A 86 -8.934 -2.332 11.078 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -9.002 -5.045 10.285 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -7.978 -5.077 11.707 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -11.933 -4.927 12.234 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -11.095 -5.460 10.772 1.00 0.00 H new ATOM 1321 N ARG A 87 -5.769 -2.702 11.092 1.00 0.00 N ATOM 1322 CA ARG A 87 -4.523 -2.639 11.861 1.00 0.00 C ATOM 1323 C ARG A 87 -3.942 -1.250 11.786 1.00 0.00 C ATOM 1324 O ARG A 87 -4.090 -0.560 10.781 1.00 0.00 O ATOM 1325 CB ARG A 87 -3.501 -3.647 11.338 1.00 0.00 C ATOM 1326 CG ARG A 87 -4.054 -5.068 11.431 1.00 0.00 C ATOM 1327 CD ARG A 87 -3.058 -6.106 10.894 1.00 0.00 C ATOM 1328 NE ARG A 87 -3.724 -7.195 10.168 1.00 0.00 N ATOM 1329 CZ ARG A 87 -4.446 -8.206 10.660 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -4.731 -8.269 11.959 1.00 0.00 N ATOM 1331 NH2 ARG A 87 -4.874 -9.140 9.819 1.00 0.00 N ATOM 0 H ARG A 87 -5.638 -2.656 10.081 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.754 -2.886 12.897 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.250 -3.415 10.303 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.579 -3.571 11.914 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.293 -5.297 12.469 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.985 -5.133 10.868 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.345 -5.614 10.232 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.487 -6.522 11.724 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.622 -7.177 9.153 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.397 -7.541 12.590 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.283 -9.046 12.323 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.650 -9.074 8.826 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.427 -9.924 10.166 1.00 0.00 H new ATOM 1345 N VAL A 88 -3.260 -0.870 12.858 1.00 0.00 N ATOM 1346 CA VAL A 88 -2.782 0.497 13.054 1.00 0.00 C ATOM 1347 C VAL A 88 -1.745 0.821 11.977 1.00 0.00 C ATOM 1348 O VAL A 88 -0.820 0.034 11.757 1.00 0.00 O ATOM 1349 CB VAL A 88 -2.186 0.697 14.461 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -1.908 2.177 14.747 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -3.110 0.153 15.563 1.00 0.00 C ATOM 0 H VAL A 88 -3.020 -1.503 13.621 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.628 1.178 12.968 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.250 0.138 14.472 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.488 2.282 15.748 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.199 2.562 14.014 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.839 2.741 14.683 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.649 0.316 16.537 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.068 0.672 15.523 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.269 -0.915 15.410 1.00 0.00 H new ATOM 1361 N VAL A 89 -1.888 1.971 11.329 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.090 2.428 10.204 1.00 0.00 C ATOM 1363 C VAL A 89 -0.044 3.441 10.687 1.00 0.00 C ATOM 1364 O VAL A 89 -0.325 4.312 11.514 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.066 3.020 9.160 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -1.361 3.712 7.989 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -2.970 1.912 8.590 1.00 0.00 C ATOM 0 H VAL A 89 -2.606 2.646 11.592 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.533 1.614 9.741 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.649 3.772 9.692 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.106 4.103 7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.749 4.532 8.366 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.726 2.994 7.471 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.653 2.341 7.856 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.354 1.150 8.111 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.544 1.459 9.398 1.00 0.00 H new ATOM 1377 N VAL A 90 1.158 3.376 10.113 1.00 0.00 N ATOM 1378 CA VAL A 90 2.150 4.443 10.126 1.00 0.00 C ATOM 1379 C VAL A 90 2.339 4.886 8.671 1.00 0.00 C ATOM 1380 O VAL A 90 2.322 4.060 7.748 1.00 0.00 O ATOM 1381 CB VAL A 90 3.464 4.009 10.822 1.00 0.00 C ATOM 1382 CG1 VAL A 90 3.412 4.281 12.326 1.00 0.00 C ATOM 1383 CG2 VAL A 90 3.831 2.531 10.660 1.00 0.00 C ATOM 0 H VAL A 90 1.475 2.548 9.609 1.00 0.00 H new ATOM 0 HA VAL A 90 1.810 5.290 10.722 1.00 0.00 H new ATOM 0 HB VAL A 90 4.222 4.607 10.317 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.349 3.965 12.785 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.265 5.347 12.498 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.586 3.724 12.768 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.766 2.329 11.183 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.039 1.911 11.080 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.950 2.300 9.602 1.00 0.00 H new ATOM 1393 N THR A 91 2.442 6.197 8.481 1.00 0.00 N ATOM 1394 CA THR A 91 2.636 6.895 7.218 1.00 0.00 C ATOM 1395 C THR A 91 4.143 7.139 7.022 1.00 0.00 C ATOM 1396 O THR A 91 4.881 7.197 8.010 1.00 0.00 O ATOM 1397 CB THR A 91 1.864 8.239 7.308 1.00 0.00 C ATOM 1398 OG1 THR A 91 1.994 8.811 8.607 1.00 0.00 O ATOM 1399 CG2 THR A 91 0.361 8.074 7.077 1.00 0.00 C ATOM 0 H THR A 91 2.388 6.847 9.265 1.00 0.00 H new ATOM 0 HA THR A 91 2.266 6.317 6.371 1.00 0.00 H new ATOM 0 HB THR A 91 2.299 8.870 6.533 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.339 9.725 8.529 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.127 9.046 7.152 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.189 7.657 6.085 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.051 7.402 7.830 1.00 0.00 H new ATOM 1407 N LYS A 92 4.624 7.339 5.789 1.00 0.00 N ATOM 1408 CA LYS A 92 5.905 8.001 5.509 1.00 0.00 C ATOM 1409 C LYS A 92 5.870 8.607 4.104 1.00 0.00 C ATOM 1410 O LYS A 92 5.093 8.142 3.273 1.00 0.00 O ATOM 1411 CB LYS A 92 7.062 7.000 5.681 1.00 0.00 C ATOM 1412 CG LYS A 92 7.138 5.903 4.606 1.00 0.00 C ATOM 1413 CD LYS A 92 8.026 6.279 3.409 1.00 0.00 C ATOM 1414 CE LYS A 92 9.178 5.303 3.163 1.00 0.00 C ATOM 1415 NZ LYS A 92 10.120 5.266 4.304 1.00 0.00 N ATOM 0 H LYS A 92 4.129 7.042 4.948 1.00 0.00 H new ATOM 0 HA LYS A 92 6.070 8.813 6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.002 7.551 5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.969 6.525 6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.520 4.988 5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.132 5.686 4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.408 6.330 2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.435 7.276 3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.777 4.304 2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.713 5.593 2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.990 4.773 4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.352 6.237 4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.681 4.762 5.101 1.00 0.00 H new ATOM 1429 N TYR A 93 6.699 9.615 3.825 1.00 0.00 N ATOM 1430 CA TYR A 93 6.871 10.152 2.473 1.00 0.00 C ATOM 1431 C TYR A 93 7.808 9.234 1.693 1.00 0.00 C ATOM 1432 O TYR A 93 8.978 9.106 2.061 1.00 0.00 O ATOM 1433 CB TYR A 93 7.464 11.565 2.514 1.00 0.00 C ATOM 1434 CG TYR A 93 6.495 12.662 2.903 1.00 0.00 C ATOM 1435 CD1 TYR A 93 5.399 12.950 2.069 1.00 0.00 C ATOM 1436 CD2 TYR A 93 6.721 13.434 4.060 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.547 14.028 2.370 1.00 0.00 C ATOM 1438 CE2 TYR A 93 5.859 14.499 4.380 1.00 0.00 C ATOM 1439 CZ TYR A 93 4.770 14.797 3.533 1.00 0.00 C ATOM 1440 OH TYR A 93 3.933 15.823 3.832 1.00 0.00 O ATOM 0 H TYR A 93 7.270 10.082 4.529 1.00 0.00 H new ATOM 0 HA TYR A 93 5.896 10.203 1.989 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.296 11.572 3.218 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.875 11.797 1.532 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.212 12.342 1.196 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.559 13.207 4.703 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.724 14.267 1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.030 15.086 5.270 1.00 0.00 H new ATOM 0 HH TYR A 93 4.224 16.250 4.665 1.00 0.00 H new ATOM 1450 N CYS A 94 7.302 8.578 0.650 1.00 0.00 N ATOM 1451 CA CYS A 94 8.150 7.957 -0.358 1.00 0.00 C ATOM 1452 C CYS A 94 8.638 9.028 -1.331 1.00 0.00 C ATOM 1453 O CYS A 94 8.072 10.122 -1.387 1.00 0.00 O ATOM 1454 CB CYS A 94 7.359 6.898 -1.132 1.00 0.00 C ATOM 1455 SG CYS A 94 7.741 5.264 -0.451 1.00 0.00 S ATOM 0 H CYS A 94 6.302 8.464 0.483 1.00 0.00 H new ATOM 0 HA CYS A 94 8.999 7.481 0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.290 7.097 -1.057 1.00 0.00 H new ATOM 0 HB3 CYS A 94 7.616 6.935 -2.191 1.00 0.00 H new ATOM 0 HG CYS A 94 6.992 4.369 -1.024 1.00 0.00 H new ATOM 1461 N ASP A 95 9.639 8.693 -2.146 1.00 0.00 N ATOM 1462 CA ASP A 95 10.049 9.593 -3.216 1.00 0.00 C ATOM 1463 C ASP A 95 9.276 9.212 -4.490 1.00 0.00 C ATOM 1464 O ASP A 95 9.142 8.017 -4.776 1.00 0.00 O ATOM 1465 CB ASP A 95 11.562 9.489 -3.453 1.00 0.00 C ATOM 1466 CG ASP A 95 12.423 10.046 -2.310 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.047 11.063 -1.673 1.00 0.00 O ATOM 1468 OD2 ASP A 95 13.537 9.518 -2.084 1.00 0.00 O ATOM 0 H ASP A 95 10.169 7.824 -2.086 1.00 0.00 H new ATOM 0 HA ASP A 95 9.826 10.624 -2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.822 8.442 -3.610 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.811 10.021 -4.371 1.00 0.00 H new ATOM 1473 N PRO A 96 8.861 10.185 -5.320 1.00 0.00 N ATOM 1474 CA PRO A 96 7.981 9.948 -6.461 1.00 0.00 C ATOM 1475 C PRO A 96 8.669 9.191 -7.585 1.00 0.00 C ATOM 1476 O PRO A 96 8.045 8.355 -8.229 1.00 0.00 O ATOM 1477 CB PRO A 96 7.507 11.326 -6.941 1.00 0.00 C ATOM 1478 CG PRO A 96 8.472 12.316 -6.301 1.00 0.00 C ATOM 1479 CD PRO A 96 8.974 11.604 -5.058 1.00 0.00 C ATOM 0 HA PRO A 96 7.145 9.318 -6.157 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.532 11.396 -8.028 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.480 11.520 -6.633 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.292 12.564 -6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.972 13.251 -6.049 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.007 11.878 -4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.384 11.885 -4.186 1.00 0.00 H new ATOM 1487 N ASP A 97 9.958 9.456 -7.799 1.00 0.00 N ATOM 1488 CA ASP A 97 10.724 8.859 -8.897 1.00 0.00 C ATOM 1489 C ASP A 97 10.637 7.337 -8.883 1.00 0.00 C ATOM 1490 O ASP A 97 10.607 6.690 -9.932 1.00 0.00 O ATOM 1491 CB ASP A 97 12.207 9.241 -8.780 1.00 0.00 C ATOM 1492 CG ASP A 97 12.884 9.561 -10.117 1.00 0.00 C ATOM 1493 OD1 ASP A 97 12.266 9.399 -11.192 1.00 0.00 O ATOM 1494 OD2 ASP A 97 14.030 10.065 -10.079 1.00 0.00 O ATOM 0 H ASP A 97 10.503 10.091 -7.216 1.00 0.00 H new ATOM 0 HA ASP A 97 10.295 9.239 -9.824 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.296 10.107 -8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.744 8.422 -8.301 1.00 0.00 H new ATOM 1499 N SER A 98 10.621 6.782 -7.669 1.00 0.00 N ATOM 1500 CA SER A 98 10.585 5.356 -7.439 1.00 0.00 C ATOM 1501 C SER A 98 9.173 4.813 -7.717 1.00 0.00 C ATOM 1502 O SER A 98 9.021 3.803 -8.402 1.00 0.00 O ATOM 1503 CB SER A 98 11.116 5.076 -6.023 1.00 0.00 C ATOM 1504 OG SER A 98 10.285 5.554 -4.967 1.00 0.00 O ATOM 0 H SER A 98 10.633 7.331 -6.809 1.00 0.00 H new ATOM 0 HA SER A 98 11.236 4.819 -8.129 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.246 4.000 -5.905 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.102 5.529 -5.924 1.00 0.00 H new ATOM 0 HG SER A 98 9.988 6.465 -5.171 1.00 0.00 H new ATOM 1510 N TYR A 99 8.138 5.528 -7.250 1.00 0.00 N ATOM 1511 CA TYR A 99 6.726 5.194 -7.435 1.00 0.00 C ATOM 1512 C TYR A 99 6.320 5.192 -8.913 1.00 0.00 C ATOM 1513 O TYR A 99 5.453 4.417 -9.325 1.00 0.00 O ATOM 1514 CB TYR A 99 5.870 6.190 -6.637 1.00 0.00 C ATOM 1515 CG TYR A 99 4.383 5.899 -6.675 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.873 4.804 -5.951 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.514 6.686 -7.461 1.00 0.00 C ATOM 1518 CE1 TYR A 99 2.500 4.504 -6.001 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.154 6.350 -7.559 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.637 5.273 -6.809 1.00 0.00 C ATOM 1521 OH TYR A 99 0.311 4.973 -6.848 1.00 0.00 O ATOM 0 H TYR A 99 8.271 6.385 -6.714 1.00 0.00 H new ATOM 0 HA TYR A 99 6.560 4.182 -7.067 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.203 6.188 -5.599 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.043 7.194 -7.026 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.537 4.194 -5.357 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.896 7.548 -7.988 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.106 3.683 -5.420 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.504 6.916 -8.209 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.177 5.569 -6.243 1.00 0.00 H new ATOM 1531 N HIS A 100 6.964 6.032 -9.727 1.00 0.00 N ATOM 1532 CA HIS A 100 6.785 6.068 -11.173 1.00 0.00 C ATOM 1533 C HIS A 100 7.286 4.798 -11.873 1.00 0.00 C ATOM 1534 O HIS A 100 7.068 4.647 -13.082 1.00 0.00 O ATOM 1535 CB HIS A 100 7.512 7.295 -11.744 1.00 0.00 C ATOM 1536 CG HIS A 100 7.009 8.622 -11.226 1.00 0.00 C ATOM 1537 ND1 HIS A 100 7.725 9.798 -11.129 1.00 0.00 N ATOM 1538 CD2 HIS A 100 5.726 8.889 -10.831 1.00 0.00 C ATOM 1539 CE1 HIS A 100 6.883 10.749 -10.702 1.00 0.00 C ATOM 1540 NE2 HIS A 100 5.648 10.253 -10.536 1.00 0.00 N ATOM 0 H HIS A 100 7.638 6.719 -9.388 1.00 0.00 H new ATOM 0 HA HIS A 100 5.714 6.130 -11.364 1.00 0.00 H new ATOM 0 HB2 HIS A 100 8.574 7.210 -11.516 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.417 7.284 -12.830 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.919 8.174 -10.760 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.161 11.776 -10.517 1.00 0.00 H new ATOM 0 HE2 HIS A 100 4.816 10.769 -10.251 1.00 0.00 H new ATOM 1548 N ARG A 101 7.967 3.899 -11.161 1.00 0.00 N ATOM 1549 CA ARG A 101 8.501 2.636 -11.646 1.00 0.00 C ATOM 1550 C ARG A 101 8.042 1.532 -10.698 1.00 0.00 C ATOM 1551 O ARG A 101 7.260 1.759 -9.779 1.00 0.00 O ATOM 1552 CB ARG A 101 10.038 2.734 -11.741 1.00 0.00 C ATOM 1553 CG ARG A 101 10.469 3.724 -12.826 1.00 0.00 C ATOM 1554 CD ARG A 101 11.977 3.672 -13.078 1.00 0.00 C ATOM 1555 NE ARG A 101 12.334 4.591 -14.167 1.00 0.00 N ATOM 1556 CZ ARG A 101 13.498 4.662 -14.817 1.00 0.00 C ATOM 1557 NH1 ARG A 101 14.508 3.843 -14.526 1.00 0.00 N ATOM 1558 NH2 ARG A 101 13.659 5.562 -15.777 1.00 0.00 N ATOM 0 H ARG A 101 8.170 4.047 -10.172 1.00 0.00 H new ATOM 0 HA ARG A 101 8.134 2.403 -12.645 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.444 3.047 -10.779 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.454 1.750 -11.958 1.00 0.00 H new ATOM 0 HG2 ARG A 101 9.938 3.502 -13.752 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.185 4.734 -12.530 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.516 3.943 -12.170 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.277 2.656 -13.335 1.00 0.00 H new ATOM 0 HE ARG A 101 11.611 5.249 -14.459 1.00 0.00 H new ATOM 0 HH11 ARG A 101 14.401 3.142 -13.792 1.00 0.00 H new ATOM 0 HH12 ARG A 101 15.388 3.917 -15.037 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.896 6.195 -16.015 1.00 0.00 H new ATOM 0 HH22 ARG A 101 14.546 5.621 -16.277 1.00 0.00 H new ATOM 1572 N ARG A 102 8.526 0.313 -10.918 1.00 0.00 N ATOM 1573 CA ARG A 102 8.359 -0.809 -10.015 1.00 0.00 C ATOM 1574 C ARG A 102 9.546 -0.787 -9.053 1.00 0.00 C ATOM 1575 O ARG A 102 10.351 -1.723 -9.055 1.00 0.00 O ATOM 1576 CB ARG A 102 8.250 -2.102 -10.845 1.00 0.00 C ATOM 1577 CG ARG A 102 7.622 -3.251 -10.048 1.00 0.00 C ATOM 1578 CD ARG A 102 6.130 -3.302 -10.383 1.00 0.00 C ATOM 1579 NE ARG A 102 5.330 -3.939 -9.330 1.00 0.00 N ATOM 1580 CZ ARG A 102 5.282 -5.244 -9.039 1.00 0.00 C ATOM 1581 NH1 ARG A 102 5.905 -6.165 -9.772 1.00 0.00 N ATOM 1582 NH2 ARG A 102 4.578 -5.618 -7.982 1.00 0.00 N ATOM 0 H ARG A 102 9.060 0.077 -11.755 1.00 0.00 H new ATOM 0 HA ARG A 102 7.445 -0.752 -9.423 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.652 -1.910 -11.736 1.00 0.00 H new ATOM 0 HB3 ARG A 102 9.242 -2.398 -11.185 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.101 -4.197 -10.301 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.767 -3.096 -8.979 1.00 0.00 H new ATOM 0 HD2 ARG A 102 5.765 -2.288 -10.547 1.00 0.00 H new ATOM 0 HD3 ARG A 102 5.991 -3.846 -11.317 1.00 0.00 H new ATOM 0 HE ARG A 102 4.750 -3.322 -8.761 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.445 -5.885 -10.591 1.00 0.00 H new ATOM 0 HH12 ARG A 102 5.842 -7.150 -9.514 1.00 0.00 H new ATOM 0 HH21 ARG A 102 4.094 -4.919 -7.419 1.00 0.00 H new ATOM 0 HH22 ARG A 102 4.520 -6.605 -7.731 1.00 0.00 H new ATOM 1596 N ASP A 103 9.760 0.325 -8.351 1.00 0.00 N ATOM 1597 CA ASP A 103 10.924 0.514 -7.493 1.00 0.00 C ATOM 1598 C ASP A 103 10.472 0.804 -6.067 1.00 0.00 C ATOM 1599 O ASP A 103 10.050 1.918 -5.752 1.00 0.00 O ATOM 1600 CB ASP A 103 11.827 1.615 -8.054 1.00 0.00 C ATOM 1601 CG ASP A 103 13.147 1.677 -7.295 1.00 0.00 C ATOM 1602 OD1 ASP A 103 13.648 0.597 -6.890 1.00 0.00 O ATOM 1603 OD2 ASP A 103 13.737 2.770 -7.221 1.00 0.00 O ATOM 0 H ASP A 103 9.126 1.124 -8.363 1.00 0.00 H new ATOM 0 HA ASP A 103 11.516 -0.401 -7.471 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.019 1.430 -9.111 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.319 2.577 -7.986 1.00 0.00 H new ATOM 1608 N PHE A 104 10.474 -0.215 -5.203 1.00 0.00 N ATOM 1609 CA PHE A 104 9.915 -0.133 -3.859 1.00 0.00 C ATOM 1610 C PHE A 104 10.826 -0.868 -2.876 1.00 0.00 C ATOM 1611 O PHE A 104 11.690 -1.648 -3.284 1.00 0.00 O ATOM 1612 CB PHE A 104 8.491 -0.717 -3.837 1.00 0.00 C ATOM 1613 CG PHE A 104 7.620 -0.433 -5.049 1.00 0.00 C ATOM 1614 CD1 PHE A 104 7.194 0.872 -5.361 1.00 0.00 C ATOM 1615 CD2 PHE A 104 7.222 -1.502 -5.874 1.00 0.00 C ATOM 1616 CE1 PHE A 104 6.419 1.102 -6.512 1.00 0.00 C ATOM 1617 CE2 PHE A 104 6.427 -1.270 -7.004 1.00 0.00 C ATOM 1618 CZ PHE A 104 6.040 0.035 -7.341 1.00 0.00 C ATOM 0 H PHE A 104 10.869 -1.129 -5.424 1.00 0.00 H new ATOM 0 HA PHE A 104 9.853 0.913 -3.557 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.568 -1.798 -3.719 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.980 -0.335 -2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.462 1.696 -4.717 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.532 -2.508 -5.634 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.113 2.108 -6.760 1.00 0.00 H new ATOM 0 HE2 PHE A 104 6.111 -2.100 -7.618 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.455 0.217 -8.231 1.00 0.00 H new ATOM 1628 N TRP A 105 10.652 -0.621 -1.576 1.00 0.00 N ATOM 1629 CA TRP A 105 11.354 -1.313 -0.502 1.00 0.00 C ATOM 1630 C TRP A 105 10.492 -1.232 0.741 1.00 0.00 C ATOM 1631 O TRP A 105 9.709 -0.261 0.871 1.00 0.00 O ATOM 1632 CB TRP A 105 12.717 -0.673 -0.231 1.00 0.00 C ATOM 1633 CG TRP A 105 13.822 -1.569 0.227 1.00 0.00 C ATOM 1634 CD1 TRP A 105 14.251 -2.674 -0.424 1.00 0.00 C ATOM 1635 CD2 TRP A 105 14.768 -1.350 1.319 1.00 0.00 C ATOM 1636 NE1 TRP A 105 15.402 -3.137 0.179 1.00 0.00 N ATOM 1637 CE2 TRP A 105 15.801 -2.323 1.214 1.00 0.00 C ATOM 1638 CE3 TRP A 105 14.901 -0.390 2.346 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 16.934 -2.312 2.042 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 16.022 -0.382 3.198 1.00 0.00 C ATOM 1641 CH2 TRP A 105 17.053 -1.324 3.032 1.00 0.00 C ATOM 0 H TRP A 105 10.000 0.086 -1.236 1.00 0.00 H new ATOM 0 HA TRP A 105 11.529 -2.350 -0.788 1.00 0.00 H new ATOM 0 HB2 TRP A 105 13.043 -0.177 -1.145 1.00 0.00 H new ATOM 0 HB3 TRP A 105 12.580 0.104 0.521 1.00 0.00 H new ATOM 0 HD1 TRP A 105 13.769 -3.123 -1.280 1.00 0.00 H new ATOM 0 HE1 TRP A 105 15.898 -3.981 -0.108 1.00 0.00 H new ATOM 0 HE3 TRP A 105 14.128 0.352 2.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 17.707 -3.056 1.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 16.091 0.354 3.986 1.00 0.00 H new ATOM 0 HH2 TRP A 105 17.930 -1.288 3.662 1.00 0.00 H new TER 1652 TRP A 105