USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.0791 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -78:sc= -4.35 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 117:sc= -3.11! USER MOD Single : A 35 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.094) USER MOD Single : A 37 ASN :FLIP amide:sc= -1.67! C(o=-4!,f=-1.7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.532 K(o=-0.53,f=-1.3) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.909 F(o=-2.7!,f=-0.91) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -9.94! C(o=-15!,f=-9.9!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -119:sc= -9! (180deg=-9.79!) USER MOD Single : A 82 THR OG1 : rot 160:sc= -0.295 USER MOD Single : A 84 HIS : no HD1:sc= -2.97 K(o=-3,f=-4.6!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 31:sc= 0.898 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= -1.36 F(o=-2.1,f=-1.4) USER MOD Single : A 96 GLN : amide:sc= -3.98! C(o=-4!,f=-9.8!) USER MOD Single : A 101 TYR OH : rot -165:sc= -2.37! USER MOD Single : A 104 LYS NZ :NH3+ -117:sc= 0.156 (180deg=-1.35) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= -0.267 K(o=-0.27,f=-2.1!) USER MOD Single : A 122 TYR OH : rot 150:sc= -0.288 USER MOD Single : A 123 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.755 -17.861 -3.837 1.00 0.00 N ATOM 2 CA MET A 1 12.832 -16.951 -3.107 1.00 0.00 C ATOM 3 C MET A 1 12.069 -16.048 -4.070 1.00 0.00 C ATOM 4 O MET A 1 12.423 -15.936 -5.244 1.00 0.00 O ATOM 5 CB MET A 1 13.647 -16.102 -2.127 1.00 0.00 C ATOM 6 CG MET A 1 12.793 -15.307 -1.154 1.00 0.00 C ATOM 7 SD MET A 1 13.633 -14.992 0.410 1.00 0.00 S ATOM 8 CE MET A 1 12.636 -15.969 1.532 1.00 0.00 C ATOM 0 H1 MET A 1 13.477 -18.848 -3.665 1.00 0.00 H new ATOM 0 H2 MET A 1 13.706 -17.661 -4.856 1.00 0.00 H new ATOM 0 H3 MET A 1 14.728 -17.711 -3.501 1.00 0.00 H new ATOM 0 HA MET A 1 12.100 -17.551 -2.566 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.314 -16.754 -1.563 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.276 -15.414 -2.692 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.517 -14.357 -1.611 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.867 -15.849 -0.962 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.031 -15.877 2.544 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.607 -15.611 1.510 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.663 -17.015 1.226 1.00 0.00 H new ATOM 20 N GLN A 2 11.021 -15.404 -3.567 1.00 0.00 N ATOM 21 CA GLN A 2 10.211 -14.512 -4.385 1.00 0.00 C ATOM 22 C GLN A 2 11.000 -13.266 -4.773 1.00 0.00 C ATOM 23 O GLN A 2 11.800 -12.754 -3.990 1.00 0.00 O ATOM 24 CB GLN A 2 8.937 -14.112 -3.637 1.00 0.00 C ATOM 25 CG GLN A 2 7.834 -15.155 -3.719 1.00 0.00 C ATOM 26 CD GLN A 2 7.174 -15.414 -2.377 1.00 0.00 C ATOM 27 OE1 GLN A 2 5.997 -15.110 -2.182 1.00 0.00 O ATOM 28 NE2 GLN A 2 7.931 -15.981 -1.445 1.00 0.00 N ATOM 0 H GLN A 2 10.714 -15.484 -2.598 1.00 0.00 H new ATOM 0 HA GLN A 2 9.935 -15.045 -5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.181 -13.934 -2.590 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.567 -13.170 -4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.079 -14.825 -4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.249 -16.088 -4.102 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.902 -16.216 -1.650 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.541 -16.181 -0.524 1.00 0.00 H new ATOM 37 N ARG A 3 10.767 -12.788 -5.989 1.00 0.00 N ATOM 38 CA ARG A 3 11.452 -11.603 -6.491 1.00 0.00 C ATOM 39 C ARG A 3 11.137 -10.380 -5.632 1.00 0.00 C ATOM 40 O ARG A 3 11.880 -9.398 -5.637 1.00 0.00 O ATOM 41 CB ARG A 3 11.063 -11.341 -7.949 1.00 0.00 C ATOM 42 CG ARG A 3 9.562 -11.259 -8.179 1.00 0.00 C ATOM 43 CD ARG A 3 8.993 -12.582 -8.672 1.00 0.00 C ATOM 44 NE ARG A 3 7.685 -12.860 -8.082 1.00 0.00 N ATOM 45 CZ ARG A 3 7.161 -14.075 -7.953 1.00 0.00 C ATOM 46 NH1 ARG A 3 7.827 -15.145 -8.368 1.00 0.00 N ATOM 47 NH2 ARG A 3 5.963 -14.218 -7.404 1.00 0.00 N ATOM 0 H ARG A 3 10.108 -13.204 -6.647 1.00 0.00 H new ATOM 0 HA ARG A 3 12.525 -11.786 -6.439 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.523 -10.408 -8.276 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.474 -12.135 -8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.067 -10.974 -7.251 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.348 -10.477 -8.908 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.905 -12.558 -9.758 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.683 -13.389 -8.426 1.00 0.00 H new ATOM 0 HE ARG A 3 7.137 -12.068 -7.746 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.749 -15.039 -8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.417 -16.073 -8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.448 -13.398 -7.083 1.00 0.00 H new ATOM 0 HH22 ARG A 3 5.556 -15.148 -7.303 1.00 0.00 H new ATOM 61 N GLY A 4 10.038 -10.449 -4.892 1.00 0.00 N ATOM 62 CA GLY A 4 9.653 -9.344 -4.038 1.00 0.00 C ATOM 63 C GLY A 4 9.143 -8.154 -4.823 1.00 0.00 C ATOM 64 O GLY A 4 9.923 -7.304 -5.252 1.00 0.00 O ATOM 0 H GLY A 4 9.407 -11.250 -4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.880 -9.677 -3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.509 -9.038 -3.437 1.00 0.00 H new ATOM 68 N ILE A 5 7.830 -8.087 -5.008 1.00 0.00 N ATOM 69 CA ILE A 5 7.221 -6.985 -5.742 1.00 0.00 C ATOM 70 C ILE A 5 6.475 -6.057 -4.802 1.00 0.00 C ATOM 71 O ILE A 5 5.479 -6.446 -4.191 1.00 0.00 O ATOM 72 CB ILE A 5 6.233 -7.483 -6.815 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.847 -8.624 -7.613 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.815 -6.345 -7.738 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.533 -9.978 -7.028 1.00 0.00 C ATOM 0 H ILE A 5 7.168 -8.781 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 5 8.037 -6.451 -6.229 1.00 0.00 H new ATOM 0 HB ILE A 5 5.340 -7.854 -6.312 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.481 -8.582 -8.639 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.928 -8.492 -7.654 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.118 -6.721 -8.487 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.332 -5.561 -7.154 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.695 -5.937 -8.235 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.996 -10.754 -7.638 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.922 -10.034 -6.012 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.453 -10.126 -7.012 1.00 0.00 H new ATOM 87 N VAL A 6 6.944 -4.825 -4.703 1.00 0.00 N ATOM 88 CA VAL A 6 6.296 -3.841 -3.853 1.00 0.00 C ATOM 89 C VAL A 6 5.561 -2.821 -4.708 1.00 0.00 C ATOM 90 O VAL A 6 6.142 -2.220 -5.607 1.00 0.00 O ATOM 91 CB VAL A 6 7.287 -3.095 -2.940 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.448 -2.543 -3.749 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.558 -1.987 -2.196 1.00 0.00 C ATOM 0 H VAL A 6 7.768 -4.483 -5.198 1.00 0.00 H new ATOM 0 HA VAL A 6 5.601 -4.389 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 6 7.698 -3.792 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.137 -2.020 -3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.971 -3.363 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.071 -1.850 -4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.260 -1.460 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.129 -1.288 -2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.761 -2.419 -1.590 1.00 0.00 H new ATOM 103 N TRP A 7 4.282 -2.627 -4.426 1.00 0.00 N ATOM 104 CA TRP A 7 3.480 -1.673 -5.178 1.00 0.00 C ATOM 105 C TRP A 7 3.041 -0.520 -4.286 1.00 0.00 C ATOM 106 O TRP A 7 2.840 -0.692 -3.086 1.00 0.00 O ATOM 107 CB TRP A 7 2.272 -2.376 -5.806 1.00 0.00 C ATOM 108 CG TRP A 7 2.630 -3.147 -7.047 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.890 -3.448 -7.482 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.730 -3.711 -8.013 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.832 -4.126 -8.671 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.521 -4.312 -9.013 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.338 -3.764 -8.137 1.00 0.00 C ATOM 114 CZ2 TRP A 7 1.969 -4.950 -10.119 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.209 -4.403 -9.236 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.606 -4.986 -10.214 1.00 0.00 C ATOM 0 H TRP A 7 3.778 -3.115 -3.685 1.00 0.00 H new ATOM 0 HA TRP A 7 4.090 -1.259 -5.981 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.832 -3.055 -5.076 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.512 -1.634 -6.051 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.801 -3.189 -6.963 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.636 -4.441 -9.213 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.298 -3.315 -7.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.595 -5.401 -10.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.283 -4.453 -9.341 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.148 -5.474 -11.061 1.00 0.00 H new ATOM 127 N VAL A 8 2.923 0.669 -4.871 1.00 0.00 N ATOM 128 CA VAL A 8 2.540 1.855 -4.111 1.00 0.00 C ATOM 129 C VAL A 8 1.529 2.701 -4.864 1.00 0.00 C ATOM 130 O VAL A 8 1.585 2.813 -6.083 1.00 0.00 O ATOM 131 CB VAL A 8 3.755 2.759 -3.805 1.00 0.00 C ATOM 132 CG1 VAL A 8 3.591 3.459 -2.461 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.058 1.975 -3.861 1.00 0.00 C ATOM 0 H VAL A 8 3.086 0.836 -5.864 1.00 0.00 H new ATOM 0 HA VAL A 8 2.106 1.481 -3.184 1.00 0.00 H new ATOM 0 HB VAL A 8 3.800 3.526 -4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.460 4.089 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.693 4.076 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.503 2.713 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.893 2.640 -3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.031 1.171 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.185 1.551 -4.857 1.00 0.00 H new ATOM 143 N VAL A 9 0.625 3.324 -4.128 1.00 0.00 N ATOM 144 CA VAL A 9 -0.370 4.190 -4.736 1.00 0.00 C ATOM 145 C VAL A 9 -0.396 5.543 -4.028 1.00 0.00 C ATOM 146 O VAL A 9 -0.774 5.640 -2.863 1.00 0.00 O ATOM 147 CB VAL A 9 -1.786 3.563 -4.747 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.339 3.597 -6.159 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.781 2.129 -4.230 1.00 0.00 C ATOM 0 H VAL A 9 0.559 3.247 -3.113 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.077 4.327 -5.777 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.417 4.149 -4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.336 3.156 -6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.395 4.630 -6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.684 3.029 -6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.795 1.729 -4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.134 1.518 -4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.411 2.113 -3.205 1.00 0.00 H new ATOM 159 N ASP A 10 0.033 6.581 -4.744 1.00 0.00 N ATOM 160 CA ASP A 10 0.084 7.935 -4.198 1.00 0.00 C ATOM 161 C ASP A 10 0.258 8.951 -5.326 1.00 0.00 C ATOM 162 O ASP A 10 -0.135 8.694 -6.463 1.00 0.00 O ATOM 163 CB ASP A 10 1.214 8.043 -3.157 1.00 0.00 C ATOM 164 CG ASP A 10 1.043 9.227 -2.210 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.338 9.088 -1.184 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.621 10.296 -2.496 1.00 0.00 O ATOM 0 H ASP A 10 0.352 6.508 -5.710 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.856 8.157 -3.693 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.253 7.122 -2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.169 8.134 -3.674 1.00 0.00 H new ATOM 171 N ASP A 11 0.831 10.105 -5.012 1.00 0.00 N ATOM 172 CA ASP A 11 1.038 11.155 -6.003 1.00 0.00 C ATOM 173 C ASP A 11 2.060 10.748 -7.073 1.00 0.00 C ATOM 174 O ASP A 11 2.462 11.573 -7.891 1.00 0.00 O ATOM 175 CB ASP A 11 1.484 12.449 -5.315 1.00 0.00 C ATOM 176 CG ASP A 11 0.547 13.609 -5.597 1.00 0.00 C ATOM 177 OD1 ASP A 11 -0.676 13.373 -5.702 1.00 0.00 O ATOM 178 OD2 ASP A 11 1.036 14.752 -5.713 1.00 0.00 O ATOM 0 H ASP A 11 1.162 10.339 -4.076 1.00 0.00 H new ATOM 0 HA ASP A 11 0.086 11.319 -6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.540 12.284 -4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.488 12.708 -5.650 1.00 0.00 H new ATOM 183 N ASP A 12 2.471 9.475 -7.070 1.00 0.00 N ATOM 184 CA ASP A 12 3.433 8.967 -8.049 1.00 0.00 C ATOM 185 C ASP A 12 4.617 9.928 -8.226 1.00 0.00 C ATOM 186 O ASP A 12 5.057 10.553 -7.261 1.00 0.00 O ATOM 187 CB ASP A 12 2.722 8.707 -9.383 1.00 0.00 C ATOM 188 CG ASP A 12 2.104 9.961 -9.970 1.00 0.00 C ATOM 189 OD1 ASP A 12 2.859 10.911 -10.268 1.00 0.00 O ATOM 190 OD2 ASP A 12 0.867 9.994 -10.126 1.00 0.00 O ATOM 0 H ASP A 12 2.150 8.778 -6.398 1.00 0.00 H new ATOM 0 HA ASP A 12 3.842 8.027 -7.679 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.435 8.290 -10.095 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.944 7.958 -9.236 1.00 0.00 H new ATOM 195 N SER A 13 5.126 10.044 -9.459 1.00 0.00 N ATOM 196 CA SER A 13 6.248 10.921 -9.774 1.00 0.00 C ATOM 197 C SER A 13 7.269 11.002 -8.637 1.00 0.00 C ATOM 198 O SER A 13 8.198 10.196 -8.573 1.00 0.00 O ATOM 199 CB SER A 13 5.719 12.299 -10.154 1.00 0.00 C ATOM 200 OG SER A 13 6.630 12.982 -10.999 1.00 0.00 O ATOM 0 H SER A 13 4.767 9.530 -10.263 1.00 0.00 H new ATOM 0 HA SER A 13 6.785 10.496 -10.622 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.758 12.196 -10.658 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.545 12.886 -9.252 1.00 0.00 H new ATOM 0 HG SER A 13 6.266 13.862 -11.229 1.00 0.00 H new ATOM 206 N SER A 14 7.106 11.970 -7.750 1.00 0.00 N ATOM 207 CA SER A 14 8.026 12.141 -6.635 1.00 0.00 C ATOM 208 C SER A 14 8.082 10.888 -5.770 1.00 0.00 C ATOM 209 O SER A 14 9.160 10.362 -5.495 1.00 0.00 O ATOM 210 CB SER A 14 7.617 13.343 -5.785 1.00 0.00 C ATOM 211 OG SER A 14 8.007 14.558 -6.402 1.00 0.00 O ATOM 0 H SER A 14 6.346 12.650 -7.779 1.00 0.00 H new ATOM 0 HA SER A 14 9.020 12.317 -7.047 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.537 13.337 -5.636 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.075 13.268 -4.799 1.00 0.00 H new ATOM 0 HG SER A 14 7.733 15.313 -5.840 1.00 0.00 H new ATOM 217 N ILE A 15 6.917 10.415 -5.344 1.00 0.00 N ATOM 218 CA ILE A 15 6.837 9.225 -4.506 1.00 0.00 C ATOM 219 C ILE A 15 7.371 8.000 -5.236 1.00 0.00 C ATOM 220 O ILE A 15 7.872 7.061 -4.616 1.00 0.00 O ATOM 221 CB ILE A 15 5.390 8.939 -4.055 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.709 10.219 -3.560 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.377 7.877 -2.969 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.362 10.819 -2.334 1.00 0.00 C ATOM 0 H ILE A 15 6.015 10.837 -5.565 1.00 0.00 H new ATOM 0 HA ILE A 15 7.451 9.425 -3.628 1.00 0.00 H new ATOM 0 HB ILE A 15 4.831 8.568 -4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.715 10.957 -4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.665 10.001 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.349 7.685 -2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.818 6.958 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.954 8.225 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.826 11.722 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.332 10.099 -1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.399 11.069 -2.560 1.00 0.00 H new ATOM 236 N ARG A 16 7.246 8.011 -6.554 1.00 0.00 N ATOM 237 CA ARG A 16 7.700 6.897 -7.379 1.00 0.00 C ATOM 238 C ARG A 16 9.218 6.840 -7.466 1.00 0.00 C ATOM 239 O ARG A 16 9.831 5.827 -7.130 1.00 0.00 O ATOM 240 CB ARG A 16 7.110 7.004 -8.789 1.00 0.00 C ATOM 241 CG ARG A 16 7.466 5.832 -9.695 1.00 0.00 C ATOM 242 CD ARG A 16 8.159 6.295 -10.968 1.00 0.00 C ATOM 243 NE ARG A 16 8.357 5.199 -11.916 1.00 0.00 N ATOM 244 CZ ARG A 16 7.404 4.739 -12.723 1.00 0.00 C ATOM 245 NH1 ARG A 16 6.187 5.262 -12.687 1.00 0.00 N ATOM 246 NH2 ARG A 16 7.670 3.749 -13.566 1.00 0.00 N ATOM 0 H ARG A 16 6.832 8.781 -7.079 1.00 0.00 H new ATOM 0 HA ARG A 16 7.353 5.979 -6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.025 7.077 -8.714 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.460 7.927 -9.250 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.116 5.141 -9.158 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.560 5.283 -9.953 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.565 7.078 -11.439 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.124 6.734 -10.716 1.00 0.00 H new ATOM 0 HE ARG A 16 9.278 4.762 -11.961 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.977 6.021 -12.039 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.460 4.906 -13.308 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.604 3.341 -13.595 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.940 3.396 -14.185 1.00 0.00 H new ATOM 260 N TRP A 17 9.819 7.922 -7.938 1.00 0.00 N ATOM 261 CA TRP A 17 11.266 7.979 -8.094 1.00 0.00 C ATOM 262 C TRP A 17 12.003 7.546 -6.828 1.00 0.00 C ATOM 263 O TRP A 17 13.027 6.861 -6.900 1.00 0.00 O ATOM 264 CB TRP A 17 11.706 9.386 -8.489 1.00 0.00 C ATOM 265 CG TRP A 17 13.153 9.452 -8.860 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.701 9.172 -10.077 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.240 9.810 -8.003 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.064 9.341 -10.031 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.418 9.734 -8.767 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.328 10.190 -6.662 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.671 10.025 -8.234 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.571 10.479 -6.132 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.728 10.396 -6.917 1.00 0.00 C ATOM 0 H TRP A 17 9.329 8.771 -8.219 1.00 0.00 H new ATOM 0 HA TRP A 17 11.527 7.278 -8.887 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.103 9.729 -9.330 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.515 10.068 -7.661 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.145 8.863 -10.950 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.707 9.197 -10.810 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.441 10.257 -6.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.565 9.961 -8.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.652 10.774 -5.096 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.685 10.629 -6.474 1.00 0.00 H new ATOM 284 N VAL A 18 11.498 7.959 -5.673 1.00 0.00 N ATOM 285 CA VAL A 18 12.140 7.625 -4.410 1.00 0.00 C ATOM 286 C VAL A 18 11.983 6.151 -4.048 1.00 0.00 C ATOM 287 O VAL A 18 12.971 5.456 -3.811 1.00 0.00 O ATOM 288 CB VAL A 18 11.628 8.496 -3.242 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.684 8.585 -2.149 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.247 9.893 -3.717 1.00 0.00 C ATOM 0 H VAL A 18 10.652 8.522 -5.585 1.00 0.00 H new ATOM 0 HA VAL A 18 13.199 7.834 -4.562 1.00 0.00 H new ATOM 0 HB VAL A 18 10.734 8.022 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.310 9.202 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.907 7.585 -1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.591 9.032 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.891 10.480 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.119 10.379 -4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.458 9.820 -4.466 1.00 0.00 H new ATOM 300 N LEU A 19 10.744 5.685 -3.978 1.00 0.00 N ATOM 301 CA LEU A 19 10.470 4.292 -3.612 1.00 0.00 C ATOM 302 C LEU A 19 10.857 3.311 -4.716 1.00 0.00 C ATOM 303 O LEU A 19 11.090 2.134 -4.444 1.00 0.00 O ATOM 304 CB LEU A 19 8.995 4.093 -3.224 1.00 0.00 C ATOM 305 CG LEU A 19 8.766 3.151 -2.033 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.526 3.635 -0.812 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.284 3.031 -1.713 1.00 0.00 C ATOM 0 H LEU A 19 9.912 6.244 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 19 11.094 4.077 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.561 5.065 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.456 3.703 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 19 9.141 2.165 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.350 2.953 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.592 3.666 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.183 4.634 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.148 2.359 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.885 4.014 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.756 2.634 -2.580 1.00 0.00 H new ATOM 319 N GLU A 20 10.922 3.782 -5.954 1.00 0.00 N ATOM 320 CA GLU A 20 11.279 2.906 -7.063 1.00 0.00 C ATOM 321 C GLU A 20 12.731 2.450 -6.971 1.00 0.00 C ATOM 322 O GLU A 20 13.007 1.254 -6.893 1.00 0.00 O ATOM 323 CB GLU A 20 11.001 3.564 -8.421 1.00 0.00 C ATOM 324 CG GLU A 20 11.942 4.689 -8.812 1.00 0.00 C ATOM 325 CD GLU A 20 11.633 5.245 -10.188 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.566 4.903 -10.739 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.460 6.015 -10.718 1.00 0.00 O ATOM 0 H GLU A 20 10.736 4.750 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 20 10.644 2.024 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.043 2.795 -9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.983 3.953 -8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.874 5.489 -8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.969 4.324 -8.792 1.00 0.00 H new ATOM 334 N ARG A 21 13.650 3.404 -6.989 1.00 0.00 N ATOM 335 CA ARG A 21 15.075 3.099 -6.920 1.00 0.00 C ATOM 336 C ARG A 21 15.491 2.641 -5.526 1.00 0.00 C ATOM 337 O ARG A 21 16.114 1.591 -5.371 1.00 0.00 O ATOM 338 CB ARG A 21 15.902 4.319 -7.332 1.00 0.00 C ATOM 339 CG ARG A 21 15.699 4.729 -8.782 1.00 0.00 C ATOM 340 CD ARG A 21 16.903 4.379 -9.642 1.00 0.00 C ATOM 341 NE ARG A 21 18.151 4.877 -9.069 1.00 0.00 N ATOM 342 CZ ARG A 21 19.355 4.412 -9.395 1.00 0.00 C ATOM 343 NH1 ARG A 21 19.480 3.436 -10.287 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.437 4.924 -8.825 1.00 0.00 N ATOM 0 H ARG A 21 13.435 4.399 -7.051 1.00 0.00 H new ATOM 0 HA ARG A 21 15.265 2.280 -7.613 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.643 5.158 -6.686 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.958 4.104 -7.168 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.813 4.234 -9.179 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.515 5.802 -8.834 1.00 0.00 H new ATOM 0 HD2 ARG A 21 16.964 3.297 -9.757 1.00 0.00 H new ATOM 0 HD3 ARG A 21 16.770 4.798 -10.639 1.00 0.00 H new ATOM 0 HE ARG A 21 18.097 5.625 -8.378 1.00 0.00 H new ATOM 0 HH11 ARG A 21 18.650 3.038 -10.727 1.00 0.00 H new ATOM 0 HH12 ARG A 21 20.406 3.085 -10.532 1.00 0.00 H new ATOM 0 HH21 ARG A 21 20.346 5.673 -8.138 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.361 4.569 -9.073 1.00 0.00 H new ATOM 358 N ALA A 22 15.157 3.436 -4.515 1.00 0.00 N ATOM 359 CA ALA A 22 15.514 3.105 -3.139 1.00 0.00 C ATOM 360 C ALA A 22 15.107 1.688 -2.782 1.00 0.00 C ATOM 361 O ALA A 22 15.945 0.857 -2.435 1.00 0.00 O ATOM 362 CB ALA A 22 14.891 4.095 -2.169 1.00 0.00 C ATOM 0 H ALA A 22 14.642 4.310 -4.621 1.00 0.00 H new ATOM 0 HA ALA A 22 16.599 3.171 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.170 3.830 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.250 5.099 -2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.806 4.067 -2.267 1.00 0.00 H new ATOM 368 N LEU A 23 13.819 1.419 -2.873 1.00 0.00 N ATOM 369 CA LEU A 23 13.307 0.094 -2.560 1.00 0.00 C ATOM 370 C LEU A 23 13.905 -0.942 -3.508 1.00 0.00 C ATOM 371 O LEU A 23 13.984 -2.127 -3.179 1.00 0.00 O ATOM 372 CB LEU A 23 11.773 0.068 -2.610 1.00 0.00 C ATOM 373 CG LEU A 23 11.105 -1.089 -1.847 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.852 -1.415 -0.557 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.653 -0.765 -1.538 1.00 0.00 C ATOM 0 H LEU A 23 13.110 2.094 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 23 13.606 -0.158 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.398 1.009 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.462 0.020 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 23 11.142 -1.967 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.352 -2.237 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.876 -1.704 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.862 -0.537 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.201 -1.597 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.604 0.135 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.111 -0.600 -2.469 1.00 0.00 H new ATOM 387 N ALA A 24 14.360 -0.486 -4.673 1.00 0.00 N ATOM 388 CA ALA A 24 14.984 -1.378 -5.634 1.00 0.00 C ATOM 389 C ALA A 24 16.304 -1.872 -5.067 1.00 0.00 C ATOM 390 O ALA A 24 16.677 -3.031 -5.240 1.00 0.00 O ATOM 391 CB ALA A 24 15.203 -0.679 -6.968 1.00 0.00 C ATOM 0 H ALA A 24 14.307 0.489 -4.968 1.00 0.00 H new ATOM 0 HA ALA A 24 14.323 -2.226 -5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.672 -1.370 -7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.244 -0.351 -7.369 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.851 0.186 -6.824 1.00 0.00 H new ATOM 397 N GLY A 25 16.999 -0.976 -4.367 1.00 0.00 N ATOM 398 CA GLY A 25 18.263 -1.334 -3.757 1.00 0.00 C ATOM 399 C GLY A 25 18.087 -2.399 -2.696 1.00 0.00 C ATOM 400 O GLY A 25 19.017 -3.144 -2.391 1.00 0.00 O ATOM 0 H GLY A 25 16.707 -0.011 -4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.949 -1.693 -4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.717 -0.448 -3.313 1.00 0.00 H new ATOM 404 N ALA A 26 16.882 -2.476 -2.136 1.00 0.00 N ATOM 405 CA ALA A 26 16.581 -3.461 -1.113 1.00 0.00 C ATOM 406 C ALA A 26 16.366 -4.841 -1.731 1.00 0.00 C ATOM 407 O ALA A 26 16.406 -5.855 -1.033 1.00 0.00 O ATOM 408 CB ALA A 26 15.364 -3.034 -0.310 1.00 0.00 C ATOM 0 H ALA A 26 16.101 -1.866 -2.377 1.00 0.00 H new ATOM 0 HA ALA A 26 17.434 -3.526 -0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.151 -3.783 0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.562 -2.075 0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.505 -2.938 -0.974 1.00 0.00 H new ATOM 414 N GLY A 27 16.162 -4.878 -3.049 1.00 0.00 N ATOM 415 CA GLY A 27 15.973 -6.145 -3.734 1.00 0.00 C ATOM 416 C GLY A 27 14.531 -6.426 -4.126 1.00 0.00 C ATOM 417 O GLY A 27 14.157 -7.585 -4.303 1.00 0.00 O ATOM 0 H GLY A 27 16.125 -4.055 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.592 -6.157 -4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.328 -6.951 -3.091 1.00 0.00 H new ATOM 421 N LEU A 28 13.715 -5.382 -4.276 1.00 0.00 N ATOM 422 CA LEU A 28 12.322 -5.568 -4.662 1.00 0.00 C ATOM 423 C LEU A 28 11.942 -4.660 -5.826 1.00 0.00 C ATOM 424 O LEU A 28 12.714 -3.791 -6.232 1.00 0.00 O ATOM 425 CB LEU A 28 11.376 -5.319 -3.481 1.00 0.00 C ATOM 426 CG LEU A 28 12.013 -5.427 -2.097 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.539 -4.089 -1.661 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.018 -5.973 -1.083 1.00 0.00 C ATOM 0 H LEU A 28 13.993 -4.411 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 28 12.217 -6.605 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.944 -4.324 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.553 -6.031 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 28 12.848 -6.125 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.990 -4.180 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.289 -3.744 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.720 -3.371 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.495 -6.041 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.158 -5.306 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.687 -6.964 -1.395 1.00 0.00 H new ATOM 440 N THR A 29 10.740 -4.873 -6.355 1.00 0.00 N ATOM 441 CA THR A 29 10.232 -4.084 -7.474 1.00 0.00 C ATOM 442 C THR A 29 9.172 -3.102 -6.995 1.00 0.00 C ATOM 443 O THR A 29 8.048 -3.495 -6.683 1.00 0.00 O ATOM 444 CB THR A 29 9.639 -5.011 -8.538 1.00 0.00 C ATOM 445 OG1 THR A 29 10.636 -5.858 -9.084 1.00 0.00 O ATOM 446 CG2 THR A 29 8.985 -4.270 -9.686 1.00 0.00 C ATOM 0 H THR A 29 10.095 -5.591 -6.024 1.00 0.00 H new ATOM 0 HA THR A 29 11.059 -3.521 -7.907 1.00 0.00 H new ATOM 0 HB THR A 29 8.874 -5.588 -8.018 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.234 -6.443 -9.760 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.586 -4.988 -10.403 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.174 -3.650 -9.304 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.724 -3.638 -10.179 1.00 0.00 H new ATOM 454 N CYS A 30 9.536 -1.827 -6.926 1.00 0.00 N ATOM 455 CA CYS A 30 8.610 -0.803 -6.465 1.00 0.00 C ATOM 456 C CYS A 30 7.993 -0.024 -7.617 1.00 0.00 C ATOM 457 O CYS A 30 8.681 0.701 -8.336 1.00 0.00 O ATOM 458 CB CYS A 30 9.310 0.166 -5.518 1.00 0.00 C ATOM 459 SG CYS A 30 8.178 1.080 -4.446 1.00 0.00 S ATOM 0 H CYS A 30 10.460 -1.480 -7.182 1.00 0.00 H new ATOM 0 HA CYS A 30 7.808 -1.319 -5.938 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.014 -0.390 -4.898 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.893 0.876 -6.105 1.00 0.00 H new ATOM 0 HG CYS A 30 7.628 2.046 -5.119 1.00 0.00 H new ATOM 465 N THR A 31 6.681 -0.157 -7.760 1.00 0.00 N ATOM 466 CA THR A 31 5.945 0.554 -8.790 1.00 0.00 C ATOM 467 C THR A 31 4.941 1.479 -8.112 1.00 0.00 C ATOM 468 O THR A 31 4.545 1.237 -6.972 1.00 0.00 O ATOM 469 CB THR A 31 5.218 -0.429 -9.719 1.00 0.00 C ATOM 470 OG1 THR A 31 4.913 0.175 -10.966 1.00 0.00 O ATOM 471 CG2 THR A 31 3.918 -0.932 -9.139 1.00 0.00 C ATOM 0 H THR A 31 6.104 -0.756 -7.170 1.00 0.00 H new ATOM 0 HA THR A 31 6.638 1.134 -9.399 1.00 0.00 H new ATOM 0 HB THR A 31 5.906 -1.265 -9.845 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.452 -0.473 -11.539 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.450 -1.623 -9.840 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.114 -1.447 -8.199 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.250 -0.090 -8.959 1.00 0.00 H new ATOM 479 N THR A 32 4.525 2.528 -8.797 1.00 0.00 N ATOM 480 CA THR A 32 3.571 3.456 -8.220 1.00 0.00 C ATOM 481 C THR A 32 2.414 3.721 -9.165 1.00 0.00 C ATOM 482 O THR A 32 2.497 3.459 -10.364 1.00 0.00 O ATOM 483 CB THR A 32 4.263 4.756 -7.845 1.00 0.00 C ATOM 484 OG1 THR A 32 4.631 5.476 -9.005 1.00 0.00 O ATOM 485 CG2 THR A 32 5.505 4.532 -7.013 1.00 0.00 C ATOM 0 H THR A 32 4.829 2.757 -9.743 1.00 0.00 H new ATOM 0 HA THR A 32 3.162 3.001 -7.318 1.00 0.00 H new ATOM 0 HB THR A 32 3.545 5.323 -7.253 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.150 6.330 -9.026 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.960 5.493 -6.773 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.237 4.017 -6.091 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.215 3.925 -7.575 1.00 0.00 H new ATOM 493 N PHE A 33 1.329 4.221 -8.604 1.00 0.00 N ATOM 494 CA PHE A 33 0.132 4.503 -9.371 1.00 0.00 C ATOM 495 C PHE A 33 -0.431 5.884 -9.039 1.00 0.00 C ATOM 496 O PHE A 33 0.085 6.589 -8.171 1.00 0.00 O ATOM 497 CB PHE A 33 -0.918 3.432 -9.141 1.00 0.00 C ATOM 498 CG PHE A 33 -0.441 2.021 -9.377 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.545 1.465 -8.580 1.00 0.00 C ATOM 500 CD2 PHE A 33 -1.006 1.236 -10.372 1.00 0.00 C ATOM 501 CE1 PHE A 33 0.962 0.162 -8.771 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.599 -0.070 -10.563 1.00 0.00 C ATOM 503 CZ PHE A 33 0.385 -0.609 -9.763 1.00 0.00 C ATOM 0 H PHE A 33 1.253 4.442 -7.611 1.00 0.00 H new ATOM 0 HA PHE A 33 0.407 4.499 -10.426 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.280 3.512 -8.116 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.767 3.628 -9.796 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.995 2.058 -7.798 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.775 1.652 -11.006 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.738 -0.254 -8.146 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.052 -0.669 -11.339 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.704 -1.630 -9.910 1.00 0.00 H new ATOM 513 N GLU A 34 -1.464 6.273 -9.780 1.00 0.00 N ATOM 514 CA GLU A 34 -2.089 7.588 -9.634 1.00 0.00 C ATOM 515 C GLU A 34 -2.642 7.860 -8.233 1.00 0.00 C ATOM 516 O GLU A 34 -2.378 8.923 -7.671 1.00 0.00 O ATOM 517 CB GLU A 34 -3.225 7.720 -10.647 1.00 0.00 C ATOM 518 CG GLU A 34 -4.250 6.598 -10.556 1.00 0.00 C ATOM 519 CD GLU A 34 -5.430 6.944 -9.672 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.831 8.129 -9.652 1.00 0.00 O ATOM 521 OE2 GLU A 34 -5.956 6.029 -9.000 1.00 0.00 O ATOM 0 H GLU A 34 -1.892 5.689 -10.498 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.304 8.323 -9.811 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.728 8.675 -10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.805 7.738 -11.653 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.610 6.361 -11.557 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.765 5.701 -10.171 1.00 0.00 H new ATOM 528 N ASN A 35 -3.422 6.944 -7.667 1.00 0.00 N ATOM 529 CA ASN A 35 -3.984 7.188 -6.343 1.00 0.00 C ATOM 530 C ASN A 35 -4.304 5.911 -5.591 1.00 0.00 C ATOM 531 O ASN A 35 -3.913 5.745 -4.434 1.00 0.00 O ATOM 532 CB ASN A 35 -5.248 8.043 -6.452 1.00 0.00 C ATOM 533 CG ASN A 35 -4.985 9.515 -6.201 1.00 0.00 C ATOM 534 OD1 ASN A 35 -5.404 10.372 -6.979 1.00 0.00 O ATOM 535 ND2 ASN A 35 -4.290 9.818 -5.111 1.00 0.00 N ATOM 0 H ASN A 35 -3.674 6.051 -8.089 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.218 7.717 -5.776 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.680 7.920 -7.445 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.987 7.683 -5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.085 10.793 -4.892 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.962 9.076 -4.493 1.00 0.00 H new ATOM 542 N GLY A 36 -5.034 5.028 -6.237 1.00 0.00 N ATOM 543 CA GLY A 36 -5.420 3.787 -5.599 1.00 0.00 C ATOM 544 C GLY A 36 -6.171 2.857 -6.524 1.00 0.00 C ATOM 545 O GLY A 36 -5.903 1.657 -6.557 1.00 0.00 O ATOM 0 H GLY A 36 -5.370 5.143 -7.193 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.528 3.281 -5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.042 4.009 -4.732 1.00 0.00 H new ATOM 549 N ASN A 37 -7.115 3.409 -7.275 1.00 0.00 N ATOM 550 CA ASN A 37 -7.909 2.614 -8.200 1.00 0.00 C ATOM 551 C ASN A 37 -7.026 1.995 -9.268 1.00 0.00 C ATOM 552 O ASN A 37 -7.340 0.938 -9.817 1.00 0.00 O ATOM 553 CB ASN A 37 -9.001 3.469 -8.841 1.00 0.00 C ATOM 554 CG ASN A 37 -10.287 3.456 -8.036 1.00 0.00 C ATOM 555 OD1 ASN A 37 -10.817 2.262 -7.790 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -10.794 4.504 -7.636 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.349 4.402 -7.261 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.384 1.810 -7.638 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.646 4.495 -8.939 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.201 3.104 -9.848 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.352 5.398 -7.849 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.656 4.478 -7.092 1.00 0.00 H new ATOM 563 N GLU A 38 -5.914 2.653 -9.555 1.00 0.00 N ATOM 564 CA GLU A 38 -4.981 2.162 -10.550 1.00 0.00 C ATOM 565 C GLU A 38 -4.455 0.773 -10.172 1.00 0.00 C ATOM 566 O GLU A 38 -4.443 -0.134 -11.004 1.00 0.00 O ATOM 567 CB GLU A 38 -3.832 3.149 -10.707 1.00 0.00 C ATOM 568 CG GLU A 38 -3.760 3.793 -12.082 1.00 0.00 C ATOM 569 CD GLU A 38 -3.105 2.895 -13.113 1.00 0.00 C ATOM 570 OE1 GLU A 38 -3.674 1.826 -13.414 1.00 0.00 O ATOM 571 OE2 GLU A 38 -2.024 3.262 -13.620 1.00 0.00 O ATOM 0 H GLU A 38 -5.638 3.529 -9.111 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.502 2.070 -11.503 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.932 3.931 -9.954 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.893 2.633 -10.508 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.767 4.046 -12.414 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.203 4.727 -12.013 1.00 0.00 H new ATOM 578 N VAL A 39 -4.027 0.598 -8.915 1.00 0.00 N ATOM 579 CA VAL A 39 -3.517 -0.702 -8.469 1.00 0.00 C ATOM 580 C VAL A 39 -4.596 -1.771 -8.554 1.00 0.00 C ATOM 581 O VAL A 39 -4.339 -2.898 -8.975 1.00 0.00 O ATOM 582 CB VAL A 39 -2.988 -0.664 -7.024 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.292 -1.971 -6.683 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.045 0.502 -6.835 1.00 0.00 C ATOM 0 H VAL A 39 -4.024 1.327 -8.201 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.691 -0.944 -9.139 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.834 -0.534 -6.349 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.923 -1.930 -5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.998 -2.796 -6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.455 -2.126 -7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.681 0.513 -5.808 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.201 0.402 -7.518 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.572 1.433 -7.043 1.00 0.00 H new ATOM 594 N LEU A 40 -5.804 -1.408 -8.146 1.00 0.00 N ATOM 595 CA LEU A 40 -6.935 -2.328 -8.167 1.00 0.00 C ATOM 596 C LEU A 40 -7.089 -2.964 -9.547 1.00 0.00 C ATOM 597 O LEU A 40 -7.335 -4.165 -9.665 1.00 0.00 O ATOM 598 CB LEU A 40 -8.214 -1.587 -7.779 1.00 0.00 C ATOM 599 CG LEU A 40 -8.099 -0.708 -6.529 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.430 -0.043 -6.210 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.614 -1.523 -5.337 1.00 0.00 C ATOM 0 H LEU A 40 -6.028 -0.477 -7.794 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.751 -3.123 -7.445 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.523 -0.962 -8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.006 -2.319 -7.619 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.366 0.072 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.323 0.576 -5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.736 0.581 -7.050 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.186 -0.808 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.540 -0.878 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.320 -2.329 -5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.634 -1.946 -5.560 1.00 0.00 H new ATOM 613 N ALA A 41 -6.934 -2.152 -10.585 1.00 0.00 N ATOM 614 CA ALA A 41 -7.047 -2.635 -11.955 1.00 0.00 C ATOM 615 C ALA A 41 -5.838 -3.474 -12.337 1.00 0.00 C ATOM 616 O ALA A 41 -5.969 -4.573 -12.875 1.00 0.00 O ATOM 617 CB ALA A 41 -7.206 -1.468 -12.915 1.00 0.00 C ATOM 0 H ALA A 41 -6.730 -1.156 -10.504 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.933 -3.267 -12.021 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.289 -1.844 -13.935 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.106 -0.908 -12.661 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.337 -0.814 -12.839 1.00 0.00 H new ATOM 623 N ALA A 42 -4.662 -2.941 -12.050 1.00 0.00 N ATOM 624 CA ALA A 42 -3.409 -3.624 -12.353 1.00 0.00 C ATOM 625 C ALA A 42 -3.309 -4.942 -11.597 1.00 0.00 C ATOM 626 O ALA A 42 -2.711 -5.906 -12.078 1.00 0.00 O ATOM 627 CB ALA A 42 -2.221 -2.730 -12.015 1.00 0.00 C ATOM 0 H ALA A 42 -4.546 -2.031 -11.604 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.393 -3.842 -13.421 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.294 -3.254 -12.247 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.276 -1.814 -12.603 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.242 -2.482 -10.954 1.00 0.00 H new ATOM 633 N LEU A 43 -3.894 -4.974 -10.408 1.00 0.00 N ATOM 634 CA LEU A 43 -3.870 -6.166 -9.576 1.00 0.00 C ATOM 635 C LEU A 43 -4.713 -7.287 -10.176 1.00 0.00 C ATOM 636 O LEU A 43 -4.523 -8.459 -9.853 1.00 0.00 O ATOM 637 CB LEU A 43 -4.370 -5.836 -8.173 1.00 0.00 C ATOM 638 CG LEU A 43 -3.305 -5.305 -7.219 1.00 0.00 C ATOM 639 CD1 LEU A 43 -3.952 -4.591 -6.042 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.427 -6.442 -6.730 1.00 0.00 C ATOM 0 H LEU A 43 -4.393 -4.184 -9.998 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.838 -6.513 -9.523 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.167 -5.097 -8.252 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.810 -6.734 -7.739 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.683 -4.589 -7.756 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.177 -4.219 -5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.549 -3.755 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.595 -5.287 -5.503 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.670 -6.051 -6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.040 -7.176 -6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.939 -6.917 -7.581 1.00 0.00 H new ATOM 652 N ALA A 44 -5.646 -6.919 -11.046 1.00 0.00 N ATOM 653 CA ALA A 44 -6.522 -7.893 -11.686 1.00 0.00 C ATOM 654 C ALA A 44 -5.729 -8.942 -12.461 1.00 0.00 C ATOM 655 O ALA A 44 -6.239 -10.022 -12.757 1.00 0.00 O ATOM 656 CB ALA A 44 -7.507 -7.186 -12.607 1.00 0.00 C ATOM 0 H ALA A 44 -5.816 -5.953 -11.325 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.073 -8.411 -10.902 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.156 -7.923 -13.080 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.111 -6.489 -12.027 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.959 -6.639 -13.375 1.00 0.00 H new ATOM 662 N SER A 45 -4.484 -8.618 -12.792 1.00 0.00 N ATOM 663 CA SER A 45 -3.631 -9.530 -13.536 1.00 0.00 C ATOM 664 C SER A 45 -2.291 -9.761 -12.836 1.00 0.00 C ATOM 665 O SER A 45 -1.458 -10.524 -13.323 1.00 0.00 O ATOM 666 CB SER A 45 -3.397 -8.997 -14.950 1.00 0.00 C ATOM 667 OG SER A 45 -4.269 -9.613 -15.880 1.00 0.00 O ATOM 0 H SER A 45 -4.045 -7.728 -12.555 1.00 0.00 H new ATOM 0 HA SER A 45 -4.146 -10.489 -13.588 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.549 -7.918 -14.965 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.363 -9.177 -15.243 1.00 0.00 H new ATOM 0 HG SER A 45 -4.099 -9.253 -16.776 1.00 0.00 H new ATOM 673 N LYS A 46 -2.081 -9.104 -11.696 1.00 0.00 N ATOM 674 CA LYS A 46 -0.838 -9.255 -10.953 1.00 0.00 C ATOM 675 C LYS A 46 -1.051 -8.974 -9.466 1.00 0.00 C ATOM 676 O LYS A 46 -1.949 -8.228 -9.087 1.00 0.00 O ATOM 677 CB LYS A 46 0.233 -8.315 -11.512 1.00 0.00 C ATOM 678 CG LYS A 46 1.519 -9.020 -11.914 1.00 0.00 C ATOM 679 CD LYS A 46 2.737 -8.357 -11.288 1.00 0.00 C ATOM 680 CE LYS A 46 4.026 -8.779 -11.975 1.00 0.00 C ATOM 681 NZ LYS A 46 4.885 -7.608 -12.311 1.00 0.00 N ATOM 0 H LYS A 46 -2.754 -8.466 -11.271 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.502 -10.286 -11.065 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.171 -7.794 -12.380 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.464 -7.557 -10.764 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.474 -10.065 -11.607 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.616 -9.011 -13.000 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.632 -7.274 -11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.788 -8.615 -10.230 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.577 -9.460 -11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.789 -9.329 -12.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.754 -7.937 -12.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.369 -6.971 -12.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.133 -7.098 -11.439 1.00 0.00 H new ATOM 695 N THR A 47 -0.217 -9.575 -8.626 1.00 0.00 N ATOM 696 CA THR A 47 -0.319 -9.380 -7.191 1.00 0.00 C ATOM 697 C THR A 47 1.060 -9.236 -6.553 1.00 0.00 C ATOM 698 O THR A 47 1.830 -10.197 -6.507 1.00 0.00 O ATOM 699 CB THR A 47 -1.072 -10.545 -6.547 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.394 -10.624 -7.047 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.157 -10.444 -5.039 1.00 0.00 C ATOM 0 H THR A 47 0.535 -10.200 -8.916 1.00 0.00 H new ATOM 0 HA THR A 47 -0.873 -8.457 -7.019 1.00 0.00 H new ATOM 0 HB THR A 47 -0.498 -11.436 -6.803 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.859 -11.376 -6.625 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.704 -11.302 -4.647 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.152 -10.431 -4.618 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.677 -9.526 -4.765 1.00 0.00 H new ATOM 709 N PRO A 48 1.392 -8.042 -6.031 1.00 0.00 N ATOM 710 CA PRO A 48 2.679 -7.814 -5.382 1.00 0.00 C ATOM 711 C PRO A 48 2.702 -8.399 -3.979 1.00 0.00 C ATOM 712 O PRO A 48 1.654 -8.716 -3.414 1.00 0.00 O ATOM 713 CB PRO A 48 2.782 -6.293 -5.340 1.00 0.00 C ATOM 714 CG PRO A 48 1.371 -5.820 -5.271 1.00 0.00 C ATOM 715 CD PRO A 48 0.544 -6.834 -6.016 1.00 0.00 C ATOM 0 HA PRO A 48 3.509 -8.288 -5.907 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.354 -5.959 -4.475 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.287 -5.906 -6.225 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.040 -5.735 -4.236 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.271 -4.832 -5.720 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.407 -7.019 -5.516 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.312 -6.496 -7.026 1.00 0.00 H new ATOM 723 N ASP A 49 3.892 -8.545 -3.415 1.00 0.00 N ATOM 724 CA ASP A 49 4.021 -9.096 -2.076 1.00 0.00 C ATOM 725 C ASP A 49 3.591 -8.074 -1.029 1.00 0.00 C ATOM 726 O ASP A 49 3.182 -8.439 0.072 1.00 0.00 O ATOM 727 CB ASP A 49 5.458 -9.547 -1.810 1.00 0.00 C ATOM 728 CG ASP A 49 5.924 -10.614 -2.782 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.315 -10.259 -3.914 1.00 0.00 O ATOM 730 OD2 ASP A 49 5.900 -11.806 -2.410 1.00 0.00 O ATOM 0 H ASP A 49 4.774 -8.292 -3.860 1.00 0.00 H new ATOM 0 HA ASP A 49 3.366 -9.964 -2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.123 -8.686 -1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.532 -9.930 -0.792 1.00 0.00 H new ATOM 735 N VAL A 50 3.691 -6.792 -1.377 1.00 0.00 N ATOM 736 CA VAL A 50 3.318 -5.724 -0.468 1.00 0.00 C ATOM 737 C VAL A 50 2.705 -4.560 -1.251 1.00 0.00 C ATOM 738 O VAL A 50 2.904 -4.458 -2.462 1.00 0.00 O ATOM 739 CB VAL A 50 4.554 -5.265 0.332 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.690 -4.898 -0.604 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.222 -4.109 1.252 1.00 0.00 C ATOM 0 H VAL A 50 4.029 -6.473 -2.285 1.00 0.00 H new ATOM 0 HA VAL A 50 2.570 -6.090 0.236 1.00 0.00 H new ATOM 0 HB VAL A 50 4.875 -6.100 0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.553 -4.577 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.961 -5.766 -1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.373 -4.087 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.116 -3.812 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.861 -3.267 0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.449 -4.416 1.957 1.00 0.00 H new ATOM 751 N LEU A 51 1.944 -3.698 -0.574 1.00 0.00 N ATOM 752 CA LEU A 51 1.299 -2.576 -1.255 1.00 0.00 C ATOM 753 C LEU A 51 1.056 -1.396 -0.318 1.00 0.00 C ATOM 754 O LEU A 51 0.976 -1.554 0.899 1.00 0.00 O ATOM 755 CB LEU A 51 -0.035 -3.030 -1.867 1.00 0.00 C ATOM 756 CG LEU A 51 -0.788 -1.966 -2.675 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.195 -1.830 -4.070 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.271 -2.302 -2.754 1.00 0.00 C ATOM 0 H LEU A 51 1.762 -3.753 0.428 1.00 0.00 H new ATOM 0 HA LEU A 51 1.976 -2.242 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.155 -3.886 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.684 -3.377 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.680 -1.010 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.744 -1.070 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.852 -1.538 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.268 -2.785 -4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.788 -1.535 -3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.400 -3.270 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.689 -2.342 -1.748 1.00 0.00 H new ATOM 770 N LEU A 52 0.957 -0.211 -0.916 1.00 0.00 N ATOM 771 CA LEU A 52 0.743 1.027 -0.175 1.00 0.00 C ATOM 772 C LEU A 52 -0.313 1.899 -0.881 1.00 0.00 C ATOM 773 O LEU A 52 -0.199 2.148 -2.077 1.00 0.00 O ATOM 774 CB LEU A 52 2.076 1.775 -0.062 1.00 0.00 C ATOM 775 CG LEU A 52 3.141 1.091 0.802 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.500 1.057 0.105 1.00 0.00 C ATOM 777 CD2 LEU A 52 3.266 1.803 2.131 1.00 0.00 C ATOM 0 H LEU A 52 1.023 -0.083 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 52 0.372 0.797 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.481 1.916 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.883 2.767 0.346 1.00 0.00 H new ATOM 0 HG LEU A 52 2.822 0.062 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.227 0.564 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.415 0.507 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.829 2.076 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.025 1.310 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.554 2.841 1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.309 1.772 2.652 1.00 0.00 H new ATOM 789 N SER A 53 -1.350 2.337 -0.145 1.00 0.00 N ATOM 790 CA SER A 53 -2.438 3.149 -0.731 1.00 0.00 C ATOM 791 C SER A 53 -2.386 4.627 -0.320 1.00 0.00 C ATOM 792 O SER A 53 -2.101 4.957 0.831 1.00 0.00 O ATOM 793 CB SER A 53 -3.797 2.565 -0.337 1.00 0.00 C ATOM 794 OG SER A 53 -4.857 3.356 -0.845 1.00 0.00 O ATOM 0 H SER A 53 -1.460 2.145 0.851 1.00 0.00 H new ATOM 0 HA SER A 53 -2.299 3.111 -1.812 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.883 1.547 -0.718 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.870 2.506 0.749 1.00 0.00 H new ATOM 0 HG SER A 53 -5.715 2.962 -0.582 1.00 0.00 H new ATOM 800 N ASP A 54 -2.680 5.510 -1.285 1.00 0.00 N ATOM 801 CA ASP A 54 -2.672 6.960 -1.057 1.00 0.00 C ATOM 802 C ASP A 54 -3.747 7.405 -0.088 1.00 0.00 C ATOM 803 O ASP A 54 -3.532 8.337 0.685 1.00 0.00 O ATOM 804 CB ASP A 54 -2.846 7.725 -2.366 1.00 0.00 C ATOM 805 CG ASP A 54 -2.630 9.219 -2.179 1.00 0.00 C ATOM 806 OD1 ASP A 54 -3.342 9.824 -1.347 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.745 9.784 -2.854 1.00 0.00 O ATOM 0 H ASP A 54 -2.928 5.241 -2.237 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.700 7.186 -0.620 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.141 7.345 -3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.847 7.549 -2.760 1.00 0.00 H new ATOM 812 N ILE A 55 -4.902 6.756 -0.140 1.00 0.00 N ATOM 813 CA ILE A 55 -6.014 7.101 0.744 1.00 0.00 C ATOM 814 C ILE A 55 -6.206 8.628 0.804 1.00 0.00 C ATOM 815 O ILE A 55 -5.599 9.310 1.627 1.00 0.00 O ATOM 816 CB ILE A 55 -5.753 6.498 2.155 1.00 0.00 C ATOM 817 CG1 ILE A 55 -6.895 6.769 3.148 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.434 6.989 2.718 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.010 8.208 3.605 1.00 0.00 C ATOM 0 H ILE A 55 -5.096 5.988 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.939 6.678 0.352 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.704 5.417 2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.837 6.473 2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.755 6.134 4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.275 6.553 3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.622 6.691 2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.456 8.076 2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.842 8.303 4.303 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.086 8.508 4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.185 8.851 2.742 1.00 0.00 H new ATOM 831 N ARG A 56 -7.037 9.169 -0.094 1.00 0.00 N ATOM 832 CA ARG A 56 -7.270 10.615 -0.131 1.00 0.00 C ATOM 833 C ARG A 56 -8.346 11.011 -1.148 1.00 0.00 C ATOM 834 O ARG A 56 -8.047 11.295 -2.307 1.00 0.00 O ATOM 835 CB ARG A 56 -5.968 11.354 -0.447 1.00 0.00 C ATOM 836 CG ARG A 56 -5.885 12.743 0.174 1.00 0.00 C ATOM 837 CD ARG A 56 -5.654 13.819 -0.878 1.00 0.00 C ATOM 838 NE ARG A 56 -4.753 14.869 -0.403 1.00 0.00 N ATOM 839 CZ ARG A 56 -5.116 16.136 -0.197 1.00 0.00 C ATOM 840 NH1 ARG A 56 -6.367 16.529 -0.411 1.00 0.00 N ATOM 841 NH2 ARG A 56 -4.220 17.018 0.228 1.00 0.00 N ATOM 0 H ARG A 56 -7.552 8.636 -0.795 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.630 10.902 0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.127 10.757 -0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.864 11.443 -1.528 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.807 12.955 0.715 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.075 12.768 0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.237 13.363 -1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.610 14.262 -1.159 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.783 14.615 -0.217 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.063 15.859 -0.737 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.631 17.501 -0.249 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.257 16.726 0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.494 17.988 0.386 1.00 0.00 H new ATOM 855 N MET A 57 -9.593 11.053 -0.685 1.00 0.00 N ATOM 856 CA MET A 57 -10.731 11.445 -1.519 1.00 0.00 C ATOM 857 C MET A 57 -10.844 10.639 -2.824 1.00 0.00 C ATOM 858 O MET A 57 -11.094 11.210 -3.886 1.00 0.00 O ATOM 859 CB MET A 57 -10.643 12.942 -1.838 1.00 0.00 C ATOM 860 CG MET A 57 -11.774 13.759 -1.234 1.00 0.00 C ATOM 861 SD MET A 57 -13.116 14.060 -2.399 1.00 0.00 S ATOM 862 CE MET A 57 -14.235 15.021 -1.384 1.00 0.00 C ATOM 0 H MET A 57 -9.845 10.818 0.275 1.00 0.00 H new ATOM 0 HA MET A 57 -11.631 11.227 -0.943 1.00 0.00 H new ATOM 0 HB2 MET A 57 -9.691 13.328 -1.472 1.00 0.00 H new ATOM 0 HB3 MET A 57 -10.647 13.076 -2.920 1.00 0.00 H new ATOM 0 HG2 MET A 57 -12.167 13.238 -0.361 1.00 0.00 H new ATOM 0 HG3 MET A 57 -11.381 14.714 -0.885 1.00 0.00 H new ATOM 0 HE1 MET A 57 -15.118 15.285 -1.966 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.535 14.433 -0.516 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.734 15.930 -1.051 1.00 0.00 H new ATOM 872 N PRO A 58 -10.689 9.305 -2.773 1.00 0.00 N ATOM 873 CA PRO A 58 -10.804 8.454 -3.955 1.00 0.00 C ATOM 874 C PRO A 58 -12.241 7.980 -4.187 1.00 0.00 C ATOM 875 O PRO A 58 -12.811 8.178 -5.260 1.00 0.00 O ATOM 876 CB PRO A 58 -9.909 7.275 -3.597 1.00 0.00 C ATOM 877 CG PRO A 58 -10.006 7.156 -2.109 1.00 0.00 C ATOM 878 CD PRO A 58 -10.407 8.512 -1.568 1.00 0.00 C ATOM 0 HA PRO A 58 -10.524 8.970 -4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.243 6.362 -4.089 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.881 7.449 -3.913 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.741 6.400 -1.832 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.051 6.842 -1.687 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.282 8.441 -0.922 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.608 8.957 -0.975 1.00 0.00 H new ATOM 886 N GLY A 59 -12.812 7.357 -3.161 1.00 0.00 N ATOM 887 CA GLY A 59 -14.173 6.855 -3.225 1.00 0.00 C ATOM 888 C GLY A 59 -14.853 6.904 -1.866 1.00 0.00 C ATOM 889 O GLY A 59 -16.081 6.867 -1.773 1.00 0.00 O ATOM 0 H GLY A 59 -12.345 7.189 -2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.746 7.445 -3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.166 5.829 -3.592 1.00 0.00 H new ATOM 893 N MET A 60 -14.042 6.990 -0.812 1.00 0.00 N ATOM 894 CA MET A 60 -14.537 7.051 0.554 1.00 0.00 C ATOM 895 C MET A 60 -13.438 7.545 1.489 1.00 0.00 C ATOM 896 O MET A 60 -12.898 6.783 2.301 1.00 0.00 O ATOM 897 CB MET A 60 -15.049 5.685 1.018 1.00 0.00 C ATOM 898 CG MET A 60 -15.895 5.752 2.279 1.00 0.00 C ATOM 899 SD MET A 60 -17.496 6.535 2.010 1.00 0.00 S ATOM 900 CE MET A 60 -18.497 5.681 3.226 1.00 0.00 C ATOM 0 H MET A 60 -13.025 7.019 -0.886 1.00 0.00 H new ATOM 0 HA MET A 60 -15.371 7.752 0.581 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.638 5.236 0.218 1.00 0.00 H new ATOM 0 HB3 MET A 60 -14.198 5.028 1.195 1.00 0.00 H new ATOM 0 HG2 MET A 60 -16.050 4.743 2.661 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.351 6.303 3.046 1.00 0.00 H new ATOM 0 HE1 MET A 60 -19.520 6.056 3.183 1.00 0.00 H new ATOM 0 HE2 MET A 60 -18.493 4.612 3.014 1.00 0.00 H new ATOM 0 HE3 MET A 60 -18.088 5.855 4.221 1.00 0.00 H new ATOM 910 N ASP A 61 -13.102 8.827 1.348 1.00 0.00 N ATOM 911 CA ASP A 61 -12.071 9.468 2.165 1.00 0.00 C ATOM 912 C ASP A 61 -10.675 8.941 1.853 1.00 0.00 C ATOM 913 O ASP A 61 -9.676 9.603 2.142 1.00 0.00 O ATOM 914 CB ASP A 61 -12.376 9.258 3.649 1.00 0.00 C ATOM 915 CG ASP A 61 -12.498 10.563 4.409 1.00 0.00 C ATOM 916 OD1 ASP A 61 -11.496 11.304 4.485 1.00 0.00 O ATOM 917 OD2 ASP A 61 -13.599 10.844 4.931 1.00 0.00 O ATOM 0 H ASP A 61 -13.535 9.449 0.666 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.085 10.531 1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.304 8.695 3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.587 8.654 4.096 1.00 0.00 H new ATOM 922 N GLY A 62 -10.604 7.747 1.292 1.00 0.00 N ATOM 923 CA GLY A 62 -9.326 7.152 0.985 1.00 0.00 C ATOM 924 C GLY A 62 -9.322 5.676 1.295 1.00 0.00 C ATOM 925 O GLY A 62 -8.686 4.883 0.600 1.00 0.00 O ATOM 0 H GLY A 62 -11.413 7.178 1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.095 7.305 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.544 7.649 1.559 1.00 0.00 H new ATOM 929 N LEU A 63 -10.038 5.312 2.351 1.00 0.00 N ATOM 930 CA LEU A 63 -10.123 3.927 2.769 1.00 0.00 C ATOM 931 C LEU A 63 -10.988 3.118 1.810 1.00 0.00 C ATOM 932 O LEU A 63 -10.934 1.886 1.800 1.00 0.00 O ATOM 933 CB LEU A 63 -10.657 3.836 4.196 1.00 0.00 C ATOM 934 CG LEU A 63 -9.828 4.595 5.235 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.329 6.025 5.393 1.00 0.00 C ATOM 936 CD2 LEU A 63 -9.846 3.862 6.565 1.00 0.00 C ATOM 0 H LEU A 63 -10.568 5.962 2.932 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.120 3.501 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.677 4.219 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.706 2.786 4.486 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.797 4.642 4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.723 6.543 6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.253 6.545 4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.369 6.012 5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.252 4.415 7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.873 3.780 6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.426 2.864 6.436 1.00 0.00 H new ATOM 948 N ALA A 64 -11.775 3.809 0.988 1.00 0.00 N ATOM 949 CA ALA A 64 -12.624 3.129 0.016 1.00 0.00 C ATOM 950 C ALA A 64 -11.792 2.183 -0.837 1.00 0.00 C ATOM 951 O ALA A 64 -12.258 1.122 -1.253 1.00 0.00 O ATOM 952 CB ALA A 64 -13.326 4.142 -0.868 1.00 0.00 C ATOM 0 H ALA A 64 -11.842 4.827 0.976 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.375 2.551 0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.956 3.621 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.943 4.796 -0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.584 4.738 -1.399 1.00 0.00 H new ATOM 958 N LEU A 65 -10.551 2.580 -1.086 1.00 0.00 N ATOM 959 CA LEU A 65 -9.637 1.776 -1.880 1.00 0.00 C ATOM 960 C LEU A 65 -9.401 0.425 -1.219 1.00 0.00 C ATOM 961 O LEU A 65 -9.267 -0.589 -1.898 1.00 0.00 O ATOM 962 CB LEU A 65 -8.316 2.520 -2.061 1.00 0.00 C ATOM 963 CG LEU A 65 -8.430 3.832 -2.830 1.00 0.00 C ATOM 964 CD1 LEU A 65 -7.179 4.672 -2.633 1.00 0.00 C ATOM 965 CD2 LEU A 65 -8.685 3.560 -4.307 1.00 0.00 C ATOM 0 H LEU A 65 -10.155 3.457 -0.748 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.082 1.602 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.891 2.725 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.615 1.868 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.278 4.396 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.276 5.605 -3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.052 4.892 -1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.311 4.122 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.764 4.506 -4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.860 2.978 -4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.614 3.001 -4.419 1.00 0.00 H new ATOM 977 N LEU A 66 -9.367 0.420 0.111 1.00 0.00 N ATOM 978 CA LEU A 66 -9.162 -0.813 0.865 1.00 0.00 C ATOM 979 C LEU A 66 -10.286 -1.794 0.580 1.00 0.00 C ATOM 980 O LEU A 66 -10.050 -2.979 0.346 1.00 0.00 O ATOM 981 CB LEU A 66 -9.090 -0.527 2.367 1.00 0.00 C ATOM 982 CG LEU A 66 -7.784 0.098 2.851 1.00 0.00 C ATOM 983 CD1 LEU A 66 -6.632 -0.882 2.690 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.506 1.397 2.103 1.00 0.00 C ATOM 0 H LEU A 66 -9.479 1.254 0.688 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.215 -1.251 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.912 0.137 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.248 -1.461 2.906 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.882 0.332 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.709 -0.419 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.833 -1.779 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.527 -1.151 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.571 1.830 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.427 1.192 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.321 2.099 2.278 1.00 0.00 H new ATOM 996 N LYS A 67 -11.512 -1.285 0.594 1.00 0.00 N ATOM 997 CA LYS A 67 -12.682 -2.110 0.328 1.00 0.00 C ATOM 998 C LYS A 67 -12.536 -2.835 -1.006 1.00 0.00 C ATOM 999 O LYS A 67 -12.874 -4.009 -1.128 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.939 -1.248 0.311 1.00 0.00 C ATOM 1001 CG LYS A 67 -15.222 -2.056 0.276 1.00 0.00 C ATOM 1002 CD LYS A 67 -16.444 -1.164 0.393 1.00 0.00 C ATOM 1003 CE LYS A 67 -17.705 -1.908 -0.007 1.00 0.00 C ATOM 1004 NZ LYS A 67 -18.804 -0.980 -0.392 1.00 0.00 N ATOM 0 H LYS A 67 -11.721 -0.305 0.787 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.766 -2.852 1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.945 -0.609 1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.908 -0.591 -0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.271 -2.622 -0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.220 -2.780 1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.539 -0.806 1.418 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.319 -0.286 -0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.484 -2.573 -0.842 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.034 -2.535 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.646 -1.530 -0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.034 -0.362 0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.501 -0.399 -1.200 1.00 0.00 H new ATOM 1018 N GLN A 68 -12.026 -2.123 -2.003 1.00 0.00 N ATOM 1019 CA GLN A 68 -11.825 -2.696 -3.329 1.00 0.00 C ATOM 1020 C GLN A 68 -10.738 -3.766 -3.293 1.00 0.00 C ATOM 1021 O GLN A 68 -10.784 -4.742 -4.041 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.418 -1.608 -4.325 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.540 -0.665 -4.728 1.00 0.00 C ATOM 1024 CD GLN A 68 -13.719 -1.382 -5.357 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.521 -2.007 -4.665 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -13.832 -1.290 -6.679 1.00 0.00 N ATOM 0 H GLN A 68 -11.744 -1.147 -1.919 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.766 -3.147 -3.645 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.607 -1.022 -3.892 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.023 -2.085 -5.222 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.881 -0.118 -3.849 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.153 0.072 -5.431 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.143 -0.761 -7.214 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.607 -1.749 -7.158 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.750 -3.557 -2.429 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.632 -4.482 -2.304 1.00 0.00 C ATOM 1037 C ILE A 69 -9.083 -5.854 -1.810 1.00 0.00 C ATOM 1038 O ILE A 69 -8.573 -6.883 -2.256 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.542 -3.900 -1.371 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -7.002 -2.598 -1.967 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.402 -4.888 -1.159 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.101 -1.822 -1.031 1.00 0.00 C ATOM 0 H ILE A 69 -9.702 -2.752 -1.804 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.207 -4.615 -3.299 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.995 -3.702 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.450 -2.829 -2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.842 -1.966 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.655 -4.446 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.791 -5.801 -0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.943 -5.125 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.759 -0.913 -1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.654 -1.559 -0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.240 -2.435 -0.763 1.00 0.00 H new ATOM 1054 N LYS A 70 -10.031 -5.860 -0.892 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.552 -7.101 -0.333 1.00 0.00 C ATOM 1056 C LYS A 70 -11.542 -7.777 -1.280 1.00 0.00 C ATOM 1057 O LYS A 70 -11.760 -8.987 -1.206 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.230 -6.829 1.009 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.508 -6.016 0.886 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.724 -6.794 1.356 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.950 -5.901 1.441 1.00 0.00 C ATOM 1062 NZ LYS A 70 -16.209 -6.652 1.184 1.00 0.00 N ATOM 0 H LYS A 70 -10.461 -5.016 -0.513 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.708 -7.776 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.458 -7.779 1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.533 -6.300 1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.414 -5.102 1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.648 -5.716 -0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.919 -7.618 0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.522 -7.233 2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.997 -5.443 2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.858 -5.090 0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.020 -6.004 1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.177 -7.068 0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.311 -7.410 1.889 1.00 0.00 H new ATOM 1076 N GLN A 71 -12.155 -6.987 -2.149 1.00 0.00 N ATOM 1077 CA GLN A 71 -13.138 -7.499 -3.087 1.00 0.00 C ATOM 1078 C GLN A 71 -12.484 -8.030 -4.362 1.00 0.00 C ATOM 1079 O GLN A 71 -12.969 -8.987 -4.964 1.00 0.00 O ATOM 1080 CB GLN A 71 -14.166 -6.400 -3.404 1.00 0.00 C ATOM 1081 CG GLN A 71 -14.921 -6.586 -4.715 1.00 0.00 C ATOM 1082 CD GLN A 71 -14.593 -5.515 -5.741 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -13.348 -5.043 -5.739 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 -15.450 -5.114 -6.526 1.00 0.00 N flip ATOM 0 H GLN A 71 -11.986 -5.984 -2.223 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.650 -8.343 -2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -14.888 -6.353 -2.589 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.652 -5.439 -3.431 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.683 -7.565 -5.130 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.993 -6.576 -4.516 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -16.393 -5.502 -6.494 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.218 -4.393 -7.209 1.00 0.00 H new ATOM 1093 N ARG A 72 -11.401 -7.396 -4.777 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.707 -7.801 -5.999 1.00 0.00 C ATOM 1095 C ARG A 72 -9.550 -8.755 -5.719 1.00 0.00 C ATOM 1096 O ARG A 72 -9.162 -9.537 -6.587 1.00 0.00 O ATOM 1097 CB ARG A 72 -10.202 -6.573 -6.757 1.00 0.00 C ATOM 1098 CG ARG A 72 -11.198 -6.036 -7.770 1.00 0.00 C ATOM 1099 CD ARG A 72 -11.086 -6.759 -9.102 1.00 0.00 C ATOM 1100 NE ARG A 72 -10.975 -5.827 -10.218 1.00 0.00 N ATOM 1101 CZ ARG A 72 -11.227 -6.153 -11.482 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -11.609 -7.386 -11.792 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -11.100 -5.243 -12.435 1.00 0.00 N ATOM 0 H ARG A 72 -10.981 -6.603 -4.293 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.430 -8.336 -6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.964 -5.786 -6.041 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.275 -6.828 -7.270 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.210 -6.146 -7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.028 -4.970 -7.919 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.215 -7.414 -9.088 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.960 -7.394 -9.245 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.687 -4.869 -10.017 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.710 -8.088 -11.059 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.801 -7.631 -12.763 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.809 -4.294 -12.199 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.293 -5.491 -13.406 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.994 -8.687 -4.518 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.874 -9.552 -4.154 1.00 0.00 C ATOM 1119 C HIS A 73 -8.162 -10.318 -2.864 1.00 0.00 C ATOM 1120 O HIS A 73 -9.074 -9.970 -2.115 1.00 0.00 O ATOM 1121 CB HIS A 73 -6.588 -8.735 -4.011 1.00 0.00 C ATOM 1122 CG HIS A 73 -6.642 -7.415 -4.717 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -6.721 -6.163 -4.225 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -6.648 -7.287 -6.090 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -6.775 -5.304 -5.292 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -6.730 -6.006 -6.408 1.00 0.00 N flip ATOM 0 H HIS A 73 -9.295 -8.048 -3.782 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.741 -10.279 -4.955 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.390 -8.565 -2.953 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.752 -9.315 -4.403 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.594 -8.104 -6.794 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.843 -4.228 -5.229 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.754 -5.626 -7.354 1.00 0.00 H new ATOM 1135 N PRO A 74 -7.388 -11.385 -2.598 1.00 0.00 N ATOM 1136 CA PRO A 74 -7.569 -12.212 -1.403 1.00 0.00 C ATOM 1137 C PRO A 74 -7.121 -11.510 -0.122 1.00 0.00 C ATOM 1138 O PRO A 74 -7.946 -10.965 0.613 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.706 -13.445 -1.681 1.00 0.00 C ATOM 1140 CG PRO A 74 -5.680 -12.998 -2.667 1.00 0.00 C ATOM 1141 CD PRO A 74 -6.288 -11.868 -3.453 1.00 0.00 C ATOM 0 HA PRO A 74 -8.620 -12.446 -1.232 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.239 -13.811 -0.767 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.306 -14.262 -2.082 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.774 -12.670 -2.158 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.396 -13.818 -3.327 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.560 -11.081 -3.648 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.656 -12.209 -4.421 1.00 0.00 H new ATOM 1149 N MET A 75 -5.820 -11.528 0.153 1.00 0.00 N ATOM 1150 CA MET A 75 -5.290 -10.895 1.352 1.00 0.00 C ATOM 1151 C MET A 75 -3.990 -10.159 1.056 1.00 0.00 C ATOM 1152 O MET A 75 -3.002 -10.304 1.777 1.00 0.00 O ATOM 1153 CB MET A 75 -5.066 -11.939 2.451 1.00 0.00 C ATOM 1154 CG MET A 75 -6.352 -12.539 2.994 1.00 0.00 C ATOM 1155 SD MET A 75 -6.688 -14.181 2.330 1.00 0.00 S ATOM 1156 CE MET A 75 -7.958 -14.745 3.460 1.00 0.00 C ATOM 0 H MET A 75 -5.117 -11.973 -0.437 1.00 0.00 H new ATOM 0 HA MET A 75 -6.022 -10.166 1.699 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.440 -12.740 2.057 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.516 -11.478 3.271 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.291 -12.597 4.081 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.185 -11.878 2.756 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.273 -15.751 3.181 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.562 -14.757 4.476 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.813 -14.071 3.412 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.000 -9.364 -0.006 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.826 -8.598 -0.396 1.00 0.00 C ATOM 1168 C LEU A 76 -2.461 -7.578 0.682 1.00 0.00 C ATOM 1169 O LEU A 76 -3.247 -6.679 0.982 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.083 -7.882 -1.722 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.946 -6.981 -2.201 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.017 -7.752 -3.121 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -2.501 -5.754 -2.907 1.00 0.00 C ATOM 0 H LEU A 76 -4.810 -9.233 -0.613 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.991 -9.289 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.281 -8.631 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.986 -7.280 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.376 -6.648 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.211 -7.099 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.596 -8.602 -2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.576 -8.110 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.677 -5.123 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.092 -6.066 -3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.132 -5.192 -2.218 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.261 -7.696 1.280 1.00 0.00 N ATOM 1186 CA PRO A 77 -0.814 -6.767 2.320 1.00 0.00 C ATOM 1187 C PRO A 77 -0.863 -5.319 1.847 1.00 0.00 C ATOM 1188 O PRO A 77 -0.192 -4.950 0.883 1.00 0.00 O ATOM 1189 CB PRO A 77 0.635 -7.184 2.589 1.00 0.00 C ATOM 1190 CG PRO A 77 0.733 -8.594 2.112 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.253 -8.729 0.984 1.00 0.00 C ATOM 0 HA PRO A 77 -1.451 -6.812 3.204 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.335 -6.539 2.058 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.875 -7.110 3.650 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.744 -8.820 1.773 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.502 -9.293 2.916 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.220 -8.562 0.016 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.696 -9.725 0.955 1.00 0.00 H new ATOM 1199 N VAL A 78 -1.661 -4.500 2.524 1.00 0.00 N ATOM 1200 CA VAL A 78 -1.786 -3.094 2.156 1.00 0.00 C ATOM 1201 C VAL A 78 -1.302 -2.180 3.270 1.00 0.00 C ATOM 1202 O VAL A 78 -1.566 -2.415 4.450 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.236 -2.709 1.809 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.262 -1.457 0.941 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -3.950 -3.861 1.120 1.00 0.00 C ATOM 0 H VAL A 78 -2.227 -4.782 3.324 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.161 -2.963 1.273 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.765 -2.493 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.294 -1.199 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.796 -0.632 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.714 -1.643 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.973 -3.566 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.425 -4.116 0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.965 -4.727 1.781 1.00 0.00 H new ATOM 1215 N ILE A 79 -0.607 -1.125 2.877 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.091 -0.147 3.820 1.00 0.00 C ATOM 1217 C ILE A 79 -0.604 1.234 3.448 1.00 0.00 C ATOM 1218 O ILE A 79 -0.311 1.747 2.370 1.00 0.00 O ATOM 1219 CB ILE A 79 1.443 -0.124 3.833 1.00 0.00 C ATOM 1220 CG1 ILE A 79 2.011 -1.535 3.907 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.958 0.708 4.992 1.00 0.00 C ATOM 1222 CD1 ILE A 79 3.249 -1.704 3.064 1.00 0.00 C ATOM 0 H ILE A 79 -0.386 -0.923 1.902 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.436 -0.429 4.815 1.00 0.00 H new ATOM 0 HB ILE A 79 1.776 0.332 2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.246 -1.775 4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.253 -2.246 3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.048 0.711 4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.592 1.730 4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.605 0.282 5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.613 -2.728 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.011 -1.493 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.020 -1.014 3.407 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.403 1.818 4.318 1.00 0.00 N ATOM 1235 CA ILE A 80 -1.985 3.117 4.033 1.00 0.00 C ATOM 1236 C ILE A 80 -1.156 4.267 4.589 1.00 0.00 C ATOM 1237 O ILE A 80 -0.801 4.290 5.766 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.433 3.191 4.561 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.128 1.838 4.372 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.186 4.291 3.846 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.064 1.326 2.950 1.00 0.00 C ATOM 0 H ILE A 80 -1.663 1.420 5.220 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.993 3.227 2.949 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.418 3.422 5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.668 1.105 5.036 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.172 1.929 4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.207 4.338 4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.690 5.245 4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.204 4.084 2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.575 0.365 2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.549 2.040 2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.022 1.204 2.654 1.00 0.00 H new ATOM 1253 N MET A 81 -0.840 5.218 3.706 1.00 0.00 N ATOM 1254 CA MET A 81 -0.034 6.379 4.074 1.00 0.00 C ATOM 1255 C MET A 81 -0.850 7.461 4.782 1.00 0.00 C ATOM 1256 O MET A 81 -0.298 8.477 5.188 1.00 0.00 O ATOM 1257 CB MET A 81 0.660 6.978 2.849 1.00 0.00 C ATOM 1258 CG MET A 81 -0.237 7.151 1.637 1.00 0.00 C ATOM 1259 SD MET A 81 0.547 6.567 0.121 1.00 0.00 S ATOM 1260 CE MET A 81 0.756 4.829 0.484 1.00 0.00 C ATOM 0 H MET A 81 -1.132 5.204 2.729 1.00 0.00 H new ATOM 0 HA MET A 81 0.718 6.017 4.775 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.073 7.949 3.121 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.500 6.340 2.575 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.168 6.607 1.795 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.498 8.204 1.527 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.817 4.578 0.463 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.351 4.612 1.472 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.228 4.235 -0.262 1.00 0.00 H new ATOM 1270 N THR A 82 -2.154 7.252 4.937 1.00 0.00 N ATOM 1271 CA THR A 82 -3.001 8.233 5.616 1.00 0.00 C ATOM 1272 C THR A 82 -4.143 7.540 6.357 1.00 0.00 C ATOM 1273 O THR A 82 -4.698 6.553 5.875 1.00 0.00 O ATOM 1274 CB THR A 82 -3.566 9.252 4.620 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.597 9.606 3.648 1.00 0.00 O ATOM 1276 CG2 THR A 82 -4.039 10.532 5.271 1.00 0.00 C ATOM 0 H THR A 82 -2.645 6.422 4.606 1.00 0.00 H new ATOM 0 HA THR A 82 -2.382 8.762 6.340 1.00 0.00 H new ATOM 0 HB THR A 82 -4.421 8.753 4.164 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.045 9.984 2.862 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.426 11.207 4.508 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.827 10.305 5.989 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.205 11.008 5.787 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.496 8.060 7.527 1.00 0.00 N ATOM 1285 CA ALA A 83 -5.577 7.486 8.320 1.00 0.00 C ATOM 1286 C ALA A 83 -6.063 8.472 9.376 1.00 0.00 C ATOM 1287 O ALA A 83 -5.915 8.238 10.575 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.128 6.187 8.970 1.00 0.00 C ATOM 0 H ALA A 83 -4.051 8.876 7.947 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.410 7.270 7.651 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.947 5.772 9.558 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.839 5.475 8.197 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.276 6.382 9.621 1.00 0.00 H new ATOM 1294 N HIS A 84 -6.638 9.580 8.927 1.00 0.00 N ATOM 1295 CA HIS A 84 -7.134 10.599 9.844 1.00 0.00 C ATOM 1296 C HIS A 84 -8.638 10.459 10.063 1.00 0.00 C ATOM 1297 O HIS A 84 -9.115 10.521 11.196 1.00 0.00 O ATOM 1298 CB HIS A 84 -6.808 11.996 9.315 1.00 0.00 C ATOM 1299 CG HIS A 84 -7.278 12.234 7.914 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -8.577 12.575 7.606 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -6.617 12.173 6.734 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -8.696 12.712 6.297 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -7.520 12.475 5.746 1.00 0.00 N ATOM 0 H HIS A 84 -6.772 9.796 7.939 1.00 0.00 H new ATOM 0 HA HIS A 84 -6.636 10.457 10.803 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.261 12.738 9.972 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -5.730 12.149 9.358 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -5.573 11.932 6.596 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.601 12.973 5.768 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.316 12.511 4.747 1.00 0.00 H new ATOM 1312 N SER A 85 -9.380 10.271 8.977 1.00 0.00 N ATOM 1313 CA SER A 85 -10.830 10.127 9.060 1.00 0.00 C ATOM 1314 C SER A 85 -11.298 8.839 8.390 1.00 0.00 C ATOM 1315 O SER A 85 -10.553 8.207 7.642 1.00 0.00 O ATOM 1316 CB SER A 85 -11.523 11.324 8.405 1.00 0.00 C ATOM 1317 OG SER A 85 -11.842 12.319 9.363 1.00 0.00 O ATOM 0 H SER A 85 -9.003 10.215 8.031 1.00 0.00 H new ATOM 0 HA SER A 85 -11.097 10.085 10.116 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.875 11.748 7.638 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.433 10.992 7.905 1.00 0.00 H new ATOM 0 HG SER A 85 -12.282 13.073 8.918 1.00 0.00 H new ATOM 1323 N ASP A 86 -12.545 8.464 8.660 1.00 0.00 N ATOM 1324 CA ASP A 86 -13.132 7.259 8.083 1.00 0.00 C ATOM 1325 C ASP A 86 -12.343 6.012 8.474 1.00 0.00 C ATOM 1326 O ASP A 86 -12.390 5.001 7.778 1.00 0.00 O ATOM 1327 CB ASP A 86 -13.191 7.378 6.558 1.00 0.00 C ATOM 1328 CG ASP A 86 -14.604 7.595 6.054 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -15.312 8.451 6.623 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -15.002 6.909 5.091 1.00 0.00 O ATOM 0 H ASP A 86 -13.171 8.980 9.278 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.143 7.160 8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.561 8.207 6.235 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.782 6.473 6.109 1.00 0.00 H new ATOM 1335 N LEU A 87 -11.625 6.090 9.591 1.00 0.00 N ATOM 1336 CA LEU A 87 -10.825 4.964 10.072 1.00 0.00 C ATOM 1337 C LEU A 87 -11.626 3.661 10.087 1.00 0.00 C ATOM 1338 O LEU A 87 -11.053 2.573 10.074 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.282 5.260 11.474 1.00 0.00 C ATOM 1340 CG LEU A 87 -8.792 5.610 11.534 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -8.350 5.816 12.975 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -7.962 4.522 10.870 1.00 0.00 C ATOM 0 H LEU A 87 -11.580 6.921 10.181 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.993 4.835 9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.851 6.087 11.900 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.461 4.391 12.107 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.635 6.542 10.991 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.289 6.064 12.998 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.923 6.631 13.418 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.521 4.901 13.542 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.906 4.787 10.922 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.124 3.575 11.385 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.260 4.423 9.826 1.00 0.00 H new ATOM 1354 N ASP A 88 -12.950 3.773 10.118 1.00 0.00 N ATOM 1355 CA ASP A 88 -13.818 2.601 10.144 1.00 0.00 C ATOM 1356 C ASP A 88 -13.414 1.579 9.083 1.00 0.00 C ATOM 1357 O ASP A 88 -13.161 0.416 9.396 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.270 3.028 9.931 1.00 0.00 C ATOM 1359 CG ASP A 88 -15.450 3.917 8.715 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -15.050 5.098 8.778 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -15.992 3.430 7.700 1.00 0.00 O ATOM 0 H ASP A 88 -13.446 4.664 10.126 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.714 2.127 11.120 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.892 2.140 9.821 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.622 3.557 10.817 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.351 2.017 7.832 1.00 0.00 N ATOM 1367 CA ALA A 89 -12.970 1.134 6.736 1.00 0.00 C ATOM 1368 C ALA A 89 -11.569 0.567 6.949 1.00 0.00 C ATOM 1369 O ALA A 89 -11.213 -0.462 6.376 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.056 1.864 5.404 1.00 0.00 C ATOM 0 H ALA A 89 -13.558 2.975 7.551 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.671 0.300 6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.768 1.188 4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.078 2.206 5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.384 2.722 5.415 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.782 1.239 7.785 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.426 0.791 8.082 1.00 0.00 C ATOM 1378 C ALA A 90 -9.457 -0.520 8.850 1.00 0.00 C ATOM 1379 O ALA A 90 -8.631 -1.406 8.627 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.675 1.841 8.891 1.00 0.00 C ATOM 0 H ALA A 90 -11.060 2.094 8.267 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.907 0.639 7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.666 1.486 9.101 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.622 2.769 8.322 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.199 2.021 9.830 1.00 0.00 H new ATOM 1386 N VAL A 91 -10.413 -0.630 9.764 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.548 -1.826 10.577 1.00 0.00 C ATOM 1388 C VAL A 91 -10.912 -3.038 9.726 1.00 0.00 C ATOM 1389 O VAL A 91 -10.333 -4.112 9.883 1.00 0.00 O ATOM 1390 CB VAL A 91 -11.596 -1.654 11.689 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -11.520 -2.827 12.653 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -11.388 -0.337 12.427 1.00 0.00 C ATOM 0 H VAL A 91 -11.104 0.095 9.959 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.576 -1.991 11.041 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.588 -1.632 11.237 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.264 -2.701 13.439 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.715 -3.754 12.114 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.526 -2.868 13.098 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.140 -0.236 13.209 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.394 -0.324 12.875 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.481 0.492 11.725 1.00 0.00 H new ATOM 1402 N SER A 92 -11.867 -2.859 8.823 1.00 0.00 N ATOM 1403 CA SER A 92 -12.293 -3.943 7.948 1.00 0.00 C ATOM 1404 C SER A 92 -11.131 -4.414 7.081 1.00 0.00 C ATOM 1405 O SER A 92 -11.031 -5.594 6.737 1.00 0.00 O ATOM 1406 CB SER A 92 -13.452 -3.485 7.061 1.00 0.00 C ATOM 1407 OG SER A 92 -13.269 -2.147 6.636 1.00 0.00 O ATOM 0 H SER A 92 -12.359 -1.978 8.678 1.00 0.00 H new ATOM 0 HA SER A 92 -12.629 -4.774 8.568 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.530 -4.139 6.192 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.390 -3.571 7.609 1.00 0.00 H new ATOM 0 HG SER A 92 -12.311 -1.960 6.548 1.00 0.00 H new ATOM 1413 N ALA A 93 -10.251 -3.481 6.736 1.00 0.00 N ATOM 1414 CA ALA A 93 -9.092 -3.790 5.915 1.00 0.00 C ATOM 1415 C ALA A 93 -8.220 -4.848 6.574 1.00 0.00 C ATOM 1416 O ALA A 93 -7.694 -5.738 5.911 1.00 0.00 O ATOM 1417 CB ALA A 93 -8.295 -2.528 5.639 1.00 0.00 C ATOM 0 H ALA A 93 -10.321 -2.502 7.014 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.442 -4.195 4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.429 -2.772 5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.923 -1.809 5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.960 -2.096 6.582 1.00 0.00 H new ATOM 1423 N TYR A 94 -8.080 -4.757 7.884 1.00 0.00 N ATOM 1424 CA TYR A 94 -7.280 -5.726 8.625 1.00 0.00 C ATOM 1425 C TYR A 94 -7.874 -7.124 8.474 1.00 0.00 C ATOM 1426 O TYR A 94 -7.189 -8.129 8.671 1.00 0.00 O ATOM 1427 CB TYR A 94 -7.204 -5.348 10.104 1.00 0.00 C ATOM 1428 CG TYR A 94 -6.777 -3.920 10.343 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.619 -3.417 9.765 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -7.533 -3.073 11.142 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -5.225 -2.111 9.978 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -7.145 -1.765 11.360 1.00 0.00 C ATOM 1433 CZ TYR A 94 -5.990 -1.288 10.776 1.00 0.00 C ATOM 1434 OH TYR A 94 -5.600 0.014 10.990 1.00 0.00 O ATOM 0 H TYR A 94 -8.505 -4.028 8.457 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.270 -5.721 8.215 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.180 -5.508 10.562 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.504 -6.016 10.605 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.017 -4.058 9.138 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.439 -3.442 11.600 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.321 -1.736 9.521 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.743 -1.119 11.985 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.249 0.458 11.574 1.00 0.00 H new ATOM 1444 N GLN A 95 -9.154 -7.173 8.117 1.00 0.00 N ATOM 1445 CA GLN A 95 -9.850 -8.439 7.930 1.00 0.00 C ATOM 1446 C GLN A 95 -9.433 -9.087 6.613 1.00 0.00 C ATOM 1447 O GLN A 95 -9.208 -10.295 6.548 1.00 0.00 O ATOM 1448 CB GLN A 95 -11.375 -8.224 7.991 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.091 -8.260 6.642 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.204 -7.239 6.543 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.247 -6.528 5.422 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -14.013 -7.090 7.459 1.00 0.00 N flip ATOM 0 H GLN A 95 -9.730 -6.348 7.951 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.573 -9.117 8.737 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.808 -8.989 8.635 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.572 -7.261 8.463 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.368 -8.081 5.847 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.502 -9.256 6.480 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.940 -7.660 8.302 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.756 -6.397 7.375 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.333 -8.275 5.565 1.00 0.00 N ATOM 1462 CA GLN A 96 -8.945 -8.777 4.260 1.00 0.00 C ATOM 1463 C GLN A 96 -7.448 -9.061 4.206 1.00 0.00 C ATOM 1464 O GLN A 96 -6.981 -9.775 3.327 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.347 -7.795 3.153 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.586 -6.481 3.186 1.00 0.00 C ATOM 1467 CD GLN A 96 -7.457 -6.427 2.175 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -7.683 -6.485 0.967 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -6.230 -6.314 2.669 1.00 0.00 N ATOM 0 H GLN A 96 -9.515 -7.272 5.598 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.475 -9.715 4.094 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.189 -8.270 2.185 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.414 -7.587 3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.278 -5.661 2.994 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.179 -6.327 4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.089 -6.269 3.678 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.429 -6.272 2.039 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.698 -8.515 5.162 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.266 -8.750 5.197 1.00 0.00 C ATOM 1480 C GLY A 97 -4.447 -7.474 5.142 1.00 0.00 C ATOM 1481 O GLY A 97 -3.289 -7.495 4.725 1.00 0.00 O ATOM 0 H GLY A 97 -7.055 -7.918 5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.016 -9.295 6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.989 -9.388 4.358 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.040 -6.362 5.565 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.341 -5.085 5.558 1.00 0.00 C ATOM 1487 C ALA A 98 -3.184 -5.107 6.540 1.00 0.00 C ATOM 1488 O ALA A 98 -3.298 -5.661 7.633 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.295 -3.953 5.894 1.00 0.00 C ATOM 0 H ALA A 98 -5.997 -6.321 5.915 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.944 -4.918 4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.754 -3.007 5.884 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.096 -3.921 5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.720 -4.117 6.884 1.00 0.00 H new ATOM 1495 N PHE A 99 -2.065 -4.514 6.151 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.900 -4.488 7.012 1.00 0.00 C ATOM 1497 C PHE A 99 -1.100 -3.531 8.181 1.00 0.00 C ATOM 1498 O PHE A 99 -0.935 -3.916 9.339 1.00 0.00 O ATOM 1499 CB PHE A 99 0.347 -4.097 6.225 1.00 0.00 C ATOM 1500 CG PHE A 99 1.587 -4.114 7.065 1.00 0.00 C ATOM 1501 CD1 PHE A 99 1.997 -5.280 7.688 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.330 -2.962 7.244 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.131 -5.296 8.476 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.466 -2.973 8.029 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.867 -4.141 8.646 1.00 0.00 C ATOM 0 H PHE A 99 -1.943 -4.049 5.252 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.763 -5.493 7.410 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.472 -4.781 5.386 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.210 -3.100 5.806 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.424 -6.186 7.557 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.019 -2.045 6.766 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.441 -6.211 8.958 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.041 -2.068 8.160 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.755 -4.151 9.261 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.453 -2.283 7.876 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.668 -1.276 8.913 1.00 0.00 C ATOM 1517 C ASP A 100 -2.023 0.085 8.305 1.00 0.00 C ATOM 1518 O ASP A 100 -2.440 0.168 7.149 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.414 -1.150 9.784 1.00 0.00 C ATOM 1520 CG ASP A 100 0.765 -0.602 9.009 1.00 0.00 C ATOM 1521 OD1 ASP A 100 0.664 -0.492 7.769 1.00 0.00 O ATOM 1522 OD2 ASP A 100 1.788 -0.285 9.643 1.00 0.00 O ATOM 0 H ASP A 100 -1.596 -1.946 6.924 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.508 -1.598 9.529 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.626 -0.497 10.631 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.157 -2.128 10.192 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.852 1.147 9.094 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.151 2.504 8.643 1.00 0.00 C ATOM 1529 C TYR A 101 -1.120 3.493 9.184 1.00 0.00 C ATOM 1530 O TYR A 101 -1.048 3.730 10.390 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.552 2.918 9.106 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.643 2.639 8.096 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.228 1.383 7.999 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -5.095 3.638 7.248 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.234 1.137 7.085 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -6.097 3.399 6.335 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.668 2.147 6.259 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.673 1.903 5.353 1.00 0.00 O ATOM 0 H TYR A 101 -1.506 1.091 10.052 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.112 2.517 7.554 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.787 2.394 10.033 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.547 3.984 9.335 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.892 0.587 8.647 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.653 4.622 7.305 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.678 0.155 7.019 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.434 4.189 5.681 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.700 2.626 4.692 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.327 4.070 8.287 1.00 0.00 N ATOM 1549 CA LEU A 102 0.694 5.036 8.682 1.00 0.00 C ATOM 1550 C LEU A 102 0.259 6.460 8.317 1.00 0.00 C ATOM 1551 O LEU A 102 -0.365 6.675 7.279 1.00 0.00 O ATOM 1552 CB LEU A 102 2.042 4.679 8.028 1.00 0.00 C ATOM 1553 CG LEU A 102 2.344 5.385 6.701 1.00 0.00 C ATOM 1554 CD1 LEU A 102 3.268 6.566 6.927 1.00 0.00 C ATOM 1555 CD2 LEU A 102 2.956 4.421 5.690 1.00 0.00 C ATOM 0 H LEU A 102 -0.371 3.887 7.285 1.00 0.00 H new ATOM 0 HA LEU A 102 0.819 4.995 9.764 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.840 4.913 8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.070 3.602 7.860 1.00 0.00 H new ATOM 0 HG LEU A 102 1.401 5.749 6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 102 3.472 7.056 5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.793 7.275 7.605 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.204 6.217 7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 102 3.159 4.951 4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.887 4.018 6.089 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.260 3.604 5.498 1.00 0.00 H new ATOM 1567 N PRO A 103 0.576 7.451 9.170 1.00 0.00 N ATOM 1568 CA PRO A 103 0.210 8.856 8.937 1.00 0.00 C ATOM 1569 C PRO A 103 0.620 9.337 7.544 1.00 0.00 C ATOM 1570 O PRO A 103 1.379 8.663 6.851 1.00 0.00 O ATOM 1571 CB PRO A 103 0.963 9.620 10.042 1.00 0.00 C ATOM 1572 CG PRO A 103 1.929 8.641 10.621 1.00 0.00 C ATOM 1573 CD PRO A 103 1.311 7.288 10.429 1.00 0.00 C ATOM 0 HA PRO A 103 -0.868 9.011 8.974 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.482 10.488 9.635 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.275 9.988 10.803 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.895 8.703 10.120 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.104 8.844 11.678 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.065 6.504 10.360 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.649 7.023 11.254 1.00 0.00 H new ATOM 1581 N LYS A 104 0.100 10.502 7.134 1.00 0.00 N ATOM 1582 CA LYS A 104 0.397 11.062 5.808 1.00 0.00 C ATOM 1583 C LYS A 104 1.863 10.896 5.413 1.00 0.00 C ATOM 1584 O LYS A 104 2.150 10.541 4.270 1.00 0.00 O ATOM 1585 CB LYS A 104 -0.003 12.534 5.716 1.00 0.00 C ATOM 1586 CG LYS A 104 0.113 13.107 4.305 1.00 0.00 C ATOM 1587 CD LYS A 104 -0.592 12.237 3.264 1.00 0.00 C ATOM 1588 CE LYS A 104 0.350 11.847 2.128 1.00 0.00 C ATOM 1589 NZ LYS A 104 -0.008 10.528 1.527 1.00 0.00 N ATOM 0 H LYS A 104 -0.527 11.074 7.700 1.00 0.00 H new ATOM 0 HA LYS A 104 -0.203 10.489 5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.030 12.646 6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.626 13.116 6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.314 14.110 4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.166 13.204 4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.978 11.337 3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.449 12.775 2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.323 12.616 1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.373 11.808 2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.772 9.856 1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.870 10.163 1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.176 10.645 0.507 1.00 0.00 H new ATOM 1603 N PRO A 105 2.826 11.137 6.331 1.00 0.00 N ATOM 1604 CA PRO A 105 4.249 10.987 6.021 1.00 0.00 C ATOM 1605 C PRO A 105 4.494 9.680 5.282 1.00 0.00 C ATOM 1606 O PRO A 105 3.619 8.820 5.243 1.00 0.00 O ATOM 1607 CB PRO A 105 4.928 10.973 7.402 1.00 0.00 C ATOM 1608 CG PRO A 105 3.813 10.954 8.401 1.00 0.00 C ATOM 1609 CD PRO A 105 2.638 11.581 7.714 1.00 0.00 C ATOM 0 HA PRO A 105 4.631 11.779 5.377 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.569 10.099 7.514 1.00 0.00 H new ATOM 0 HB3 PRO A 105 5.560 11.851 7.537 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.585 9.935 8.713 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.083 11.510 9.299 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.691 11.236 8.129 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.647 12.668 7.799 1.00 0.00 H new ATOM 1617 N PHE A 106 5.649 9.542 4.649 1.00 0.00 N ATOM 1618 CA PHE A 106 5.917 8.340 3.880 1.00 0.00 C ATOM 1619 C PHE A 106 7.378 8.260 3.435 1.00 0.00 C ATOM 1620 O PHE A 106 8.226 7.783 4.185 1.00 0.00 O ATOM 1621 CB PHE A 106 4.961 8.310 2.680 1.00 0.00 C ATOM 1622 CG PHE A 106 4.939 7.019 1.919 1.00 0.00 C ATOM 1623 CD1 PHE A 106 5.833 6.783 0.884 1.00 0.00 C ATOM 1624 CD2 PHE A 106 4.002 6.049 2.227 1.00 0.00 C ATOM 1625 CE1 PHE A 106 5.792 5.600 0.171 1.00 0.00 C ATOM 1626 CE2 PHE A 106 3.959 4.867 1.521 1.00 0.00 C ATOM 1627 CZ PHE A 106 4.854 4.641 0.491 1.00 0.00 C ATOM 0 H PHE A 106 6.400 10.232 4.652 1.00 0.00 H new ATOM 0 HA PHE A 106 5.746 7.466 4.508 1.00 0.00 H new ATOM 0 HB2 PHE A 106 3.952 8.523 3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.236 9.113 1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 106 6.569 7.532 0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 106 3.298 6.220 3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 106 6.492 5.427 -0.633 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.225 4.115 1.772 1.00 0.00 H new ATOM 0 HZ PHE A 106 4.818 3.714 -0.062 1.00 0.00 H new ATOM 1637 N ASP A 107 7.674 8.708 2.217 1.00 0.00 N ATOM 1638 CA ASP A 107 9.039 8.652 1.695 1.00 0.00 C ATOM 1639 C ASP A 107 9.677 7.293 2.002 1.00 0.00 C ATOM 1640 O ASP A 107 9.009 6.381 2.478 1.00 0.00 O ATOM 1641 CB ASP A 107 9.884 9.784 2.279 1.00 0.00 C ATOM 1642 CG ASP A 107 10.173 9.596 3.753 1.00 0.00 C ATOM 1643 OD1 ASP A 107 11.177 8.930 4.076 1.00 0.00 O ATOM 1644 OD2 ASP A 107 9.396 10.110 4.584 1.00 0.00 O ATOM 0 H ASP A 107 6.992 9.112 1.575 1.00 0.00 H new ATOM 0 HA ASP A 107 8.998 8.776 0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.826 9.848 1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.366 10.732 2.132 1.00 0.00 H new ATOM 1649 N ILE A 108 10.965 7.160 1.723 1.00 0.00 N ATOM 1650 CA ILE A 108 11.669 5.903 1.968 1.00 0.00 C ATOM 1651 C ILE A 108 11.794 5.600 3.445 1.00 0.00 C ATOM 1652 O ILE A 108 11.530 4.484 3.890 1.00 0.00 O ATOM 1653 CB ILE A 108 13.065 5.913 1.298 1.00 0.00 C ATOM 1654 CG1 ILE A 108 12.955 5.389 -0.126 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.108 5.110 2.075 1.00 0.00 C ATOM 1656 CD1 ILE A 108 11.746 5.918 -0.855 1.00 0.00 C ATOM 0 H ILE A 108 11.545 7.901 1.329 1.00 0.00 H new ATOM 0 HA ILE A 108 11.071 5.109 1.520 1.00 0.00 H new ATOM 0 HB ILE A 108 13.409 6.947 1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.854 5.662 -0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.912 4.300 -0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.064 5.156 1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.219 5.529 3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.786 4.072 2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.722 5.509 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.842 5.623 -0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.798 7.006 -0.905 1.00 0.00 H new ATOM 1668 N ASP A 109 12.216 6.589 4.195 1.00 0.00 N ATOM 1669 CA ASP A 109 12.398 6.417 5.622 1.00 0.00 C ATOM 1670 C ASP A 109 11.146 5.845 6.287 1.00 0.00 C ATOM 1671 O ASP A 109 11.224 4.842 6.986 1.00 0.00 O ATOM 1672 CB ASP A 109 12.794 7.742 6.279 1.00 0.00 C ATOM 1673 CG ASP A 109 14.223 8.141 5.962 1.00 0.00 C ATOM 1674 OD1 ASP A 109 15.144 7.373 6.310 1.00 0.00 O ATOM 1675 OD2 ASP A 109 14.421 9.220 5.365 1.00 0.00 O ATOM 0 H ASP A 109 12.440 7.521 3.845 1.00 0.00 H new ATOM 0 HA ASP A 109 13.206 5.699 5.764 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.117 8.528 5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.674 7.659 7.359 1.00 0.00 H new ATOM 1680 N GLU A 110 10.002 6.498 6.091 1.00 0.00 N ATOM 1681 CA GLU A 110 8.756 6.057 6.708 1.00 0.00 C ATOM 1682 C GLU A 110 8.088 4.895 5.962 1.00 0.00 C ATOM 1683 O GLU A 110 7.410 4.074 6.582 1.00 0.00 O ATOM 1684 CB GLU A 110 7.785 7.239 6.853 1.00 0.00 C ATOM 1685 CG GLU A 110 8.397 8.446 7.547 1.00 0.00 C ATOM 1686 CD GLU A 110 7.991 8.557 9.004 1.00 0.00 C ATOM 1687 OE1 GLU A 110 8.211 7.586 9.757 1.00 0.00 O ATOM 1688 OE2 GLU A 110 7.456 9.617 9.393 1.00 0.00 O ATOM 0 H GLU A 110 9.914 7.332 5.511 1.00 0.00 H new ATOM 0 HA GLU A 110 9.014 5.676 7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.437 7.536 5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.909 6.913 7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.483 8.385 7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.097 9.352 7.021 1.00 0.00 H new ATOM 1695 N ALA A 111 8.273 4.813 4.646 1.00 0.00 N ATOM 1696 CA ALA A 111 7.665 3.733 3.872 1.00 0.00 C ATOM 1697 C ALA A 111 8.515 2.472 3.925 1.00 0.00 C ATOM 1698 O ALA A 111 8.013 1.392 4.238 1.00 0.00 O ATOM 1699 CB ALA A 111 7.418 4.156 2.435 1.00 0.00 C ATOM 0 H ALA A 111 8.830 5.470 4.100 1.00 0.00 H new ATOM 0 HA ALA A 111 6.700 3.508 4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.965 3.331 1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.747 5.015 2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.365 4.427 1.968 1.00 0.00 H new ATOM 1705 N VAL A 112 9.805 2.604 3.631 1.00 0.00 N ATOM 1706 CA VAL A 112 10.696 1.454 3.667 1.00 0.00 C ATOM 1707 C VAL A 112 10.748 0.873 5.070 1.00 0.00 C ATOM 1708 O VAL A 112 10.879 -0.336 5.261 1.00 0.00 O ATOM 1709 CB VAL A 112 12.121 1.798 3.212 1.00 0.00 C ATOM 1710 CG1 VAL A 112 12.968 0.536 3.160 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.088 2.490 1.862 1.00 0.00 C ATOM 0 H VAL A 112 10.250 3.484 3.369 1.00 0.00 H new ATOM 0 HA VAL A 112 10.290 0.722 2.969 1.00 0.00 H new ATOM 0 HB VAL A 112 12.571 2.483 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.978 0.789 2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.007 0.083 4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.527 -0.169 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.105 2.729 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.629 1.830 1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.507 3.409 1.938 1.00 0.00 H new ATOM 1721 N ALA A 113 10.624 1.749 6.048 1.00 0.00 N ATOM 1722 CA ALA A 113 10.627 1.341 7.441 1.00 0.00 C ATOM 1723 C ALA A 113 9.473 0.388 7.701 1.00 0.00 C ATOM 1724 O ALA A 113 9.641 -0.684 8.283 1.00 0.00 O ATOM 1725 CB ALA A 113 10.493 2.566 8.325 1.00 0.00 C ATOM 0 H ALA A 113 10.519 2.753 5.903 1.00 0.00 H new ATOM 0 HA ALA A 113 11.564 0.832 7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.495 2.261 9.372 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.330 3.240 8.142 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.558 3.078 8.098 1.00 0.00 H new ATOM 1731 N LEU A 114 8.294 0.817 7.275 1.00 0.00 N ATOM 1732 CA LEU A 114 7.072 0.056 7.452 1.00 0.00 C ATOM 1733 C LEU A 114 6.948 -1.093 6.447 1.00 0.00 C ATOM 1734 O LEU A 114 6.199 -2.042 6.681 1.00 0.00 O ATOM 1735 CB LEU A 114 5.880 1.007 7.321 1.00 0.00 C ATOM 1736 CG LEU A 114 4.542 0.500 7.861 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.692 -0.013 9.282 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.509 1.614 7.814 1.00 0.00 C ATOM 0 H LEU A 114 8.161 1.707 6.795 1.00 0.00 H new ATOM 0 HA LEU A 114 7.092 -0.398 8.443 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.126 1.936 7.836 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.752 1.251 6.266 1.00 0.00 H new ATOM 0 HG LEU A 114 4.208 -0.326 7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.727 -0.368 9.644 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.410 -0.833 9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.046 0.793 9.924 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.559 1.245 8.200 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.849 2.451 8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.378 1.946 6.784 1.00 0.00 H new ATOM 1750 N VAL A 115 7.665 -1.010 5.327 1.00 0.00 N ATOM 1751 CA VAL A 115 7.588 -2.062 4.313 1.00 0.00 C ATOM 1752 C VAL A 115 8.432 -3.286 4.672 1.00 0.00 C ATOM 1753 O VAL A 115 7.948 -4.414 4.627 1.00 0.00 O ATOM 1754 CB VAL A 115 7.973 -1.567 2.895 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.478 -1.432 2.743 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.423 -2.514 1.839 1.00 0.00 C ATOM 0 H VAL A 115 8.295 -0.240 5.100 1.00 0.00 H new ATOM 0 HA VAL A 115 6.538 -2.355 4.297 1.00 0.00 H new ATOM 0 HB VAL A 115 7.532 -0.580 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.712 -1.083 1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.855 -0.715 3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.949 -2.401 2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.701 -2.155 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.837 -3.510 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.337 -2.556 1.918 1.00 0.00 H new ATOM 1766 N GLU A 116 9.697 -3.066 5.013 1.00 0.00 N ATOM 1767 CA GLU A 116 10.586 -4.169 5.357 1.00 0.00 C ATOM 1768 C GLU A 116 10.087 -4.901 6.595 1.00 0.00 C ATOM 1769 O GLU A 116 10.091 -6.130 6.646 1.00 0.00 O ATOM 1770 CB GLU A 116 12.008 -3.660 5.576 1.00 0.00 C ATOM 1771 CG GLU A 116 12.695 -3.231 4.291 1.00 0.00 C ATOM 1772 CD GLU A 116 14.204 -3.222 4.416 1.00 0.00 C ATOM 1773 OE1 GLU A 116 14.723 -2.477 5.273 1.00 0.00 O ATOM 1774 OE2 GLU A 116 14.867 -3.960 3.658 1.00 0.00 O ATOM 0 H GLU A 116 10.127 -2.142 5.058 1.00 0.00 H new ATOM 0 HA GLU A 116 10.593 -4.873 4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.983 -2.816 6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.598 -4.443 6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.404 -3.905 3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.351 -2.235 4.014 1.00 0.00 H new ATOM 1781 N ARG A 117 9.644 -4.138 7.586 1.00 0.00 N ATOM 1782 CA ARG A 117 9.126 -4.717 8.815 1.00 0.00 C ATOM 1783 C ARG A 117 7.875 -5.543 8.529 1.00 0.00 C ATOM 1784 O ARG A 117 7.525 -6.447 9.289 1.00 0.00 O ATOM 1785 CB ARG A 117 8.819 -3.616 9.830 1.00 0.00 C ATOM 1786 CG ARG A 117 10.065 -2.937 10.375 1.00 0.00 C ATOM 1787 CD ARG A 117 9.719 -1.735 11.239 1.00 0.00 C ATOM 1788 NE ARG A 117 10.819 -0.775 11.300 1.00 0.00 N ATOM 1789 CZ ARG A 117 11.090 -0.013 12.359 1.00 0.00 C ATOM 1790 NH1 ARG A 117 10.337 -0.081 13.450 1.00 0.00 N ATOM 1791 NH2 ARG A 117 12.118 0.824 12.324 1.00 0.00 N ATOM 0 H ARG A 117 9.634 -3.118 7.561 1.00 0.00 H new ATOM 0 HA ARG A 117 9.885 -5.376 9.236 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.181 -2.867 9.361 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.254 -4.043 10.659 1.00 0.00 H new ATOM 0 HG2 ARG A 117 10.642 -3.652 10.961 1.00 0.00 H new ATOM 0 HG3 ARG A 117 10.698 -2.619 9.546 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.831 -1.245 10.841 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.473 -2.070 12.247 1.00 0.00 H new ATOM 0 HE ARG A 117 11.418 -0.682 10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 117 9.543 -0.721 13.483 1.00 0.00 H new ATOM 0 HH12 ARG A 117 10.552 0.506 14.256 1.00 0.00 H new ATOM 0 HH21 ARG A 117 12.699 0.883 11.488 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.328 1.408 13.133 1.00 0.00 H new ATOM 1805 N ALA A 118 7.207 -5.224 7.425 1.00 0.00 N ATOM 1806 CA ALA A 118 5.998 -5.927 7.027 1.00 0.00 C ATOM 1807 C ALA A 118 6.322 -7.319 6.502 1.00 0.00 C ATOM 1808 O ALA A 118 5.801 -8.319 6.997 1.00 0.00 O ATOM 1809 CB ALA A 118 5.246 -5.134 5.970 1.00 0.00 C ATOM 0 H ALA A 118 7.487 -4.478 6.788 1.00 0.00 H new ATOM 0 HA ALA A 118 5.366 -6.031 7.909 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.344 -5.674 5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.972 -4.159 6.373 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.882 -5.000 5.095 1.00 0.00 H new ATOM 1815 N ILE A 119 7.185 -7.372 5.493 1.00 0.00 N ATOM 1816 CA ILE A 119 7.584 -8.634 4.889 1.00 0.00 C ATOM 1817 C ILE A 119 8.362 -9.495 5.878 1.00 0.00 C ATOM 1818 O ILE A 119 8.302 -10.723 5.835 1.00 0.00 O ATOM 1819 CB ILE A 119 8.448 -8.398 3.635 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.783 -7.379 2.708 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.690 -9.702 2.894 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.770 -6.453 2.037 1.00 0.00 C ATOM 0 H ILE A 119 7.622 -6.550 5.076 1.00 0.00 H new ATOM 0 HA ILE A 119 6.671 -9.156 4.603 1.00 0.00 H new ATOM 0 HB ILE A 119 9.410 -8.001 3.957 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.215 -7.909 1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.070 -6.786 3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.302 -9.511 2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.207 -10.403 3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.735 -10.129 2.587 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.235 -5.755 1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.321 -5.897 2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.467 -7.038 1.437 1.00 0.00 H new ATOM 1834 N SER A 120 9.092 -8.836 6.766 1.00 0.00 N ATOM 1835 CA SER A 120 9.889 -9.527 7.772 1.00 0.00 C ATOM 1836 C SER A 120 8.995 -10.259 8.768 1.00 0.00 C ATOM 1837 O SER A 120 9.297 -11.379 9.181 1.00 0.00 O ATOM 1838 CB SER A 120 10.792 -8.536 8.510 1.00 0.00 C ATOM 1839 OG SER A 120 11.958 -9.175 9.002 1.00 0.00 O ATOM 0 H SER A 120 9.150 -7.819 6.811 1.00 0.00 H new ATOM 0 HA SER A 120 10.511 -10.263 7.262 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.074 -7.726 7.837 1.00 0.00 H new ATOM 0 HB3 SER A 120 10.243 -8.086 9.338 1.00 0.00 H new ATOM 0 HG SER A 120 12.518 -8.520 9.468 1.00 0.00 H new ATOM 1845 N HIS A 121 7.895 -9.620 9.152 1.00 0.00 N ATOM 1846 CA HIS A 121 6.957 -10.211 10.100 1.00 0.00 C ATOM 1847 C HIS A 121 6.237 -11.407 9.489 1.00 0.00 C ATOM 1848 O HIS A 121 5.771 -12.296 10.203 1.00 0.00 O ATOM 1849 CB HIS A 121 5.936 -9.167 10.554 1.00 0.00 C ATOM 1850 CG HIS A 121 6.399 -8.352 11.721 1.00 0.00 C ATOM 1851 ND1 HIS A 121 7.559 -7.607 11.706 1.00 0.00 N ATOM 1852 CD2 HIS A 121 5.850 -8.165 12.944 1.00 0.00 C ATOM 1853 CE1 HIS A 121 7.705 -6.999 12.869 1.00 0.00 C ATOM 1854 NE2 HIS A 121 6.681 -7.321 13.638 1.00 0.00 N ATOM 0 H HIS A 121 7.631 -8.692 8.821 1.00 0.00 H new ATOM 0 HA HIS A 121 7.526 -10.558 10.963 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.713 -8.501 9.720 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.006 -9.670 10.818 1.00 0.00 H new ATOM 0 HD1 HIS A 121 8.204 -7.536 10.919 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.930 -8.599 13.306 1.00 0.00 H new ATOM 0 HE1 HIS A 121 8.523 -6.349 13.144 1.00 0.00 H new ATOM 1863 N TYR A 122 6.147 -11.421 8.165 1.00 0.00 N ATOM 1864 CA TYR A 122 5.482 -12.503 7.454 1.00 0.00 C ATOM 1865 C TYR A 122 6.317 -13.779 7.497 1.00 0.00 C ATOM 1866 O TYR A 122 5.804 -14.857 7.798 1.00 0.00 O ATOM 1867 CB TYR A 122 5.213 -12.100 6.001 1.00 0.00 C ATOM 1868 CG TYR A 122 3.856 -11.463 5.791 1.00 0.00 C ATOM 1869 CD1 TYR A 122 2.703 -12.068 6.275 1.00 0.00 C ATOM 1870 CD2 TYR A 122 3.729 -10.256 5.115 1.00 0.00 C ATOM 1871 CE1 TYR A 122 1.462 -11.486 6.095 1.00 0.00 C ATOM 1872 CE2 TYR A 122 2.492 -9.668 4.928 1.00 0.00 C ATOM 1873 CZ TYR A 122 1.362 -10.285 5.421 1.00 0.00 C ATOM 1874 OH TYR A 122 0.129 -9.699 5.244 1.00 0.00 O ATOM 0 H TYR A 122 6.528 -10.692 7.561 1.00 0.00 H new ATOM 0 HA TYR A 122 4.531 -12.698 7.950 1.00 0.00 H new ATOM 0 HB2 TYR A 122 5.986 -11.404 5.677 1.00 0.00 H new ATOM 0 HB3 TYR A 122 5.293 -12.983 5.367 1.00 0.00 H new ATOM 0 HD1 TYR A 122 2.777 -13.009 6.801 1.00 0.00 H new ATOM 0 HD2 TYR A 122 4.612 -9.769 4.729 1.00 0.00 H new ATOM 0 HE1 TYR A 122 0.575 -11.968 6.480 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.411 -8.730 4.398 1.00 0.00 H new ATOM 0 HH TYR A 122 0.232 -8.725 5.210 1.00 0.00 H new ATOM 1884 N GLN A 123 7.605 -13.650 7.194 1.00 0.00 N ATOM 1885 CA GLN A 123 8.508 -14.793 7.199 1.00 0.00 C ATOM 1886 C GLN A 123 8.886 -15.186 8.617 1.00 0.00 C ATOM 1887 O GLN A 123 8.706 -16.331 9.031 1.00 0.00 O ATOM 1888 CB GLN A 123 9.772 -14.499 6.382 1.00 0.00 C ATOM 1889 CG GLN A 123 10.453 -13.183 6.729 1.00 0.00 C ATOM 1890 CD GLN A 123 11.390 -12.707 5.634 1.00 0.00 C ATOM 1891 OE1 GLN A 123 12.529 -13.166 5.534 1.00 0.00 O ATOM 1892 NE2 GLN A 123 10.915 -11.782 4.808 1.00 0.00 N ATOM 0 H GLN A 123 8.046 -12.765 6.942 1.00 0.00 H new ATOM 0 HA GLN A 123 7.981 -15.628 6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 123 10.483 -15.312 6.530 1.00 0.00 H new ATOM 0 HB3 GLN A 123 9.512 -14.492 5.323 1.00 0.00 H new ATOM 0 HG2 GLN A 123 9.694 -12.422 6.910 1.00 0.00 H new ATOM 0 HG3 GLN A 123 11.013 -13.301 7.656 1.00 0.00 H new ATOM 0 HE21 GLN A 123 9.965 -11.430 4.928 1.00 0.00 H new ATOM 0 HE22 GLN A 123 11.500 -11.423 4.053 1.00 0.00 H new ATOM 1901 N GLU A 124 9.409 -14.223 9.351 1.00 0.00 N ATOM 1902 CA GLU A 124 9.822 -14.443 10.731 1.00 0.00 C ATOM 1903 C GLU A 124 8.650 -14.246 11.687 1.00 0.00 C ATOM 1904 O GLU A 124 7.787 -13.397 11.461 1.00 0.00 O ATOM 1905 CB GLU A 124 10.961 -13.492 11.102 1.00 0.00 C ATOM 1906 CG GLU A 124 12.198 -13.652 10.231 1.00 0.00 C ATOM 1907 CD GLU A 124 13.430 -14.030 11.030 1.00 0.00 C ATOM 1908 OE1 GLU A 124 13.576 -13.533 12.166 1.00 0.00 O ATOM 1909 OE2 GLU A 124 14.248 -14.824 10.520 1.00 0.00 O ATOM 0 H GLU A 124 9.560 -13.272 9.015 1.00 0.00 H new ATOM 0 HA GLU A 124 10.172 -15.471 10.820 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.604 -12.465 11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.237 -13.658 12.143 1.00 0.00 H new ATOM 0 HG2 GLU A 124 12.010 -14.416 9.477 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.386 -12.719 9.699 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -2.715 11.022 -0.477 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -3.272 12.319 -0.943 1.00 0.00 F HETATM 1919 F2 BEF A 125 -1.240 11.034 -0.643 1.00 0.00 F HETATM 1920 F3 BEF A 125 -3.047 10.822 0.961 1.00 0.00 F