USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 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 Set 1.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HE2:sc= -5.98! C(o=-6!,f=-10!) USER MOD Set 2.1: A 2 GLN :FLIP amide:sc= 0 F(o=-1.6,f=-0.6) USER MOD Set 2.2: A 123 GLN : amide:sc= -0.599 K(o=-0.6,f=-1.8!) USER MOD Single : A 1 MET CE :methyl 151:sc= -0.235 (180deg=-0.93) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.029 (180deg=-0.203) 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 -160:sc= -1.71 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -16:sc= -5.45! USER MOD Single : A 35 ASN : amide:sc= -8.54! C(o=-8.5!,f=-9!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0105 F(o=-2!,f=-0.01) 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 53 SER OG : rot 160:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 148:sc= -0.257 (180deg=-1.01) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc=-0.00563 K(o=-0.0056,f=-0.9) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= -0.0147 (180deg=-0.195) USER MOD Single : A 71 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.36) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 154:sc= 0 (180deg=-0.817) USER MOD Single : A 82 THR OG1 : rot 93:sc= 0.0176 USER MOD Single : A 84 HIS : no HD1:sc= -1.04 X(o=-1,f=-0.56) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 50:sc= 0.581 USER MOD Single : A 95 GLN :FLIP amide:sc= -1.39 F(o=-2.1,f=-1.4) USER MOD Single : A 96 GLN : amide:sc= -9.33! C(o=-9.3!,f=-11!) USER MOD Single : A 101 TYR OH : rot -135:sc= -7.12! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 0.0904 K(o=0.09,f=-1.5!) USER MOD Single : A 122 TYR OH : rot 41:sc= 0.0111 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.396 -16.106 6.881 1.00 0.00 N ATOM 2 CA MET A 1 13.360 -16.462 5.802 1.00 0.00 C ATOM 3 C MET A 1 12.867 -15.968 4.447 1.00 0.00 C ATOM 4 O MET A 1 13.135 -16.587 3.415 1.00 0.00 O ATOM 5 CB MET A 1 13.532 -17.983 5.773 1.00 0.00 C ATOM 6 CG MET A 1 14.972 -18.428 5.588 1.00 0.00 C ATOM 7 SD MET A 1 15.101 -20.028 4.766 1.00 0.00 S ATOM 8 CE MET A 1 14.451 -19.628 3.147 1.00 0.00 C ATOM 0 H1 MET A 1 12.643 -16.620 7.751 1.00 0.00 H new ATOM 0 H2 MET A 1 12.438 -15.082 7.060 1.00 0.00 H new ATOM 0 H3 MET A 1 11.433 -16.367 6.586 1.00 0.00 H new ATOM 0 HA MET A 1 14.317 -15.982 6.007 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.148 -18.402 6.703 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.927 -18.393 4.965 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.508 -17.679 5.005 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.460 -18.483 6.561 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.905 -20.280 2.401 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.370 -19.770 3.143 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.681 -18.589 2.909 1.00 0.00 H new ATOM 20 N GLN A 2 12.142 -14.857 4.456 1.00 0.00 N ATOM 21 CA GLN A 2 11.608 -14.290 3.224 1.00 0.00 C ATOM 22 C GLN A 2 12.423 -13.086 2.770 1.00 0.00 C ATOM 23 O GLN A 2 12.893 -12.291 3.583 1.00 0.00 O ATOM 24 CB GLN A 2 10.147 -13.886 3.413 1.00 0.00 C ATOM 25 CG GLN A 2 9.168 -14.829 2.734 1.00 0.00 C ATOM 26 CD GLN A 2 8.932 -16.095 3.534 1.00 0.00 C ATOM 27 OE1 GLN A 2 8.071 -16.005 4.540 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 9.517 -17.141 3.251 1.00 0.00 N flip ATOM 0 H GLN A 2 11.911 -14.332 5.299 1.00 0.00 H new ATOM 0 HA GLN A 2 11.671 -15.057 2.452 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.923 -13.848 4.479 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.002 -12.879 3.021 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.218 -14.315 2.584 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.547 -15.092 1.747 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.171 -17.164 2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.348 -17.984 3.799 1.00 0.00 H new ATOM 37 N ARG A 3 12.577 -12.962 1.458 1.00 0.00 N ATOM 38 CA ARG A 3 13.327 -11.856 0.873 1.00 0.00 C ATOM 39 C ARG A 3 12.695 -10.524 1.242 1.00 0.00 C ATOM 40 O ARG A 3 13.371 -9.601 1.696 1.00 0.00 O ATOM 41 CB ARG A 3 13.382 -11.996 -0.653 1.00 0.00 C ATOM 42 CG ARG A 3 12.025 -12.258 -1.289 1.00 0.00 C ATOM 43 CD ARG A 3 12.147 -12.602 -2.766 1.00 0.00 C ATOM 44 NE ARG A 3 10.973 -13.328 -3.250 1.00 0.00 N ATOM 45 CZ ARG A 3 10.570 -13.338 -4.519 1.00 0.00 C ATOM 46 NH1 ARG A 3 11.245 -12.673 -5.448 1.00 0.00 N ATOM 47 NH2 ARG A 3 9.484 -14.022 -4.860 1.00 0.00 N ATOM 0 H ARG A 3 12.192 -13.615 0.776 1.00 0.00 H new ATOM 0 HA ARG A 3 14.341 -11.887 1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 3 13.804 -11.085 -1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 3 14.058 -12.811 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.531 -13.076 -0.765 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.393 -11.377 -1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 3 12.273 -11.686 -3.344 1.00 0.00 H new ATOM 0 HD3 ARG A 3 13.040 -13.206 -2.927 1.00 0.00 H new ATOM 0 HE ARG A 3 10.428 -13.861 -2.572 1.00 0.00 H new ATOM 0 HH11 ARG A 3 12.081 -12.148 -5.193 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.928 -12.687 -6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.962 -14.537 -4.151 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.172 -14.032 -5.831 1.00 0.00 H new ATOM 61 N GLY A 4 11.394 -10.440 1.038 1.00 0.00 N ATOM 62 CA GLY A 4 10.665 -9.224 1.339 1.00 0.00 C ATOM 63 C GLY A 4 10.375 -8.417 0.090 1.00 0.00 C ATOM 64 O GLY A 4 11.293 -7.906 -0.550 1.00 0.00 O ATOM 0 H GLY A 4 10.822 -11.198 0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.727 -9.476 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.242 -8.618 2.037 1.00 0.00 H new ATOM 68 N ILE A 5 9.100 -8.318 -0.273 1.00 0.00 N ATOM 69 CA ILE A 5 8.707 -7.585 -1.469 1.00 0.00 C ATOM 70 C ILE A 5 7.672 -6.509 -1.153 1.00 0.00 C ATOM 71 O ILE A 5 6.537 -6.814 -0.788 1.00 0.00 O ATOM 72 CB ILE A 5 8.123 -8.532 -2.537 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.936 -9.828 -2.622 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.081 -7.840 -3.892 1.00 0.00 C ATOM 75 CD1 ILE A 5 10.423 -9.606 -2.797 1.00 0.00 C ATOM 0 H ILE A 5 8.325 -8.735 0.242 1.00 0.00 H new ATOM 0 HA ILE A 5 9.610 -7.112 -1.854 1.00 0.00 H new ATOM 0 HB ILE A 5 7.105 -8.789 -2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.769 -10.411 -1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.566 -10.424 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.667 -8.521 -4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.456 -6.950 -3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.091 -7.553 -4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.931 -10.569 -2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.602 -9.051 -3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.808 -9.038 -1.950 1.00 0.00 H new ATOM 87 N VAL A 6 8.072 -5.248 -1.301 1.00 0.00 N ATOM 88 CA VAL A 6 7.174 -4.127 -1.039 1.00 0.00 C ATOM 89 C VAL A 6 6.721 -3.469 -2.338 1.00 0.00 C ATOM 90 O VAL A 6 7.543 -3.042 -3.148 1.00 0.00 O ATOM 91 CB VAL A 6 7.845 -3.047 -0.161 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.949 -2.345 -0.931 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.814 -2.039 0.324 1.00 0.00 C ATOM 0 H VAL A 6 9.009 -4.978 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 6 6.315 -4.541 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 6 8.287 -3.536 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.410 -1.588 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.702 -3.073 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.529 -1.869 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.304 -1.286 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.345 -1.557 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.053 -2.551 0.913 1.00 0.00 H new ATOM 103 N TRP A 7 5.416 -3.359 -2.521 1.00 0.00 N ATOM 104 CA TRP A 7 4.877 -2.718 -3.711 1.00 0.00 C ATOM 105 C TRP A 7 4.095 -1.482 -3.301 1.00 0.00 C ATOM 106 O TRP A 7 3.194 -1.548 -2.464 1.00 0.00 O ATOM 107 CB TRP A 7 4.021 -3.701 -4.516 1.00 0.00 C ATOM 108 CG TRP A 7 4.859 -4.619 -5.362 1.00 0.00 C ATOM 109 CD1 TRP A 7 6.213 -4.777 -5.284 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.416 -5.499 -6.404 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.641 -5.685 -6.215 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.560 -6.144 -6.915 1.00 0.00 C ATOM 113 CE3 TRP A 7 3.170 -5.803 -6.960 1.00 0.00 C ATOM 114 CZ2 TRP A 7 5.497 -7.071 -7.949 1.00 0.00 C ATOM 115 CZ3 TRP A 7 3.108 -6.728 -7.988 1.00 0.00 C ATOM 116 CH2 TRP A 7 4.267 -7.353 -8.473 1.00 0.00 C ATOM 0 H TRP A 7 4.713 -3.702 -1.866 1.00 0.00 H new ATOM 0 HA TRP A 7 5.693 -2.407 -4.363 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.411 -4.293 -3.834 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.335 -3.145 -5.155 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.855 -4.259 -4.587 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.609 -5.972 -6.362 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.273 -5.325 -6.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 6.388 -7.551 -8.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 2.151 -6.973 -8.424 1.00 0.00 H new ATOM 0 HH2 TRP A 7 4.185 -8.071 -9.276 1.00 0.00 H new ATOM 127 N VAL A 8 4.484 -0.343 -3.855 1.00 0.00 N ATOM 128 CA VAL A 8 3.862 0.926 -3.507 1.00 0.00 C ATOM 129 C VAL A 8 3.162 1.573 -4.696 1.00 0.00 C ATOM 130 O VAL A 8 3.689 1.599 -5.803 1.00 0.00 O ATOM 131 CB VAL A 8 4.914 1.916 -2.948 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.416 2.556 -1.665 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.257 1.224 -2.710 1.00 0.00 C ATOM 0 H VAL A 8 5.229 -0.272 -4.548 1.00 0.00 H new ATOM 0 HA VAL A 8 3.114 0.704 -2.746 1.00 0.00 H new ATOM 0 HB VAL A 8 5.065 2.697 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.169 3.248 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.492 3.098 -1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.229 1.782 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.974 1.946 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.127 0.415 -1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.629 0.818 -3.651 1.00 0.00 H new ATOM 143 N VAL A 9 1.977 2.116 -4.452 1.00 0.00 N ATOM 144 CA VAL A 9 1.219 2.790 -5.498 1.00 0.00 C ATOM 145 C VAL A 9 0.950 4.239 -5.096 1.00 0.00 C ATOM 146 O VAL A 9 0.106 4.505 -4.240 1.00 0.00 O ATOM 147 CB VAL A 9 -0.126 2.073 -5.797 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.267 1.827 -7.292 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.234 0.762 -5.028 1.00 0.00 C ATOM 0 H VAL A 9 1.520 2.103 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 9 1.820 2.762 -6.407 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.938 2.721 -5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.213 1.324 -7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.245 2.780 -7.821 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.556 1.201 -7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.186 0.283 -5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.584 0.102 -5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.177 0.962 -3.958 1.00 0.00 H new ATOM 159 N ASP A 10 1.680 5.174 -5.711 1.00 0.00 N ATOM 160 CA ASP A 10 1.517 6.595 -5.400 1.00 0.00 C ATOM 161 C ASP A 10 2.233 7.487 -6.417 1.00 0.00 C ATOM 162 O ASP A 10 3.255 8.097 -6.114 1.00 0.00 O ATOM 163 CB ASP A 10 2.048 6.897 -3.998 1.00 0.00 C ATOM 164 CG ASP A 10 1.334 8.067 -3.351 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.428 9.191 -3.890 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.685 7.863 -2.303 1.00 0.00 O ATOM 0 H ASP A 10 2.384 4.974 -6.421 1.00 0.00 H new ATOM 0 HA ASP A 10 0.450 6.814 -5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.934 6.013 -3.371 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.115 7.112 -4.055 1.00 0.00 H new ATOM 171 N ASP A 11 1.677 7.569 -7.619 1.00 0.00 N ATOM 172 CA ASP A 11 2.240 8.402 -8.687 1.00 0.00 C ATOM 173 C ASP A 11 3.632 7.939 -9.136 1.00 0.00 C ATOM 174 O ASP A 11 4.242 8.571 -9.997 1.00 0.00 O ATOM 175 CB ASP A 11 2.305 9.865 -8.236 1.00 0.00 C ATOM 176 CG ASP A 11 1.733 10.814 -9.272 1.00 0.00 C ATOM 177 OD1 ASP A 11 2.415 11.062 -10.288 1.00 0.00 O ATOM 178 OD2 ASP A 11 0.604 11.308 -9.067 1.00 0.00 O ATOM 0 H ASP A 11 0.830 7.067 -7.885 1.00 0.00 H new ATOM 0 HA ASP A 11 1.575 8.302 -9.545 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.757 9.979 -7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.342 10.134 -8.033 1.00 0.00 H new ATOM 183 N ASP A 12 4.131 6.842 -8.566 1.00 0.00 N ATOM 184 CA ASP A 12 5.449 6.315 -8.932 1.00 0.00 C ATOM 185 C ASP A 12 6.504 7.433 -9.023 1.00 0.00 C ATOM 186 O ASP A 12 6.407 8.439 -8.321 1.00 0.00 O ATOM 187 CB ASP A 12 5.347 5.549 -10.259 1.00 0.00 C ATOM 188 CG ASP A 12 5.085 6.462 -11.442 1.00 0.00 C ATOM 189 OD1 ASP A 12 6.064 6.964 -12.032 1.00 0.00 O ATOM 190 OD2 ASP A 12 3.901 6.672 -11.779 1.00 0.00 O ATOM 0 H ASP A 12 3.645 6.301 -7.851 1.00 0.00 H new ATOM 0 HA ASP A 12 5.775 5.632 -8.148 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.272 4.998 -10.428 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.546 4.813 -10.189 1.00 0.00 H new ATOM 195 N SER A 13 7.502 7.249 -9.897 1.00 0.00 N ATOM 196 CA SER A 13 8.572 8.223 -10.104 1.00 0.00 C ATOM 197 C SER A 13 8.969 8.956 -8.817 1.00 0.00 C ATOM 198 O SER A 13 9.827 8.486 -8.070 1.00 0.00 O ATOM 199 CB SER A 13 8.154 9.199 -11.200 1.00 0.00 C ATOM 200 OG SER A 13 9.282 9.722 -11.882 1.00 0.00 O ATOM 0 H SER A 13 7.587 6.417 -10.480 1.00 0.00 H new ATOM 0 HA SER A 13 9.465 7.683 -10.418 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.499 8.693 -11.910 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.580 10.016 -10.763 1.00 0.00 H new ATOM 0 HG SER A 13 8.984 10.343 -12.579 1.00 0.00 H new ATOM 206 N SER A 14 8.353 10.100 -8.562 1.00 0.00 N ATOM 207 CA SER A 14 8.654 10.883 -7.369 1.00 0.00 C ATOM 208 C SER A 14 8.516 10.026 -6.118 1.00 0.00 C ATOM 209 O SER A 14 9.499 9.745 -5.437 1.00 0.00 O ATOM 210 CB SER A 14 7.721 12.093 -7.285 1.00 0.00 C ATOM 211 OG SER A 14 8.294 13.127 -6.505 1.00 0.00 O ATOM 0 H SER A 14 7.640 10.509 -9.165 1.00 0.00 H new ATOM 0 HA SER A 14 9.684 11.234 -7.435 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.511 12.464 -8.288 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.768 11.791 -6.851 1.00 0.00 H new ATOM 0 HG SER A 14 7.679 13.889 -6.469 1.00 0.00 H new ATOM 217 N ILE A 15 7.290 9.601 -5.833 1.00 0.00 N ATOM 218 CA ILE A 15 7.033 8.763 -4.671 1.00 0.00 C ATOM 219 C ILE A 15 7.803 7.445 -4.767 1.00 0.00 C ATOM 220 O ILE A 15 8.030 6.773 -3.762 1.00 0.00 O ATOM 221 CB ILE A 15 5.527 8.470 -4.502 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.717 9.771 -4.541 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.279 7.729 -3.199 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.056 10.736 -3.427 1.00 0.00 C ATOM 0 H ILE A 15 6.464 9.822 -6.388 1.00 0.00 H new ATOM 0 HA ILE A 15 7.377 9.316 -3.797 1.00 0.00 H new ATOM 0 HB ILE A 15 5.202 7.839 -5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.884 10.263 -5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.656 9.529 -4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.213 7.528 -3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.827 6.787 -3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.619 8.340 -2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.442 11.632 -3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.861 10.263 -2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.109 11.010 -3.490 1.00 0.00 H new ATOM 236 N ARG A 16 8.201 7.085 -5.985 1.00 0.00 N ATOM 237 CA ARG A 16 8.945 5.851 -6.221 1.00 0.00 C ATOM 238 C ARG A 16 10.355 5.939 -5.652 1.00 0.00 C ATOM 239 O ARG A 16 10.758 5.120 -4.828 1.00 0.00 O ATOM 240 CB ARG A 16 9.018 5.556 -7.723 1.00 0.00 C ATOM 241 CG ARG A 16 9.789 4.286 -8.069 1.00 0.00 C ATOM 242 CD ARG A 16 10.139 4.232 -9.546 1.00 0.00 C ATOM 243 NE ARG A 16 11.548 3.913 -9.765 1.00 0.00 N ATOM 244 CZ ARG A 16 12.004 3.205 -10.798 1.00 0.00 C ATOM 245 NH1 ARG A 16 11.167 2.733 -11.716 1.00 0.00 N ATOM 246 NH2 ARG A 16 13.303 2.969 -10.916 1.00 0.00 N ATOM 0 H ARG A 16 8.020 7.633 -6.826 1.00 0.00 H new ATOM 0 HA ARG A 16 8.417 5.043 -5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.005 5.472 -8.116 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.486 6.402 -8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.702 4.241 -7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.193 3.413 -7.803 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.518 3.484 -10.038 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.909 5.192 -10.008 1.00 0.00 H new ATOM 0 HE ARG A 16 12.226 4.254 -9.084 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.166 2.912 -11.634 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.525 2.192 -12.503 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.952 3.329 -10.217 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.653 2.427 -11.706 1.00 0.00 H new ATOM 260 N TRP A 17 11.109 6.928 -6.114 1.00 0.00 N ATOM 261 CA TRP A 17 12.483 7.115 -5.668 1.00 0.00 C ATOM 262 C TRP A 17 12.577 7.335 -4.161 1.00 0.00 C ATOM 263 O TRP A 17 13.484 6.819 -3.511 1.00 0.00 O ATOM 264 CB TRP A 17 13.126 8.292 -6.400 1.00 0.00 C ATOM 265 CG TRP A 17 14.597 8.399 -6.154 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.577 7.593 -6.660 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.257 9.363 -5.328 1.00 0.00 C ATOM 268 NE1 TRP A 17 16.805 8.000 -6.204 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.637 9.085 -5.383 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.815 10.435 -4.550 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.578 9.840 -4.689 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.752 11.185 -3.859 1.00 0.00 C ATOM 273 CH2 TRP A 17 17.119 10.884 -3.934 1.00 0.00 C ATOM 0 H TRP A 17 10.791 7.614 -6.799 1.00 0.00 H new ATOM 0 HA TRP A 17 13.021 6.197 -5.904 1.00 0.00 H new ATOM 0 HB2 TRP A 17 12.949 8.188 -7.470 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.642 9.217 -6.085 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.409 6.757 -7.323 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.698 7.566 -6.438 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.764 10.674 -4.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.632 9.610 -4.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.424 12.016 -3.252 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.825 11.489 -3.384 1.00 0.00 H new ATOM 284 N VAL A 18 11.659 8.121 -3.608 1.00 0.00 N ATOM 285 CA VAL A 18 11.683 8.413 -2.178 1.00 0.00 C ATOM 286 C VAL A 18 11.388 7.184 -1.325 1.00 0.00 C ATOM 287 O VAL A 18 12.016 6.972 -0.288 1.00 0.00 O ATOM 288 CB VAL A 18 10.687 9.527 -1.795 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.063 10.127 -0.447 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.633 10.605 -2.869 1.00 0.00 C ATOM 0 H VAL A 18 10.897 8.563 -4.121 1.00 0.00 H new ATOM 0 HA VAL A 18 12.699 8.750 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 18 9.693 9.087 -1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.353 10.912 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.040 9.350 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.066 10.550 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.923 11.378 -2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.622 11.048 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.315 10.162 -3.813 1.00 0.00 H new ATOM 300 N LEU A 19 10.412 6.399 -1.746 1.00 0.00 N ATOM 301 CA LEU A 19 10.011 5.211 -0.999 1.00 0.00 C ATOM 302 C LEU A 19 10.871 3.994 -1.314 1.00 0.00 C ATOM 303 O LEU A 19 10.992 3.086 -0.494 1.00 0.00 O ATOM 304 CB LEU A 19 8.544 4.878 -1.274 1.00 0.00 C ATOM 305 CG LEU A 19 7.536 5.684 -0.456 1.00 0.00 C ATOM 306 CD1 LEU A 19 6.121 5.398 -0.928 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.682 5.372 1.028 1.00 0.00 C ATOM 0 H LEU A 19 9.880 6.560 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 19 10.152 5.449 0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.342 5.040 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.384 3.818 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 19 7.739 6.745 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.415 5.980 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.025 5.672 -1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.906 4.336 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.956 5.955 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.505 4.310 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.689 5.628 1.356 1.00 0.00 H new ATOM 319 N GLU A 20 11.437 3.961 -2.507 1.00 0.00 N ATOM 320 CA GLU A 20 12.259 2.833 -2.918 1.00 0.00 C ATOM 321 C GLU A 20 13.553 2.746 -2.116 1.00 0.00 C ATOM 322 O GLU A 20 13.831 1.738 -1.468 1.00 0.00 O ATOM 323 CB GLU A 20 12.549 2.890 -4.423 1.00 0.00 C ATOM 324 CG GLU A 20 13.526 3.972 -4.854 1.00 0.00 C ATOM 325 CD GLU A 20 13.774 3.967 -6.351 1.00 0.00 C ATOM 326 OE1 GLU A 20 12.849 3.601 -7.106 1.00 0.00 O ATOM 327 OE2 GLU A 20 14.895 4.331 -6.766 1.00 0.00 O ATOM 0 H GLU A 20 11.344 4.698 -3.207 1.00 0.00 H new ATOM 0 HA GLU A 20 11.691 1.926 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.941 1.923 -4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.608 3.041 -4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.139 4.946 -4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.472 3.832 -4.332 1.00 0.00 H new ATOM 334 N ARG A 21 14.346 3.802 -2.176 1.00 0.00 N ATOM 335 CA ARG A 21 15.624 3.853 -1.475 1.00 0.00 C ATOM 336 C ARG A 21 15.489 3.472 -0.002 1.00 0.00 C ATOM 337 O ARG A 21 16.204 2.595 0.485 1.00 0.00 O ATOM 338 CB ARG A 21 16.235 5.250 -1.608 1.00 0.00 C ATOM 339 CG ARG A 21 16.748 5.551 -3.008 1.00 0.00 C ATOM 340 CD ARG A 21 18.255 5.373 -3.102 1.00 0.00 C ATOM 341 NE ARG A 21 18.644 4.592 -4.273 1.00 0.00 N ATOM 342 CZ ARG A 21 19.905 4.295 -4.577 1.00 0.00 C ATOM 343 NH1 ARG A 21 20.897 4.708 -3.799 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.177 3.582 -5.662 1.00 0.00 N ATOM 0 H ARG A 21 14.127 4.645 -2.707 1.00 0.00 H new ATOM 0 HA ARG A 21 16.284 3.120 -1.938 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.487 5.994 -1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.056 5.349 -0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.258 4.893 -3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.484 6.573 -3.281 1.00 0.00 H new ATOM 0 HD2 ARG A 21 18.733 6.352 -3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.618 4.879 -2.201 1.00 0.00 H new ATOM 0 HE ARG A 21 17.907 4.255 -4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 21 20.695 5.256 -2.963 1.00 0.00 H new ATOM 0 HH12 ARG A 21 21.862 4.477 -4.037 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.419 3.261 -6.264 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.144 3.355 -5.894 1.00 0.00 H new ATOM 358 N ALA A 22 14.587 4.136 0.711 1.00 0.00 N ATOM 359 CA ALA A 22 14.390 3.858 2.130 1.00 0.00 C ATOM 360 C ALA A 22 14.118 2.382 2.389 1.00 0.00 C ATOM 361 O ALA A 22 14.758 1.763 3.239 1.00 0.00 O ATOM 362 CB ALA A 22 13.273 4.726 2.691 1.00 0.00 C ATOM 0 H ALA A 22 13.983 4.866 0.334 1.00 0.00 H new ATOM 0 HA ALA A 22 15.317 4.106 2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.139 4.506 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.533 5.777 2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.346 4.517 2.157 1.00 0.00 H new ATOM 368 N LEU A 23 13.176 1.824 1.651 1.00 0.00 N ATOM 369 CA LEU A 23 12.831 0.413 1.801 1.00 0.00 C ATOM 370 C LEU A 23 13.960 -0.467 1.277 1.00 0.00 C ATOM 371 O LEU A 23 14.201 -1.573 1.777 1.00 0.00 O ATOM 372 CB LEU A 23 11.526 0.095 1.073 1.00 0.00 C ATOM 373 CG LEU A 23 10.899 -1.253 1.427 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.639 -2.381 0.729 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.883 -1.470 2.934 1.00 0.00 C ATOM 0 H LEU A 23 12.635 2.320 0.943 1.00 0.00 H new ATOM 0 HA LEU A 23 12.690 0.205 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.805 0.882 1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.711 0.121 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 23 9.866 -1.249 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.180 -3.334 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.586 -2.238 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.682 -2.382 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.432 -2.437 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.904 -1.449 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.302 -0.680 3.409 1.00 0.00 H new ATOM 387 N ALA A 24 14.673 0.042 0.284 1.00 0.00 N ATOM 388 CA ALA A 24 15.791 -0.686 -0.274 1.00 0.00 C ATOM 389 C ALA A 24 16.885 -0.785 0.775 1.00 0.00 C ATOM 390 O ALA A 24 17.603 -1.783 0.851 1.00 0.00 O ATOM 391 CB ALA A 24 16.297 -0.016 -1.542 1.00 0.00 C ATOM 0 H ALA A 24 14.496 0.950 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 24 15.471 -1.690 -0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.138 -0.583 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.496 0.016 -2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.620 1.000 -1.313 1.00 0.00 H new ATOM 397 N GLY A 25 16.979 0.247 1.614 1.00 0.00 N ATOM 398 CA GLY A 25 17.956 0.236 2.679 1.00 0.00 C ATOM 399 C GLY A 25 17.684 -0.899 3.643 1.00 0.00 C ATOM 400 O GLY A 25 18.602 -1.425 4.274 1.00 0.00 O ATOM 0 H GLY A 25 16.397 1.083 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.957 0.132 2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.931 1.186 3.212 1.00 0.00 H new ATOM 404 N ALA A 26 16.412 -1.291 3.741 1.00 0.00 N ATOM 405 CA ALA A 26 16.019 -2.381 4.615 1.00 0.00 C ATOM 406 C ALA A 26 16.387 -3.725 3.992 1.00 0.00 C ATOM 407 O ALA A 26 16.438 -4.743 4.682 1.00 0.00 O ATOM 408 CB ALA A 26 14.524 -2.324 4.906 1.00 0.00 C ATOM 0 H ALA A 26 15.643 -0.866 3.224 1.00 0.00 H new ATOM 0 HA ALA A 26 16.558 -2.275 5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.249 -3.149 5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.284 -1.378 5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.968 -2.403 3.972 1.00 0.00 H new ATOM 414 N GLY A 27 16.676 -3.715 2.691 1.00 0.00 N ATOM 415 CA GLY A 27 17.070 -4.933 2.016 1.00 0.00 C ATOM 416 C GLY A 27 15.933 -5.654 1.316 1.00 0.00 C ATOM 417 O GLY A 27 16.001 -6.870 1.137 1.00 0.00 O ATOM 0 H GLY A 27 16.643 -2.886 2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.840 -4.695 1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.520 -5.609 2.743 1.00 0.00 H new ATOM 421 N LEU A 28 14.885 -4.936 0.910 1.00 0.00 N ATOM 422 CA LEU A 28 13.776 -5.590 0.229 1.00 0.00 C ATOM 423 C LEU A 28 13.468 -4.951 -1.120 1.00 0.00 C ATOM 424 O LEU A 28 13.938 -3.854 -1.428 1.00 0.00 O ATOM 425 CB LEU A 28 12.527 -5.622 1.109 1.00 0.00 C ATOM 426 CG LEU A 28 12.788 -5.546 2.613 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.768 -4.107 3.088 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.770 -6.380 3.370 1.00 0.00 C ATOM 0 H LEU A 28 14.784 -3.929 1.038 1.00 0.00 H new ATOM 0 HA LEU A 28 14.088 -6.616 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.881 -4.791 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.977 -6.539 0.898 1.00 0.00 H new ATOM 0 HG LEU A 28 13.779 -5.953 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.956 -4.075 4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.541 -3.541 2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.793 -3.668 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.970 -6.315 4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.767 -6.005 3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.841 -7.420 3.050 1.00 0.00 H new ATOM 440 N THR A 29 12.680 -5.659 -1.925 1.00 0.00 N ATOM 441 CA THR A 29 12.301 -5.186 -3.253 1.00 0.00 C ATOM 442 C THR A 29 11.254 -4.087 -3.156 1.00 0.00 C ATOM 443 O THR A 29 10.217 -4.271 -2.523 1.00 0.00 O ATOM 444 CB THR A 29 11.758 -6.342 -4.097 1.00 0.00 C ATOM 445 OG1 THR A 29 12.730 -7.363 -4.239 1.00 0.00 O ATOM 446 CG2 THR A 29 11.327 -5.921 -5.487 1.00 0.00 C ATOM 0 H THR A 29 12.289 -6.568 -1.678 1.00 0.00 H new ATOM 0 HA THR A 29 13.192 -4.781 -3.733 1.00 0.00 H new ATOM 0 HB THR A 29 10.883 -6.704 -3.557 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.362 -8.092 -4.780 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.953 -6.789 -6.030 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.539 -5.172 -5.412 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.179 -5.499 -6.020 1.00 0.00 H new ATOM 454 N CYS A 30 11.535 -2.947 -3.779 1.00 0.00 N ATOM 455 CA CYS A 30 10.624 -1.811 -3.755 1.00 0.00 C ATOM 456 C CYS A 30 10.286 -1.329 -5.163 1.00 0.00 C ATOM 457 O CYS A 30 11.129 -0.755 -5.853 1.00 0.00 O ATOM 458 CB CYS A 30 11.246 -0.671 -2.946 1.00 0.00 C ATOM 459 SG CYS A 30 12.982 -0.344 -3.334 1.00 0.00 S ATOM 0 H CYS A 30 12.392 -2.786 -4.309 1.00 0.00 H new ATOM 0 HA CYS A 30 9.695 -2.133 -3.285 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.670 0.238 -3.119 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.161 -0.906 -1.885 1.00 0.00 H new ATOM 0 HG CYS A 30 13.530 0.311 -2.354 1.00 0.00 H new ATOM 465 N THR A 31 9.038 -1.547 -5.573 1.00 0.00 N ATOM 466 CA THR A 31 8.577 -1.113 -6.889 1.00 0.00 C ATOM 467 C THR A 31 7.331 -0.247 -6.724 1.00 0.00 C ATOM 468 O THR A 31 6.570 -0.432 -5.774 1.00 0.00 O ATOM 469 CB THR A 31 8.278 -2.317 -7.798 1.00 0.00 C ATOM 470 OG1 THR A 31 8.318 -1.931 -9.160 1.00 0.00 O ATOM 471 CG2 THR A 31 6.916 -2.942 -7.568 1.00 0.00 C ATOM 0 H THR A 31 8.329 -2.021 -5.013 1.00 0.00 H new ATOM 0 HA THR A 31 9.367 -0.531 -7.364 1.00 0.00 H new ATOM 0 HB THR A 31 9.047 -3.049 -7.549 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.128 -2.708 -9.726 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.783 -3.784 -8.247 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.846 -3.292 -6.538 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.139 -2.200 -7.753 1.00 0.00 H new ATOM 479 N THR A 32 7.121 0.705 -7.627 1.00 0.00 N ATOM 480 CA THR A 32 5.962 1.583 -7.528 1.00 0.00 C ATOM 481 C THR A 32 5.140 1.619 -8.809 1.00 0.00 C ATOM 482 O THR A 32 5.609 1.248 -9.886 1.00 0.00 O ATOM 483 CB THR A 32 6.402 2.991 -7.151 1.00 0.00 C ATOM 484 OG1 THR A 32 7.182 3.573 -8.181 1.00 0.00 O ATOM 485 CG2 THR A 32 7.208 3.018 -5.877 1.00 0.00 C ATOM 0 H THR A 32 7.729 0.887 -8.425 1.00 0.00 H new ATOM 0 HA THR A 32 5.320 1.175 -6.747 1.00 0.00 H new ATOM 0 HB THR A 32 5.486 3.562 -7.002 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.488 2.873 -8.795 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.498 4.044 -5.651 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.607 2.622 -5.058 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.102 2.407 -5.999 1.00 0.00 H new ATOM 493 N PHE A 33 3.899 2.072 -8.666 1.00 0.00 N ATOM 494 CA PHE A 33 2.967 2.171 -9.781 1.00 0.00 C ATOM 495 C PHE A 33 2.234 3.510 -9.751 1.00 0.00 C ATOM 496 O PHE A 33 2.396 4.296 -8.816 1.00 0.00 O ATOM 497 CB PHE A 33 1.956 1.026 -9.762 1.00 0.00 C ATOM 498 CG PHE A 33 2.561 -0.340 -9.595 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.292 -0.660 -8.462 1.00 0.00 C ATOM 500 CD2 PHE A 33 2.394 -1.306 -10.574 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.847 -1.914 -8.309 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.945 -2.564 -10.427 1.00 0.00 C ATOM 503 CZ PHE A 33 3.675 -2.868 -9.295 1.00 0.00 C ATOM 0 H PHE A 33 3.512 2.380 -7.774 1.00 0.00 H new ATOM 0 HA PHE A 33 3.547 2.102 -10.702 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.248 1.197 -8.951 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.387 1.046 -10.691 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.429 0.082 -7.689 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.826 -1.073 -11.463 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.415 -2.150 -7.421 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.805 -3.309 -11.196 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.111 -3.849 -9.180 1.00 0.00 H new ATOM 513 N GLU A 34 1.455 3.776 -10.795 1.00 0.00 N ATOM 514 CA GLU A 34 0.728 5.032 -10.914 1.00 0.00 C ATOM 515 C GLU A 34 -0.238 5.249 -9.737 1.00 0.00 C ATOM 516 O GLU A 34 0.198 5.628 -8.649 1.00 0.00 O ATOM 517 CB GLU A 34 -0.009 5.050 -12.259 1.00 0.00 C ATOM 518 CG GLU A 34 -0.790 3.774 -12.555 1.00 0.00 C ATOM 519 CD GLU A 34 -2.262 4.024 -12.830 1.00 0.00 C ATOM 520 OE1 GLU A 34 -2.589 5.087 -13.398 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.087 3.156 -12.466 1.00 0.00 O ATOM 0 H GLU A 34 1.312 3.133 -11.574 1.00 0.00 H new ATOM 0 HA GLU A 34 1.438 5.859 -10.879 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.696 5.896 -12.274 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.716 5.214 -13.057 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.346 3.275 -13.416 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.696 3.093 -11.709 1.00 0.00 H new ATOM 528 N ASN A 35 -1.535 5.036 -9.943 1.00 0.00 N ATOM 529 CA ASN A 35 -2.514 5.237 -8.891 1.00 0.00 C ATOM 530 C ASN A 35 -2.719 3.980 -8.063 1.00 0.00 C ATOM 531 O ASN A 35 -2.322 3.913 -6.900 1.00 0.00 O ATOM 532 CB ASN A 35 -3.849 5.685 -9.492 1.00 0.00 C ATOM 533 CG ASN A 35 -4.723 6.421 -8.497 1.00 0.00 C ATOM 534 OD1 ASN A 35 -5.374 7.407 -8.847 1.00 0.00 O ATOM 535 ND2 ASN A 35 -4.747 5.947 -7.255 1.00 0.00 N ATOM 0 H ASN A 35 -1.928 4.724 -10.831 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.130 6.014 -8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.658 6.331 -10.349 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.386 4.812 -9.864 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.321 6.403 -6.546 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.191 5.127 -7.011 1.00 0.00 H new ATOM 542 N GLY A 36 -3.361 2.999 -8.665 1.00 0.00 N ATOM 543 CA GLY A 36 -3.639 1.759 -7.974 1.00 0.00 C ATOM 544 C GLY A 36 -4.012 0.629 -8.910 1.00 0.00 C ATOM 545 O GLY A 36 -3.674 -0.526 -8.657 1.00 0.00 O ATOM 0 H GLY A 36 -3.698 3.037 -9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.763 1.469 -7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.451 1.919 -7.265 1.00 0.00 H new ATOM 549 N ASN A 37 -4.711 0.953 -9.996 1.00 0.00 N ATOM 550 CA ASN A 37 -5.120 -0.059 -10.961 1.00 0.00 C ATOM 551 C ASN A 37 -3.901 -0.780 -11.510 1.00 0.00 C ATOM 552 O ASN A 37 -3.951 -1.968 -11.825 1.00 0.00 O ATOM 553 CB ASN A 37 -5.924 0.575 -12.098 1.00 0.00 C ATOM 554 CG ASN A 37 -7.273 1.085 -11.625 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.024 0.225 -10.944 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -7.632 2.237 -11.865 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.003 1.903 -10.227 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.758 -0.784 -10.455 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.355 1.399 -12.528 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.071 -0.159 -12.891 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.022 2.862 -12.392 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.540 2.567 -11.537 1.00 0.00 H new ATOM 563 N GLU A 38 -2.801 -0.049 -11.612 1.00 0.00 N ATOM 564 CA GLU A 38 -1.558 -0.608 -12.111 1.00 0.00 C ATOM 565 C GLU A 38 -1.153 -1.850 -11.320 1.00 0.00 C ATOM 566 O GLU A 38 -1.062 -2.940 -11.883 1.00 0.00 O ATOM 567 CB GLU A 38 -0.455 0.435 -12.020 1.00 0.00 C ATOM 568 CG GLU A 38 0.301 0.653 -13.319 1.00 0.00 C ATOM 569 CD GLU A 38 1.788 0.851 -13.094 1.00 0.00 C ATOM 570 OE1 GLU A 38 2.176 1.929 -12.592 1.00 0.00 O ATOM 571 OE2 GLU A 38 2.563 -0.071 -13.417 1.00 0.00 O ATOM 0 H GLU A 38 -2.746 0.936 -11.354 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.709 -0.899 -13.151 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.891 1.382 -11.702 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.252 0.134 -11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.146 -0.204 -13.975 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.106 1.525 -13.832 1.00 0.00 H new ATOM 578 N VAL A 39 -0.909 -1.695 -10.009 1.00 0.00 N ATOM 579 CA VAL A 39 -0.511 -2.841 -9.191 1.00 0.00 C ATOM 580 C VAL A 39 -1.458 -4.015 -9.402 1.00 0.00 C ATOM 581 O VAL A 39 -1.046 -5.171 -9.338 1.00 0.00 O ATOM 582 CB VAL A 39 -0.462 -2.528 -7.681 1.00 0.00 C ATOM 583 CG1 VAL A 39 0.307 -3.616 -6.942 1.00 0.00 C ATOM 584 CG2 VAL A 39 0.155 -1.167 -7.418 1.00 0.00 C ATOM 0 H VAL A 39 -0.979 -0.810 -9.507 1.00 0.00 H new ATOM 0 HA VAL A 39 0.497 -3.093 -9.520 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.486 -2.505 -7.308 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.334 -3.383 -5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.187 -4.576 -7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.325 -3.668 -7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.174 -0.978 -6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.172 -1.147 -7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.438 -0.397 -7.912 1.00 0.00 H new ATOM 594 N LEU A 40 -2.727 -3.716 -9.661 1.00 0.00 N ATOM 595 CA LEU A 40 -3.718 -4.763 -9.887 1.00 0.00 C ATOM 596 C LEU A 40 -3.308 -5.643 -11.059 1.00 0.00 C ATOM 597 O LEU A 40 -3.381 -6.870 -10.983 1.00 0.00 O ATOM 598 CB LEU A 40 -5.099 -4.166 -10.150 1.00 0.00 C ATOM 599 CG LEU A 40 -5.542 -3.085 -9.166 1.00 0.00 C ATOM 600 CD1 LEU A 40 -6.970 -2.672 -9.466 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.412 -3.576 -7.732 1.00 0.00 C ATOM 0 H LEU A 40 -3.092 -2.765 -9.719 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.769 -5.371 -8.984 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.109 -3.745 -11.155 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.834 -4.971 -10.134 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.893 -2.217 -9.281 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.281 -1.901 -8.761 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.030 -2.281 -10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.627 -3.537 -9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.733 -2.790 -7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.037 -4.457 -7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.372 -3.832 -7.528 1.00 0.00 H new ATOM 613 N ALA A 41 -2.865 -5.009 -12.140 1.00 0.00 N ATOM 614 CA ALA A 41 -2.432 -5.741 -13.322 1.00 0.00 C ATOM 615 C ALA A 41 -1.271 -6.656 -12.980 1.00 0.00 C ATOM 616 O ALA A 41 -1.282 -7.846 -13.295 1.00 0.00 O ATOM 617 CB ALA A 41 -2.047 -4.776 -14.434 1.00 0.00 C ATOM 0 H ALA A 41 -2.797 -3.994 -12.221 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.261 -6.355 -13.674 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.726 -5.340 -15.310 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.907 -4.159 -14.695 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.232 -4.137 -14.095 1.00 0.00 H new ATOM 623 N ALA A 42 -0.281 -6.089 -12.313 1.00 0.00 N ATOM 624 CA ALA A 42 0.893 -6.839 -11.892 1.00 0.00 C ATOM 625 C ALA A 42 0.511 -7.856 -10.823 1.00 0.00 C ATOM 626 O ALA A 42 1.097 -8.935 -10.732 1.00 0.00 O ATOM 627 CB ALA A 42 1.970 -5.892 -11.377 1.00 0.00 C ATOM 0 H ALA A 42 -0.266 -5.104 -12.049 1.00 0.00 H new ATOM 0 HA ALA A 42 1.294 -7.377 -12.751 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.842 -6.467 -11.066 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.256 -5.200 -12.170 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.584 -5.330 -10.527 1.00 0.00 H new ATOM 633 N LEU A 43 -0.490 -7.498 -10.023 1.00 0.00 N ATOM 634 CA LEU A 43 -0.982 -8.367 -8.962 1.00 0.00 C ATOM 635 C LEU A 43 -1.571 -9.643 -9.542 1.00 0.00 C ATOM 636 O LEU A 43 -1.614 -10.679 -8.880 1.00 0.00 O ATOM 637 CB LEU A 43 -2.048 -7.639 -8.139 1.00 0.00 C ATOM 638 CG LEU A 43 -1.529 -6.860 -6.933 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.599 -5.914 -6.417 1.00 0.00 C ATOM 640 CD2 LEU A 43 -1.092 -7.821 -5.844 1.00 0.00 C ATOM 0 H LEU A 43 -0.978 -6.605 -10.092 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.142 -8.629 -8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.579 -6.949 -8.794 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.776 -8.372 -7.790 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.667 -6.267 -7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.215 -5.365 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.873 -5.211 -7.204 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.478 -6.486 -6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.723 -7.257 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.940 -8.433 -5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.298 -8.464 -6.224 1.00 0.00 H new ATOM 652 N ALA A 44 -2.030 -9.556 -10.781 1.00 0.00 N ATOM 653 CA ALA A 44 -2.624 -10.699 -11.455 1.00 0.00 C ATOM 654 C ALA A 44 -1.637 -11.855 -11.550 1.00 0.00 C ATOM 655 O ALA A 44 -2.035 -13.014 -11.668 1.00 0.00 O ATOM 656 CB ALA A 44 -3.118 -10.301 -12.837 1.00 0.00 C ATOM 0 H ALA A 44 -2.002 -8.704 -11.341 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.476 -11.035 -10.864 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.560 -11.167 -13.329 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.868 -9.515 -12.743 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.281 -9.934 -13.431 1.00 0.00 H new ATOM 662 N SER A 45 -0.350 -11.533 -11.503 1.00 0.00 N ATOM 663 CA SER A 45 0.689 -12.544 -11.590 1.00 0.00 C ATOM 664 C SER A 45 1.707 -12.428 -10.456 1.00 0.00 C ATOM 665 O SER A 45 2.743 -13.093 -10.482 1.00 0.00 O ATOM 666 CB SER A 45 1.406 -12.452 -12.938 1.00 0.00 C ATOM 667 OG SER A 45 1.074 -13.551 -13.767 1.00 0.00 O ATOM 0 H SER A 45 -0.004 -10.579 -11.405 1.00 0.00 H new ATOM 0 HA SER A 45 0.200 -13.514 -11.497 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.133 -11.521 -13.436 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.484 -12.425 -12.779 1.00 0.00 H new ATOM 0 HG SER A 45 1.543 -13.468 -14.623 1.00 0.00 H new ATOM 673 N LYS A 46 1.426 -11.588 -9.466 1.00 0.00 N ATOM 674 CA LYS A 46 2.339 -11.417 -8.350 1.00 0.00 C ATOM 675 C LYS A 46 1.603 -11.152 -7.055 1.00 0.00 C ATOM 676 O LYS A 46 0.440 -10.748 -7.050 1.00 0.00 O ATOM 677 CB LYS A 46 3.297 -10.257 -8.596 1.00 0.00 C ATOM 678 CG LYS A 46 4.577 -10.341 -7.778 1.00 0.00 C ATOM 679 CD LYS A 46 5.601 -11.208 -8.465 1.00 0.00 C ATOM 680 CE LYS A 46 6.949 -11.151 -7.764 1.00 0.00 C ATOM 681 NZ LYS A 46 8.049 -11.648 -8.636 1.00 0.00 N ATOM 0 H LYS A 46 0.580 -11.021 -9.416 1.00 0.00 H new ATOM 0 HA LYS A 46 2.895 -12.351 -8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.554 -10.227 -9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.788 -9.321 -8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.984 -9.341 -7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.356 -10.746 -6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.247 -12.239 -8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.715 -10.885 -9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.159 -10.124 -7.464 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.910 -11.748 -6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.951 -11.593 -8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.862 -12.636 -8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.103 -11.063 -9.494 1.00 0.00 H new ATOM 695 N THR A 47 2.314 -11.344 -5.960 1.00 0.00 N ATOM 696 CA THR A 47 1.765 -11.088 -4.647 1.00 0.00 C ATOM 697 C THR A 47 2.813 -10.406 -3.763 1.00 0.00 C ATOM 698 O THR A 47 3.801 -11.028 -3.373 1.00 0.00 O ATOM 699 CB THR A 47 1.298 -12.397 -3.998 1.00 0.00 C ATOM 700 OG1 THR A 47 0.292 -13.027 -4.778 1.00 0.00 O ATOM 701 CG2 THR A 47 0.737 -12.208 -2.605 1.00 0.00 C ATOM 0 H THR A 47 3.278 -11.678 -5.957 1.00 0.00 H new ATOM 0 HA THR A 47 0.905 -10.426 -4.752 1.00 0.00 H new ATOM 0 HB THR A 47 2.194 -13.015 -3.938 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.014 -13.859 -4.342 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.426 -13.173 -2.204 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.503 -11.777 -1.960 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.122 -11.538 -2.646 1.00 0.00 H new ATOM 709 N PRO A 48 2.611 -9.118 -3.431 1.00 0.00 N ATOM 710 CA PRO A 48 3.543 -8.370 -2.590 1.00 0.00 C ATOM 711 C PRO A 48 3.334 -8.671 -1.109 1.00 0.00 C ATOM 712 O PRO A 48 2.216 -8.954 -0.679 1.00 0.00 O ATOM 713 CB PRO A 48 3.199 -6.916 -2.910 1.00 0.00 C ATOM 714 CG PRO A 48 1.751 -6.935 -3.250 1.00 0.00 C ATOM 715 CD PRO A 48 1.472 -8.285 -3.860 1.00 0.00 C ATOM 0 HA PRO A 48 4.585 -8.623 -2.784 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.397 -6.266 -2.058 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.796 -6.542 -3.742 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.142 -6.778 -2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.506 -6.135 -3.949 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.525 -8.693 -3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.409 -8.226 -4.947 1.00 0.00 H new ATOM 723 N ASP A 49 4.410 -8.620 -0.332 1.00 0.00 N ATOM 724 CA ASP A 49 4.330 -8.898 1.097 1.00 0.00 C ATOM 725 C ASP A 49 3.685 -7.735 1.844 1.00 0.00 C ATOM 726 O ASP A 49 3.031 -7.926 2.869 1.00 0.00 O ATOM 727 CB ASP A 49 5.723 -9.174 1.667 1.00 0.00 C ATOM 728 CG ASP A 49 6.348 -10.428 1.085 1.00 0.00 C ATOM 729 OD1 ASP A 49 7.026 -10.324 0.041 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.158 -11.514 1.672 1.00 0.00 O ATOM 0 H ASP A 49 5.346 -8.389 -0.666 1.00 0.00 H new ATOM 0 HA ASP A 49 3.709 -9.783 1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.371 -8.321 1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.656 -9.274 2.750 1.00 0.00 H new ATOM 735 N VAL A 50 3.882 -6.529 1.327 1.00 0.00 N ATOM 736 CA VAL A 50 3.330 -5.332 1.944 1.00 0.00 C ATOM 737 C VAL A 50 3.036 -4.269 0.885 1.00 0.00 C ATOM 738 O VAL A 50 3.917 -3.499 0.499 1.00 0.00 O ATOM 739 CB VAL A 50 4.310 -4.768 2.988 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.662 -4.511 2.349 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.756 -3.505 3.624 1.00 0.00 C ATOM 0 H VAL A 50 4.422 -6.355 0.479 1.00 0.00 H new ATOM 0 HA VAL A 50 2.398 -5.603 2.440 1.00 0.00 H new ATOM 0 HB VAL A 50 4.439 -5.506 3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.348 -4.112 3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.061 -5.445 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.550 -3.791 1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.467 -3.126 4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.593 -2.751 2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.810 -3.731 4.117 1.00 0.00 H new ATOM 751 N LEU A 51 1.794 -4.248 0.407 1.00 0.00 N ATOM 752 CA LEU A 51 1.374 -3.297 -0.622 1.00 0.00 C ATOM 753 C LEU A 51 0.912 -1.970 -0.010 1.00 0.00 C ATOM 754 O LEU A 51 0.260 -1.949 1.031 1.00 0.00 O ATOM 755 CB LEU A 51 0.255 -3.920 -1.467 1.00 0.00 C ATOM 756 CG LEU A 51 -0.132 -3.156 -2.738 1.00 0.00 C ATOM 757 CD1 LEU A 51 1.006 -3.174 -3.747 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.392 -3.756 -3.347 1.00 0.00 C ATOM 0 H LEU A 51 1.057 -4.881 0.717 1.00 0.00 H new ATOM 0 HA LEU A 51 2.231 -3.078 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.559 -4.927 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.633 -4.019 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.331 -2.118 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.708 -2.626 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.887 -2.705 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.239 -4.205 -4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.658 -3.205 -4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.212 -4.801 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.209 -3.692 -2.629 1.00 0.00 H new ATOM 770 N LEU A 52 1.264 -0.868 -0.672 1.00 0.00 N ATOM 771 CA LEU A 52 0.896 0.475 -0.213 1.00 0.00 C ATOM 772 C LEU A 52 0.096 1.199 -1.291 1.00 0.00 C ATOM 773 O LEU A 52 0.624 1.482 -2.361 1.00 0.00 O ATOM 774 CB LEU A 52 2.164 1.277 0.095 1.00 0.00 C ATOM 775 CG LEU A 52 2.257 1.876 1.499 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.707 1.943 1.948 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.625 3.260 1.535 1.00 0.00 C ATOM 0 H LEU A 52 1.808 -0.878 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 52 0.287 0.385 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.026 0.628 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.242 2.088 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 52 1.708 1.232 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.759 2.371 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.131 0.939 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.273 2.567 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.701 3.669 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.145 3.916 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.575 3.188 1.251 1.00 0.00 H new ATOM 789 N SER A 53 -1.173 1.497 -1.019 1.00 0.00 N ATOM 790 CA SER A 53 -2.012 2.183 -2.002 1.00 0.00 C ATOM 791 C SER A 53 -2.285 3.635 -1.611 1.00 0.00 C ATOM 792 O SER A 53 -2.453 3.962 -0.437 1.00 0.00 O ATOM 793 CB SER A 53 -3.335 1.435 -2.186 1.00 0.00 C ATOM 794 OG SER A 53 -3.604 1.202 -3.556 1.00 0.00 O ATOM 0 H SER A 53 -1.639 1.278 -0.138 1.00 0.00 H new ATOM 0 HA SER A 53 -1.464 2.192 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.296 0.485 -1.653 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.147 2.014 -1.746 1.00 0.00 H new ATOM 0 HG SER A 53 -4.252 0.472 -3.643 1.00 0.00 H new ATOM 800 N ASP A 54 -2.333 4.505 -2.616 1.00 0.00 N ATOM 801 CA ASP A 54 -2.594 5.921 -2.392 1.00 0.00 C ATOM 802 C ASP A 54 -4.093 6.190 -2.275 1.00 0.00 C ATOM 803 O ASP A 54 -4.905 5.266 -2.330 1.00 0.00 O ATOM 804 CB ASP A 54 -1.994 6.757 -3.524 1.00 0.00 C ATOM 805 CG ASP A 54 -2.448 6.291 -4.894 1.00 0.00 C ATOM 806 OD1 ASP A 54 -3.400 5.485 -4.964 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.849 6.730 -5.898 1.00 0.00 O ATOM 0 H ASP A 54 -2.194 4.252 -3.594 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.122 6.208 -1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.274 7.801 -3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.906 6.709 -3.470 1.00 0.00 H new ATOM 812 N ILE A 55 -4.449 7.462 -2.117 1.00 0.00 N ATOM 813 CA ILE A 55 -5.847 7.862 -1.996 1.00 0.00 C ATOM 814 C ILE A 55 -6.022 9.341 -2.338 1.00 0.00 C ATOM 815 O ILE A 55 -5.055 10.103 -2.334 1.00 0.00 O ATOM 816 CB ILE A 55 -6.371 7.590 -0.572 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.841 7.991 -0.431 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.526 8.325 0.439 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.625 7.100 0.510 1.00 0.00 C ATOM 0 H ILE A 55 -3.786 8.235 -2.070 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.425 7.268 -2.704 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.301 6.518 -0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.896 9.019 -0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.311 7.969 -1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.904 8.127 1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.493 7.984 0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.570 9.396 0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.658 7.444 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.602 6.074 0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.180 7.140 1.504 1.00 0.00 H new ATOM 831 N ARG A 56 -7.256 9.732 -2.649 1.00 0.00 N ATOM 832 CA ARG A 56 -7.580 11.109 -3.015 1.00 0.00 C ATOM 833 C ARG A 56 -7.170 11.389 -4.458 1.00 0.00 C ATOM 834 O ARG A 56 -6.471 12.361 -4.741 1.00 0.00 O ATOM 835 CB ARG A 56 -6.913 12.111 -2.064 1.00 0.00 C ATOM 836 CG ARG A 56 -7.364 13.548 -2.283 1.00 0.00 C ATOM 837 CD ARG A 56 -6.210 14.446 -2.709 1.00 0.00 C ATOM 838 NE ARG A 56 -5.860 15.416 -1.672 1.00 0.00 N ATOM 839 CZ ARG A 56 -6.565 16.518 -1.415 1.00 0.00 C ATOM 840 NH1 ARG A 56 -7.647 16.805 -2.127 1.00 0.00 N ATOM 841 NH2 ARG A 56 -6.181 17.338 -0.444 1.00 0.00 N ATOM 0 H ARG A 56 -8.059 9.103 -2.654 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.659 11.232 -2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.130 11.823 -1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.832 12.055 -2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.143 13.572 -3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.805 13.934 -1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.339 13.832 -2.940 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.480 14.974 -3.623 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.026 15.239 -1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.945 16.181 -2.877 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.181 17.650 -1.925 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.348 17.124 0.104 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.719 18.182 -0.246 1.00 0.00 H new ATOM 855 N MET A 57 -7.617 10.523 -5.367 1.00 0.00 N ATOM 856 CA MET A 57 -7.305 10.668 -6.785 1.00 0.00 C ATOM 857 C MET A 57 -8.248 9.816 -7.644 1.00 0.00 C ATOM 858 O MET A 57 -9.035 10.348 -8.427 1.00 0.00 O ATOM 859 CB MET A 57 -5.848 10.270 -7.053 1.00 0.00 C ATOM 860 CG MET A 57 -4.899 11.452 -7.171 1.00 0.00 C ATOM 861 SD MET A 57 -3.792 11.320 -8.590 1.00 0.00 S ATOM 862 CE MET A 57 -4.101 12.881 -9.411 1.00 0.00 C ATOM 0 H MET A 57 -8.197 9.714 -5.145 1.00 0.00 H new ATOM 0 HA MET A 57 -7.444 11.715 -7.056 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.505 9.620 -6.248 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.804 9.688 -7.973 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.479 12.371 -7.253 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.306 11.529 -6.259 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.487 12.947 -10.309 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.154 12.946 -9.685 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.850 13.702 -8.739 1.00 0.00 H new ATOM 872 N PRO A 58 -8.170 8.478 -7.511 1.00 0.00 N ATOM 873 CA PRO A 58 -9.008 7.543 -8.280 1.00 0.00 C ATOM 874 C PRO A 58 -10.493 7.656 -7.939 1.00 0.00 C ATOM 875 O PRO A 58 -10.933 8.643 -7.350 1.00 0.00 O ATOM 876 CB PRO A 58 -8.475 6.165 -7.871 1.00 0.00 C ATOM 877 CG PRO A 58 -7.831 6.385 -6.551 1.00 0.00 C ATOM 878 CD PRO A 58 -7.251 7.770 -6.610 1.00 0.00 C ATOM 0 HA PRO A 58 -8.950 7.744 -9.350 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.280 5.434 -7.801 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.761 5.784 -8.601 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.556 6.298 -5.742 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.055 5.643 -6.365 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.215 8.234 -5.624 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -6.232 7.764 -6.997 1.00 0.00 H new ATOM 886 N GLY A 59 -11.259 6.637 -8.324 1.00 0.00 N ATOM 887 CA GLY A 59 -12.690 6.629 -8.063 1.00 0.00 C ATOM 888 C GLY A 59 -13.028 6.874 -6.604 1.00 0.00 C ATOM 889 O GLY A 59 -13.209 8.017 -6.188 1.00 0.00 O ATOM 0 H GLY A 59 -10.912 5.813 -8.815 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.170 7.393 -8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.104 5.669 -8.370 1.00 0.00 H new ATOM 893 N MET A 60 -13.114 5.800 -5.825 1.00 0.00 N ATOM 894 CA MET A 60 -13.437 5.907 -4.403 1.00 0.00 C ATOM 895 C MET A 60 -12.258 6.479 -3.622 1.00 0.00 C ATOM 896 O MET A 60 -11.762 5.855 -2.682 1.00 0.00 O ATOM 897 CB MET A 60 -13.832 4.540 -3.838 1.00 0.00 C ATOM 898 CG MET A 60 -14.864 4.613 -2.722 1.00 0.00 C ATOM 899 SD MET A 60 -16.522 4.172 -3.277 1.00 0.00 S ATOM 900 CE MET A 60 -16.273 2.468 -3.771 1.00 0.00 C ATOM 0 H MET A 60 -12.965 4.846 -6.153 1.00 0.00 H new ATOM 0 HA MET A 60 -14.283 6.586 -4.298 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.227 3.923 -4.646 1.00 0.00 H new ATOM 0 HB3 MET A 60 -12.939 4.040 -3.463 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.566 3.945 -1.913 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.879 5.623 -2.312 1.00 0.00 H new ATOM 0 HE1 MET A 60 -17.187 1.901 -3.594 1.00 0.00 H new ATOM 0 HE2 MET A 60 -16.021 2.430 -4.831 1.00 0.00 H new ATOM 0 HE3 MET A 60 -15.459 2.036 -3.189 1.00 0.00 H new ATOM 910 N ASP A 61 -11.819 7.671 -4.020 1.00 0.00 N ATOM 911 CA ASP A 61 -10.702 8.339 -3.367 1.00 0.00 C ATOM 912 C ASP A 61 -9.439 7.493 -3.442 1.00 0.00 C ATOM 913 O ASP A 61 -8.520 7.797 -4.194 1.00 0.00 O ATOM 914 CB ASP A 61 -11.043 8.636 -1.906 1.00 0.00 C ATOM 915 CG ASP A 61 -11.017 10.119 -1.599 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.067 10.776 -1.760 1.00 0.00 O ATOM 917 OD2 ASP A 61 -9.948 10.623 -1.195 1.00 0.00 O ATOM 0 H ASP A 61 -12.224 8.194 -4.796 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.519 9.277 -3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.032 8.237 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.334 8.121 -1.258 1.00 0.00 H new ATOM 922 N GLY A 62 -9.399 6.443 -2.641 1.00 0.00 N ATOM 923 CA GLY A 62 -8.241 5.565 -2.610 1.00 0.00 C ATOM 924 C GLY A 62 -8.595 4.155 -2.196 1.00 0.00 C ATOM 925 O GLY A 62 -7.949 3.193 -2.608 1.00 0.00 O ATOM 0 H GLY A 62 -10.151 6.178 -2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.778 5.545 -3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.501 5.969 -1.918 1.00 0.00 H new ATOM 929 N LEU A 63 -9.623 4.034 -1.374 1.00 0.00 N ATOM 930 CA LEU A 63 -10.069 2.740 -0.901 1.00 0.00 C ATOM 931 C LEU A 63 -10.623 1.905 -2.047 1.00 0.00 C ATOM 932 O LEU A 63 -10.663 0.679 -1.969 1.00 0.00 O ATOM 933 CB LEU A 63 -11.128 2.900 0.182 1.00 0.00 C ATOM 934 CG LEU A 63 -10.965 4.115 1.098 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.715 5.321 0.556 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.443 3.766 2.490 1.00 0.00 C ATOM 0 H LEU A 63 -10.165 4.822 -1.020 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.207 2.224 -0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.105 2.959 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.129 2.001 0.799 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.909 4.382 1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.579 6.167 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.328 5.577 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.776 5.085 0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.327 4.632 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.494 3.478 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.853 2.936 2.880 1.00 0.00 H new ATOM 948 N ALA A 64 -11.039 2.570 -3.122 1.00 0.00 N ATOM 949 CA ALA A 64 -11.573 1.870 -4.283 1.00 0.00 C ATOM 950 C ALA A 64 -10.567 0.836 -4.774 1.00 0.00 C ATOM 951 O ALA A 64 -10.934 -0.211 -5.312 1.00 0.00 O ATOM 952 CB ALA A 64 -11.910 2.855 -5.391 1.00 0.00 C ATOM 0 H ALA A 64 -11.016 3.586 -3.212 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.490 1.357 -3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.307 2.314 -6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.655 3.565 -5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.009 3.393 -5.686 1.00 0.00 H new ATOM 958 N LEU A 65 -9.290 1.138 -4.563 1.00 0.00 N ATOM 959 CA LEU A 65 -8.217 0.244 -4.962 1.00 0.00 C ATOM 960 C LEU A 65 -8.277 -1.038 -4.145 1.00 0.00 C ATOM 961 O LEU A 65 -8.164 -2.137 -4.685 1.00 0.00 O ATOM 962 CB LEU A 65 -6.855 0.922 -4.773 1.00 0.00 C ATOM 963 CG LEU A 65 -6.535 2.057 -5.755 1.00 0.00 C ATOM 964 CD1 LEU A 65 -6.941 1.681 -7.171 1.00 0.00 C ATOM 965 CD2 LEU A 65 -7.215 3.353 -5.333 1.00 0.00 C ATOM 0 H LEU A 65 -8.976 1.999 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.341 0.001 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.805 1.319 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.077 0.163 -4.857 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.457 2.216 -5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.704 2.502 -7.848 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.398 0.788 -7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.012 1.483 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.971 4.141 -6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.295 3.206 -5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.866 3.641 -4.341 1.00 0.00 H new ATOM 977 N LEU A 66 -8.465 -0.890 -2.837 1.00 0.00 N ATOM 978 CA LEU A 66 -8.550 -2.039 -1.941 1.00 0.00 C ATOM 979 C LEU A 66 -9.576 -3.041 -2.454 1.00 0.00 C ATOM 980 O LEU A 66 -9.329 -4.249 -2.468 1.00 0.00 O ATOM 981 CB LEU A 66 -8.921 -1.594 -0.525 1.00 0.00 C ATOM 982 CG LEU A 66 -8.132 -0.402 0.020 1.00 0.00 C ATOM 983 CD1 LEU A 66 -8.882 0.240 1.172 1.00 0.00 C ATOM 984 CD2 LEU A 66 -6.740 -0.833 0.459 1.00 0.00 C ATOM 0 H LEU A 66 -8.561 0.014 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.571 -2.518 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.982 -1.343 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.782 -2.438 0.150 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.022 0.334 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.310 1.087 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.856 0.586 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.020 -0.491 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.196 0.030 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.823 -1.588 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.203 -1.251 -0.393 1.00 0.00 H new ATOM 996 N LYS A 67 -10.729 -2.532 -2.883 1.00 0.00 N ATOM 997 CA LYS A 67 -11.795 -3.380 -3.408 1.00 0.00 C ATOM 998 C LYS A 67 -11.274 -4.246 -4.551 1.00 0.00 C ATOM 999 O LYS A 67 -11.564 -5.440 -4.624 1.00 0.00 O ATOM 1000 CB LYS A 67 -12.966 -2.525 -3.897 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.326 -3.171 -3.681 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.441 -2.355 -4.316 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.887 -1.214 -3.413 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.309 -1.361 -2.996 1.00 0.00 N ATOM 0 H LYS A 67 -10.948 -1.536 -2.877 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.142 -4.029 -2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.944 -1.565 -3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.836 -2.320 -4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.323 -4.176 -4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.514 -3.276 -2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.100 -1.952 -5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.291 -3.004 -4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.251 -1.181 -2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.758 -0.266 -3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.575 -0.565 -2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.919 -1.367 -3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.428 -2.254 -2.476 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.510 -3.635 -5.448 1.00 0.00 N ATOM 1019 CA GLN A 68 -9.957 -4.353 -6.588 1.00 0.00 C ATOM 1020 C GLN A 68 -8.863 -5.330 -6.149 1.00 0.00 C ATOM 1021 O GLN A 68 -8.820 -6.471 -6.610 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.396 -3.375 -7.624 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.318 -2.207 -7.948 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.515 -2.621 -8.781 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -11.433 -3.543 -9.590 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -12.637 -1.937 -8.586 1.00 0.00 N ATOM 0 H GLN A 68 -10.260 -2.647 -5.408 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.767 -4.923 -7.042 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.447 -2.983 -7.259 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.183 -3.921 -8.543 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.666 -1.755 -7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.755 -1.442 -8.483 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.660 -1.179 -7.904 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.475 -2.170 -9.118 1.00 0.00 H new ATOM 1035 N ILE A 69 -7.979 -4.879 -5.259 1.00 0.00 N ATOM 1036 CA ILE A 69 -6.887 -5.719 -4.765 1.00 0.00 C ATOM 1037 C ILE A 69 -7.415 -6.958 -4.058 1.00 0.00 C ATOM 1038 O ILE A 69 -6.826 -8.035 -4.140 1.00 0.00 O ATOM 1039 CB ILE A 69 -5.969 -4.951 -3.790 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.443 -3.667 -4.433 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -4.808 -5.830 -3.342 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -4.814 -2.714 -3.441 1.00 0.00 C ATOM 0 H ILE A 69 -7.997 -3.938 -4.866 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.311 -6.016 -5.642 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.559 -4.680 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.707 -3.926 -5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.264 -3.161 -4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.172 -5.271 -2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.195 -6.716 -2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.225 -6.133 -4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.462 -1.825 -3.964 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.553 -2.427 -2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.973 -3.203 -2.950 1.00 0.00 H new ATOM 1054 N LYS A 70 -8.522 -6.791 -3.354 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.128 -7.888 -2.617 1.00 0.00 C ATOM 1056 C LYS A 70 -9.800 -8.880 -3.556 1.00 0.00 C ATOM 1057 O LYS A 70 -9.920 -10.063 -3.239 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.129 -7.357 -1.594 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.342 -6.686 -2.206 1.00 0.00 C ATOM 1060 CD LYS A 70 -12.459 -6.521 -1.188 1.00 0.00 C ATOM 1061 CE LYS A 70 -13.783 -6.200 -1.859 1.00 0.00 C ATOM 1062 NZ LYS A 70 -14.327 -7.369 -2.604 1.00 0.00 N ATOM 0 H LYS A 70 -9.020 -5.904 -3.277 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.334 -8.414 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.462 -8.183 -0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.623 -6.645 -0.942 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.059 -5.710 -2.599 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.700 -7.278 -3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.559 -7.436 -0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.201 -5.724 -0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.504 -5.882 -1.106 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.649 -5.363 -2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.333 -7.209 -2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.802 -7.489 -3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.227 -8.227 -2.025 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.228 -8.396 -4.712 1.00 0.00 N ATOM 1077 CA GLN A 71 -10.877 -9.248 -5.695 1.00 0.00 C ATOM 1078 C GLN A 71 -9.906 -10.292 -6.225 1.00 0.00 C ATOM 1079 O GLN A 71 -10.271 -11.447 -6.453 1.00 0.00 O ATOM 1080 CB GLN A 71 -11.429 -8.409 -6.845 1.00 0.00 C ATOM 1081 CG GLN A 71 -12.937 -8.246 -6.803 1.00 0.00 C ATOM 1082 CD GLN A 71 -13.405 -7.018 -7.552 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -14.162 -7.115 -8.516 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -12.948 -5.851 -7.111 1.00 0.00 N ATOM 0 H GLN A 71 -10.138 -7.419 -4.992 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.705 -9.762 -5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.964 -7.424 -6.822 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.147 -8.872 -7.791 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.407 -9.131 -7.232 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.264 -8.182 -5.765 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.321 -5.820 -6.307 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.224 -4.986 -7.577 1.00 0.00 H new ATOM 1093 N ARG A 72 -8.668 -9.871 -6.423 1.00 0.00 N ATOM 1094 CA ARG A 72 -7.626 -10.756 -6.932 1.00 0.00 C ATOM 1095 C ARG A 72 -6.823 -11.375 -5.793 1.00 0.00 C ATOM 1096 O ARG A 72 -6.228 -12.442 -5.946 1.00 0.00 O ATOM 1097 CB ARG A 72 -6.700 -9.995 -7.881 1.00 0.00 C ATOM 1098 CG ARG A 72 -6.991 -10.266 -9.348 1.00 0.00 C ATOM 1099 CD ARG A 72 -5.845 -9.816 -10.236 1.00 0.00 C ATOM 1100 NE ARG A 72 -6.199 -9.870 -11.654 1.00 0.00 N ATOM 1101 CZ ARG A 72 -6.395 -11.000 -12.329 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -6.249 -12.177 -11.733 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -6.736 -10.954 -13.610 1.00 0.00 N ATOM 0 H ARG A 72 -8.356 -8.918 -6.239 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.109 -11.564 -7.481 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.794 -8.926 -7.690 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.667 -10.267 -7.666 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.169 -11.332 -9.494 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.904 -9.748 -9.640 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.559 -8.798 -9.972 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.976 -10.448 -10.055 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.302 -8.988 -12.156 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.984 -12.221 -10.749 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.402 -13.037 -12.259 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.848 -10.054 -14.076 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.887 -11.819 -14.129 1.00 0.00 H new ATOM 1117 N HIS A 73 -6.804 -10.696 -4.654 1.00 0.00 N ATOM 1118 CA HIS A 73 -6.068 -11.176 -3.492 1.00 0.00 C ATOM 1119 C HIS A 73 -6.849 -10.924 -2.202 1.00 0.00 C ATOM 1120 O HIS A 73 -6.874 -9.806 -1.694 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.715 -10.475 -3.426 1.00 0.00 C ATOM 1122 CG HIS A 73 -3.924 -10.607 -4.684 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -3.141 -11.704 -4.970 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -3.808 -9.776 -5.746 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -2.578 -11.544 -6.152 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -2.966 -10.384 -6.647 1.00 0.00 N ATOM 0 H HIS A 73 -7.290 -9.811 -4.510 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.923 -12.252 -3.593 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.871 -9.418 -3.211 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.139 -10.887 -2.597 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.016 -12.514 -4.362 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.287 -8.815 -5.864 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.912 -12.244 -6.634 1.00 0.00 H new ATOM 1135 N PRO A 74 -7.505 -11.965 -1.653 1.00 0.00 N ATOM 1136 CA PRO A 74 -8.297 -11.841 -0.422 1.00 0.00 C ATOM 1137 C PRO A 74 -7.450 -11.789 0.852 1.00 0.00 C ATOM 1138 O PRO A 74 -7.985 -11.901 1.955 1.00 0.00 O ATOM 1139 CB PRO A 74 -9.147 -13.109 -0.437 1.00 0.00 C ATOM 1140 CG PRO A 74 -8.306 -14.111 -1.148 1.00 0.00 C ATOM 1141 CD PRO A 74 -7.537 -13.340 -2.190 1.00 0.00 C ATOM 0 HA PRO A 74 -8.863 -10.910 -0.406 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.388 -13.438 0.574 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.093 -12.947 -0.953 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -7.630 -14.615 -0.457 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.923 -14.882 -1.609 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.532 -13.741 -2.325 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.029 -13.379 -3.162 1.00 0.00 H new ATOM 1149 N MET A 75 -6.135 -11.623 0.705 1.00 0.00 N ATOM 1150 CA MET A 75 -5.246 -11.564 1.862 1.00 0.00 C ATOM 1151 C MET A 75 -4.046 -10.640 1.617 1.00 0.00 C ATOM 1152 O MET A 75 -3.085 -10.650 2.385 1.00 0.00 O ATOM 1153 CB MET A 75 -4.778 -12.974 2.232 1.00 0.00 C ATOM 1154 CG MET A 75 -5.881 -13.836 2.832 1.00 0.00 C ATOM 1155 SD MET A 75 -5.483 -15.593 2.822 1.00 0.00 S ATOM 1156 CE MET A 75 -5.687 -15.995 4.554 1.00 0.00 C ATOM 0 H MET A 75 -5.667 -11.528 -0.196 1.00 0.00 H new ATOM 0 HA MET A 75 -5.808 -11.143 2.695 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.387 -13.465 1.341 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.955 -12.901 2.943 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.067 -13.517 3.857 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.804 -13.675 2.275 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.475 -17.053 4.709 1.00 0.00 H new ATOM 0 HE2 MET A 75 -4.999 -15.395 5.150 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.712 -15.782 4.859 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.108 -9.837 0.549 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.027 -8.911 0.214 1.00 0.00 C ATOM 1168 C LEU A 76 -3.036 -7.683 1.125 1.00 0.00 C ATOM 1169 O LEU A 76 -3.928 -6.840 1.031 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.157 -8.452 -1.243 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.854 -8.338 -2.036 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.205 -6.991 -1.773 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.903 -9.478 -1.702 1.00 0.00 C ATOM 0 H LEU A 76 -4.897 -9.812 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.086 -9.443 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.815 -9.148 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.650 -7.480 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.088 -8.412 -3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.278 -6.917 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.883 -6.194 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.988 -6.893 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.014 -9.369 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.665 -9.454 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.375 -10.429 -1.946 1.00 0.00 H new ATOM 1185 N PRO A 77 -2.033 -7.556 2.013 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.930 -6.412 2.928 1.00 0.00 C ATOM 1187 C PRO A 77 -1.759 -5.095 2.176 1.00 0.00 C ATOM 1188 O PRO A 77 -0.882 -4.969 1.322 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.671 -6.721 3.751 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.448 -8.184 3.578 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.923 -8.502 2.194 1.00 0.00 C ATOM 0 HA PRO A 77 -2.829 -6.290 3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.184 -6.146 3.395 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.813 -6.465 4.801 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.605 -8.437 3.699 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.001 -8.756 4.323 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.139 -8.354 1.452 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.254 -9.537 2.106 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.597 -4.112 2.494 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.525 -2.812 1.838 1.00 0.00 C ATOM 1201 C VAL A 78 -2.382 -1.682 2.852 1.00 0.00 C ATOM 1202 O VAL A 78 -2.825 -1.795 3.997 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.763 -2.541 0.959 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.494 -1.383 0.011 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.160 -3.790 0.186 1.00 0.00 C ATOM 0 H VAL A 78 -3.330 -4.191 3.199 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.640 -2.841 1.202 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.595 -2.269 1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.376 -1.203 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.264 -0.487 0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.648 -1.628 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.035 -3.576 -0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.335 -4.099 -0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.395 -4.592 0.886 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.764 -0.587 2.421 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.566 0.572 3.282 1.00 0.00 C ATOM 1217 C ILE A 79 -1.929 1.850 2.545 1.00 0.00 C ATOM 1218 O ILE A 79 -1.258 2.243 1.590 1.00 0.00 O ATOM 1219 CB ILE A 79 -0.112 0.677 3.780 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.372 -0.668 4.322 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.012 1.753 4.847 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.599 -1.197 3.620 1.00 0.00 C ATOM 0 H ILE A 79 -1.391 -0.479 1.478 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.219 0.441 4.145 1.00 0.00 H new ATOM 0 HB ILE A 79 0.517 0.954 2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.588 -0.565 5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.432 -1.398 4.230 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.046 1.812 5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.289 2.714 4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.633 1.505 5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.884 -2.154 4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.382 -1.333 2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.418 -0.487 3.734 1.00 0.00 H new ATOM 1234 N ILE A 80 -3.002 2.489 2.985 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.466 3.717 2.361 1.00 0.00 C ATOM 1236 C ILE A 80 -2.924 4.945 3.081 1.00 0.00 C ATOM 1237 O ILE A 80 -2.868 4.982 4.310 1.00 0.00 O ATOM 1238 CB ILE A 80 -5.000 3.771 2.324 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.556 2.426 1.851 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.461 4.897 1.413 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -5.185 2.090 0.426 1.00 0.00 C ATOM 0 H ILE A 80 -3.568 2.176 3.774 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.089 3.721 1.338 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.377 3.968 3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.189 1.638 2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.642 2.438 1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.550 4.927 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.079 5.847 1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.085 4.726 0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.612 1.124 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.575 2.858 -0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.100 2.046 0.333 1.00 0.00 H new ATOM 1253 N MET A 81 -2.503 5.944 2.308 1.00 0.00 N ATOM 1254 CA MET A 81 -1.940 7.167 2.883 1.00 0.00 C ATOM 1255 C MET A 81 -2.993 7.999 3.630 1.00 0.00 C ATOM 1256 O MET A 81 -2.673 8.673 4.605 1.00 0.00 O ATOM 1257 CB MET A 81 -1.264 8.011 1.797 1.00 0.00 C ATOM 1258 CG MET A 81 -2.095 8.189 0.539 1.00 0.00 C ATOM 1259 SD MET A 81 -2.493 9.917 0.201 1.00 0.00 S ATOM 1260 CE MET A 81 -0.875 10.565 -0.221 1.00 0.00 C ATOM 0 H MET A 81 -2.540 5.933 1.289 1.00 0.00 H new ATOM 0 HA MET A 81 -1.192 6.861 3.614 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.033 8.994 2.208 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.315 7.546 1.529 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.553 7.773 -0.310 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.020 7.620 0.637 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.989 11.431 -0.873 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.353 10.862 0.689 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.298 9.796 -0.735 1.00 0.00 H new ATOM 1270 N THR A 82 -4.245 7.945 3.177 1.00 0.00 N ATOM 1271 CA THR A 82 -5.327 8.700 3.822 1.00 0.00 C ATOM 1272 C THR A 82 -6.650 7.935 3.731 1.00 0.00 C ATOM 1273 O THR A 82 -6.841 7.120 2.831 1.00 0.00 O ATOM 1274 CB THR A 82 -5.461 10.094 3.190 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.254 10.820 3.325 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.565 10.938 3.794 1.00 0.00 C ATOM 0 H THR A 82 -4.537 7.391 2.372 1.00 0.00 H new ATOM 0 HA THR A 82 -5.078 8.823 4.876 1.00 0.00 H new ATOM 0 HB THR A 82 -5.705 9.906 2.145 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.700 10.685 2.528 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.597 11.907 3.295 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.522 10.432 3.665 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.372 11.083 4.857 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.555 8.188 4.675 1.00 0.00 N ATOM 1285 CA ALA A 83 -8.847 7.504 4.698 1.00 0.00 C ATOM 1286 C ALA A 83 -9.988 8.418 4.258 1.00 0.00 C ATOM 1287 O ALA A 83 -10.953 7.964 3.644 1.00 0.00 O ATOM 1288 CB ALA A 83 -9.118 6.942 6.084 1.00 0.00 C ATOM 0 H ALA A 83 -7.419 8.859 5.431 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.798 6.684 3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.083 6.435 6.089 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.334 6.233 6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.132 7.755 6.810 1.00 0.00 H new ATOM 1294 N HIS A 84 -9.873 9.707 4.569 1.00 0.00 N ATOM 1295 CA HIS A 84 -10.896 10.681 4.198 1.00 0.00 C ATOM 1296 C HIS A 84 -12.303 10.165 4.512 1.00 0.00 C ATOM 1297 O HIS A 84 -12.466 9.186 5.241 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.762 11.023 2.717 1.00 0.00 C ATOM 1299 CG HIS A 84 -9.743 12.086 2.445 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -9.342 13.005 3.394 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -9.034 12.369 1.329 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -8.430 13.804 2.871 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -8.225 13.438 1.620 1.00 0.00 N ATOM 0 H HIS A 84 -9.081 10.101 5.077 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.745 11.584 4.790 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.493 10.122 2.166 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.730 11.351 2.338 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.094 11.850 0.384 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.936 14.618 3.380 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.571 13.879 0.974 1.00 0.00 H new ATOM 1312 N SER A 85 -13.316 10.840 3.971 1.00 0.00 N ATOM 1313 CA SER A 85 -14.705 10.463 4.209 1.00 0.00 C ATOM 1314 C SER A 85 -15.134 9.296 3.322 1.00 0.00 C ATOM 1315 O SER A 85 -15.805 9.489 2.307 1.00 0.00 O ATOM 1316 CB SER A 85 -15.624 11.660 3.972 1.00 0.00 C ATOM 1317 OG SER A 85 -15.959 12.297 5.191 1.00 0.00 O ATOM 0 H SER A 85 -13.199 11.652 3.364 1.00 0.00 H new ATOM 0 HA SER A 85 -14.785 10.142 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.134 12.373 3.309 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.533 11.330 3.469 1.00 0.00 H new ATOM 0 HG SER A 85 -16.546 13.060 5.011 1.00 0.00 H new ATOM 1323 N ASP A 86 -14.753 8.088 3.721 1.00 0.00 N ATOM 1324 CA ASP A 86 -15.109 6.884 2.977 1.00 0.00 C ATOM 1325 C ASP A 86 -14.559 5.635 3.668 1.00 0.00 C ATOM 1326 O ASP A 86 -14.281 4.630 3.018 1.00 0.00 O ATOM 1327 CB ASP A 86 -14.587 6.967 1.542 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.704 7.002 0.519 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.306 8.079 0.331 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -15.977 5.949 -0.095 1.00 0.00 O ATOM 0 H ASP A 86 -14.196 7.915 4.558 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.196 6.812 2.950 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.972 7.860 1.434 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.943 6.110 1.343 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.413 5.710 4.991 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.898 4.596 5.791 1.00 0.00 C ATOM 1337 C LEU A 87 -14.609 3.279 5.469 1.00 0.00 C ATOM 1338 O LEU A 87 -14.088 2.201 5.754 1.00 0.00 O ATOM 1339 CB LEU A 87 -14.032 4.918 7.285 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.711 5.118 8.040 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -11.998 3.791 8.243 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.812 6.098 7.303 1.00 0.00 C ATOM 0 H LEU A 87 -14.647 6.539 5.537 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.846 4.468 5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.631 5.822 7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.585 4.111 7.764 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.943 5.535 9.020 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.064 3.958 8.780 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.634 3.121 8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.783 3.341 7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.881 6.225 7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.593 5.713 6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.317 7.060 7.217 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.803 3.371 4.893 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.586 2.183 4.556 1.00 0.00 C ATOM 1356 C ASP A 88 -15.741 1.135 3.830 1.00 0.00 C ATOM 1357 O ASP A 88 -15.668 -0.015 4.263 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.785 2.572 3.690 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.943 3.101 4.513 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -18.722 4.026 5.321 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -20.071 2.589 4.350 1.00 0.00 O ATOM 0 H ASP A 88 -16.251 4.254 4.649 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.936 1.743 5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.479 3.330 2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.115 1.704 3.119 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.103 1.529 2.732 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.270 0.607 1.972 1.00 0.00 C ATOM 1368 C ALA A 89 -12.993 0.262 2.731 1.00 0.00 C ATOM 1369 O ALA A 89 -12.363 -0.763 2.473 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.936 1.190 0.609 1.00 0.00 C ATOM 0 H ALA A 89 -15.147 2.474 2.352 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.835 -0.314 1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.313 0.487 0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.857 1.372 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.398 2.129 0.737 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.618 1.123 3.671 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.420 0.902 4.472 1.00 0.00 C ATOM 1378 C ALA A 90 -11.619 -0.267 5.423 1.00 0.00 C ATOM 1379 O ALA A 90 -10.726 -1.090 5.607 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.058 2.148 5.266 1.00 0.00 C ATOM 0 H ALA A 90 -13.125 1.979 3.896 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.603 0.672 3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.161 1.956 5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.872 2.975 4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.881 2.407 5.932 1.00 0.00 H new ATOM 1386 N VAL A 91 -12.795 -0.333 6.033 1.00 0.00 N ATOM 1387 CA VAL A 91 -13.089 -1.407 6.967 1.00 0.00 C ATOM 1388 C VAL A 91 -13.042 -2.758 6.272 1.00 0.00 C ATOM 1389 O VAL A 91 -12.431 -3.701 6.775 1.00 0.00 O ATOM 1390 CB VAL A 91 -14.452 -1.236 7.653 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -14.519 -2.123 8.887 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -14.689 0.222 8.021 1.00 0.00 C ATOM 0 H VAL A 91 -13.552 0.337 5.899 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.318 -1.362 7.736 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.238 -1.537 6.960 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -15.487 -1.999 9.372 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -14.390 -3.165 8.594 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.727 -1.841 9.581 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -15.660 0.322 8.506 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.907 0.557 8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.670 0.833 7.118 1.00 0.00 H new ATOM 1402 N SER A 92 -13.671 -2.849 5.105 1.00 0.00 N ATOM 1403 CA SER A 92 -13.668 -4.091 4.351 1.00 0.00 C ATOM 1404 C SER A 92 -12.250 -4.418 3.899 1.00 0.00 C ATOM 1405 O SER A 92 -11.923 -5.571 3.620 1.00 0.00 O ATOM 1406 CB SER A 92 -14.601 -4.007 3.144 1.00 0.00 C ATOM 1407 OG SER A 92 -15.921 -3.676 3.542 1.00 0.00 O ATOM 0 H SER A 92 -14.184 -2.084 4.667 1.00 0.00 H new ATOM 0 HA SER A 92 -14.032 -4.887 5.001 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.230 -3.258 2.445 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.605 -4.961 2.616 1.00 0.00 H new ATOM 0 HG SER A 92 -16.498 -3.627 2.752 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.405 -3.393 3.841 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.025 -3.583 3.445 1.00 0.00 C ATOM 1415 C ALA A 93 -9.305 -4.421 4.486 1.00 0.00 C ATOM 1416 O ALA A 93 -8.501 -5.292 4.160 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.330 -2.247 3.256 1.00 0.00 C ATOM 0 H ALA A 93 -11.656 -2.429 4.063 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.001 -4.108 2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.295 -2.414 2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.842 -1.677 2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.353 -1.689 4.192 1.00 0.00 H new ATOM 1423 N TYR A 94 -9.620 -4.159 5.746 1.00 0.00 N ATOM 1424 CA TYR A 94 -9.026 -4.899 6.850 1.00 0.00 C ATOM 1425 C TYR A 94 -9.557 -6.326 6.854 1.00 0.00 C ATOM 1426 O TYR A 94 -8.928 -7.239 7.387 1.00 0.00 O ATOM 1427 CB TYR A 94 -9.339 -4.231 8.192 1.00 0.00 C ATOM 1428 CG TYR A 94 -9.223 -2.726 8.172 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -8.056 -2.101 7.750 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -10.282 -1.925 8.583 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -7.947 -0.723 7.736 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -10.182 -0.546 8.570 1.00 0.00 C ATOM 1433 CZ TYR A 94 -9.013 0.048 8.146 1.00 0.00 C ATOM 1434 OH TYR A 94 -8.911 1.422 8.134 1.00 0.00 O ATOM 0 H TYR A 94 -10.284 -3.439 6.030 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.945 -4.907 6.714 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -10.350 -4.503 8.494 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.663 -4.627 8.950 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.219 -2.703 7.427 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -11.199 -2.388 8.918 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.032 -0.254 7.406 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -11.015 0.062 8.890 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.583 1.718 7.259 1.00 0.00 H new ATOM 1444 N GLN A 95 -10.723 -6.504 6.240 1.00 0.00 N ATOM 1445 CA GLN A 95 -11.352 -7.812 6.153 1.00 0.00 C ATOM 1446 C GLN A 95 -10.546 -8.716 5.221 1.00 0.00 C ATOM 1447 O GLN A 95 -10.290 -9.876 5.539 1.00 0.00 O ATOM 1448 CB GLN A 95 -12.805 -7.668 5.678 1.00 0.00 C ATOM 1449 CG GLN A 95 -13.363 -8.890 4.965 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.043 -8.890 3.483 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.340 -7.783 2.805 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -12.538 -9.877 2.949 1.00 0.00 N flip ATOM 0 H GLN A 95 -11.251 -5.754 5.795 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.368 -8.274 7.140 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.435 -7.448 6.540 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.871 -6.811 5.008 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.955 -9.792 5.422 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.444 -8.925 5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.326 -10.705 3.505 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.331 -9.867 1.950 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.132 -8.172 4.078 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.342 -8.939 3.129 1.00 0.00 C ATOM 1463 C GLN A 96 -7.902 -9.078 3.615 1.00 0.00 C ATOM 1464 O GLN A 96 -7.176 -9.954 3.163 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.373 -8.308 1.732 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.640 -6.981 1.629 1.00 0.00 C ATOM 1467 CD GLN A 96 -9.537 -5.867 1.134 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -10.747 -5.887 1.353 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -8.950 -4.888 0.454 1.00 0.00 N ATOM 0 H GLN A 96 -10.330 -7.213 3.792 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.787 -9.932 3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.935 -9.008 1.020 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.412 -8.160 1.436 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.238 -6.714 2.606 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.791 -7.089 0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.943 -4.910 0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.507 -4.114 0.091 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.497 -8.225 4.557 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.146 -8.306 5.091 1.00 0.00 C ATOM 1480 C GLY A 97 -5.368 -7.006 4.998 1.00 0.00 C ATOM 1481 O GLY A 97 -4.144 -7.011 5.126 1.00 0.00 O ATOM 0 H GLY A 97 -8.075 -7.486 4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.197 -8.614 6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.601 -9.083 4.556 1.00 0.00 H new ATOM 1485 N ALA A 98 -6.061 -5.892 4.785 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.399 -4.595 4.689 1.00 0.00 C ATOM 1487 C ALA A 98 -4.557 -4.323 5.933 1.00 0.00 C ATOM 1488 O ALA A 98 -4.867 -4.816 7.017 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.424 -3.492 4.496 1.00 0.00 C ATOM 0 H ALA A 98 -7.075 -5.860 4.676 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.736 -4.613 3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.915 -2.531 4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.985 -3.673 3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.109 -3.479 5.344 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.488 -3.545 5.779 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.622 -3.235 6.907 1.00 0.00 C ATOM 1497 C PHE A 99 -3.248 -2.178 7.811 1.00 0.00 C ATOM 1498 O PHE A 99 -3.376 -2.385 9.017 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.244 -2.769 6.433 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.222 -2.741 7.535 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.014 -3.856 8.331 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.525 -1.600 7.779 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.920 -3.833 9.348 1.00 0.00 C ATOM 1504 CE2 PHE A 99 1.460 -1.575 8.794 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.660 -2.691 9.579 1.00 0.00 C ATOM 0 H PHE A 99 -3.205 -3.124 4.894 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.500 -4.153 7.483 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.896 -3.430 5.639 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.332 -1.772 6.002 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.589 -4.753 8.154 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.374 -0.722 7.169 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.071 -4.708 9.962 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.036 -0.679 8.974 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.393 -2.672 10.372 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.638 -1.041 7.228 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.252 0.042 8.001 1.00 0.00 C ATOM 1517 C ASP A 100 -4.384 1.319 7.175 1.00 0.00 C ATOM 1518 O ASP A 100 -4.252 1.299 5.951 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.439 0.328 9.271 1.00 0.00 C ATOM 1520 CG ASP A 100 -4.254 0.142 10.536 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -4.793 -0.966 10.738 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -4.353 1.105 11.325 1.00 0.00 O ATOM 0 H ASP A 100 -3.541 -0.847 6.231 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.253 -0.287 8.281 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.573 -0.333 9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.060 1.349 9.234 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.656 2.428 7.860 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.820 3.720 7.205 1.00 0.00 C ATOM 1529 C TYR A 101 -4.036 4.808 7.933 1.00 0.00 C ATOM 1530 O TYR A 101 -3.790 4.712 9.136 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.300 4.094 7.159 1.00 0.00 C ATOM 1532 CG TYR A 101 -6.957 3.779 5.837 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.379 2.490 5.537 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.157 4.774 4.891 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -7.982 2.205 4.329 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.759 4.496 3.682 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.170 3.213 3.407 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.767 2.938 2.203 1.00 0.00 O ATOM 0 H TYR A 101 -4.768 2.455 8.874 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.432 3.639 6.190 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.826 3.564 7.953 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.404 5.160 7.363 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.233 1.700 6.259 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.836 5.783 5.105 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.305 1.199 4.107 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.907 5.281 2.955 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.264 3.371 1.482 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.647 5.846 7.197 1.00 0.00 N ATOM 1549 CA LEU A 102 -2.893 6.950 7.776 1.00 0.00 C ATOM 1550 C LEU A 102 -3.792 8.170 7.994 1.00 0.00 C ATOM 1551 O LEU A 102 -4.346 8.716 7.040 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.723 7.320 6.862 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.337 7.091 7.462 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.206 5.674 7.982 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.738 7.372 6.432 1.00 0.00 C ATOM 0 H LEU A 102 -3.842 5.944 6.201 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.507 6.631 8.744 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.804 6.742 5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.814 8.371 6.587 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.209 7.779 8.298 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.788 5.532 8.405 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.957 5.498 8.753 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.356 4.971 7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.719 7.204 6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.607 6.707 5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.662 8.407 6.100 1.00 0.00 H new ATOM 1567 N PRO A 103 -3.949 8.615 9.255 1.00 0.00 N ATOM 1568 CA PRO A 103 -4.785 9.772 9.572 1.00 0.00 C ATOM 1569 C PRO A 103 -4.136 11.090 9.160 1.00 0.00 C ATOM 1570 O PRO A 103 -4.556 11.720 8.190 1.00 0.00 O ATOM 1571 CB PRO A 103 -4.954 9.697 11.091 1.00 0.00 C ATOM 1572 CG PRO A 103 -3.793 8.901 11.591 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.328 8.025 10.456 1.00 0.00 C ATOM 0 HA PRO A 103 -5.732 9.747 9.032 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.964 10.693 11.533 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.898 9.221 11.356 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -2.990 9.559 11.922 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.083 8.296 12.450 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.241 8.020 10.379 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.643 6.991 10.598 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.113 11.506 9.900 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.414 12.750 9.602 1.00 0.00 C ATOM 1583 C LYS A 104 -0.993 12.493 9.104 1.00 0.00 C ATOM 1584 O LYS A 104 -0.633 12.915 8.005 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.382 13.652 10.838 1.00 0.00 C ATOM 1586 CG LYS A 104 -3.019 15.011 10.611 1.00 0.00 C ATOM 1587 CD LYS A 104 -3.499 15.624 11.915 1.00 0.00 C ATOM 1588 CE LYS A 104 -3.448 17.141 11.867 1.00 0.00 C ATOM 1589 NZ LYS A 104 -3.959 17.754 13.124 1.00 0.00 N ATOM 0 H LYS A 104 -2.751 11.001 10.709 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.962 13.252 8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.897 13.151 11.658 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.347 13.792 11.149 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.298 15.678 10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.859 14.910 9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.520 15.299 12.117 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.881 15.264 12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.421 17.464 11.697 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.039 17.498 11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -3.907 18.790 13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.947 17.466 13.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.380 17.434 13.927 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.155 11.801 9.904 1.00 0.00 N ATOM 1604 CA PRO A 105 1.228 11.510 9.519 1.00 0.00 C ATOM 1605 C PRO A 105 1.323 10.810 8.170 1.00 0.00 C ATOM 1606 O PRO A 105 0.395 10.118 7.749 1.00 0.00 O ATOM 1607 CB PRO A 105 1.731 10.592 10.637 1.00 0.00 C ATOM 1608 CG PRO A 105 0.865 10.907 11.804 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.481 11.257 11.237 1.00 0.00 C ATOM 0 HA PRO A 105 1.814 12.422 9.406 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.648 9.542 10.355 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.781 10.780 10.861 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.794 10.054 12.479 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.274 11.737 12.381 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.128 10.383 11.168 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.000 11.990 11.855 1.00 0.00 H new ATOM 1617 N PHE A 106 2.456 10.994 7.501 1.00 0.00 N ATOM 1618 CA PHE A 106 2.688 10.382 6.195 1.00 0.00 C ATOM 1619 C PHE A 106 4.183 10.414 5.846 1.00 0.00 C ATOM 1620 O PHE A 106 4.975 9.748 6.504 1.00 0.00 O ATOM 1621 CB PHE A 106 1.836 11.079 5.121 1.00 0.00 C ATOM 1622 CG PHE A 106 1.934 10.447 3.756 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.596 9.116 3.566 1.00 0.00 C ATOM 1624 CD2 PHE A 106 2.367 11.185 2.665 1.00 0.00 C ATOM 1625 CE1 PHE A 106 1.691 8.536 2.317 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.461 10.608 1.412 1.00 0.00 C ATOM 1627 CZ PHE A 106 2.123 9.281 1.238 1.00 0.00 C ATOM 0 H PHE A 106 3.231 11.563 7.842 1.00 0.00 H new ATOM 0 HA PHE A 106 2.383 9.336 6.232 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.793 11.073 5.439 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.142 12.123 5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.255 8.527 4.404 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.634 12.223 2.795 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.427 7.497 2.184 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.798 11.195 0.570 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.196 8.827 0.261 1.00 0.00 H new ATOM 1637 N ASP A 107 4.576 11.183 4.822 1.00 0.00 N ATOM 1638 CA ASP A 107 5.982 11.274 4.415 1.00 0.00 C ATOM 1639 C ASP A 107 6.660 9.899 4.417 1.00 0.00 C ATOM 1640 O ASP A 107 6.044 8.891 4.755 1.00 0.00 O ATOM 1641 CB ASP A 107 6.739 12.239 5.331 1.00 0.00 C ATOM 1642 CG ASP A 107 6.751 11.782 6.776 1.00 0.00 C ATOM 1643 OD1 ASP A 107 7.231 10.660 7.040 1.00 0.00 O ATOM 1644 OD2 ASP A 107 6.278 12.546 7.644 1.00 0.00 O ATOM 0 H ASP A 107 3.940 11.750 4.262 1.00 0.00 H new ATOM 0 HA ASP A 107 6.008 11.656 3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.765 12.340 4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.282 13.227 5.270 1.00 0.00 H new ATOM 1649 N ILE A 108 7.931 9.860 4.029 1.00 0.00 N ATOM 1650 CA ILE A 108 8.675 8.604 3.992 1.00 0.00 C ATOM 1651 C ILE A 108 8.907 8.058 5.394 1.00 0.00 C ATOM 1652 O ILE A 108 8.772 6.861 5.640 1.00 0.00 O ATOM 1653 CB ILE A 108 10.018 8.770 3.233 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.952 8.071 1.877 1.00 0.00 C ATOM 1655 CG2 ILE A 108 11.198 8.235 4.031 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.707 8.398 1.081 1.00 0.00 C ATOM 0 H ILE A 108 8.465 10.678 3.737 1.00 0.00 H new ATOM 0 HA ILE A 108 8.069 7.879 3.448 1.00 0.00 H new ATOM 0 HB ILE A 108 10.174 9.839 3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.829 8.349 1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.000 6.993 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.116 8.373 3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.274 8.775 4.975 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.051 7.174 4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.732 7.865 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.825 8.094 1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.666 9.471 0.894 1.00 0.00 H new ATOM 1668 N ASP A 109 9.269 8.945 6.299 1.00 0.00 N ATOM 1669 CA ASP A 109 9.536 8.567 7.684 1.00 0.00 C ATOM 1670 C ASP A 109 8.411 7.703 8.259 1.00 0.00 C ATOM 1671 O ASP A 109 8.651 6.583 8.706 1.00 0.00 O ATOM 1672 CB ASP A 109 9.724 9.814 8.549 1.00 0.00 C ATOM 1673 CG ASP A 109 11.180 10.214 8.683 1.00 0.00 C ATOM 1674 OD1 ASP A 109 11.832 10.441 7.643 1.00 0.00 O ATOM 1675 OD2 ASP A 109 11.669 10.300 9.831 1.00 0.00 O ATOM 0 H ASP A 109 9.387 9.939 6.105 1.00 0.00 H new ATOM 0 HA ASP A 109 10.453 7.979 7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 109 9.162 10.641 8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 109 9.308 9.631 9.540 1.00 0.00 H new ATOM 1680 N GLU A 110 7.189 8.229 8.256 1.00 0.00 N ATOM 1681 CA GLU A 110 6.049 7.496 8.788 1.00 0.00 C ATOM 1682 C GLU A 110 5.574 6.425 7.814 1.00 0.00 C ATOM 1683 O GLU A 110 5.111 5.361 8.225 1.00 0.00 O ATOM 1684 CB GLU A 110 4.899 8.447 9.126 1.00 0.00 C ATOM 1685 CG GLU A 110 5.110 9.236 10.405 1.00 0.00 C ATOM 1686 CD GLU A 110 4.757 8.439 11.647 1.00 0.00 C ATOM 1687 OE1 GLU A 110 3.826 7.610 11.576 1.00 0.00 O ATOM 1688 OE2 GLU A 110 5.414 8.644 12.690 1.00 0.00 O ATOM 0 H GLU A 110 6.966 9.156 7.893 1.00 0.00 H new ATOM 0 HA GLU A 110 6.376 7.003 9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.762 9.144 8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.978 7.871 9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.151 9.553 10.465 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.503 10.141 10.374 1.00 0.00 H new ATOM 1695 N ALA A 111 5.700 6.707 6.525 1.00 0.00 N ATOM 1696 CA ALA A 111 5.292 5.758 5.500 1.00 0.00 C ATOM 1697 C ALA A 111 6.154 4.506 5.573 1.00 0.00 C ATOM 1698 O ALA A 111 5.650 3.402 5.781 1.00 0.00 O ATOM 1699 CB ALA A 111 5.383 6.391 4.121 1.00 0.00 C ATOM 0 H ALA A 111 6.080 7.582 6.165 1.00 0.00 H new ATOM 0 HA ALA A 111 4.254 5.477 5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 111 5.074 5.667 3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.729 7.262 4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.411 6.699 3.929 1.00 0.00 H new ATOM 1705 N VAL A 112 7.460 4.692 5.416 1.00 0.00 N ATOM 1706 CA VAL A 112 8.401 3.584 5.482 1.00 0.00 C ATOM 1707 C VAL A 112 8.341 2.914 6.847 1.00 0.00 C ATOM 1708 O VAL A 112 8.540 1.709 6.976 1.00 0.00 O ATOM 1709 CB VAL A 112 9.841 4.048 5.211 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.794 2.864 5.218 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.917 4.803 3.893 1.00 0.00 C ATOM 0 H VAL A 112 7.890 5.601 5.242 1.00 0.00 H new ATOM 0 HA VAL A 112 8.114 2.871 4.709 1.00 0.00 H new ATOM 0 HB VAL A 112 10.143 4.727 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.809 3.212 5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.758 2.374 6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.500 2.155 4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.943 5.124 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.596 4.150 3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.266 5.676 3.936 1.00 0.00 H new ATOM 1721 N ALA A 113 8.053 3.711 7.859 1.00 0.00 N ATOM 1722 CA ALA A 113 7.946 3.211 9.219 1.00 0.00 C ATOM 1723 C ALA A 113 6.814 2.205 9.317 1.00 0.00 C ATOM 1724 O ALA A 113 6.957 1.132 9.907 1.00 0.00 O ATOM 1725 CB ALA A 113 7.695 4.365 10.168 1.00 0.00 C ATOM 0 H ALA A 113 7.888 4.713 7.765 1.00 0.00 H new ATOM 0 HA ALA A 113 8.879 2.718 9.492 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.615 3.987 11.187 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.522 5.073 10.107 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.767 4.867 9.893 1.00 0.00 H new ATOM 1731 N LEU A 114 5.685 2.579 8.733 1.00 0.00 N ATOM 1732 CA LEU A 114 4.498 1.744 8.735 1.00 0.00 C ATOM 1733 C LEU A 114 4.611 0.592 7.742 1.00 0.00 C ATOM 1734 O LEU A 114 3.905 -0.408 7.861 1.00 0.00 O ATOM 1735 CB LEU A 114 3.271 2.599 8.412 1.00 0.00 C ATOM 1736 CG LEU A 114 1.938 1.852 8.397 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.467 1.568 9.813 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.895 2.659 7.649 1.00 0.00 C ATOM 0 H LEU A 114 5.568 3.468 8.246 1.00 0.00 H new ATOM 0 HA LEU A 114 4.394 1.308 9.729 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.208 3.405 9.143 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.419 3.063 7.437 1.00 0.00 H new ATOM 0 HG LEU A 114 2.081 0.900 7.885 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.516 1.036 9.780 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.208 0.956 10.327 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.338 2.508 10.349 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.051 2.117 7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.759 3.622 8.141 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.226 2.819 6.623 1.00 0.00 H new ATOM 1750 N VAL A 115 5.491 0.732 6.754 1.00 0.00 N ATOM 1751 CA VAL A 115 5.659 -0.318 5.755 1.00 0.00 C ATOM 1752 C VAL A 115 6.513 -1.463 6.287 1.00 0.00 C ATOM 1753 O VAL A 115 6.245 -2.629 6.009 1.00 0.00 O ATOM 1754 CB VAL A 115 6.252 0.211 4.422 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.760 0.410 4.501 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.903 -0.736 3.284 1.00 0.00 C ATOM 0 H VAL A 115 6.089 1.548 6.625 1.00 0.00 H new ATOM 0 HA VAL A 115 4.657 -0.693 5.543 1.00 0.00 H new ATOM 0 HB VAL A 115 5.808 1.188 4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 115 8.129 0.781 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.991 1.132 5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 115 8.241 -0.541 4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.323 -0.356 2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.316 -1.723 3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.819 -0.808 3.190 1.00 0.00 H new ATOM 1766 N GLU A 116 7.537 -1.124 7.063 1.00 0.00 N ATOM 1767 CA GLU A 116 8.421 -2.126 7.639 1.00 0.00 C ATOM 1768 C GLU A 116 7.690 -2.949 8.691 1.00 0.00 C ATOM 1769 O GLU A 116 7.884 -4.161 8.795 1.00 0.00 O ATOM 1770 CB GLU A 116 9.650 -1.455 8.250 1.00 0.00 C ATOM 1771 CG GLU A 116 10.535 -0.775 7.218 1.00 0.00 C ATOM 1772 CD GLU A 116 11.535 0.176 7.843 1.00 0.00 C ATOM 1773 OE1 GLU A 116 11.104 1.131 8.523 1.00 0.00 O ATOM 1774 OE2 GLU A 116 12.752 -0.033 7.650 1.00 0.00 O ATOM 0 H GLU A 116 7.774 -0.162 7.307 1.00 0.00 H new ATOM 0 HA GLU A 116 8.745 -2.798 6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.326 -0.717 8.984 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.235 -2.202 8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 116 11.069 -1.534 6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.910 -0.227 6.513 1.00 0.00 H new ATOM 1781 N ARG A 117 6.846 -2.281 9.468 1.00 0.00 N ATOM 1782 CA ARG A 117 6.081 -2.945 10.514 1.00 0.00 C ATOM 1783 C ARG A 117 5.121 -3.971 9.924 1.00 0.00 C ATOM 1784 O ARG A 117 4.768 -4.953 10.575 1.00 0.00 O ATOM 1785 CB ARG A 117 5.311 -1.912 11.339 1.00 0.00 C ATOM 1786 CG ARG A 117 6.201 -1.070 12.237 1.00 0.00 C ATOM 1787 CD ARG A 117 6.449 -1.750 13.575 1.00 0.00 C ATOM 1788 NE ARG A 117 5.738 -1.086 14.667 1.00 0.00 N ATOM 1789 CZ ARG A 117 5.236 -1.720 15.726 1.00 0.00 C ATOM 1790 NH1 ARG A 117 5.378 -3.033 15.856 1.00 0.00 N ATOM 1791 NH2 ARG A 117 4.595 -1.036 16.664 1.00 0.00 N ATOM 0 H ARG A 117 6.674 -1.278 9.393 1.00 0.00 H new ATOM 0 HA ARG A 117 6.779 -3.471 11.165 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.763 -1.255 10.664 1.00 0.00 H new ATOM 0 HB3 ARG A 117 4.572 -2.427 11.953 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.153 -0.888 11.739 1.00 0.00 H new ATOM 0 HG3 ARG A 117 5.736 -0.098 12.403 1.00 0.00 H new ATOM 0 HD2 ARG A 117 6.132 -2.791 13.517 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.518 -1.753 13.787 1.00 0.00 H new ATOM 0 HE ARG A 117 5.619 -0.074 14.615 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.875 -3.565 15.142 1.00 0.00 H new ATOM 0 HH12 ARG A 117 4.990 -3.510 16.670 1.00 0.00 H new ATOM 0 HH21 ARG A 117 4.487 -0.026 16.574 1.00 0.00 H new ATOM 0 HH22 ARG A 117 4.210 -1.520 17.475 1.00 0.00 H new ATOM 1805 N ALA A 118 4.701 -3.736 8.687 1.00 0.00 N ATOM 1806 CA ALA A 118 3.782 -4.638 8.008 1.00 0.00 C ATOM 1807 C ALA A 118 4.459 -5.960 7.675 1.00 0.00 C ATOM 1808 O ALA A 118 3.887 -7.031 7.886 1.00 0.00 O ATOM 1809 CB ALA A 118 3.236 -3.989 6.747 1.00 0.00 C ATOM 0 H ALA A 118 4.983 -2.927 8.134 1.00 0.00 H new ATOM 0 HA ALA A 118 2.951 -4.844 8.683 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.551 -4.677 6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.705 -3.074 7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.060 -3.750 6.075 1.00 0.00 H new ATOM 1815 N ILE A 119 5.681 -5.883 7.161 1.00 0.00 N ATOM 1816 CA ILE A 119 6.434 -7.077 6.808 1.00 0.00 C ATOM 1817 C ILE A 119 6.709 -7.923 8.041 1.00 0.00 C ATOM 1818 O ILE A 119 6.779 -9.150 7.969 1.00 0.00 O ATOM 1819 CB ILE A 119 7.768 -6.709 6.134 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.521 -5.763 4.963 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.496 -7.960 5.667 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.595 -4.716 4.812 1.00 0.00 C ATOM 0 H ILE A 119 6.170 -5.006 6.980 1.00 0.00 H new ATOM 0 HA ILE A 119 5.829 -7.651 6.106 1.00 0.00 H new ATOM 0 HB ILE A 119 8.399 -6.203 6.865 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.456 -6.343 4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.558 -5.270 5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.436 -7.678 5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.699 -8.604 6.523 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.875 -8.496 4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.361 -4.075 3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.645 -4.113 5.718 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.556 -5.202 4.646 1.00 0.00 H new ATOM 1834 N SER A 120 6.861 -7.249 9.169 1.00 0.00 N ATOM 1835 CA SER A 120 7.125 -7.915 10.434 1.00 0.00 C ATOM 1836 C SER A 120 5.860 -8.578 10.974 1.00 0.00 C ATOM 1837 O SER A 120 5.873 -9.752 11.344 1.00 0.00 O ATOM 1838 CB SER A 120 7.673 -6.911 11.450 1.00 0.00 C ATOM 1839 OG SER A 120 8.216 -7.571 12.581 1.00 0.00 O ATOM 0 H SER A 120 6.805 -6.233 9.234 1.00 0.00 H new ATOM 0 HA SER A 120 7.870 -8.692 10.265 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.441 -6.297 10.980 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.876 -6.238 11.766 1.00 0.00 H new ATOM 0 HG SER A 120 8.561 -6.906 13.213 1.00 0.00 H new ATOM 1845 N HIS A 121 4.768 -7.820 11.011 1.00 0.00 N ATOM 1846 CA HIS A 121 3.492 -8.336 11.503 1.00 0.00 C ATOM 1847 C HIS A 121 2.970 -9.454 10.609 1.00 0.00 C ATOM 1848 O HIS A 121 2.253 -10.346 11.065 1.00 0.00 O ATOM 1849 CB HIS A 121 2.457 -7.214 11.582 1.00 0.00 C ATOM 1850 CG HIS A 121 2.483 -6.466 12.877 1.00 0.00 C ATOM 1851 ND1 HIS A 121 3.284 -5.364 13.093 1.00 0.00 N ATOM 1852 CD2 HIS A 121 1.800 -6.664 14.030 1.00 0.00 C ATOM 1853 CE1 HIS A 121 3.093 -4.917 14.320 1.00 0.00 C ATOM 1854 NE2 HIS A 121 2.197 -5.688 14.910 1.00 0.00 N ATOM 0 H HIS A 121 4.740 -6.847 10.707 1.00 0.00 H new ATOM 0 HA HIS A 121 3.660 -8.741 12.501 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.629 -6.514 10.764 1.00 0.00 H new ATOM 0 HB3 HIS A 121 1.463 -7.637 11.436 1.00 0.00 H new ATOM 0 HD1 HIS A 121 3.924 -4.958 12.411 1.00 0.00 H new ATOM 0 HD2 HIS A 121 1.078 -7.444 14.221 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.586 -4.066 14.766 1.00 0.00 H new ATOM 1863 N TYR A 122 3.328 -9.395 9.335 1.00 0.00 N ATOM 1864 CA TYR A 122 2.892 -10.397 8.370 1.00 0.00 C ATOM 1865 C TYR A 122 3.521 -11.755 8.666 1.00 0.00 C ATOM 1866 O TYR A 122 2.817 -12.748 8.853 1.00 0.00 O ATOM 1867 CB TYR A 122 3.245 -9.953 6.947 1.00 0.00 C ATOM 1868 CG TYR A 122 2.331 -10.527 5.886 1.00 0.00 C ATOM 1869 CD1 TYR A 122 0.955 -10.573 6.073 1.00 0.00 C ATOM 1870 CD2 TYR A 122 2.849 -11.021 4.694 1.00 0.00 C ATOM 1871 CE1 TYR A 122 0.121 -11.094 5.104 1.00 0.00 C ATOM 1872 CE2 TYR A 122 2.020 -11.544 3.720 1.00 0.00 C ATOM 1873 CZ TYR A 122 0.657 -11.579 3.929 1.00 0.00 C ATOM 1874 OH TYR A 122 -0.172 -12.100 2.962 1.00 0.00 O ATOM 0 H TYR A 122 3.920 -8.663 8.943 1.00 0.00 H new ATOM 0 HA TYR A 122 1.810 -10.497 8.454 1.00 0.00 H new ATOM 0 HB2 TYR A 122 3.208 -8.865 6.896 1.00 0.00 H new ATOM 0 HB3 TYR A 122 4.271 -10.248 6.728 1.00 0.00 H new ATOM 0 HD1 TYR A 122 0.531 -10.195 6.991 1.00 0.00 H new ATOM 0 HD2 TYR A 122 3.916 -10.996 4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -0.947 -11.122 5.265 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.437 -11.924 2.799 1.00 0.00 H new ATOM 0 HH TYR A 122 -0.977 -11.546 2.888 1.00 0.00 H new ATOM 1884 N GLN A 123 4.851 -11.796 8.697 1.00 0.00 N ATOM 1885 CA GLN A 123 5.567 -13.035 8.962 1.00 0.00 C ATOM 1886 C GLN A 123 5.562 -13.373 10.448 1.00 0.00 C ATOM 1887 O GLN A 123 5.136 -12.568 11.279 1.00 0.00 O ATOM 1888 CB GLN A 123 7.006 -12.939 8.451 1.00 0.00 C ATOM 1889 CG GLN A 123 7.268 -13.793 7.222 1.00 0.00 C ATOM 1890 CD GLN A 123 6.827 -13.117 5.938 1.00 0.00 C ATOM 1891 OE1 GLN A 123 7.645 -12.825 5.066 1.00 0.00 O ATOM 1892 NE2 GLN A 123 5.529 -12.868 5.813 1.00 0.00 N ATOM 0 H GLN A 123 5.451 -10.986 8.542 1.00 0.00 H new ATOM 0 HA GLN A 123 5.052 -13.836 8.431 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.232 -11.899 8.216 1.00 0.00 H new ATOM 0 HB3 GLN A 123 7.687 -13.241 9.246 1.00 0.00 H new ATOM 0 HG2 GLN A 123 8.332 -14.020 7.162 1.00 0.00 H new ATOM 0 HG3 GLN A 123 6.745 -14.744 7.326 1.00 0.00 H new ATOM 0 HE21 GLN A 123 4.886 -13.127 6.561 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.175 -12.418 4.969 1.00 0.00 H new ATOM 1901 N GLU A 124 6.039 -14.569 10.774 1.00 0.00 N ATOM 1902 CA GLU A 124 6.092 -15.019 12.159 1.00 0.00 C ATOM 1903 C GLU A 124 4.687 -15.123 12.746 1.00 0.00 C ATOM 1904 O GLU A 124 4.505 -15.070 13.962 1.00 0.00 O ATOM 1905 CB GLU A 124 6.947 -14.062 12.996 1.00 0.00 C ATOM 1906 CG GLU A 124 8.087 -14.748 13.732 1.00 0.00 C ATOM 1907 CD GLU A 124 9.238 -13.806 14.036 1.00 0.00 C ATOM 1908 OE1 GLU A 124 9.923 -13.377 13.082 1.00 0.00 O ATOM 1909 OE2 GLU A 124 9.459 -13.503 15.226 1.00 0.00 O ATOM 0 H GLU A 124 6.395 -15.244 10.097 1.00 0.00 H new ATOM 0 HA GLU A 124 6.548 -16.009 12.181 1.00 0.00 H new ATOM 0 HB2 GLU A 124 7.358 -13.291 12.344 1.00 0.00 H new ATOM 0 HB3 GLU A 124 6.308 -13.558 13.722 1.00 0.00 H new ATOM 0 HG2 GLU A 124 7.711 -15.169 14.665 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.453 -15.581 13.131 1.00 0.00 H new TER 1916 GLU A 124