USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 MET CE :methyl 163:sc= -0.0145 (180deg=-0.209) USER MOD Set 1.2: A 67 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.00847) USER MOD Set 2.1: A 35 ASN : amide:sc= -6.3 K(o=-6.4,f=-7.3!) USER MOD Set 2.2: A 57 MET CE :methyl 155:sc= -0.116 (180deg=-1.24) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.372 (180deg=-1.12) USER MOD Single : A 1 MET N :NH3+ -132:sc= -0.0197 (180deg=-0.359) USER MOD Single : A 2 GLN : amide:sc= -0.0466 X(o=-0.047,f=-0.28) USER MOD Single : A 13 SER OG : rot 180:sc= 0.584! USER MOD Single : A 14 SER OG : rot 180:sc= -0.0731 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -86:sc= -3.27 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -15:sc= -2.34 USER MOD Single : A 37 ASN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.7!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0.324 K(o=0.32,f=-0.5) USER MOD Single : A 73 HIS : no HD1:sc= -20! C(o=-20!,f=-23!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 161:sc= -6.55! (180deg=-7.26!) USER MOD Single : A 82 THR OG1 : rot 95:sc= 0.104 USER MOD Single : A 84 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-7.2!) USER MOD Single : A 85 SER OG : rot 120:sc= -0.176 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -1.23! X(o=-1.2!,f=-0.74) USER MOD Single : A 96 GLN : amide:sc= -5.38! C(o=-5.4!,f=-7.2!) USER MOD Single : A 101 TYR OH : rot -150:sc= -3.44! USER MOD Single : A 104 LYS NZ :NH3+ -106:sc= 1.24 (180deg=-0.662) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.0712 K(o=-0.071,f=-0.75) USER MOD Single : A 122 TYR OH : rot 30:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.0126 K(o=-0.013,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.216 -18.321 -6.657 1.00 0.00 N ATOM 2 CA MET A 1 9.166 -17.269 -6.200 1.00 0.00 C ATOM 3 C MET A 1 8.456 -15.936 -5.980 1.00 0.00 C ATOM 4 O MET A 1 7.382 -15.696 -6.531 1.00 0.00 O ATOM 5 CB MET A 1 10.267 -17.103 -7.250 1.00 0.00 C ATOM 6 CG MET A 1 11.106 -18.353 -7.461 1.00 0.00 C ATOM 7 SD MET A 1 12.356 -18.141 -8.743 1.00 0.00 S ATOM 8 CE MET A 1 13.065 -16.565 -8.270 1.00 0.00 C ATOM 0 H1 MET A 1 8.356 -19.184 -6.093 1.00 0.00 H new ATOM 0 H2 MET A 1 7.240 -17.983 -6.537 1.00 0.00 H new ATOM 0 H3 MET A 1 8.388 -18.532 -7.661 1.00 0.00 H new ATOM 0 HA MET A 1 9.597 -17.578 -5.248 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.812 -16.818 -8.198 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.921 -16.284 -6.951 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.594 -18.621 -6.524 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.453 -19.183 -7.729 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.036 -16.445 -8.749 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.402 -15.759 -8.585 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.188 -16.532 -7.187 1.00 0.00 H new ATOM 20 N GLN A 2 9.069 -15.073 -5.178 1.00 0.00 N ATOM 21 CA GLN A 2 8.499 -13.763 -4.891 1.00 0.00 C ATOM 22 C GLN A 2 9.290 -12.671 -5.599 1.00 0.00 C ATOM 23 O GLN A 2 8.720 -11.720 -6.131 1.00 0.00 O ATOM 24 CB GLN A 2 8.479 -13.505 -3.383 1.00 0.00 C ATOM 25 CG GLN A 2 7.167 -13.890 -2.719 1.00 0.00 C ATOM 26 CD GLN A 2 7.368 -14.666 -1.431 1.00 0.00 C ATOM 27 OE1 GLN A 2 8.157 -15.609 -1.378 1.00 0.00 O ATOM 28 NE2 GLN A 2 6.653 -14.270 -0.385 1.00 0.00 N ATOM 0 H GLN A 2 9.959 -15.257 -4.716 1.00 0.00 H new ATOM 0 HA GLN A 2 7.474 -13.748 -5.261 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.291 -14.063 -2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.673 -12.448 -3.201 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.592 -12.988 -2.509 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.576 -14.490 -3.411 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.011 -13.483 -0.475 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.746 -14.753 0.509 1.00 0.00 H new ATOM 37 N ARG A 3 10.605 -12.828 -5.596 1.00 0.00 N ATOM 38 CA ARG A 3 11.521 -11.877 -6.235 1.00 0.00 C ATOM 39 C ARG A 3 11.526 -10.510 -5.541 1.00 0.00 C ATOM 40 O ARG A 3 12.514 -9.779 -5.612 1.00 0.00 O ATOM 41 CB ARG A 3 11.198 -11.745 -7.738 1.00 0.00 C ATOM 42 CG ARG A 3 10.342 -10.542 -8.113 1.00 0.00 C ATOM 43 CD ARG A 3 10.301 -10.336 -9.619 1.00 0.00 C ATOM 44 NE ARG A 3 9.342 -11.228 -10.269 1.00 0.00 N ATOM 45 CZ ARG A 3 8.978 -11.120 -11.544 1.00 0.00 C ATOM 46 NH1 ARG A 3 9.486 -10.160 -12.306 1.00 0.00 N ATOM 47 NH2 ARG A 3 8.104 -11.973 -12.060 1.00 0.00 N ATOM 0 H ARG A 3 11.074 -13.617 -5.152 1.00 0.00 H new ATOM 0 HA ARG A 3 12.530 -12.277 -6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 3 12.135 -11.691 -8.292 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.687 -12.651 -8.065 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.329 -10.683 -7.736 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.739 -9.648 -7.633 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.038 -9.301 -9.836 1.00 0.00 H new ATOM 0 HD3 ARG A 3 11.294 -10.506 -10.035 1.00 0.00 H new ATOM 0 HE ARG A 3 8.928 -11.976 -9.713 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.159 -9.501 -11.915 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.204 -10.081 -13.283 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.710 -12.713 -11.479 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.826 -11.889 -13.038 1.00 0.00 H new ATOM 61 N GLY A 4 10.430 -10.168 -4.874 1.00 0.00 N ATOM 62 CA GLY A 4 10.346 -8.893 -4.185 1.00 0.00 C ATOM 63 C GLY A 4 9.536 -7.876 -4.959 1.00 0.00 C ATOM 64 O GLY A 4 10.067 -7.181 -5.825 1.00 0.00 O ATOM 0 H GLY A 4 9.597 -10.751 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.896 -9.042 -3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.351 -8.505 -4.020 1.00 0.00 H new ATOM 68 N ILE A 5 8.243 -7.794 -4.661 1.00 0.00 N ATOM 69 CA ILE A 5 7.365 -6.860 -5.351 1.00 0.00 C ATOM 70 C ILE A 5 6.660 -5.926 -4.373 1.00 0.00 C ATOM 71 O ILE A 5 5.808 -6.349 -3.594 1.00 0.00 O ATOM 72 CB ILE A 5 6.296 -7.605 -6.178 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.909 -8.804 -6.914 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.634 -6.656 -7.167 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.222 -8.496 -7.596 1.00 0.00 C ATOM 0 H ILE A 5 7.783 -8.361 -3.949 1.00 0.00 H new ATOM 0 HA ILE A 5 7.998 -6.273 -6.016 1.00 0.00 H new ATOM 0 HB ILE A 5 5.537 -7.980 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.062 -9.616 -6.203 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.199 -9.163 -7.659 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.883 -7.196 -7.743 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.157 -5.839 -6.625 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.387 -6.252 -7.843 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.592 -9.392 -8.094 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.073 -7.707 -8.333 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.949 -8.167 -6.854 1.00 0.00 H new ATOM 87 N VAL A 6 7.014 -4.648 -4.437 1.00 0.00 N ATOM 88 CA VAL A 6 6.413 -3.636 -3.578 1.00 0.00 C ATOM 89 C VAL A 6 5.638 -2.626 -4.428 1.00 0.00 C ATOM 90 O VAL A 6 6.208 -1.984 -5.303 1.00 0.00 O ATOM 91 CB VAL A 6 7.491 -2.890 -2.760 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.595 -2.400 -3.680 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.868 -1.746 -1.974 1.00 0.00 C ATOM 0 H VAL A 6 7.719 -4.287 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 6 5.736 -4.139 -2.888 1.00 0.00 H new ATOM 0 HB VAL A 6 7.933 -3.579 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.350 -1.875 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.053 -3.251 -4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.175 -1.721 -4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.642 -1.232 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.399 -1.044 -2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.116 -2.141 -1.291 1.00 0.00 H new ATOM 103 N TRP A 7 4.339 -2.489 -4.179 1.00 0.00 N ATOM 104 CA TRP A 7 3.522 -1.550 -4.948 1.00 0.00 C ATOM 105 C TRP A 7 3.036 -0.397 -4.072 1.00 0.00 C ATOM 106 O TRP A 7 2.740 -0.584 -2.892 1.00 0.00 O ATOM 107 CB TRP A 7 2.344 -2.280 -5.600 1.00 0.00 C ATOM 108 CG TRP A 7 2.730 -3.004 -6.858 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.992 -3.142 -7.367 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.858 -3.689 -7.766 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.956 -3.857 -8.537 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.658 -4.208 -8.803 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.478 -3.912 -7.807 1.00 0.00 C ATOM 114 CZ2 TRP A 7 2.125 -4.934 -9.865 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.050 -4.635 -8.861 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.773 -5.138 -9.877 1.00 0.00 C ATOM 0 H TRP A 7 3.833 -3.008 -3.461 1.00 0.00 H new ATOM 0 HA TRP A 7 4.142 -1.124 -5.737 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.927 -2.994 -4.889 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.558 -1.560 -5.828 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.888 -2.745 -6.913 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.764 -4.090 -9.115 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.164 -3.526 -7.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.756 -5.322 -10.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.114 -4.815 -8.902 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.330 -5.699 -10.687 1.00 0.00 H new ATOM 127 N VAL A 8 2.988 0.802 -4.653 1.00 0.00 N ATOM 128 CA VAL A 8 2.573 1.998 -3.915 1.00 0.00 C ATOM 129 C VAL A 8 1.550 2.827 -4.686 1.00 0.00 C ATOM 130 O VAL A 8 1.621 2.944 -5.905 1.00 0.00 O ATOM 131 CB VAL A 8 3.778 2.917 -3.608 1.00 0.00 C ATOM 132 CG1 VAL A 8 3.603 3.623 -2.271 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.084 2.141 -3.642 1.00 0.00 C ATOM 0 H VAL A 8 3.230 0.972 -5.629 1.00 0.00 H new ATOM 0 HA VAL A 8 2.126 1.631 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 8 3.819 3.677 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.465 4.262 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.699 4.231 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.519 2.882 -1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.913 2.814 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.055 1.346 -2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.223 1.705 -4.631 1.00 0.00 H new ATOM 143 N VAL A 9 0.619 3.429 -3.962 1.00 0.00 N ATOM 144 CA VAL A 9 -0.391 4.281 -4.577 1.00 0.00 C ATOM 145 C VAL A 9 -0.503 5.599 -3.817 1.00 0.00 C ATOM 146 O VAL A 9 -0.768 5.612 -2.615 1.00 0.00 O ATOM 147 CB VAL A 9 -1.779 3.606 -4.652 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.424 3.904 -5.999 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.670 2.106 -4.416 1.00 0.00 C ATOM 0 H VAL A 9 0.541 3.344 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.064 4.466 -5.600 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.411 4.014 -3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.402 3.426 -6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.540 4.981 -6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.792 3.518 -6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.661 1.656 -4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.025 1.664 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.246 1.923 -3.429 1.00 0.00 H new ATOM 159 N ASP A 10 -0.279 6.703 -4.527 1.00 0.00 N ATOM 160 CA ASP A 10 -0.338 8.040 -3.936 1.00 0.00 C ATOM 161 C ASP A 10 -0.125 9.104 -5.011 1.00 0.00 C ATOM 162 O ASP A 10 -0.508 8.916 -6.163 1.00 0.00 O ATOM 163 CB ASP A 10 0.691 8.172 -2.799 1.00 0.00 C ATOM 164 CG ASP A 10 0.294 9.233 -1.780 1.00 0.00 C ATOM 165 OD1 ASP A 10 -0.478 10.143 -2.150 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.756 9.162 -0.618 1.00 0.00 O ATOM 0 H ASP A 10 -0.053 6.698 -5.522 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.328 8.193 -3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.799 7.211 -2.296 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.665 8.422 -3.220 1.00 0.00 H new ATOM 171 N ASP A 11 0.465 10.224 -4.629 1.00 0.00 N ATOM 172 CA ASP A 11 0.698 11.321 -5.565 1.00 0.00 C ATOM 173 C ASP A 11 1.705 10.936 -6.653 1.00 0.00 C ATOM 174 O ASP A 11 1.977 11.729 -7.557 1.00 0.00 O ATOM 175 CB ASP A 11 1.197 12.559 -4.819 1.00 0.00 C ATOM 176 CG ASP A 11 0.092 13.259 -4.052 1.00 0.00 C ATOM 177 OD1 ASP A 11 -0.282 12.766 -2.968 1.00 0.00 O ATOM 178 OD2 ASP A 11 -0.399 14.301 -4.538 1.00 0.00 O ATOM 0 H ASP A 11 0.793 10.402 -3.679 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.254 11.543 -6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.987 12.268 -4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.638 13.256 -5.532 1.00 0.00 H new ATOM 183 N ASP A 12 2.241 9.718 -6.584 1.00 0.00 N ATOM 184 CA ASP A 12 3.190 9.250 -7.588 1.00 0.00 C ATOM 185 C ASP A 12 4.418 10.165 -7.646 1.00 0.00 C ATOM 186 O ASP A 12 4.822 10.723 -6.627 1.00 0.00 O ATOM 187 CB ASP A 12 2.491 9.176 -8.949 1.00 0.00 C ATOM 188 CG ASP A 12 2.804 7.893 -9.694 1.00 0.00 C ATOM 189 OD1 ASP A 12 3.914 7.790 -10.259 1.00 0.00 O ATOM 190 OD2 ASP A 12 1.940 6.992 -9.712 1.00 0.00 O ATOM 0 H ASP A 12 2.035 9.043 -5.848 1.00 0.00 H new ATOM 0 HA ASP A 12 3.540 8.254 -7.315 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.413 9.255 -8.805 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.795 10.028 -9.557 1.00 0.00 H new ATOM 195 N SER A 13 4.997 10.326 -8.844 1.00 0.00 N ATOM 196 CA SER A 13 6.158 11.178 -9.051 1.00 0.00 C ATOM 197 C SER A 13 7.109 11.189 -7.855 1.00 0.00 C ATOM 198 O SER A 13 7.999 10.344 -7.753 1.00 0.00 O ATOM 199 CB SER A 13 5.670 12.578 -9.384 1.00 0.00 C ATOM 200 OG SER A 13 5.042 13.187 -8.270 1.00 0.00 O ATOM 0 H SER A 13 4.667 9.865 -9.692 1.00 0.00 H new ATOM 0 HA SER A 13 6.741 10.776 -9.879 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.511 13.190 -9.708 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.969 12.532 -10.218 1.00 0.00 H new ATOM 0 HG SER A 13 4.741 14.087 -8.516 1.00 0.00 H new ATOM 206 N SER A 14 6.925 12.150 -6.963 1.00 0.00 N ATOM 207 CA SER A 14 7.771 12.275 -5.784 1.00 0.00 C ATOM 208 C SER A 14 7.835 10.964 -5.008 1.00 0.00 C ATOM 209 O SER A 14 8.913 10.412 -4.801 1.00 0.00 O ATOM 210 CB SER A 14 7.240 13.384 -4.877 1.00 0.00 C ATOM 211 OG SER A 14 5.877 13.172 -4.553 1.00 0.00 O ATOM 0 H SER A 14 6.194 12.858 -7.033 1.00 0.00 H new ATOM 0 HA SER A 14 8.778 12.525 -6.117 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.832 13.424 -3.963 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.353 14.348 -5.373 1.00 0.00 H new ATOM 0 HG SER A 14 5.563 13.895 -3.971 1.00 0.00 H new ATOM 217 N ILE A 15 6.678 10.472 -4.585 1.00 0.00 N ATOM 218 CA ILE A 15 6.608 9.226 -3.831 1.00 0.00 C ATOM 219 C ILE A 15 7.157 8.059 -4.641 1.00 0.00 C ATOM 220 O ILE A 15 7.707 7.108 -4.089 1.00 0.00 O ATOM 221 CB ILE A 15 5.161 8.900 -3.408 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.478 10.133 -2.808 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.143 7.745 -2.415 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.112 10.607 -1.516 1.00 0.00 C ATOM 0 H ILE A 15 5.775 10.916 -4.751 1.00 0.00 H new ATOM 0 HA ILE A 15 7.218 9.368 -2.939 1.00 0.00 H new ATOM 0 HB ILE A 15 4.606 8.602 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.506 10.944 -3.536 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.428 9.904 -2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.114 7.528 -2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.584 6.862 -2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.718 8.017 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.577 11.483 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.061 9.812 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.155 10.868 -1.697 1.00 0.00 H new ATOM 236 N ARG A 16 6.993 8.139 -5.953 1.00 0.00 N ATOM 237 CA ARG A 16 7.461 7.088 -6.854 1.00 0.00 C ATOM 238 C ARG A 16 8.983 7.091 -6.988 1.00 0.00 C ATOM 239 O ARG A 16 9.642 6.097 -6.695 1.00 0.00 O ATOM 240 CB ARG A 16 6.826 7.258 -8.236 1.00 0.00 C ATOM 241 CG ARG A 16 7.237 6.185 -9.233 1.00 0.00 C ATOM 242 CD ARG A 16 6.913 6.595 -10.661 1.00 0.00 C ATOM 243 NE ARG A 16 7.838 5.998 -11.625 1.00 0.00 N ATOM 244 CZ ARG A 16 7.533 4.976 -12.427 1.00 0.00 C ATOM 245 NH1 ARG A 16 6.326 4.420 -12.391 1.00 0.00 N ATOM 246 NH2 ARG A 16 8.442 4.506 -13.270 1.00 0.00 N ATOM 0 H ARG A 16 6.538 8.922 -6.422 1.00 0.00 H new ATOM 0 HA ARG A 16 7.161 6.132 -6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.741 7.248 -8.131 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.099 8.235 -8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.306 5.994 -9.142 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.725 5.252 -8.996 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.894 6.294 -10.902 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.953 7.681 -10.745 1.00 0.00 H new ATOM 0 HE ARG A 16 8.778 6.389 -11.688 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.620 4.774 -11.745 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.105 3.639 -13.009 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.371 4.925 -13.304 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.212 3.725 -13.884 1.00 0.00 H new ATOM 260 N TRP A 17 9.532 8.208 -7.452 1.00 0.00 N ATOM 261 CA TRP A 17 10.975 8.332 -7.653 1.00 0.00 C ATOM 262 C TRP A 17 11.782 7.831 -6.458 1.00 0.00 C ATOM 263 O TRP A 17 12.792 7.141 -6.626 1.00 0.00 O ATOM 264 CB TRP A 17 11.349 9.784 -7.949 1.00 0.00 C ATOM 265 CG TRP A 17 12.729 9.925 -8.515 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.132 9.601 -9.777 1.00 0.00 C ATOM 267 CD2 TRP A 17 13.890 10.416 -7.836 1.00 0.00 C ATOM 268 NE1 TRP A 17 14.472 9.862 -9.927 1.00 0.00 N ATOM 269 CE2 TRP A 17 14.961 10.364 -8.750 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.130 10.895 -6.544 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.249 10.774 -8.413 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.409 11.302 -6.211 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.454 11.240 -7.142 1.00 0.00 C ATOM 0 H TRP A 17 9.000 9.043 -7.697 1.00 0.00 H new ATOM 0 HA TRP A 17 11.226 7.701 -8.506 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.629 10.204 -8.651 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.277 10.367 -7.031 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.491 9.198 -10.547 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.015 9.707 -10.777 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.331 10.946 -5.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.057 10.726 -9.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.606 11.674 -5.216 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.442 11.566 -6.851 1.00 0.00 H new ATOM 284 N VAL A 18 11.355 8.188 -5.257 1.00 0.00 N ATOM 285 CA VAL A 18 12.076 7.778 -4.058 1.00 0.00 C ATOM 286 C VAL A 18 11.975 6.279 -3.823 1.00 0.00 C ATOM 287 O VAL A 18 12.980 5.574 -3.821 1.00 0.00 O ATOM 288 CB VAL A 18 11.595 8.513 -2.782 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.749 8.691 -1.809 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.970 9.865 -3.104 1.00 0.00 C ATOM 0 H VAL A 18 10.524 8.754 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 18 13.114 8.052 -4.244 1.00 0.00 H new ATOM 0 HB VAL A 18 10.825 7.894 -2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.396 9.209 -0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.143 7.714 -1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.536 9.278 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.647 10.346 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.705 10.496 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.110 9.722 -3.759 1.00 0.00 H new ATOM 300 N LEU A 19 10.763 5.806 -3.604 1.00 0.00 N ATOM 301 CA LEU A 19 10.528 4.389 -3.332 1.00 0.00 C ATOM 302 C LEU A 19 10.807 3.498 -4.539 1.00 0.00 C ATOM 303 O LEU A 19 11.037 2.302 -4.382 1.00 0.00 O ATOM 304 CB LEU A 19 9.099 4.165 -2.832 1.00 0.00 C ATOM 305 CG LEU A 19 8.962 3.124 -1.713 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.800 3.519 -0.505 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.502 2.954 -1.316 1.00 0.00 C ATOM 0 H LEU A 19 9.919 6.379 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 19 11.235 4.103 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.701 5.115 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.479 3.856 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 19 9.331 2.169 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.688 2.768 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.848 3.587 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.464 4.486 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.425 2.212 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.108 3.907 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.926 2.622 -2.180 1.00 0.00 H new ATOM 319 N GLU A 20 10.781 4.057 -5.738 1.00 0.00 N ATOM 320 CA GLU A 20 11.033 3.254 -6.927 1.00 0.00 C ATOM 321 C GLU A 20 12.477 2.767 -6.982 1.00 0.00 C ATOM 322 O GLU A 20 12.738 1.564 -7.013 1.00 0.00 O ATOM 323 CB GLU A 20 10.660 4.006 -8.214 1.00 0.00 C ATOM 324 CG GLU A 20 11.611 5.115 -8.624 1.00 0.00 C ATOM 325 CD GLU A 20 11.198 5.782 -9.921 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.063 5.538 -10.379 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.011 6.548 -10.480 1.00 0.00 O ATOM 0 H GLU A 20 10.592 5.044 -5.914 1.00 0.00 H new ATOM 0 HA GLU A 20 10.388 2.378 -6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.597 3.285 -9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.665 4.433 -8.089 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.655 5.863 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.616 4.706 -8.733 1.00 0.00 H new ATOM 334 N ARG A 21 13.412 3.704 -7.008 1.00 0.00 N ATOM 335 CA ARG A 21 14.830 3.365 -7.083 1.00 0.00 C ATOM 336 C ARG A 21 15.375 2.848 -5.755 1.00 0.00 C ATOM 337 O ARG A 21 16.074 1.836 -5.721 1.00 0.00 O ATOM 338 CB ARG A 21 15.647 4.573 -7.550 1.00 0.00 C ATOM 339 CG ARG A 21 15.230 5.097 -8.916 1.00 0.00 C ATOM 340 CD ARG A 21 16.349 4.977 -9.940 1.00 0.00 C ATOM 341 NE ARG A 21 17.457 5.888 -9.662 1.00 0.00 N ATOM 342 CZ ARG A 21 18.331 6.295 -10.582 1.00 0.00 C ATOM 343 NH1 ARG A 21 18.234 5.868 -11.835 1.00 0.00 N ATOM 344 NH2 ARG A 21 19.303 7.130 -10.247 1.00 0.00 N ATOM 0 H ARG A 21 13.218 4.705 -6.978 1.00 0.00 H new ATOM 0 HA ARG A 21 14.925 2.560 -7.811 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.548 5.374 -6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.701 4.298 -7.582 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.358 4.544 -9.266 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.930 6.141 -8.827 1.00 0.00 H new ATOM 0 HD2 ARG A 21 16.719 3.952 -9.952 1.00 0.00 H new ATOM 0 HD3 ARG A 21 15.952 5.184 -10.934 1.00 0.00 H new ATOM 0 HE ARG A 21 17.568 6.232 -8.708 1.00 0.00 H new ATOM 0 HH11 ARG A 21 17.487 5.225 -12.098 1.00 0.00 H new ATOM 0 HH12 ARG A 21 18.906 6.183 -12.535 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.382 7.461 -9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 21 19.972 7.442 -10.951 1.00 0.00 H new ATOM 358 N ALA A 22 15.073 3.544 -4.666 1.00 0.00 N ATOM 359 CA ALA A 22 15.564 3.135 -3.354 1.00 0.00 C ATOM 360 C ALA A 22 15.189 1.699 -3.035 1.00 0.00 C ATOM 361 O ALA A 22 16.058 0.860 -2.793 1.00 0.00 O ATOM 362 CB ALA A 22 15.063 4.077 -2.271 1.00 0.00 C ATOM 0 H ALA A 22 14.497 4.386 -4.663 1.00 0.00 H new ATOM 0 HA ALA A 22 16.652 3.190 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.442 3.752 -1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.414 5.088 -2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.973 4.067 -2.256 1.00 0.00 H new ATOM 368 N LEU A 23 13.899 1.415 -3.037 1.00 0.00 N ATOM 369 CA LEU A 23 13.432 0.064 -2.747 1.00 0.00 C ATOM 370 C LEU A 23 14.026 -0.918 -3.749 1.00 0.00 C ATOM 371 O LEU A 23 14.243 -2.089 -3.432 1.00 0.00 O ATOM 372 CB LEU A 23 11.898 -0.017 -2.736 1.00 0.00 C ATOM 373 CG LEU A 23 11.268 -0.242 -1.354 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.749 -0.339 -1.459 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.834 -1.495 -0.700 1.00 0.00 C ATOM 0 H LEU A 23 13.160 2.091 -3.233 1.00 0.00 H new ATOM 0 HA LEU A 23 13.772 -0.206 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.498 0.906 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.588 -0.827 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 23 11.516 0.616 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.325 -0.498 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.353 0.586 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.482 -1.174 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.373 -1.635 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.622 -2.360 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 23 12.912 -1.388 -0.581 1.00 0.00 H new ATOM 387 N ALA A 24 14.321 -0.430 -4.953 1.00 0.00 N ATOM 388 CA ALA A 24 14.927 -1.273 -5.974 1.00 0.00 C ATOM 389 C ALA A 24 16.282 -1.769 -5.491 1.00 0.00 C ATOM 390 O ALA A 24 16.668 -2.911 -5.745 1.00 0.00 O ATOM 391 CB ALA A 24 15.077 -0.514 -7.284 1.00 0.00 C ATOM 0 H ALA A 24 14.151 0.534 -5.240 1.00 0.00 H new ATOM 0 HA ALA A 24 14.275 -2.128 -6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.532 -1.164 -8.031 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.096 -0.192 -7.632 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.711 0.359 -7.128 1.00 0.00 H new ATOM 397 N GLY A 25 16.995 -0.901 -4.774 1.00 0.00 N ATOM 398 CA GLY A 25 18.292 -1.270 -4.244 1.00 0.00 C ATOM 399 C GLY A 25 18.175 -2.368 -3.208 1.00 0.00 C ATOM 400 O GLY A 25 19.119 -3.127 -2.987 1.00 0.00 O ATOM 0 H GLY A 25 16.695 0.049 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.937 -1.602 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.766 -0.396 -3.798 1.00 0.00 H new ATOM 404 N ALA A 26 17.005 -2.456 -2.580 1.00 0.00 N ATOM 405 CA ALA A 26 16.752 -3.469 -1.571 1.00 0.00 C ATOM 406 C ALA A 26 16.499 -4.830 -2.215 1.00 0.00 C ATOM 407 O ALA A 26 16.562 -5.863 -1.548 1.00 0.00 O ATOM 408 CB ALA A 26 15.571 -3.063 -0.699 1.00 0.00 C ATOM 0 H ALA A 26 16.217 -1.833 -2.757 1.00 0.00 H new ATOM 0 HA ALA A 26 17.638 -3.553 -0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.393 -3.832 0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.792 -2.117 -0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.682 -2.950 -1.320 1.00 0.00 H new ATOM 414 N GLY A 27 16.229 -4.827 -3.519 1.00 0.00 N ATOM 415 CA GLY A 27 15.993 -6.069 -4.229 1.00 0.00 C ATOM 416 C GLY A 27 14.526 -6.335 -4.511 1.00 0.00 C ATOM 417 O GLY A 27 14.125 -7.488 -4.660 1.00 0.00 O ATOM 0 H GLY A 27 16.170 -3.987 -4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.538 -6.048 -5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.398 -6.895 -3.645 1.00 0.00 H new ATOM 421 N LEU A 28 13.718 -5.281 -4.594 1.00 0.00 N ATOM 422 CA LEU A 28 12.298 -5.445 -4.869 1.00 0.00 C ATOM 423 C LEU A 28 11.846 -4.546 -6.011 1.00 0.00 C ATOM 424 O LEU A 28 12.601 -3.698 -6.486 1.00 0.00 O ATOM 425 CB LEU A 28 11.454 -5.162 -3.622 1.00 0.00 C ATOM 426 CG LEU A 28 12.193 -5.276 -2.290 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.788 -3.939 -1.906 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.261 -5.789 -1.201 1.00 0.00 C ATOM 0 H LEU A 28 14.021 -4.314 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 28 12.149 -6.484 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.041 -4.156 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.611 -5.853 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 28 13.005 -5.994 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.312 -4.034 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.489 -3.618 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.992 -3.201 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.807 -5.863 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.425 -5.099 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.883 -6.773 -1.479 1.00 0.00 H new ATOM 440 N THR A 29 10.605 -4.741 -6.440 1.00 0.00 N ATOM 441 CA THR A 29 10.026 -3.955 -7.522 1.00 0.00 C ATOM 442 C THR A 29 9.055 -2.923 -6.962 1.00 0.00 C ATOM 443 O THR A 29 7.980 -3.271 -6.476 1.00 0.00 O ATOM 444 CB THR A 29 9.306 -4.874 -8.512 1.00 0.00 C ATOM 445 OG1 THR A 29 10.233 -5.699 -9.194 1.00 0.00 O ATOM 446 CG2 THR A 29 8.498 -4.129 -9.553 1.00 0.00 C ATOM 0 H THR A 29 9.976 -5.443 -6.051 1.00 0.00 H new ATOM 0 HA THR A 29 10.828 -3.433 -8.045 1.00 0.00 H new ATOM 0 HB THR A 29 8.620 -5.466 -7.906 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.754 -6.280 -9.821 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.016 -4.844 -10.220 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.738 -3.524 -9.059 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.158 -3.482 -10.131 1.00 0.00 H new ATOM 454 N CYS A 30 9.438 -1.653 -7.021 1.00 0.00 N ATOM 455 CA CYS A 30 8.588 -0.592 -6.503 1.00 0.00 C ATOM 456 C CYS A 30 7.946 0.217 -7.620 1.00 0.00 C ATOM 457 O CYS A 30 8.614 0.976 -8.323 1.00 0.00 O ATOM 458 CB CYS A 30 9.374 0.324 -5.568 1.00 0.00 C ATOM 459 SG CYS A 30 8.330 1.322 -4.477 1.00 0.00 S ATOM 0 H CYS A 30 10.323 -1.337 -7.418 1.00 0.00 H new ATOM 0 HA CYS A 30 7.787 -1.068 -5.938 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.045 -0.282 -4.959 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.999 0.988 -6.165 1.00 0.00 H new ATOM 0 HG CYS A 30 7.980 2.413 -5.091 1.00 0.00 H new ATOM 465 N THR A 31 6.634 0.056 -7.753 1.00 0.00 N ATOM 466 CA THR A 31 5.862 0.773 -8.753 1.00 0.00 C ATOM 467 C THR A 31 4.783 1.590 -8.052 1.00 0.00 C ATOM 468 O THR A 31 4.338 1.230 -6.962 1.00 0.00 O ATOM 469 CB THR A 31 5.237 -0.203 -9.759 1.00 0.00 C ATOM 470 OG1 THR A 31 4.892 0.468 -10.957 1.00 0.00 O ATOM 471 CG2 THR A 31 3.989 -0.890 -9.250 1.00 0.00 C ATOM 0 H THR A 31 6.080 -0.573 -7.172 1.00 0.00 H new ATOM 0 HA THR A 31 6.520 1.442 -9.308 1.00 0.00 H new ATOM 0 HB THR A 31 6.002 -0.961 -9.928 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.497 -0.170 -11.587 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.606 -1.563 -10.017 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.228 -1.460 -8.353 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.233 -0.142 -9.013 1.00 0.00 H new ATOM 479 N THR A 32 4.375 2.696 -8.656 1.00 0.00 N ATOM 480 CA THR A 32 3.366 3.542 -8.044 1.00 0.00 C ATOM 481 C THR A 32 2.177 3.778 -8.969 1.00 0.00 C ATOM 482 O THR A 32 2.257 3.568 -10.179 1.00 0.00 O ATOM 483 CB THR A 32 3.988 4.865 -7.610 1.00 0.00 C ATOM 484 OG1 THR A 32 4.405 5.625 -8.733 1.00 0.00 O ATOM 485 CG2 THR A 32 5.186 4.671 -6.704 1.00 0.00 C ATOM 0 H THR A 32 4.722 3.024 -9.557 1.00 0.00 H new ATOM 0 HA THR A 32 2.984 3.022 -7.165 1.00 0.00 H new ATOM 0 HB THR A 32 3.209 5.394 -7.060 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.429 5.050 -9.526 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.592 5.643 -6.424 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.880 4.133 -5.807 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.950 4.097 -7.229 1.00 0.00 H new ATOM 493 N PHE A 33 1.067 4.194 -8.368 1.00 0.00 N ATOM 494 CA PHE A 33 -0.172 4.445 -9.091 1.00 0.00 C ATOM 495 C PHE A 33 -0.782 5.792 -8.674 1.00 0.00 C ATOM 496 O PHE A 33 -0.248 6.476 -7.800 1.00 0.00 O ATOM 497 CB PHE A 33 -1.158 3.295 -8.876 1.00 0.00 C ATOM 498 CG PHE A 33 -0.608 1.936 -9.221 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.460 1.406 -8.514 1.00 0.00 C ATOM 500 CD2 PHE A 33 -1.173 1.179 -10.234 1.00 0.00 C ATOM 501 CE1 PHE A 33 0.953 0.150 -8.809 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.682 -0.076 -10.538 1.00 0.00 C ATOM 503 CZ PHE A 33 0.381 -0.592 -9.826 1.00 0.00 C ATOM 0 H PHE A 33 1.002 4.366 -7.365 1.00 0.00 H new ATOM 0 HA PHE A 33 0.052 4.500 -10.156 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.474 3.292 -7.833 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.048 3.478 -9.478 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.913 1.983 -7.721 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.008 1.575 -10.793 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.783 -0.252 -8.247 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.130 -0.653 -11.333 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.766 -1.573 -10.062 1.00 0.00 H new ATOM 513 N GLU A 34 -1.861 6.196 -9.348 1.00 0.00 N ATOM 514 CA GLU A 34 -2.503 7.490 -9.103 1.00 0.00 C ATOM 515 C GLU A 34 -3.013 7.687 -7.667 1.00 0.00 C ATOM 516 O GLU A 34 -2.704 8.702 -7.046 1.00 0.00 O ATOM 517 CB GLU A 34 -3.665 7.663 -10.079 1.00 0.00 C ATOM 518 CG GLU A 34 -4.600 6.465 -10.130 1.00 0.00 C ATOM 519 CD GLU A 34 -6.027 6.805 -9.752 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.479 7.922 -10.079 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.695 5.948 -9.135 1.00 0.00 O ATOM 0 H GLU A 34 -2.312 5.640 -10.074 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.732 8.246 -9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.236 8.548 -9.798 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.266 7.845 -11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.588 6.045 -11.136 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.227 5.692 -9.458 1.00 0.00 H new ATOM 528 N ASN A 35 -3.798 6.754 -7.134 1.00 0.00 N ATOM 529 CA ASN A 35 -4.317 6.915 -5.773 1.00 0.00 C ATOM 530 C ASN A 35 -4.827 5.607 -5.178 1.00 0.00 C ATOM 531 O ASN A 35 -4.865 5.447 -3.958 1.00 0.00 O ATOM 532 CB ASN A 35 -5.425 7.972 -5.738 1.00 0.00 C ATOM 533 CG ASN A 35 -6.458 7.775 -6.831 1.00 0.00 C ATOM 534 OD1 ASN A 35 -6.561 8.583 -7.751 1.00 0.00 O ATOM 535 ND2 ASN A 35 -7.236 6.702 -6.728 1.00 0.00 N ATOM 0 H ASN A 35 -4.085 5.897 -7.608 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.479 7.246 -5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.919 7.942 -4.767 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.980 8.962 -5.839 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.954 6.523 -7.430 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.115 6.057 -5.947 1.00 0.00 H new ATOM 542 N GLY A 36 -5.207 4.673 -6.035 1.00 0.00 N ATOM 543 CA GLY A 36 -5.692 3.394 -5.562 1.00 0.00 C ATOM 544 C GLY A 36 -6.430 2.627 -6.633 1.00 0.00 C ATOM 545 O GLY A 36 -6.119 1.466 -6.897 1.00 0.00 O ATOM 0 H GLY A 36 -5.188 4.777 -7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.851 2.798 -5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.354 3.552 -4.710 1.00 0.00 H new ATOM 549 N ASN A 37 -7.409 3.277 -7.256 1.00 0.00 N ATOM 550 CA ASN A 37 -8.195 2.647 -8.308 1.00 0.00 C ATOM 551 C ASN A 37 -7.292 2.056 -9.386 1.00 0.00 C ATOM 552 O ASN A 37 -7.609 1.021 -9.975 1.00 0.00 O ATOM 553 CB ASN A 37 -9.170 3.653 -8.922 1.00 0.00 C ATOM 554 CG ASN A 37 -10.274 4.050 -7.958 1.00 0.00 C ATOM 555 OD1 ASN A 37 -11.003 3.061 -7.446 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -10.471 5.232 -7.675 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.676 4.240 -7.049 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.767 1.834 -7.861 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.623 4.544 -9.230 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.613 3.224 -9.821 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.889 5.960 -8.090 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.216 5.484 -7.026 1.00 0.00 H new ATOM 563 N GLU A 38 -6.164 2.710 -9.635 1.00 0.00 N ATOM 564 CA GLU A 38 -5.227 2.227 -10.638 1.00 0.00 C ATOM 565 C GLU A 38 -4.696 0.846 -10.261 1.00 0.00 C ATOM 566 O GLU A 38 -4.786 -0.092 -11.053 1.00 0.00 O ATOM 567 CB GLU A 38 -4.069 3.208 -10.822 1.00 0.00 C ATOM 568 CG GLU A 38 -3.936 3.732 -12.245 1.00 0.00 C ATOM 569 CD GLU A 38 -2.624 3.340 -12.898 1.00 0.00 C ATOM 570 OE1 GLU A 38 -2.303 2.134 -12.906 1.00 0.00 O ATOM 571 OE2 GLU A 38 -1.920 4.239 -13.405 1.00 0.00 O ATOM 0 H GLU A 38 -5.879 3.567 -9.161 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.762 2.147 -11.584 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.206 4.051 -10.145 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.139 2.717 -10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.763 3.352 -12.845 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.021 4.819 -12.236 1.00 0.00 H new ATOM 578 N VAL A 39 -4.141 0.713 -9.052 1.00 0.00 N ATOM 579 CA VAL A 39 -3.609 -0.581 -8.615 1.00 0.00 C ATOM 580 C VAL A 39 -4.657 -1.683 -8.723 1.00 0.00 C ATOM 581 O VAL A 39 -4.343 -2.813 -9.088 1.00 0.00 O ATOM 582 CB VAL A 39 -3.109 -0.538 -7.165 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.174 -1.705 -6.883 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.423 0.777 -6.878 1.00 0.00 C ATOM 0 H VAL A 39 -4.049 1.468 -8.372 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.773 -0.798 -9.280 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.971 -0.626 -6.504 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.831 -1.655 -5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.704 -2.643 -7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.316 -1.654 -7.553 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.076 0.788 -5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.572 0.897 -7.548 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.126 1.596 -7.033 1.00 0.00 H new ATOM 594 N LEU A 40 -5.900 -1.351 -8.390 1.00 0.00 N ATOM 595 CA LEU A 40 -6.990 -2.323 -8.441 1.00 0.00 C ATOM 596 C LEU A 40 -7.047 -3.007 -9.805 1.00 0.00 C ATOM 597 O LEU A 40 -7.198 -4.226 -9.893 1.00 0.00 O ATOM 598 CB LEU A 40 -8.328 -1.645 -8.145 1.00 0.00 C ATOM 599 CG LEU A 40 -8.341 -0.744 -6.909 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.744 -0.223 -6.643 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.808 -1.489 -5.694 1.00 0.00 C ATOM 0 H LEU A 40 -6.179 -0.419 -8.083 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.799 -3.079 -7.680 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.615 -1.050 -9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.088 -2.416 -8.021 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.688 0.108 -7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.734 0.416 -5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.088 0.352 -7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.418 -1.063 -6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.826 -0.830 -4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.432 -2.362 -5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.784 -1.810 -5.884 1.00 0.00 H new ATOM 613 N ALA A 41 -6.925 -2.216 -10.864 1.00 0.00 N ATOM 614 CA ALA A 41 -6.961 -2.748 -12.221 1.00 0.00 C ATOM 615 C ALA A 41 -5.734 -3.602 -12.506 1.00 0.00 C ATOM 616 O ALA A 41 -5.838 -4.715 -13.021 1.00 0.00 O ATOM 617 CB ALA A 41 -7.059 -1.612 -13.227 1.00 0.00 C ATOM 0 H ALA A 41 -6.800 -1.205 -10.810 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.843 -3.382 -12.315 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.085 -2.021 -14.237 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.969 -1.041 -13.043 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.193 -0.958 -13.123 1.00 0.00 H new ATOM 623 N ALA A 42 -4.578 -3.061 -12.170 1.00 0.00 N ATOM 624 CA ALA A 42 -3.309 -3.744 -12.383 1.00 0.00 C ATOM 625 C ALA A 42 -3.213 -5.020 -11.552 1.00 0.00 C ATOM 626 O ALA A 42 -2.695 -6.037 -12.015 1.00 0.00 O ATOM 627 CB ALA A 42 -2.151 -2.811 -12.054 1.00 0.00 C ATOM 0 H ALA A 42 -4.489 -2.139 -11.743 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.254 -4.028 -13.434 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.207 -3.331 -12.217 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.197 -1.933 -12.698 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.219 -2.500 -11.011 1.00 0.00 H new ATOM 633 N LEU A 43 -3.707 -4.959 -10.320 1.00 0.00 N ATOM 634 CA LEU A 43 -3.670 -6.108 -9.420 1.00 0.00 C ATOM 635 C LEU A 43 -4.410 -7.300 -10.008 1.00 0.00 C ATOM 636 O LEU A 43 -4.110 -8.451 -9.688 1.00 0.00 O ATOM 637 CB LEU A 43 -4.271 -5.744 -8.066 1.00 0.00 C ATOM 638 CG LEU A 43 -3.324 -5.028 -7.113 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.099 -4.433 -5.955 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.269 -5.995 -6.610 1.00 0.00 C ATOM 0 H LEU A 43 -4.138 -4.125 -9.921 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.625 -6.387 -9.287 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.143 -5.111 -8.231 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.625 -6.656 -7.585 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.827 -4.217 -7.646 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.411 -3.924 -5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.830 -3.719 -6.335 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.614 -5.228 -5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.595 -5.476 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.752 -6.819 -6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.701 -6.386 -7.454 1.00 0.00 H new ATOM 652 N ALA A 44 -5.375 -7.020 -10.871 1.00 0.00 N ATOM 653 CA ALA A 44 -6.157 -8.073 -11.507 1.00 0.00 C ATOM 654 C ALA A 44 -5.263 -9.032 -12.289 1.00 0.00 C ATOM 655 O ALA A 44 -5.695 -10.120 -12.672 1.00 0.00 O ATOM 656 CB ALA A 44 -7.214 -7.468 -12.420 1.00 0.00 C ATOM 0 H ALA A 44 -5.636 -6.074 -11.148 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.654 -8.644 -10.722 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.790 -8.266 -12.888 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.880 -6.834 -11.835 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.729 -6.870 -13.192 1.00 0.00 H new ATOM 662 N SER A 45 -4.018 -8.623 -12.534 1.00 0.00 N ATOM 663 CA SER A 45 -3.078 -9.444 -13.274 1.00 0.00 C ATOM 664 C SER A 45 -1.853 -9.814 -12.434 1.00 0.00 C ATOM 665 O SER A 45 -1.042 -10.642 -12.850 1.00 0.00 O ATOM 666 CB SER A 45 -2.637 -8.719 -14.547 1.00 0.00 C ATOM 667 OG SER A 45 -3.269 -9.265 -15.690 1.00 0.00 O ATOM 0 H SER A 45 -3.643 -7.725 -12.227 1.00 0.00 H new ATOM 0 HA SER A 45 -3.589 -10.370 -13.537 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.877 -7.659 -14.467 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.555 -8.794 -14.655 1.00 0.00 H new ATOM 0 HG SER A 45 -2.972 -8.783 -16.490 1.00 0.00 H new ATOM 673 N LYS A 46 -1.710 -9.202 -11.259 1.00 0.00 N ATOM 674 CA LYS A 46 -0.571 -9.488 -10.395 1.00 0.00 C ATOM 675 C LYS A 46 -0.840 -9.082 -8.948 1.00 0.00 C ATOM 676 O LYS A 46 -1.780 -8.342 -8.660 1.00 0.00 O ATOM 677 CB LYS A 46 0.675 -8.766 -10.910 1.00 0.00 C ATOM 678 CG LYS A 46 1.971 -9.514 -10.643 1.00 0.00 C ATOM 679 CD LYS A 46 3.017 -8.613 -10.006 1.00 0.00 C ATOM 680 CE LYS A 46 4.353 -8.717 -10.723 1.00 0.00 C ATOM 681 NZ LYS A 46 4.348 -7.982 -12.016 1.00 0.00 N ATOM 0 H LYS A 46 -2.363 -8.512 -10.888 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.406 -10.565 -10.416 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.573 -8.606 -11.983 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.732 -7.782 -10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.774 -10.363 -9.988 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.358 -9.917 -11.579 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.671 -7.580 -10.028 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.143 -8.885 -8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.140 -8.319 -10.083 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.588 -9.766 -10.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.277 -8.078 -12.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.614 -8.378 -12.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.150 -6.976 -11.843 1.00 0.00 H new ATOM 695 N THR A 47 0.002 -9.576 -8.041 1.00 0.00 N ATOM 696 CA THR A 47 -0.124 -9.276 -6.626 1.00 0.00 C ATOM 697 C THR A 47 1.247 -9.011 -6.000 1.00 0.00 C ATOM 698 O THR A 47 2.108 -9.891 -5.987 1.00 0.00 O ATOM 699 CB THR A 47 -0.817 -10.431 -5.896 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.134 -10.627 -6.385 1.00 0.00 O ATOM 701 CG2 THR A 47 -0.909 -10.225 -4.397 1.00 0.00 C ATOM 0 H THR A 47 0.783 -10.190 -8.270 1.00 0.00 H new ATOM 0 HA THR A 47 -0.730 -8.376 -6.524 1.00 0.00 H new ATOM 0 HB THR A 47 -0.194 -11.304 -6.091 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.554 -11.370 -5.904 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.410 -11.079 -3.942 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.094 -10.129 -3.981 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.477 -9.318 -4.189 1.00 0.00 H new ATOM 709 N PRO A 48 1.470 -7.796 -5.467 1.00 0.00 N ATOM 710 CA PRO A 48 2.743 -7.433 -4.838 1.00 0.00 C ATOM 711 C PRO A 48 2.894 -8.055 -3.455 1.00 0.00 C ATOM 712 O PRO A 48 1.907 -8.396 -2.809 1.00 0.00 O ATOM 713 CB PRO A 48 2.653 -5.913 -4.729 1.00 0.00 C ATOM 714 CG PRO A 48 1.197 -5.641 -4.592 1.00 0.00 C ATOM 715 CD PRO A 48 0.504 -6.680 -5.432 1.00 0.00 C ATOM 0 HA PRO A 48 3.602 -7.786 -5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.210 -5.542 -3.869 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.068 -5.425 -5.611 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.883 -5.708 -3.550 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.953 -4.635 -4.935 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.445 -6.985 -4.991 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.286 -6.307 -6.433 1.00 0.00 H new ATOM 723 N ASP A 49 4.133 -8.198 -3.000 1.00 0.00 N ATOM 724 CA ASP A 49 4.390 -8.776 -1.687 1.00 0.00 C ATOM 725 C ASP A 49 4.031 -7.788 -0.583 1.00 0.00 C ATOM 726 O ASP A 49 3.666 -8.184 0.525 1.00 0.00 O ATOM 727 CB ASP A 49 5.855 -9.190 -1.562 1.00 0.00 C ATOM 728 CG ASP A 49 6.229 -10.290 -2.535 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.331 -11.060 -2.935 1.00 0.00 O ATOM 730 OD2 ASP A 49 7.421 -10.381 -2.896 1.00 0.00 O ATOM 0 H ASP A 49 4.969 -7.924 -3.516 1.00 0.00 H new ATOM 0 HA ASP A 49 3.764 -9.661 -1.578 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.491 -8.322 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.049 -9.528 -0.544 1.00 0.00 H new ATOM 735 N VAL A 50 4.126 -6.501 -0.898 1.00 0.00 N ATOM 736 CA VAL A 50 3.807 -5.456 0.062 1.00 0.00 C ATOM 737 C VAL A 50 3.172 -4.262 -0.646 1.00 0.00 C ATOM 738 O VAL A 50 3.863 -3.439 -1.247 1.00 0.00 O ATOM 739 CB VAL A 50 5.062 -4.993 0.827 1.00 0.00 C ATOM 740 CG1 VAL A 50 6.138 -4.530 -0.141 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.708 -3.897 1.819 1.00 0.00 C ATOM 0 H VAL A 50 4.422 -6.158 -1.812 1.00 0.00 H new ATOM 0 HA VAL A 50 3.100 -5.873 0.780 1.00 0.00 H new ATOM 0 HB VAL A 50 5.458 -5.839 1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.016 -4.207 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.411 -5.353 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.760 -3.698 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.607 -3.583 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.285 -3.046 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.978 -4.276 2.534 1.00 0.00 H new ATOM 751 N LEU A 51 1.845 -4.183 -0.582 1.00 0.00 N ATOM 752 CA LEU A 51 1.113 -3.101 -1.229 1.00 0.00 C ATOM 753 C LEU A 51 0.987 -1.874 -0.332 1.00 0.00 C ATOM 754 O LEU A 51 0.845 -1.980 0.885 1.00 0.00 O ATOM 755 CB LEU A 51 -0.281 -3.570 -1.650 1.00 0.00 C ATOM 756 CG LEU A 51 -1.135 -2.499 -2.329 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.470 -2.028 -3.611 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.535 -3.025 -2.617 1.00 0.00 C ATOM 0 H LEU A 51 1.257 -4.855 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 51 1.686 -2.816 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.176 -4.416 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.810 -3.933 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.224 -1.651 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.089 -1.266 -4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.509 -1.608 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.352 -2.872 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.124 -2.246 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.470 -3.891 -3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.014 -3.315 -1.682 1.00 0.00 H new ATOM 770 N LEU A 52 1.018 -0.709 -0.966 1.00 0.00 N ATOM 771 CA LEU A 52 0.887 0.566 -0.273 1.00 0.00 C ATOM 772 C LEU A 52 -0.125 1.431 -1.021 1.00 0.00 C ATOM 773 O LEU A 52 0.115 1.798 -2.164 1.00 0.00 O ATOM 774 CB LEU A 52 2.238 1.278 -0.230 1.00 0.00 C ATOM 775 CG LEU A 52 3.228 0.771 0.816 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.654 0.869 0.290 1.00 0.00 C ATOM 777 CD2 LEU A 52 3.082 1.559 2.108 1.00 0.00 C ATOM 0 H LEU A 52 1.135 -0.621 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 52 0.548 0.394 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.703 1.193 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.062 2.339 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 52 3.008 -0.276 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.347 0.504 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.751 0.265 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.885 1.908 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.794 1.186 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.278 2.614 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.069 1.443 2.492 1.00 0.00 H new ATOM 789 N SER A 53 -1.264 1.731 -0.397 1.00 0.00 N ATOM 790 CA SER A 53 -2.300 2.525 -1.063 1.00 0.00 C ATOM 791 C SER A 53 -2.473 3.915 -0.455 1.00 0.00 C ATOM 792 O SER A 53 -2.269 4.117 0.737 1.00 0.00 O ATOM 793 CB SER A 53 -3.635 1.775 -1.027 1.00 0.00 C ATOM 794 OG SER A 53 -4.029 1.369 -2.326 1.00 0.00 O ATOM 0 H SER A 53 -1.492 1.442 0.554 1.00 0.00 H new ATOM 0 HA SER A 53 -1.973 2.668 -2.093 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.547 0.901 -0.381 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.404 2.415 -0.594 1.00 0.00 H new ATOM 0 HG SER A 53 -4.883 0.891 -2.274 1.00 0.00 H new ATOM 800 N ASP A 54 -2.876 4.869 -1.296 1.00 0.00 N ATOM 801 CA ASP A 54 -3.107 6.237 -0.850 1.00 0.00 C ATOM 802 C ASP A 54 -4.467 6.335 -0.184 1.00 0.00 C ATOM 803 O ASP A 54 -5.175 5.337 -0.049 1.00 0.00 O ATOM 804 CB ASP A 54 -3.045 7.219 -2.024 1.00 0.00 C ATOM 805 CG ASP A 54 -2.697 8.627 -1.580 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.075 8.774 -0.507 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.050 9.582 -2.304 1.00 0.00 O ATOM 0 H ASP A 54 -3.048 4.716 -2.290 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.324 6.499 -0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.303 6.874 -2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.007 7.230 -2.537 1.00 0.00 H new ATOM 812 N ILE A 55 -4.830 7.534 0.240 1.00 0.00 N ATOM 813 CA ILE A 55 -6.099 7.736 0.898 1.00 0.00 C ATOM 814 C ILE A 55 -6.526 9.201 0.857 1.00 0.00 C ATOM 815 O ILE A 55 -6.471 9.901 1.868 1.00 0.00 O ATOM 816 CB ILE A 55 -6.012 7.246 2.349 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.250 7.638 3.157 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.754 7.786 2.999 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.583 6.649 4.250 1.00 0.00 C ATOM 0 H ILE A 55 -4.263 8.376 0.139 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.855 7.160 0.364 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.970 6.157 2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.090 8.621 3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.103 7.727 2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.697 7.435 4.029 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.881 7.436 2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.778 8.876 2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.471 6.984 4.786 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.773 5.670 3.810 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.745 6.578 4.944 1.00 0.00 H new ATOM 831 N ARG A 56 -6.953 9.653 -0.319 1.00 0.00 N ATOM 832 CA ARG A 56 -7.392 11.033 -0.496 1.00 0.00 C ATOM 833 C ARG A 56 -7.773 11.303 -1.953 1.00 0.00 C ATOM 834 O ARG A 56 -7.149 12.126 -2.624 1.00 0.00 O ATOM 835 CB ARG A 56 -6.288 12.003 -0.063 1.00 0.00 C ATOM 836 CG ARG A 56 -6.814 13.321 0.477 1.00 0.00 C ATOM 837 CD ARG A 56 -6.701 14.430 -0.555 1.00 0.00 C ATOM 838 NE ARG A 56 -7.069 15.731 -0.003 1.00 0.00 N ATOM 839 CZ ARG A 56 -6.217 16.547 0.614 1.00 0.00 C ATOM 840 NH1 ARG A 56 -4.945 16.200 0.770 1.00 0.00 N ATOM 841 NH2 ARG A 56 -6.640 17.714 1.079 1.00 0.00 N ATOM 0 H ARG A 56 -7.004 9.083 -1.163 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.272 11.188 0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.676 11.525 0.702 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.637 12.203 -0.914 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.856 13.204 0.774 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.257 13.597 1.372 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.679 14.472 -0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.345 14.202 -1.405 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.039 16.033 -0.096 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.614 15.302 0.416 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.299 16.831 1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.617 17.985 0.964 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.989 18.341 1.552 1.00 0.00 H new ATOM 855 N MET A 57 -8.803 10.612 -2.439 1.00 0.00 N ATOM 856 CA MET A 57 -9.254 10.795 -3.819 1.00 0.00 C ATOM 857 C MET A 57 -10.659 10.229 -4.042 1.00 0.00 C ATOM 858 O MET A 57 -11.582 10.969 -4.387 1.00 0.00 O ATOM 859 CB MET A 57 -8.266 10.153 -4.798 1.00 0.00 C ATOM 860 CG MET A 57 -7.961 11.019 -6.010 1.00 0.00 C ATOM 861 SD MET A 57 -6.898 12.420 -5.617 1.00 0.00 S ATOM 862 CE MET A 57 -5.302 11.778 -6.117 1.00 0.00 C ATOM 0 H MET A 57 -9.337 9.927 -1.904 1.00 0.00 H new ATOM 0 HA MET A 57 -9.296 11.868 -4.005 1.00 0.00 H new ATOM 0 HB2 MET A 57 -7.336 9.937 -4.273 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.670 9.199 -5.136 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.482 10.409 -6.776 1.00 0.00 H new ATOM 0 HG3 MET A 57 -8.896 11.386 -6.433 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.637 12.606 -6.362 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.872 11.197 -5.301 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.424 11.140 -6.992 1.00 0.00 H new ATOM 872 N PRO A 58 -10.843 8.905 -3.865 1.00 0.00 N ATOM 873 CA PRO A 58 -12.146 8.253 -4.068 1.00 0.00 C ATOM 874 C PRO A 58 -13.240 8.811 -3.163 1.00 0.00 C ATOM 875 O PRO A 58 -13.006 9.735 -2.384 1.00 0.00 O ATOM 876 CB PRO A 58 -11.874 6.782 -3.726 1.00 0.00 C ATOM 877 CG PRO A 58 -10.618 6.799 -2.924 1.00 0.00 C ATOM 878 CD PRO A 58 -9.806 7.934 -3.470 1.00 0.00 C ATOM 0 HA PRO A 58 -12.513 8.412 -5.082 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.698 6.349 -3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.758 6.182 -4.628 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.831 6.944 -1.865 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.082 5.854 -3.015 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.128 8.345 -2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.195 7.625 -4.318 1.00 0.00 H new ATOM 886 N GLY A 59 -14.437 8.233 -3.270 1.00 0.00 N ATOM 887 CA GLY A 59 -15.559 8.673 -2.455 1.00 0.00 C ATOM 888 C GLY A 59 -15.232 8.671 -0.977 1.00 0.00 C ATOM 889 O GLY A 59 -15.165 9.729 -0.350 1.00 0.00 O ATOM 0 H GLY A 59 -14.649 7.466 -3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.853 9.678 -2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.414 8.022 -2.636 1.00 0.00 H new ATOM 893 N MET A 60 -15.010 7.484 -0.419 1.00 0.00 N ATOM 894 CA MET A 60 -14.667 7.354 0.994 1.00 0.00 C ATOM 895 C MET A 60 -13.234 7.826 1.231 1.00 0.00 C ATOM 896 O MET A 60 -12.409 7.087 1.771 1.00 0.00 O ATOM 897 CB MET A 60 -14.824 5.898 1.448 1.00 0.00 C ATOM 898 CG MET A 60 -15.281 5.751 2.891 1.00 0.00 C ATOM 899 SD MET A 60 -16.501 4.439 3.104 1.00 0.00 S ATOM 900 CE MET A 60 -15.444 3.035 3.452 1.00 0.00 C ATOM 0 H MET A 60 -15.061 6.599 -0.923 1.00 0.00 H new ATOM 0 HA MET A 60 -15.345 7.977 1.577 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.542 5.400 0.797 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.871 5.384 1.324 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.417 5.544 3.522 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.706 6.695 3.231 1.00 0.00 H new ATOM 0 HE1 MET A 60 -16.036 2.235 3.897 1.00 0.00 H new ATOM 0 HE2 MET A 60 -14.993 2.680 2.525 1.00 0.00 H new ATOM 0 HE3 MET A 60 -14.659 3.334 4.146 1.00 0.00 H new ATOM 910 N ASP A 61 -12.950 9.059 0.807 1.00 0.00 N ATOM 911 CA ASP A 61 -11.622 9.649 0.945 1.00 0.00 C ATOM 912 C ASP A 61 -10.566 8.763 0.299 1.00 0.00 C ATOM 913 O ASP A 61 -10.074 9.059 -0.790 1.00 0.00 O ATOM 914 CB ASP A 61 -11.286 9.890 2.417 1.00 0.00 C ATOM 915 CG ASP A 61 -11.151 11.367 2.736 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.132 12.111 2.530 1.00 0.00 O ATOM 917 OD2 ASP A 61 -10.062 11.779 3.189 1.00 0.00 O ATOM 0 H ASP A 61 -13.632 9.672 0.361 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.626 10.610 0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.065 9.454 3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.355 9.379 2.665 1.00 0.00 H new ATOM 922 N GLY A 62 -10.227 7.678 0.975 1.00 0.00 N ATOM 923 CA GLY A 62 -9.235 6.764 0.454 1.00 0.00 C ATOM 924 C GLY A 62 -9.532 5.321 0.796 1.00 0.00 C ATOM 925 O GLY A 62 -9.219 4.420 0.020 1.00 0.00 O ATOM 0 H GLY A 62 -10.622 7.413 1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.181 6.872 -0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.256 7.033 0.851 1.00 0.00 H new ATOM 929 N LEU A 63 -10.136 5.094 1.959 1.00 0.00 N ATOM 930 CA LEU A 63 -10.463 3.741 2.372 1.00 0.00 C ATOM 931 C LEU A 63 -11.442 3.105 1.391 1.00 0.00 C ATOM 932 O LEU A 63 -11.596 1.885 1.360 1.00 0.00 O ATOM 933 CB LEU A 63 -11.012 3.695 3.803 1.00 0.00 C ATOM 934 CG LEU A 63 -10.274 4.575 4.816 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.920 5.952 4.917 1.00 0.00 C ATOM 936 CD2 LEU A 63 -10.207 3.894 6.174 1.00 0.00 C ATOM 0 H LEU A 63 -10.404 5.822 2.622 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.539 3.163 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.060 3.994 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.982 2.663 4.153 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.252 4.716 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.376 6.557 5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.890 6.440 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.956 5.845 5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.679 4.537 6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.217 3.710 6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.677 2.946 6.080 1.00 0.00 H new ATOM 948 N ALA A 64 -12.086 3.927 0.565 1.00 0.00 N ATOM 949 CA ALA A 64 -13.014 3.412 -0.432 1.00 0.00 C ATOM 950 C ALA A 64 -12.316 2.369 -1.293 1.00 0.00 C ATOM 951 O ALA A 64 -12.915 1.373 -1.705 1.00 0.00 O ATOM 952 CB ALA A 64 -13.539 4.543 -1.298 1.00 0.00 C ATOM 0 H ALA A 64 -11.982 4.942 0.568 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.858 2.947 0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.231 4.143 -2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.057 5.270 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.706 5.029 -1.806 1.00 0.00 H new ATOM 958 N LEU A 65 -11.031 2.603 -1.542 1.00 0.00 N ATOM 959 CA LEU A 65 -10.227 1.687 -2.334 1.00 0.00 C ATOM 960 C LEU A 65 -10.126 0.347 -1.624 1.00 0.00 C ATOM 961 O LEU A 65 -10.185 -0.709 -2.255 1.00 0.00 O ATOM 962 CB LEU A 65 -8.832 2.267 -2.575 1.00 0.00 C ATOM 963 CG LEU A 65 -8.814 3.714 -3.065 1.00 0.00 C ATOM 964 CD1 LEU A 65 -7.495 4.387 -2.714 1.00 0.00 C ATOM 965 CD2 LEU A 65 -9.071 3.773 -4.567 1.00 0.00 C ATOM 0 H LEU A 65 -10.526 3.422 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.708 1.543 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.263 2.206 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.317 1.644 -3.306 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.613 4.257 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.505 5.416 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.360 4.381 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.674 3.847 -3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.055 4.811 -4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.297 3.213 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.046 3.337 -4.787 1.00 0.00 H new ATOM 977 N LEU A 66 -9.996 0.395 -0.299 1.00 0.00 N ATOM 978 CA LEU A 66 -9.910 -0.819 0.503 1.00 0.00 C ATOM 979 C LEU A 66 -11.080 -1.730 0.164 1.00 0.00 C ATOM 980 O LEU A 66 -10.904 -2.922 -0.092 1.00 0.00 O ATOM 981 CB LEU A 66 -9.912 -0.483 1.998 1.00 0.00 C ATOM 982 CG LEU A 66 -8.552 -0.104 2.594 1.00 0.00 C ATOM 983 CD1 LEU A 66 -7.850 0.949 1.750 1.00 0.00 C ATOM 984 CD2 LEU A 66 -8.725 0.393 4.020 1.00 0.00 C ATOM 0 H LEU A 66 -9.948 1.261 0.239 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.975 -1.330 0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.604 0.342 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.301 -1.342 2.545 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.927 -0.997 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.889 1.195 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.690 0.562 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.467 1.846 1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.752 0.659 4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.373 1.269 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.174 -0.393 4.627 1.00 0.00 H new ATOM 996 N LYS A 67 -12.277 -1.148 0.132 1.00 0.00 N ATOM 997 CA LYS A 67 -13.479 -1.898 -0.212 1.00 0.00 C ATOM 998 C LYS A 67 -13.262 -2.643 -1.525 1.00 0.00 C ATOM 999 O LYS A 67 -13.609 -3.816 -1.657 1.00 0.00 O ATOM 1000 CB LYS A 67 -14.677 -0.956 -0.336 1.00 0.00 C ATOM 1001 CG LYS A 67 -16.017 -1.648 -0.149 1.00 0.00 C ATOM 1002 CD LYS A 67 -17.165 -0.652 -0.165 1.00 0.00 C ATOM 1003 CE LYS A 67 -17.905 -0.630 1.162 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.044 -0.134 2.272 1.00 0.00 N ATOM 0 H LYS A 67 -12.438 -0.162 0.340 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.685 -2.618 0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.582 -0.161 0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.656 -0.482 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.161 -2.384 -0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.018 -2.191 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.780 0.344 -0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.859 -0.909 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.787 0.005 1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.258 -1.634 1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.617 -0.022 3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.280 -0.817 2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.632 0.784 2.008 1.00 0.00 H new ATOM 1018 N GLN A 68 -12.659 -1.953 -2.491 1.00 0.00 N ATOM 1019 CA GLN A 68 -12.365 -2.554 -3.783 1.00 0.00 C ATOM 1020 C GLN A 68 -11.339 -3.666 -3.608 1.00 0.00 C ATOM 1021 O GLN A 68 -11.384 -4.688 -4.294 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.820 -1.508 -4.757 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.730 -0.307 -4.961 1.00 0.00 C ATOM 1024 CD GLN A 68 -14.005 -0.660 -5.701 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.608 -1.706 -5.458 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -14.424 0.213 -6.608 1.00 0.00 N ATOM 0 H GLN A 68 -12.366 -0.980 -2.401 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.289 -2.963 -4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.854 -1.159 -4.393 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.645 -1.984 -5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.984 0.121 -3.991 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.192 0.461 -5.517 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.893 1.067 -6.777 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.277 0.030 -7.136 1.00 0.00 H new ATOM 1035 N ILE A 69 -10.409 -3.449 -2.681 1.00 0.00 N ATOM 1036 CA ILE A 69 -9.359 -4.418 -2.402 1.00 0.00 C ATOM 1037 C ILE A 69 -9.940 -5.723 -1.879 1.00 0.00 C ATOM 1038 O ILE A 69 -9.540 -6.807 -2.301 1.00 0.00 O ATOM 1039 CB ILE A 69 -8.338 -3.872 -1.379 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -7.661 -2.607 -1.916 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -7.297 -4.931 -1.045 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.891 -1.838 -0.866 1.00 0.00 C ATOM 0 H ILE A 69 -10.364 -2.606 -2.109 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.846 -4.605 -3.346 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.874 -3.615 -0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.982 -2.883 -2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.420 -1.955 -2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.587 -4.528 -0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.790 -5.805 -0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.767 -5.220 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.439 -0.956 -1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.569 -1.530 -0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.109 -2.473 -0.451 1.00 0.00 H new ATOM 1054 N LYS A 70 -10.878 -5.612 -0.955 1.00 0.00 N ATOM 1055 CA LYS A 70 -11.507 -6.786 -0.368 1.00 0.00 C ATOM 1056 C LYS A 70 -12.322 -7.550 -1.404 1.00 0.00 C ATOM 1057 O LYS A 70 -12.559 -8.749 -1.261 1.00 0.00 O ATOM 1058 CB LYS A 70 -12.390 -6.400 0.819 1.00 0.00 C ATOM 1059 CG LYS A 70 -13.568 -5.520 0.450 1.00 0.00 C ATOM 1060 CD LYS A 70 -14.651 -5.570 1.516 1.00 0.00 C ATOM 1061 CE LYS A 70 -15.778 -4.595 1.216 1.00 0.00 C ATOM 1062 NZ LYS A 70 -17.085 -5.290 1.066 1.00 0.00 N ATOM 0 H LYS A 70 -11.222 -4.722 -0.594 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.711 -7.438 -0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.762 -7.308 1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.780 -5.882 1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.230 -4.492 0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.981 -5.843 -0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.052 -6.581 1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.216 -5.337 2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.847 -3.861 2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.551 -4.047 0.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.828 -4.592 0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.027 -5.973 0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.314 -5.792 1.947 1.00 0.00 H new ATOM 1076 N GLN A 71 -12.740 -6.851 -2.450 1.00 0.00 N ATOM 1077 CA GLN A 71 -13.518 -7.462 -3.512 1.00 0.00 C ATOM 1078 C GLN A 71 -12.605 -8.232 -4.461 1.00 0.00 C ATOM 1079 O GLN A 71 -13.019 -9.205 -5.092 1.00 0.00 O ATOM 1080 CB GLN A 71 -14.322 -6.372 -4.247 1.00 0.00 C ATOM 1081 CG GLN A 71 -14.554 -6.619 -5.736 1.00 0.00 C ATOM 1082 CD GLN A 71 -14.218 -5.404 -6.581 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -14.940 -5.068 -7.519 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -13.113 -4.739 -6.251 1.00 0.00 N ATOM 0 H GLN A 71 -12.551 -5.858 -2.584 1.00 0.00 H new ATOM 0 HA GLN A 71 -14.222 -8.179 -3.090 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -15.291 -6.268 -3.758 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.802 -5.421 -4.131 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.947 -7.464 -6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.596 -6.895 -5.898 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.544 -5.054 -5.465 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.835 -3.915 -6.784 1.00 0.00 H new ATOM 1093 N ARG A 72 -11.360 -7.782 -4.558 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.380 -8.416 -5.432 1.00 0.00 C ATOM 1095 C ARG A 72 -9.269 -9.093 -4.639 1.00 0.00 C ATOM 1096 O ARG A 72 -9.182 -10.319 -4.584 1.00 0.00 O ATOM 1097 CB ARG A 72 -9.777 -7.382 -6.385 1.00 0.00 C ATOM 1098 CG ARG A 72 -10.748 -6.897 -7.449 1.00 0.00 C ATOM 1099 CD ARG A 72 -10.486 -7.564 -8.790 1.00 0.00 C ATOM 1100 NE ARG A 72 -11.308 -8.760 -8.976 1.00 0.00 N ATOM 1101 CZ ARG A 72 -12.342 -8.837 -9.814 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -12.697 -7.792 -10.551 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -13.026 -9.968 -9.913 1.00 0.00 N ATOM 0 H ARG A 72 -11.004 -6.978 -4.041 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.900 -9.184 -6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.428 -6.527 -5.806 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.903 -7.815 -6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.770 -7.105 -7.132 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.661 -5.816 -7.556 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.689 -6.856 -9.593 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.432 -7.833 -8.861 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.075 -9.589 -8.429 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.177 -6.917 -10.480 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.490 -7.863 -11.189 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.761 -10.776 -9.349 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.818 -10.031 -10.553 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.416 -8.277 -4.047 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.282 -8.772 -3.267 1.00 0.00 C ATOM 1119 C HIS A 73 -7.445 -8.456 -1.777 1.00 0.00 C ATOM 1120 O HIS A 73 -6.685 -7.670 -1.213 1.00 0.00 O ATOM 1121 CB HIS A 73 -5.981 -8.161 -3.798 1.00 0.00 C ATOM 1122 CG HIS A 73 -5.966 -6.663 -3.774 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -5.081 -5.929 -3.014 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -6.738 -5.756 -4.420 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -5.310 -4.642 -3.190 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -6.310 -4.510 -4.040 1.00 0.00 N ATOM 0 H HIS A 73 -8.483 -7.260 -4.089 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.244 -9.856 -3.374 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.146 -8.534 -3.204 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.821 -8.501 -4.821 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.542 -5.974 -5.107 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.771 -3.834 -2.718 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.701 -3.625 -4.362 1.00 0.00 H new ATOM 1135 N PRO A 74 -8.447 -9.068 -1.122 1.00 0.00 N ATOM 1136 CA PRO A 74 -8.719 -8.849 0.307 1.00 0.00 C ATOM 1137 C PRO A 74 -7.583 -9.301 1.221 1.00 0.00 C ATOM 1138 O PRO A 74 -7.378 -8.729 2.291 1.00 0.00 O ATOM 1139 CB PRO A 74 -9.968 -9.701 0.576 1.00 0.00 C ATOM 1140 CG PRO A 74 -10.007 -10.696 -0.534 1.00 0.00 C ATOM 1141 CD PRO A 74 -9.402 -10.013 -1.724 1.00 0.00 C ATOM 0 HA PRO A 74 -8.842 -7.786 0.517 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.907 -10.195 1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.869 -9.087 0.587 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.447 -11.594 -0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.030 -11.008 -0.742 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -8.904 -10.722 -2.385 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.156 -9.498 -2.319 1.00 0.00 H new ATOM 1149 N MET A 75 -6.867 -10.341 0.816 1.00 0.00 N ATOM 1150 CA MET A 75 -5.779 -10.873 1.631 1.00 0.00 C ATOM 1151 C MET A 75 -4.441 -10.192 1.335 1.00 0.00 C ATOM 1152 O MET A 75 -3.516 -10.251 2.145 1.00 0.00 O ATOM 1153 CB MET A 75 -5.650 -12.382 1.417 1.00 0.00 C ATOM 1154 CG MET A 75 -6.719 -13.193 2.135 1.00 0.00 C ATOM 1155 SD MET A 75 -7.644 -14.271 1.025 1.00 0.00 S ATOM 1156 CE MET A 75 -9.007 -14.757 2.081 1.00 0.00 C ATOM 0 H MET A 75 -7.017 -10.832 -0.066 1.00 0.00 H new ATOM 0 HA MET A 75 -6.028 -10.666 2.672 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.701 -12.595 0.349 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.668 -12.707 1.760 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.250 -13.796 2.912 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.410 -12.513 2.633 1.00 0.00 H new ATOM 0 HE1 MET A 75 -9.670 -15.428 1.534 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.620 -15.268 2.962 1.00 0.00 H new ATOM 0 HE3 MET A 75 -9.562 -13.871 2.390 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.340 -9.557 0.174 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.108 -8.877 -0.227 1.00 0.00 C ATOM 1168 C LEU A 76 -2.767 -7.729 0.727 1.00 0.00 C ATOM 1169 O LEU A 76 -3.537 -6.779 0.865 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.251 -8.342 -1.654 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.028 -7.630 -2.237 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.970 -6.200 -1.736 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.745 -8.374 -1.907 1.00 0.00 C ATOM 0 H LEU A 76 -5.095 -9.497 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.294 -9.601 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.505 -9.176 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.093 -7.650 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.126 -7.616 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.096 -5.702 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.872 -5.670 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.900 -6.198 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.104 -7.842 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.627 -8.434 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.791 -9.380 -2.323 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.606 -7.802 1.406 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.173 -6.765 2.353 1.00 0.00 C ATOM 1187 C PRO A 77 -1.155 -5.364 1.741 1.00 0.00 C ATOM 1188 O PRO A 77 -0.378 -5.082 0.831 1.00 0.00 O ATOM 1189 CB PRO A 77 0.247 -7.198 2.729 1.00 0.00 C ATOM 1190 CG PRO A 77 0.266 -8.668 2.497 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.630 -8.904 1.317 1.00 0.00 C ATOM 0 HA PRO A 77 -1.856 -6.689 3.199 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.992 -6.690 2.116 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.472 -6.958 3.768 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.278 -9.020 2.297 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.091 -9.208 3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.076 -8.875 0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.117 -9.878 1.370 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.007 -4.491 2.273 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.108 -3.110 1.825 1.00 0.00 C ATOM 1201 C VAL A 78 -1.657 -2.170 2.931 1.00 0.00 C ATOM 1202 O VAL A 78 -1.935 -2.405 4.107 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.552 -2.728 1.441 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.565 -1.478 0.576 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.257 -3.880 0.740 1.00 0.00 C ATOM 0 H VAL A 78 -2.649 -4.726 3.030 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.471 -3.017 0.946 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.098 -2.513 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.593 -1.226 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.116 -0.651 1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.995 -1.660 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.273 -3.581 0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.713 -4.141 -0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.291 -4.744 1.404 1.00 0.00 H new ATOM 1215 N ILE A 79 -0.976 -1.102 2.555 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.505 -0.128 3.524 1.00 0.00 C ATOM 1217 C ILE A 79 -0.889 1.277 3.097 1.00 0.00 C ATOM 1218 O ILE A 79 -0.448 1.765 2.057 1.00 0.00 O ATOM 1219 CB ILE A 79 1.017 -0.204 3.703 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.449 -1.638 4.001 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.461 0.733 4.815 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.546 -2.134 3.089 1.00 0.00 C ATOM 0 H ILE A 79 -0.737 -0.887 1.587 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.980 -0.363 4.477 1.00 0.00 H new ATOM 0 HB ILE A 79 1.495 0.109 2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.790 -1.700 5.035 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.585 -2.297 3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.543 0.671 4.933 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.182 1.756 4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.977 0.445 5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.805 -3.159 3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.201 -2.104 2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.425 -1.498 3.197 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.729 1.919 3.894 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.184 3.263 3.571 1.00 0.00 C ATOM 1236 C ILE A 80 -1.329 4.345 4.234 1.00 0.00 C ATOM 1237 O ILE A 80 -0.822 4.165 5.342 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.667 3.445 3.944 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.493 2.279 3.394 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.193 4.762 3.403 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.293 2.045 1.911 1.00 0.00 C ATOM 0 H ILE A 80 -2.107 1.536 4.761 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.074 3.381 2.493 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.754 3.459 5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.231 1.370 3.936 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.549 2.470 3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.242 4.874 3.676 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.618 5.585 3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.097 4.774 2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.908 1.205 1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.583 2.939 1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.244 1.822 1.716 1.00 0.00 H new ATOM 1253 N MET A 81 -1.163 5.467 3.527 1.00 0.00 N ATOM 1254 CA MET A 81 -0.354 6.592 4.016 1.00 0.00 C ATOM 1255 C MET A 81 -1.110 7.439 5.045 1.00 0.00 C ATOM 1256 O MET A 81 -0.498 8.174 5.812 1.00 0.00 O ATOM 1257 CB MET A 81 0.128 7.493 2.862 1.00 0.00 C ATOM 1258 CG MET A 81 -0.564 7.259 1.527 1.00 0.00 C ATOM 1259 SD MET A 81 0.083 5.817 0.655 1.00 0.00 S ATOM 1260 CE MET A 81 1.725 6.383 0.218 1.00 0.00 C ATOM 0 H MET A 81 -1.580 5.622 2.609 1.00 0.00 H new ATOM 0 HA MET A 81 0.515 6.150 4.503 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.016 8.534 3.150 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.200 7.344 2.729 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.633 7.129 1.694 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.444 8.142 0.900 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.356 5.525 -0.014 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.665 7.035 -0.653 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.155 6.934 1.055 1.00 0.00 H new ATOM 1270 N THR A 82 -2.433 7.339 5.061 1.00 0.00 N ATOM 1271 CA THR A 82 -3.241 8.099 6.013 1.00 0.00 C ATOM 1272 C THR A 82 -4.491 7.310 6.400 1.00 0.00 C ATOM 1273 O THR A 82 -4.923 6.426 5.662 1.00 0.00 O ATOM 1274 CB THR A 82 -3.624 9.467 5.431 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.508 10.070 4.799 1.00 0.00 O ATOM 1276 CG2 THR A 82 -4.142 10.438 6.472 1.00 0.00 C ATOM 0 H THR A 82 -2.969 6.743 4.430 1.00 0.00 H new ATOM 0 HA THR A 82 -2.646 8.267 6.911 1.00 0.00 H new ATOM 0 HB THR A 82 -4.423 9.265 4.718 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.526 9.868 3.840 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.394 11.384 5.993 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.031 10.023 6.946 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.374 10.606 7.227 1.00 0.00 H new ATOM 1284 N ALA A 83 -5.071 7.626 7.553 1.00 0.00 N ATOM 1285 CA ALA A 83 -6.272 6.933 8.012 1.00 0.00 C ATOM 1286 C ALA A 83 -7.324 7.922 8.506 1.00 0.00 C ATOM 1287 O ALA A 83 -7.856 7.784 9.607 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.932 5.931 9.103 1.00 0.00 C ATOM 0 H ALA A 83 -4.733 8.352 8.184 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.689 6.392 7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.841 5.427 9.430 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.228 5.195 8.714 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.482 6.452 9.948 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.615 8.922 7.685 1.00 0.00 N ATOM 1295 CA HIS A 84 -8.603 9.935 8.034 1.00 0.00 C ATOM 1296 C HIS A 84 -9.949 9.630 7.386 1.00 0.00 C ATOM 1297 O HIS A 84 -10.113 8.605 6.725 1.00 0.00 O ATOM 1298 CB HIS A 84 -8.112 11.315 7.599 1.00 0.00 C ATOM 1299 CG HIS A 84 -7.694 11.370 6.162 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -6.748 12.254 5.685 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -8.098 10.642 5.094 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -6.589 12.068 4.387 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -7.395 11.096 4.003 1.00 0.00 N ATOM 0 H HIS A 84 -7.181 9.054 6.772 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.736 9.926 9.116 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.904 12.044 7.768 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -7.270 11.608 8.226 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.835 9.852 5.098 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -5.914 12.618 3.748 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.482 10.739 3.051 1.00 0.00 H new ATOM 1312 N SER A 85 -10.907 10.534 7.572 1.00 0.00 N ATOM 1313 CA SER A 85 -12.243 10.377 7.004 1.00 0.00 C ATOM 1314 C SER A 85 -13.022 9.273 7.710 1.00 0.00 C ATOM 1315 O SER A 85 -13.911 9.548 8.516 1.00 0.00 O ATOM 1316 CB SER A 85 -12.157 10.084 5.503 1.00 0.00 C ATOM 1317 OG SER A 85 -13.429 10.191 4.889 1.00 0.00 O ATOM 0 H SER A 85 -10.782 11.388 8.115 1.00 0.00 H new ATOM 0 HA SER A 85 -12.777 11.315 7.152 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.463 10.780 5.033 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.758 9.082 5.347 1.00 0.00 H new ATOM 0 HG SER A 85 -13.401 10.884 4.197 1.00 0.00 H new ATOM 1323 N ASP A 86 -12.692 8.021 7.401 1.00 0.00 N ATOM 1324 CA ASP A 86 -13.372 6.883 8.007 1.00 0.00 C ATOM 1325 C ASP A 86 -12.384 5.777 8.360 1.00 0.00 C ATOM 1326 O ASP A 86 -12.283 4.775 7.657 1.00 0.00 O ATOM 1327 CB ASP A 86 -14.443 6.345 7.057 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.759 7.084 7.193 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.295 7.140 8.320 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -16.253 7.610 6.174 1.00 0.00 O ATOM 0 H ASP A 86 -11.960 7.771 6.736 1.00 0.00 H new ATOM 0 HA ASP A 86 -13.846 7.222 8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.088 6.427 6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.602 5.285 7.256 1.00 0.00 H new ATOM 1335 N LEU A 87 -11.660 5.968 9.459 1.00 0.00 N ATOM 1336 CA LEU A 87 -10.674 4.992 9.918 1.00 0.00 C ATOM 1337 C LEU A 87 -11.277 3.590 10.027 1.00 0.00 C ATOM 1338 O LEU A 87 -10.559 2.592 10.008 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.100 5.433 11.272 1.00 0.00 C ATOM 1340 CG LEU A 87 -8.961 4.575 11.838 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -9.498 3.267 12.399 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -7.896 4.310 10.780 1.00 0.00 C ATOM 0 H LEU A 87 -11.738 6.794 10.052 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.872 4.947 9.181 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.741 6.457 11.174 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.912 5.448 11.999 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.496 5.131 12.652 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.673 2.675 12.795 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.209 3.478 13.198 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.998 2.709 11.607 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.101 3.700 11.209 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.344 3.783 9.937 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.481 5.257 10.436 1.00 0.00 H new ATOM 1354 N ASP A 88 -12.596 3.519 10.146 1.00 0.00 N ATOM 1355 CA ASP A 88 -13.289 2.242 10.264 1.00 0.00 C ATOM 1356 C ASP A 88 -12.844 1.243 9.194 1.00 0.00 C ATOM 1357 O ASP A 88 -12.406 0.137 9.511 1.00 0.00 O ATOM 1358 CB ASP A 88 -14.796 2.464 10.178 1.00 0.00 C ATOM 1359 CG ASP A 88 -15.195 3.323 8.995 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -15.298 2.781 7.875 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -15.404 4.538 9.190 1.00 0.00 O ATOM 0 H ASP A 88 -13.210 4.333 10.163 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.032 1.815 11.233 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.298 1.499 10.106 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.142 2.936 11.097 1.00 0.00 H new ATOM 1366 N ALA A 89 -12.971 1.630 7.928 1.00 0.00 N ATOM 1367 CA ALA A 89 -12.594 0.757 6.819 1.00 0.00 C ATOM 1368 C ALA A 89 -11.103 0.437 6.824 1.00 0.00 C ATOM 1369 O ALA A 89 -10.678 -0.580 6.276 1.00 0.00 O ATOM 1370 CB ALA A 89 -12.994 1.383 5.489 1.00 0.00 C ATOM 0 H ALA A 89 -13.331 2.541 7.644 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.132 -0.182 6.949 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.706 0.720 4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.073 1.536 5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.490 2.342 5.372 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.312 1.310 7.435 1.00 0.00 N ATOM 1377 CA ALA A 90 -8.867 1.116 7.496 1.00 0.00 C ATOM 1378 C ALA A 90 -8.500 -0.208 8.159 1.00 0.00 C ATOM 1379 O ALA A 90 -7.890 -1.078 7.536 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.200 2.269 8.235 1.00 0.00 C ATOM 0 H ALA A 90 -10.645 2.158 7.895 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.502 1.090 6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.123 2.105 8.269 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.408 3.204 7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.591 2.325 9.251 1.00 0.00 H new ATOM 1386 N VAL A 91 -8.857 -0.349 9.431 1.00 0.00 N ATOM 1387 CA VAL A 91 -8.547 -1.560 10.178 1.00 0.00 C ATOM 1388 C VAL A 91 -9.105 -2.805 9.500 1.00 0.00 C ATOM 1389 O VAL A 91 -8.463 -3.855 9.490 1.00 0.00 O ATOM 1390 CB VAL A 91 -9.082 -1.497 11.620 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -8.498 -2.631 12.450 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -8.768 -0.148 12.250 1.00 0.00 C ATOM 0 H VAL A 91 -9.360 0.360 9.965 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.459 -1.625 10.203 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.165 -1.613 11.594 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.885 -2.574 13.467 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.778 -3.587 12.008 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.412 -2.545 12.470 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.154 -0.124 13.269 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.689 0.003 12.267 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.236 0.644 11.665 1.00 0.00 H new ATOM 1402 N SER A 92 -10.302 -2.687 8.936 1.00 0.00 N ATOM 1403 CA SER A 92 -10.931 -3.817 8.262 1.00 0.00 C ATOM 1404 C SER A 92 -10.072 -4.298 7.099 1.00 0.00 C ATOM 1405 O SER A 92 -10.033 -5.492 6.799 1.00 0.00 O ATOM 1406 CB SER A 92 -12.330 -3.449 7.763 1.00 0.00 C ATOM 1407 OG SER A 92 -12.986 -2.585 8.674 1.00 0.00 O ATOM 0 H SER A 92 -10.852 -1.828 8.932 1.00 0.00 H new ATOM 0 HA SER A 92 -11.024 -4.626 8.987 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.256 -2.967 6.788 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.921 -4.355 7.627 1.00 0.00 H new ATOM 0 HG SER A 92 -13.877 -2.364 8.331 1.00 0.00 H new ATOM 1413 N ALA A 93 -9.382 -3.366 6.448 1.00 0.00 N ATOM 1414 CA ALA A 93 -8.525 -3.702 5.320 1.00 0.00 C ATOM 1415 C ALA A 93 -7.320 -4.514 5.770 1.00 0.00 C ATOM 1416 O ALA A 93 -6.986 -5.539 5.179 1.00 0.00 O ATOM 1417 CB ALA A 93 -8.085 -2.445 4.591 1.00 0.00 C ATOM 0 H ALA A 93 -9.401 -2.374 6.683 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.102 -4.316 4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.445 -2.716 3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.962 -1.913 4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.532 -1.802 5.276 1.00 0.00 H new ATOM 1423 N TYR A 94 -6.683 -4.057 6.833 1.00 0.00 N ATOM 1424 CA TYR A 94 -5.536 -4.749 7.385 1.00 0.00 C ATOM 1425 C TYR A 94 -5.996 -5.982 8.156 1.00 0.00 C ATOM 1426 O TYR A 94 -5.248 -6.945 8.322 1.00 0.00 O ATOM 1427 CB TYR A 94 -4.728 -3.775 8.229 1.00 0.00 C ATOM 1428 CG TYR A 94 -4.624 -4.158 9.661 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -3.768 -5.159 10.047 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -5.371 -3.508 10.615 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -3.652 -5.519 11.374 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -5.269 -3.848 11.947 1.00 0.00 C ATOM 1433 CZ TYR A 94 -4.404 -4.858 12.325 1.00 0.00 C ATOM 1434 OH TYR A 94 -4.294 -5.206 13.652 1.00 0.00 O ATOM 0 H TYR A 94 -6.943 -3.206 7.332 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.880 -5.110 6.593 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.724 -3.694 7.811 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.183 -2.787 8.160 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.177 -5.672 9.302 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.047 -2.720 10.317 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.979 -6.311 11.666 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.859 -3.330 12.688 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.890 -4.643 14.188 1.00 0.00 H new ATOM 1444 N GLN A 95 -7.244 -5.942 8.602 1.00 0.00 N ATOM 1445 CA GLN A 95 -7.838 -7.050 9.332 1.00 0.00 C ATOM 1446 C GLN A 95 -8.166 -8.192 8.370 1.00 0.00 C ATOM 1447 O GLN A 95 -8.083 -9.365 8.732 1.00 0.00 O ATOM 1448 CB GLN A 95 -9.098 -6.560 10.066 1.00 0.00 C ATOM 1449 CG GLN A 95 -10.132 -7.639 10.373 1.00 0.00 C ATOM 1450 CD GLN A 95 -11.531 -7.233 9.947 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -12.476 -7.300 10.734 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -11.670 -6.809 8.693 1.00 0.00 N ATOM 0 H GLN A 95 -7.868 -5.146 8.469 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.132 -7.427 10.071 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -8.795 -6.093 11.003 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -9.572 -5.786 9.463 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -9.853 -8.562 9.864 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.127 -7.850 11.442 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.859 -6.770 8.075 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.587 -6.523 8.350 1.00 0.00 H new ATOM 1461 N GLN A 96 -8.540 -7.837 7.141 1.00 0.00 N ATOM 1462 CA GLN A 96 -8.880 -8.830 6.129 1.00 0.00 C ATOM 1463 C GLN A 96 -7.634 -9.377 5.445 1.00 0.00 C ATOM 1464 O GLN A 96 -7.679 -10.437 4.820 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.818 -8.236 5.074 1.00 0.00 C ATOM 1466 CG GLN A 96 -9.254 -7.008 4.378 1.00 0.00 C ATOM 1467 CD GLN A 96 -10.283 -6.281 3.534 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -11.477 -6.570 3.604 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -9.820 -5.330 2.730 1.00 0.00 N ATOM 0 H GLN A 96 -8.614 -6.870 6.825 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.386 -9.649 6.641 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.038 -8.998 4.326 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.763 -7.972 5.548 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.857 -6.323 5.127 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.419 -7.307 3.745 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.821 -5.125 2.705 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -10.463 -4.805 2.138 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.524 -8.656 5.558 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.297 -9.107 4.935 1.00 0.00 C ATOM 1480 C GLY A 97 -4.267 -8.010 4.779 1.00 0.00 C ATOM 1481 O GLY A 97 -3.070 -8.290 4.710 1.00 0.00 O ATOM 0 H GLY A 97 -6.453 -7.774 6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.871 -9.914 5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.527 -9.522 3.954 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.715 -6.759 4.713 1.00 0.00 N ATOM 1486 CA ALA A 98 -3.783 -5.653 4.553 1.00 0.00 C ATOM 1487 C ALA A 98 -2.804 -5.599 5.724 1.00 0.00 C ATOM 1488 O ALA A 98 -3.037 -6.221 6.761 1.00 0.00 O ATOM 1489 CB ALA A 98 -4.516 -4.324 4.368 1.00 0.00 C ATOM 0 H ALA A 98 -5.698 -6.491 4.767 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.207 -5.827 3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.789 -3.520 4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.145 -4.376 3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.138 -4.127 5.241 1.00 0.00 H new ATOM 1495 N PHE A 99 -1.696 -4.886 5.551 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.686 -4.804 6.598 1.00 0.00 C ATOM 1497 C PHE A 99 -1.116 -3.899 7.751 1.00 0.00 C ATOM 1498 O PHE A 99 -1.104 -4.319 8.908 1.00 0.00 O ATOM 1499 CB PHE A 99 0.639 -4.304 6.020 1.00 0.00 C ATOM 1500 CG PHE A 99 1.772 -4.373 7.003 1.00 0.00 C ATOM 1501 CD1 PHE A 99 2.083 -5.567 7.633 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.520 -3.246 7.302 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.120 -5.635 8.544 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.558 -3.309 8.212 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.859 -4.504 8.834 1.00 0.00 C ATOM 0 H PHE A 99 -1.476 -4.362 4.704 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.560 -5.811 6.996 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.892 -4.896 5.141 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.517 -3.274 5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.509 -6.454 7.410 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.289 -2.308 6.819 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.353 -6.572 9.029 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.134 -2.423 8.437 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.670 -4.555 9.545 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.491 -2.660 7.438 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.916 -1.700 8.461 1.00 0.00 C ATOM 1517 C ASP A 100 -2.065 -0.295 7.863 1.00 0.00 C ATOM 1518 O ASP A 100 -2.237 -0.139 6.651 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.906 -1.662 9.618 1.00 0.00 C ATOM 1520 CG ASP A 100 -1.580 -1.717 10.975 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -2.756 -1.309 11.070 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -0.932 -2.168 11.943 1.00 0.00 O ATOM 0 H ASP A 100 -1.510 -2.295 6.486 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.884 -2.025 8.842 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.217 -2.501 9.523 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.311 -0.752 9.547 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.986 0.724 8.720 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.101 2.112 8.282 1.00 0.00 C ATOM 1529 C TYR A 101 -0.940 2.949 8.818 1.00 0.00 C ATOM 1530 O TYR A 101 -0.722 3.023 10.027 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.430 2.709 8.749 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.511 2.690 7.694 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.080 1.495 7.274 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -4.966 3.871 7.122 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.072 1.477 6.313 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -5.958 3.860 6.162 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.508 2.664 5.761 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.497 2.653 4.805 1.00 0.00 O ATOM 0 H TYR A 101 -1.842 0.612 9.724 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.067 2.127 7.193 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.778 2.158 9.623 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.264 3.738 9.067 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.741 0.565 7.706 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.537 4.812 7.433 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.504 0.539 5.996 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.301 4.787 5.727 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.373 3.412 4.198 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.205 3.581 7.909 1.00 0.00 N ATOM 1549 CA LEU A 102 0.930 4.420 8.282 1.00 0.00 C ATOM 1550 C LEU A 102 0.557 5.896 8.156 1.00 0.00 C ATOM 1551 O LEU A 102 -0.092 6.288 7.192 1.00 0.00 O ATOM 1552 CB LEU A 102 2.134 4.095 7.384 1.00 0.00 C ATOM 1553 CG LEU A 102 3.323 5.057 7.486 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.316 4.567 8.527 1.00 0.00 C ATOM 1555 CD2 LEU A 102 4.002 5.212 6.129 1.00 0.00 C ATOM 0 H LEU A 102 -0.375 3.528 6.905 1.00 0.00 H new ATOM 0 HA LEU A 102 1.198 4.218 9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.482 3.091 7.625 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.795 4.075 6.348 1.00 0.00 H new ATOM 0 HG LEU A 102 2.952 6.033 7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.154 5.262 8.586 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.825 4.507 9.498 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.682 3.580 8.244 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.844 5.898 6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.361 4.241 5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.287 5.608 5.408 1.00 0.00 H new ATOM 1567 N PRO A 103 0.958 6.739 9.126 1.00 0.00 N ATOM 1568 CA PRO A 103 0.651 8.175 9.094 1.00 0.00 C ATOM 1569 C PRO A 103 1.031 8.807 7.759 1.00 0.00 C ATOM 1570 O PRO A 103 1.707 8.180 6.944 1.00 0.00 O ATOM 1571 CB PRO A 103 1.501 8.746 10.231 1.00 0.00 C ATOM 1572 CG PRO A 103 1.680 7.607 11.174 1.00 0.00 C ATOM 1573 CD PRO A 103 1.739 6.367 10.322 1.00 0.00 C ATOM 0 HA PRO A 103 -0.414 8.375 9.210 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.460 9.111 9.864 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.003 9.587 10.714 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.594 7.723 11.757 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.854 7.554 11.883 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.765 6.103 10.066 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.307 5.507 10.833 1.00 0.00 H new ATOM 1581 N LYS A 104 0.586 10.045 7.530 1.00 0.00 N ATOM 1582 CA LYS A 104 0.879 10.743 6.276 1.00 0.00 C ATOM 1583 C LYS A 104 2.338 10.578 5.851 1.00 0.00 C ATOM 1584 O LYS A 104 2.606 10.322 4.677 1.00 0.00 O ATOM 1585 CB LYS A 104 0.521 12.227 6.364 1.00 0.00 C ATOM 1586 CG LYS A 104 -0.136 12.760 5.096 1.00 0.00 C ATOM 1587 CD LYS A 104 0.697 12.460 3.853 1.00 0.00 C ATOM 1588 CE LYS A 104 0.209 11.211 3.127 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.557 11.233 1.674 1.00 0.00 N ATOM 0 H LYS A 104 0.025 10.582 8.192 1.00 0.00 H new ATOM 0 HA LYS A 104 0.254 10.279 5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.151 12.383 7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.425 12.801 6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.125 12.316 4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.278 13.837 5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.657 13.313 3.175 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.741 12.329 4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.648 10.328 3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.872 11.126 3.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.298 11.427 1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.262 11.977 1.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.950 10.311 1.397 1.00 0.00 H new ATOM 1603 N PRO A 105 3.315 10.709 6.778 1.00 0.00 N ATOM 1604 CA PRO A 105 4.728 10.550 6.432 1.00 0.00 C ATOM 1605 C PRO A 105 4.934 9.292 5.601 1.00 0.00 C ATOM 1606 O PRO A 105 4.048 8.440 5.535 1.00 0.00 O ATOM 1607 CB PRO A 105 5.442 10.438 7.789 1.00 0.00 C ATOM 1608 CG PRO A 105 4.357 10.364 8.816 1.00 0.00 C ATOM 1609 CD PRO A 105 3.150 11.016 8.205 1.00 0.00 C ATOM 0 HA PRO A 105 5.110 11.377 5.833 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.076 9.552 7.825 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.087 11.299 7.963 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.146 9.329 9.084 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.653 10.876 9.732 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.222 10.607 8.604 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.131 12.090 8.390 1.00 0.00 H new ATOM 1617 N PHE A 106 6.073 9.186 4.936 1.00 0.00 N ATOM 1618 CA PHE A 106 6.319 8.036 4.087 1.00 0.00 C ATOM 1619 C PHE A 106 7.792 7.940 3.677 1.00 0.00 C ATOM 1620 O PHE A 106 8.599 7.370 4.408 1.00 0.00 O ATOM 1621 CB PHE A 106 5.398 8.128 2.863 1.00 0.00 C ATOM 1622 CG PHE A 106 5.077 6.809 2.225 1.00 0.00 C ATOM 1623 CD1 PHE A 106 4.025 6.033 2.689 1.00 0.00 C ATOM 1624 CD2 PHE A 106 5.820 6.355 1.148 1.00 0.00 C ATOM 1625 CE1 PHE A 106 3.724 4.827 2.089 1.00 0.00 C ATOM 1626 CE2 PHE A 106 5.524 5.148 0.546 1.00 0.00 C ATOM 1627 CZ PHE A 106 4.475 4.384 1.016 1.00 0.00 C ATOM 0 H PHE A 106 6.829 9.870 4.967 1.00 0.00 H new ATOM 0 HA PHE A 106 6.098 7.124 4.641 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.466 8.610 3.161 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.867 8.772 2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.436 6.376 3.527 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.640 6.951 0.775 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.903 4.230 2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 106 6.112 4.802 -0.291 1.00 0.00 H new ATOM 0 HZ PHE A 106 4.241 3.440 0.546 1.00 0.00 H new ATOM 1637 N ASP A 107 8.145 8.485 2.508 1.00 0.00 N ATOM 1638 CA ASP A 107 9.524 8.433 2.022 1.00 0.00 C ATOM 1639 C ASP A 107 10.131 7.048 2.249 1.00 0.00 C ATOM 1640 O ASP A 107 9.444 6.122 2.670 1.00 0.00 O ATOM 1641 CB ASP A 107 10.380 9.502 2.710 1.00 0.00 C ATOM 1642 CG ASP A 107 10.506 9.274 4.204 1.00 0.00 C ATOM 1643 OD1 ASP A 107 10.953 8.178 4.602 1.00 0.00 O ATOM 1644 OD2 ASP A 107 10.155 10.190 4.976 1.00 0.00 O ATOM 0 H ASP A 107 7.496 8.965 1.884 1.00 0.00 H new ATOM 0 HA ASP A 107 9.509 8.632 0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.374 9.510 2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.942 10.484 2.532 1.00 0.00 H new ATOM 1649 N ILE A 108 11.412 6.907 1.963 1.00 0.00 N ATOM 1650 CA ILE A 108 12.087 5.629 2.146 1.00 0.00 C ATOM 1651 C ILE A 108 12.195 5.261 3.613 1.00 0.00 C ATOM 1652 O ILE A 108 11.913 4.131 4.011 1.00 0.00 O ATOM 1653 CB ILE A 108 13.483 5.641 1.479 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.386 5.130 0.044 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.510 4.820 2.254 1.00 0.00 C ATOM 1656 CD1 ILE A 108 12.196 5.675 -0.712 1.00 0.00 C ATOM 0 H ILE A 108 12.006 7.655 1.605 1.00 0.00 H new ATOM 0 HA ILE A 108 11.481 4.866 1.658 1.00 0.00 H new ATOM 0 HB ILE A 108 13.827 6.675 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 108 14.298 5.396 -0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.330 4.042 0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.471 4.863 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.616 5.226 3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.177 3.784 2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.191 5.270 -1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.277 5.387 -0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.260 6.762 -0.757 1.00 0.00 H new ATOM 1668 N ASP A 109 12.624 6.215 4.407 1.00 0.00 N ATOM 1669 CA ASP A 109 12.798 5.993 5.831 1.00 0.00 C ATOM 1670 C ASP A 109 11.544 5.406 6.475 1.00 0.00 C ATOM 1671 O ASP A 109 11.610 4.366 7.122 1.00 0.00 O ATOM 1672 CB ASP A 109 13.184 7.300 6.528 1.00 0.00 C ATOM 1673 CG ASP A 109 14.666 7.601 6.418 1.00 0.00 C ATOM 1674 OD1 ASP A 109 15.207 7.523 5.294 1.00 0.00 O ATOM 1675 OD2 ASP A 109 15.286 7.914 7.455 1.00 0.00 O ATOM 0 H ASP A 109 12.861 7.156 4.093 1.00 0.00 H new ATOM 0 HA ASP A 109 13.602 5.267 5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.616 8.122 6.092 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.905 7.243 7.580 1.00 0.00 H new ATOM 1680 N GLU A 110 10.414 6.091 6.321 1.00 0.00 N ATOM 1681 CA GLU A 110 9.162 5.648 6.919 1.00 0.00 C ATOM 1682 C GLU A 110 8.483 4.535 6.125 1.00 0.00 C ATOM 1683 O GLU A 110 7.762 3.718 6.699 1.00 0.00 O ATOM 1684 CB GLU A 110 8.204 6.833 7.091 1.00 0.00 C ATOM 1685 CG GLU A 110 8.827 8.016 7.814 1.00 0.00 C ATOM 1686 CD GLU A 110 8.478 8.048 9.288 1.00 0.00 C ATOM 1687 OE1 GLU A 110 9.149 7.344 10.072 1.00 0.00 O ATOM 1688 OE2 GLU A 110 7.536 8.777 9.659 1.00 0.00 O ATOM 0 H GLU A 110 10.342 6.956 5.786 1.00 0.00 H new ATOM 0 HA GLU A 110 9.412 5.233 7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.860 7.158 6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.325 6.502 7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.910 7.976 7.702 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.492 8.941 7.345 1.00 0.00 H new ATOM 1695 N ALA A 111 8.703 4.490 4.816 1.00 0.00 N ATOM 1696 CA ALA A 111 8.084 3.455 4.001 1.00 0.00 C ATOM 1697 C ALA A 111 8.905 2.176 4.028 1.00 0.00 C ATOM 1698 O ALA A 111 8.389 1.107 4.352 1.00 0.00 O ATOM 1699 CB ALA A 111 7.872 3.932 2.575 1.00 0.00 C ATOM 0 H ALA A 111 9.294 5.146 4.305 1.00 0.00 H new ATOM 0 HA ALA A 111 7.106 3.237 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.408 3.137 1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.223 4.807 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.833 4.194 2.132 1.00 0.00 H new ATOM 1705 N VAL A 112 10.190 2.286 3.702 1.00 0.00 N ATOM 1706 CA VAL A 112 11.059 1.121 3.716 1.00 0.00 C ATOM 1707 C VAL A 112 11.079 0.498 5.100 1.00 0.00 C ATOM 1708 O VAL A 112 11.201 -0.717 5.255 1.00 0.00 O ATOM 1709 CB VAL A 112 12.495 1.456 3.295 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.325 0.183 3.230 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.497 2.180 1.960 1.00 0.00 C ATOM 0 H VAL A 112 10.644 3.158 3.429 1.00 0.00 H new ATOM 0 HA VAL A 112 10.652 0.416 2.991 1.00 0.00 H new ATOM 0 HB VAL A 112 12.941 2.119 4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.344 0.428 2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.340 -0.292 4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.887 -0.500 2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.523 2.412 1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.043 1.544 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.927 3.105 2.047 1.00 0.00 H new ATOM 1721 N ALA A 113 10.935 1.343 6.104 1.00 0.00 N ATOM 1722 CA ALA A 113 10.904 0.886 7.478 1.00 0.00 C ATOM 1723 C ALA A 113 9.743 -0.071 7.666 1.00 0.00 C ATOM 1724 O ALA A 113 9.905 -1.188 8.152 1.00 0.00 O ATOM 1725 CB ALA A 113 10.744 2.071 8.414 1.00 0.00 C ATOM 0 H ALA A 113 10.838 2.352 5.992 1.00 0.00 H new ATOM 0 HA ALA A 113 11.839 0.375 7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.721 1.719 9.446 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.582 2.755 8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.813 2.591 8.187 1.00 0.00 H new ATOM 1731 N LEU A 114 8.568 0.409 7.278 1.00 0.00 N ATOM 1732 CA LEU A 114 7.334 -0.345 7.392 1.00 0.00 C ATOM 1733 C LEU A 114 7.205 -1.448 6.339 1.00 0.00 C ATOM 1734 O LEU A 114 6.418 -2.377 6.513 1.00 0.00 O ATOM 1735 CB LEU A 114 6.147 0.609 7.284 1.00 0.00 C ATOM 1736 CG LEU A 114 4.784 -0.020 7.557 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.478 -0.011 9.047 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.705 0.714 6.784 1.00 0.00 C ATOM 0 H LEU A 114 8.448 1.338 6.874 1.00 0.00 H new ATOM 0 HA LEU A 114 7.347 -0.837 8.364 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.297 1.431 7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.137 1.040 6.283 1.00 0.00 H new ATOM 0 HG LEU A 114 4.806 -1.057 7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.502 -0.464 9.221 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.241 -0.579 9.579 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.471 1.016 9.411 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.737 0.256 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.684 1.759 7.092 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.918 0.655 5.717 1.00 0.00 H new ATOM 1750 N VAL A 115 7.947 -1.345 5.240 1.00 0.00 N ATOM 1751 CA VAL A 115 7.849 -2.351 4.184 1.00 0.00 C ATOM 1752 C VAL A 115 8.634 -3.620 4.514 1.00 0.00 C ATOM 1753 O VAL A 115 8.108 -4.729 4.404 1.00 0.00 O ATOM 1754 CB VAL A 115 8.302 -1.811 2.805 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.816 -1.713 2.716 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.767 -2.694 1.685 1.00 0.00 C ATOM 0 H VAL A 115 8.610 -0.592 5.058 1.00 0.00 H new ATOM 0 HA VAL A 115 6.790 -2.602 4.126 1.00 0.00 H new ATOM 0 HB VAL A 115 7.892 -0.807 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.099 -1.331 1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.183 -1.037 3.489 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.254 -2.701 2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.095 -2.300 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.145 -3.709 1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.678 -2.706 1.720 1.00 0.00 H new ATOM 1766 N GLU A 116 9.891 -3.460 4.909 1.00 0.00 N ATOM 1767 CA GLU A 116 10.730 -4.603 5.235 1.00 0.00 C ATOM 1768 C GLU A 116 10.246 -5.289 6.508 1.00 0.00 C ATOM 1769 O GLU A 116 10.253 -6.518 6.596 1.00 0.00 O ATOM 1770 CB GLU A 116 12.191 -4.167 5.377 1.00 0.00 C ATOM 1771 CG GLU A 116 12.825 -3.737 4.060 1.00 0.00 C ATOM 1772 CD GLU A 116 14.328 -3.934 4.045 1.00 0.00 C ATOM 1773 OE1 GLU A 116 14.799 -4.959 4.581 1.00 0.00 O ATOM 1774 OE2 GLU A 116 15.035 -3.062 3.495 1.00 0.00 O ATOM 0 H GLU A 116 10.349 -2.554 5.011 1.00 0.00 H new ATOM 0 HA GLU A 116 10.660 -5.323 4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.249 -3.341 6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.769 -4.990 5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.380 -4.306 3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.598 -2.687 3.878 1.00 0.00 H new ATOM 1781 N ARG A 117 9.815 -4.500 7.489 1.00 0.00 N ATOM 1782 CA ARG A 117 9.320 -5.055 8.742 1.00 0.00 C ATOM 1783 C ARG A 117 8.030 -5.836 8.512 1.00 0.00 C ATOM 1784 O ARG A 117 7.699 -6.751 9.265 1.00 0.00 O ATOM 1785 CB ARG A 117 9.088 -3.948 9.778 1.00 0.00 C ATOM 1786 CG ARG A 117 7.935 -3.013 9.435 1.00 0.00 C ATOM 1787 CD ARG A 117 7.134 -2.631 10.671 1.00 0.00 C ATOM 1788 NE ARG A 117 7.974 -2.042 11.712 1.00 0.00 N ATOM 1789 CZ ARG A 117 8.240 -0.740 11.813 1.00 0.00 C ATOM 1790 NH1 ARG A 117 7.740 0.120 10.936 1.00 0.00 N ATOM 1791 NH2 ARG A 117 9.010 -0.297 12.798 1.00 0.00 N ATOM 0 H ARG A 117 9.799 -3.481 7.440 1.00 0.00 H new ATOM 0 HA ARG A 117 10.078 -5.736 9.129 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.895 -4.406 10.748 1.00 0.00 H new ATOM 0 HB3 ARG A 117 10.001 -3.361 9.879 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.325 -2.112 8.962 1.00 0.00 H new ATOM 0 HG3 ARG A 117 7.279 -3.495 8.711 1.00 0.00 H new ATOM 0 HD2 ARG A 117 6.354 -1.923 10.392 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.635 -3.516 11.066 1.00 0.00 H new ATOM 0 HE ARG A 117 8.383 -2.668 12.406 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.146 -0.213 10.176 1.00 0.00 H new ATOM 0 HH12 ARG A 117 7.949 1.115 11.021 1.00 0.00 H new ATOM 0 HH21 ARG A 117 9.398 -0.953 13.477 1.00 0.00 H new ATOM 0 HH22 ARG A 117 9.215 0.699 12.877 1.00 0.00 H new ATOM 1805 N ALA A 118 7.309 -5.464 7.461 1.00 0.00 N ATOM 1806 CA ALA A 118 6.057 -6.121 7.121 1.00 0.00 C ATOM 1807 C ALA A 118 6.305 -7.521 6.577 1.00 0.00 C ATOM 1808 O ALA A 118 5.715 -8.493 7.047 1.00 0.00 O ATOM 1809 CB ALA A 118 5.281 -5.289 6.111 1.00 0.00 C ATOM 0 H ALA A 118 7.573 -4.708 6.829 1.00 0.00 H new ATOM 0 HA ALA A 118 5.463 -6.212 8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.346 -5.793 5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.064 -4.309 6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.876 -5.168 5.206 1.00 0.00 H new ATOM 1815 N ILE A 119 7.187 -7.619 5.586 1.00 0.00 N ATOM 1816 CA ILE A 119 7.517 -8.903 4.985 1.00 0.00 C ATOM 1817 C ILE A 119 8.201 -9.812 5.995 1.00 0.00 C ATOM 1818 O ILE A 119 8.058 -11.035 5.951 1.00 0.00 O ATOM 1819 CB ILE A 119 8.436 -8.727 3.762 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.860 -7.683 2.806 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.631 -10.052 3.042 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.917 -6.815 2.166 1.00 0.00 C ATOM 0 H ILE A 119 7.684 -6.824 5.184 1.00 0.00 H new ATOM 0 HA ILE A 119 6.581 -9.359 4.662 1.00 0.00 H new ATOM 0 HB ILE A 119 9.408 -8.379 4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.293 -8.189 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.159 -7.050 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.283 -9.906 2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.084 -10.773 3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.665 -10.429 2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.442 -6.095 1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.469 -6.283 2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.604 -7.440 1.595 1.00 0.00 H new ATOM 1834 N SER A 120 8.941 -9.201 6.908 1.00 0.00 N ATOM 1835 CA SER A 120 9.654 -9.937 7.940 1.00 0.00 C ATOM 1836 C SER A 120 8.682 -10.504 8.968 1.00 0.00 C ATOM 1837 O SER A 120 8.816 -11.651 9.398 1.00 0.00 O ATOM 1838 CB SER A 120 10.675 -9.029 8.633 1.00 0.00 C ATOM 1839 OG SER A 120 11.889 -8.963 7.902 1.00 0.00 O ATOM 0 H SER A 120 9.063 -8.189 6.954 1.00 0.00 H new ATOM 0 HA SER A 120 10.180 -10.765 7.465 1.00 0.00 H new ATOM 0 HB2 SER A 120 10.259 -8.027 8.741 1.00 0.00 H new ATOM 0 HB3 SER A 120 10.873 -9.402 9.638 1.00 0.00 H new ATOM 0 HG SER A 120 12.520 -8.375 8.368 1.00 0.00 H new ATOM 1845 N HIS A 121 7.702 -9.695 9.357 1.00 0.00 N ATOM 1846 CA HIS A 121 6.705 -10.117 10.332 1.00 0.00 C ATOM 1847 C HIS A 121 5.809 -11.205 9.753 1.00 0.00 C ATOM 1848 O HIS A 121 5.313 -12.068 10.475 1.00 0.00 O ATOM 1849 CB HIS A 121 5.860 -8.922 10.780 1.00 0.00 C ATOM 1850 CG HIS A 121 6.529 -8.075 11.817 1.00 0.00 C ATOM 1851 ND1 HIS A 121 7.897 -7.906 11.884 1.00 0.00 N ATOM 1852 CD2 HIS A 121 6.012 -7.344 12.833 1.00 0.00 C ATOM 1853 CE1 HIS A 121 8.191 -7.110 12.896 1.00 0.00 C ATOM 1854 NE2 HIS A 121 7.066 -6.754 13.488 1.00 0.00 N ATOM 0 H HIS A 121 7.578 -8.743 9.011 1.00 0.00 H new ATOM 0 HA HIS A 121 7.227 -10.525 11.198 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.628 -8.305 9.912 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.911 -9.285 11.175 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.966 -7.243 13.082 1.00 0.00 H new ATOM 0 HE1 HIS A 121 9.184 -6.802 13.190 1.00 0.00 H new ATOM 0 HE2 HIS A 121 6.991 -6.141 14.300 1.00 0.00 H new ATOM 1863 N TYR A 122 5.615 -11.154 8.443 1.00 0.00 N ATOM 1864 CA TYR A 122 4.789 -12.132 7.753 1.00 0.00 C ATOM 1865 C TYR A 122 5.517 -13.466 7.645 1.00 0.00 C ATOM 1866 O TYR A 122 4.955 -14.520 7.944 1.00 0.00 O ATOM 1867 CB TYR A 122 4.416 -11.625 6.358 1.00 0.00 C ATOM 1868 CG TYR A 122 3.196 -10.732 6.345 1.00 0.00 C ATOM 1869 CD1 TYR A 122 2.003 -11.145 6.922 1.00 0.00 C ATOM 1870 CD2 TYR A 122 3.239 -9.476 5.754 1.00 0.00 C ATOM 1871 CE1 TYR A 122 0.886 -10.332 6.911 1.00 0.00 C ATOM 1872 CE2 TYR A 122 2.127 -8.656 5.739 1.00 0.00 C ATOM 1873 CZ TYR A 122 0.953 -9.089 6.318 1.00 0.00 C ATOM 1874 OH TYR A 122 -0.155 -8.276 6.306 1.00 0.00 O ATOM 0 H TYR A 122 6.021 -10.442 7.835 1.00 0.00 H new ATOM 0 HA TYR A 122 3.876 -12.278 8.331 1.00 0.00 H new ATOM 0 HB2 TYR A 122 5.261 -11.077 5.942 1.00 0.00 H new ATOM 0 HB3 TYR A 122 4.237 -12.480 5.706 1.00 0.00 H new ATOM 0 HD1 TYR A 122 1.947 -12.118 7.387 1.00 0.00 H new ATOM 0 HD2 TYR A 122 4.157 -9.135 5.299 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -0.035 -10.668 7.364 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.177 -7.681 5.276 1.00 0.00 H new ATOM 0 HH TYR A 122 -0.703 -8.458 7.098 1.00 0.00 H new ATOM 1884 N GLN A 123 6.774 -13.411 7.216 1.00 0.00 N ATOM 1885 CA GLN A 123 7.585 -14.607 7.068 1.00 0.00 C ATOM 1886 C GLN A 123 8.075 -15.103 8.425 1.00 0.00 C ATOM 1887 O GLN A 123 8.111 -14.349 9.398 1.00 0.00 O ATOM 1888 CB GLN A 123 8.777 -14.329 6.151 1.00 0.00 C ATOM 1889 CG GLN A 123 8.583 -14.841 4.734 1.00 0.00 C ATOM 1890 CD GLN A 123 9.617 -14.292 3.770 1.00 0.00 C ATOM 1891 OE1 GLN A 123 10.480 -13.502 4.151 1.00 0.00 O ATOM 1892 NE2 GLN A 123 9.534 -14.710 2.513 1.00 0.00 N ATOM 0 H GLN A 123 7.252 -12.545 6.965 1.00 0.00 H new ATOM 0 HA GLN A 123 6.965 -15.384 6.620 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.958 -13.255 6.119 1.00 0.00 H new ATOM 0 HB3 GLN A 123 9.668 -14.790 6.577 1.00 0.00 H new ATOM 0 HG2 GLN A 123 8.634 -15.930 4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.586 -14.569 4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 123 8.802 -15.366 2.241 1.00 0.00 H new ATOM 0 HE22 GLN A 123 10.202 -14.375 1.819 1.00 0.00 H new ATOM 1901 N GLU A 124 8.448 -16.376 8.483 1.00 0.00 N ATOM 1902 CA GLU A 124 8.934 -16.975 9.720 1.00 0.00 C ATOM 1903 C GLU A 124 10.151 -17.857 9.457 1.00 0.00 C ATOM 1904 O GLU A 124 10.117 -18.736 8.595 1.00 0.00 O ATOM 1905 CB GLU A 124 7.827 -17.797 10.383 1.00 0.00 C ATOM 1906 CG GLU A 124 6.542 -17.018 10.614 1.00 0.00 C ATOM 1907 CD GLU A 124 6.248 -16.798 12.085 1.00 0.00 C ATOM 1908 OE1 GLU A 124 5.611 -17.677 12.701 1.00 0.00 O ATOM 1909 OE2 GLU A 124 6.655 -15.745 12.621 1.00 0.00 O ATOM 0 H GLU A 124 8.423 -17.014 7.687 1.00 0.00 H new ATOM 0 HA GLU A 124 9.231 -16.170 10.392 1.00 0.00 H new ATOM 0 HB2 GLU A 124 7.608 -18.665 9.760 1.00 0.00 H new ATOM 0 HB3 GLU A 124 8.190 -18.174 11.339 1.00 0.00 H new ATOM 0 HG2 GLU A 124 6.612 -16.052 10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 124 5.710 -17.554 10.157 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -2.399 10.024 0.449 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -3.796 10.473 0.218 1.00 0.00 F HETATM 1919 F2 BEF A 125 -1.467 11.138 0.142 1.00 0.00 F HETATM 1920 F3 BEF A 125 -2.231 9.619 1.869 1.00 0.00 F