USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 GLN : amide:sc= -0.237 X(o=-1.7,f=-1.7) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= -1.42 F(o=-3.2!,f=-1.7) USER MOD Single : A 1 MET CE :methyl 154:sc= -0.967 (180deg=-2.58) USER MOD Single : A 1 MET N :NH3+ -118:sc= -0.324 (180deg=-0.591) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 150:sc= -0.98 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 85:sc= -1.28! USER MOD Single : A 35 ASN : amide:sc= -0.245 K(o=-0.25,f=-1.1) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.425 F(o=-1.4,f=-0.43) USER MOD Single : A 45 SER OG : rot -3:sc= 1.1 USER MOD Single : A 46 LYS NZ :NH3+ -130:sc= -0.381 (180deg=-1.04) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 169:sc= -1.95! USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -26! C(o=-26!,f=-27!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -165:sc= -0.063 (180deg=-0.392) USER MOD Single : A 82 THR OG1 : rot -29:sc= -1.05! USER MOD Single : A 84 HIS : no HE2:sc= -1.36 X(o=-1.4,f=-1.6) USER MOD Single : A 85 SER OG : rot 125:sc= -1.88 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= -1.42 F(o=-2.1,f=-1.4) USER MOD Single : A 96 GLN :FLIP amide:sc= -7.71! C(o=-8.8!,f=-7.7!) USER MOD Single : A 101 TYR OH : rot 30:sc= -0.117 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.31) USER MOD Single : A 122 TYR OH : rot 130:sc= -0.465 USER MOD Single : A 123 GLN :FLIP amide:sc= -0.575 F(o=-1.2,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.858 -16.627 6.534 1.00 0.00 N ATOM 2 CA MET A 1 13.491 -15.356 6.089 1.00 0.00 C ATOM 3 C MET A 1 12.680 -14.693 4.978 1.00 0.00 C ATOM 4 O MET A 1 12.189 -13.575 5.138 1.00 0.00 O ATOM 5 CB MET A 1 14.906 -15.661 5.595 1.00 0.00 C ATOM 6 CG MET A 1 15.822 -16.228 6.668 1.00 0.00 C ATOM 7 SD MET A 1 15.904 -15.184 8.137 1.00 0.00 S ATOM 8 CE MET A 1 14.624 -15.918 9.152 1.00 0.00 C ATOM 0 H1 MET A 1 12.592 -16.550 7.536 1.00 0.00 H new ATOM 0 H2 MET A 1 12.008 -16.810 5.963 1.00 0.00 H new ATOM 0 H3 MET A 1 13.531 -17.411 6.414 1.00 0.00 H new ATOM 0 HA MET A 1 13.526 -14.663 6.930 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.847 -16.370 4.769 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.348 -14.746 5.200 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.472 -17.220 6.952 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.824 -16.349 6.257 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.839 -15.728 10.203 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.660 -15.480 8.894 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.593 -16.993 8.977 1.00 0.00 H new ATOM 20 N GLN A 2 12.544 -15.392 3.856 1.00 0.00 N ATOM 21 CA GLN A 2 11.791 -14.873 2.719 1.00 0.00 C ATOM 22 C GLN A 2 12.430 -13.601 2.167 1.00 0.00 C ATOM 23 O GLN A 2 13.105 -12.866 2.888 1.00 0.00 O ATOM 24 CB GLN A 2 10.342 -14.599 3.125 1.00 0.00 C ATOM 25 CG GLN A 2 9.335 -15.502 2.434 1.00 0.00 C ATOM 26 CD GLN A 2 9.323 -16.903 3.013 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.843 -17.842 2.408 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.731 -17.051 4.192 1.00 0.00 N ATOM 0 H GLN A 2 12.945 -16.318 3.709 1.00 0.00 H new ATOM 0 HA GLN A 2 11.806 -15.628 1.933 1.00 0.00 H new ATOM 0 HB2 GLN A 2 10.247 -14.721 4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.101 -13.560 2.899 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.340 -15.067 2.523 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.567 -15.553 1.370 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.313 -16.245 4.658 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.694 -17.970 4.632 1.00 0.00 H new ATOM 37 N ARG A 3 12.218 -13.357 0.878 1.00 0.00 N ATOM 38 CA ARG A 3 12.774 -12.184 0.212 1.00 0.00 C ATOM 39 C ARG A 3 12.106 -10.897 0.680 1.00 0.00 C ATOM 40 O ARG A 3 12.760 -9.999 1.211 1.00 0.00 O ATOM 41 CB ARG A 3 12.638 -12.321 -1.307 1.00 0.00 C ATOM 42 CG ARG A 3 11.243 -12.705 -1.770 1.00 0.00 C ATOM 43 CD ARG A 3 11.285 -13.556 -3.028 1.00 0.00 C ATOM 44 NE ARG A 3 9.972 -14.101 -3.357 1.00 0.00 N ATOM 45 CZ ARG A 3 9.346 -15.020 -2.627 1.00 0.00 C ATOM 46 NH1 ARG A 3 9.928 -15.531 -1.548 1.00 0.00 N ATOM 47 NH2 ARG A 3 8.139 -15.438 -2.980 1.00 0.00 N ATOM 0 H ARG A 3 11.662 -13.959 0.271 1.00 0.00 H new ATOM 0 HA ARG A 3 13.830 -12.127 0.477 1.00 0.00 H new ATOM 0 HB2 ARG A 3 12.917 -11.376 -1.773 1.00 0.00 H new ATOM 0 HB3 ARG A 3 13.346 -13.071 -1.659 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.734 -13.252 -0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.661 -11.803 -1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 3 11.648 -12.955 -3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 3 11.994 -14.373 -2.891 1.00 0.00 H new ATOM 0 HE ARG A 3 9.506 -13.757 -4.197 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.860 -15.219 -1.275 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.443 -16.235 -0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.690 -15.055 -3.812 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.659 -16.143 -2.420 1.00 0.00 H new ATOM 61 N GLY A 4 10.807 -10.811 0.463 1.00 0.00 N ATOM 62 CA GLY A 4 10.063 -9.629 0.850 1.00 0.00 C ATOM 63 C GLY A 4 9.837 -8.696 -0.321 1.00 0.00 C ATOM 64 O GLY A 4 10.743 -7.972 -0.731 1.00 0.00 O ATOM 0 H GLY A 4 10.248 -11.542 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.101 -9.926 1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.603 -9.101 1.636 1.00 0.00 H new ATOM 68 N ILE A 5 8.629 -8.723 -0.871 1.00 0.00 N ATOM 69 CA ILE A 5 8.291 -7.882 -2.012 1.00 0.00 C ATOM 70 C ILE A 5 7.294 -6.799 -1.626 1.00 0.00 C ATOM 71 O ILE A 5 6.139 -7.086 -1.314 1.00 0.00 O ATOM 72 CB ILE A 5 7.698 -8.714 -3.166 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.477 -10.018 -3.342 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.697 -7.910 -4.460 1.00 0.00 C ATOM 75 CD1 ILE A 5 9.973 -9.817 -3.439 1.00 0.00 C ATOM 0 H ILE A 5 7.867 -9.318 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 5 9.219 -7.416 -2.343 1.00 0.00 H new ATOM 0 HB ILE A 5 6.666 -8.962 -2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.260 -10.678 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.127 -10.523 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.275 -8.514 -5.263 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.096 -7.010 -4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.719 -7.630 -4.715 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.463 -10.783 -3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.200 -9.183 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.336 -9.340 -2.528 1.00 0.00 H new ATOM 87 N VAL A 6 7.744 -5.551 -1.660 1.00 0.00 N ATOM 88 CA VAL A 6 6.884 -4.427 -1.324 1.00 0.00 C ATOM 89 C VAL A 6 6.542 -3.615 -2.569 1.00 0.00 C ATOM 90 O VAL A 6 7.428 -3.145 -3.277 1.00 0.00 O ATOM 91 CB VAL A 6 7.530 -3.501 -0.271 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.885 -3.003 -0.747 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.603 -2.335 0.052 1.00 0.00 C ATOM 0 H VAL A 6 8.697 -5.294 -1.916 1.00 0.00 H new ATOM 0 HA VAL A 6 5.971 -4.845 -0.900 1.00 0.00 H new ATOM 0 HB VAL A 6 7.688 -4.075 0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.321 -2.353 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.545 -3.853 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.762 -2.446 -1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.073 -1.692 0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.411 -1.761 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.661 -2.717 0.446 1.00 0.00 H new ATOM 103 N TRP A 7 5.251 -3.460 -2.833 1.00 0.00 N ATOM 104 CA TRP A 7 4.795 -2.708 -3.997 1.00 0.00 C ATOM 105 C TRP A 7 4.068 -1.438 -3.567 1.00 0.00 C ATOM 106 O TRP A 7 3.231 -1.467 -2.665 1.00 0.00 O ATOM 107 CB TRP A 7 3.886 -3.587 -4.858 1.00 0.00 C ATOM 108 CG TRP A 7 4.639 -4.617 -5.648 1.00 0.00 C ATOM 109 CD1 TRP A 7 5.969 -4.914 -5.552 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.107 -5.487 -6.653 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.301 -5.898 -6.448 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.174 -6.274 -7.132 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.835 -5.678 -7.197 1.00 0.00 C ATOM 114 CZ2 TRP A 7 5.003 -7.231 -8.129 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.667 -6.628 -8.186 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.746 -7.394 -8.642 1.00 0.00 C ATOM 0 H TRP A 7 4.501 -3.844 -2.258 1.00 0.00 H new ATOM 0 HA TRP A 7 5.662 -2.414 -4.588 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.162 -4.088 -4.216 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.321 -2.954 -5.543 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.660 -4.442 -4.869 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.234 -6.287 -6.583 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.996 -5.093 -6.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 5.833 -7.823 -8.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.687 -6.782 -8.614 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.582 -8.130 -9.416 1.00 0.00 H new ATOM 127 N VAL A 8 4.404 -0.318 -4.203 1.00 0.00 N ATOM 128 CA VAL A 8 3.790 0.964 -3.865 1.00 0.00 C ATOM 129 C VAL A 8 3.050 1.570 -5.048 1.00 0.00 C ATOM 130 O VAL A 8 3.469 1.434 -6.191 1.00 0.00 O ATOM 131 CB VAL A 8 4.839 1.988 -3.385 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.232 2.911 -2.344 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.078 1.292 -2.838 1.00 0.00 C ATOM 0 H VAL A 8 5.095 -0.272 -4.952 1.00 0.00 H new ATOM 0 HA VAL A 8 3.084 0.751 -3.062 1.00 0.00 H new ATOM 0 HB VAL A 8 5.150 2.586 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.982 3.629 -2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.386 3.444 -2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.891 2.324 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.799 2.040 -2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.798 0.660 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.525 0.677 -3.619 1.00 0.00 H new ATOM 143 N VAL A 9 1.953 2.260 -4.766 1.00 0.00 N ATOM 144 CA VAL A 9 1.176 2.903 -5.818 1.00 0.00 C ATOM 145 C VAL A 9 1.020 4.396 -5.547 1.00 0.00 C ATOM 146 O VAL A 9 0.328 4.804 -4.614 1.00 0.00 O ATOM 147 CB VAL A 9 -0.220 2.260 -5.999 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.368 1.738 -7.423 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.444 1.139 -4.995 1.00 0.00 C ATOM 0 H VAL A 9 1.583 2.389 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 9 1.733 2.759 -6.744 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.976 3.024 -5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.353 1.286 -7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.258 2.563 -8.126 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.401 0.990 -7.618 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.433 0.707 -5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.314 0.368 -5.135 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.374 1.538 -3.983 1.00 0.00 H new ATOM 159 N ASP A 10 1.679 5.206 -6.372 1.00 0.00 N ATOM 160 CA ASP A 10 1.631 6.657 -6.228 1.00 0.00 C ATOM 161 C ASP A 10 2.062 7.345 -7.523 1.00 0.00 C ATOM 162 O ASP A 10 2.088 6.726 -8.584 1.00 0.00 O ATOM 163 CB ASP A 10 2.527 7.098 -5.067 1.00 0.00 C ATOM 164 CG ASP A 10 1.989 8.322 -4.348 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.361 9.172 -5.015 1.00 0.00 O ATOM 166 OD2 ASP A 10 2.198 8.429 -3.122 1.00 0.00 O ATOM 0 H ASP A 10 2.254 4.880 -7.149 1.00 0.00 H new ATOM 0 HA ASP A 10 0.603 6.950 -6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.625 6.277 -4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.526 7.313 -5.445 1.00 0.00 H new ATOM 171 N ASP A 11 2.389 8.631 -7.433 1.00 0.00 N ATOM 172 CA ASP A 11 2.792 9.406 -8.604 1.00 0.00 C ATOM 173 C ASP A 11 4.125 8.930 -9.183 1.00 0.00 C ATOM 174 O ASP A 11 4.579 9.452 -10.202 1.00 0.00 O ATOM 175 CB ASP A 11 2.900 10.888 -8.242 1.00 0.00 C ATOM 176 CG ASP A 11 1.626 11.435 -7.631 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.619 11.553 -8.362 1.00 0.00 O ATOM 178 OD2 ASP A 11 1.635 11.753 -6.423 1.00 0.00 O ATOM 0 H ASP A 11 2.383 9.160 -6.561 1.00 0.00 H new ATOM 0 HA ASP A 11 2.024 9.259 -9.364 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.723 11.028 -7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.143 11.460 -9.138 1.00 0.00 H new ATOM 183 N ASP A 12 4.744 7.936 -8.554 1.00 0.00 N ATOM 184 CA ASP A 12 6.012 7.410 -9.045 1.00 0.00 C ATOM 185 C ASP A 12 7.111 8.473 -8.947 1.00 0.00 C ATOM 186 O ASP A 12 7.137 9.244 -7.990 1.00 0.00 O ATOM 187 CB ASP A 12 5.838 6.931 -10.493 1.00 0.00 C ATOM 188 CG ASP A 12 6.721 5.743 -10.821 1.00 0.00 C ATOM 189 OD1 ASP A 12 7.906 5.958 -11.147 1.00 0.00 O ATOM 190 OD2 ASP A 12 6.224 4.600 -10.754 1.00 0.00 O ATOM 0 H ASP A 12 4.392 7.482 -7.711 1.00 0.00 H new ATOM 0 HA ASP A 12 6.315 6.564 -8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.795 6.662 -10.661 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.069 7.750 -11.174 1.00 0.00 H new ATOM 195 N SER A 13 7.997 8.519 -9.948 1.00 0.00 N ATOM 196 CA SER A 13 9.085 9.487 -10.004 1.00 0.00 C ATOM 197 C SER A 13 9.673 9.826 -8.633 1.00 0.00 C ATOM 198 O SER A 13 10.709 9.289 -8.238 1.00 0.00 O ATOM 199 CB SER A 13 8.594 10.744 -10.713 1.00 0.00 C ATOM 200 OG SER A 13 9.653 11.395 -11.397 1.00 0.00 O ATOM 0 H SER A 13 7.975 7.881 -10.743 1.00 0.00 H new ATOM 0 HA SER A 13 9.901 9.031 -10.564 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.808 10.482 -11.421 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.154 11.426 -9.986 1.00 0.00 H new ATOM 0 HG SER A 13 9.310 12.197 -11.844 1.00 0.00 H new ATOM 206 N SER A 14 9.018 10.731 -7.927 1.00 0.00 N ATOM 207 CA SER A 14 9.478 11.171 -6.617 1.00 0.00 C ATOM 208 C SER A 14 9.106 10.191 -5.506 1.00 0.00 C ATOM 209 O SER A 14 9.921 9.894 -4.633 1.00 0.00 O ATOM 210 CB SER A 14 8.899 12.549 -6.303 1.00 0.00 C ATOM 211 OG SER A 14 9.760 13.579 -6.757 1.00 0.00 O ATOM 0 H SER A 14 8.158 11.180 -8.241 1.00 0.00 H new ATOM 0 HA SER A 14 10.566 11.219 -6.656 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.922 12.653 -6.775 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.746 12.646 -5.228 1.00 0.00 H new ATOM 0 HG SER A 14 9.366 14.451 -6.546 1.00 0.00 H new ATOM 217 N ILE A 15 7.870 9.710 -5.527 1.00 0.00 N ATOM 218 CA ILE A 15 7.405 8.789 -4.498 1.00 0.00 C ATOM 219 C ILE A 15 8.145 7.460 -4.534 1.00 0.00 C ATOM 220 O ILE A 15 8.364 6.833 -3.497 1.00 0.00 O ATOM 221 CB ILE A 15 5.894 8.522 -4.614 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.131 9.840 -4.757 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.408 7.754 -3.394 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.323 10.774 -3.583 1.00 0.00 C ATOM 0 H ILE A 15 7.176 9.940 -6.239 1.00 0.00 H new ATOM 0 HA ILE A 15 7.613 9.279 -3.547 1.00 0.00 H new ATOM 0 HB ILE A 15 5.708 7.920 -5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.455 10.342 -5.668 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.068 9.626 -4.872 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.338 7.569 -3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.937 6.803 -3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.601 8.339 -2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.755 11.689 -3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.972 10.290 -2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.381 11.017 -3.481 1.00 0.00 H new ATOM 236 N ARG A 16 8.516 7.031 -5.726 1.00 0.00 N ATOM 237 CA ARG A 16 9.220 5.762 -5.898 1.00 0.00 C ATOM 238 C ARG A 16 10.664 5.840 -5.403 1.00 0.00 C ATOM 239 O ARG A 16 11.091 5.032 -4.577 1.00 0.00 O ATOM 240 CB ARG A 16 9.192 5.333 -7.364 1.00 0.00 C ATOM 241 CG ARG A 16 9.672 6.389 -8.348 1.00 0.00 C ATOM 242 CD ARG A 16 11.051 6.045 -8.892 1.00 0.00 C ATOM 243 NE ARG A 16 11.396 6.843 -10.065 1.00 0.00 N ATOM 244 CZ ARG A 16 12.389 6.545 -10.900 1.00 0.00 C ATOM 245 NH1 ARG A 16 13.136 5.467 -10.696 1.00 0.00 N ATOM 246 NH2 ARG A 16 12.635 7.328 -11.942 1.00 0.00 N ATOM 0 H ARG A 16 8.344 7.539 -6.594 1.00 0.00 H new ATOM 0 HA ARG A 16 8.702 5.017 -5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.810 4.442 -7.479 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.172 5.050 -7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.963 6.472 -9.172 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.704 7.361 -7.856 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.797 6.205 -8.114 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.084 4.987 -9.152 1.00 0.00 H new ATOM 0 HE ARG A 16 10.843 7.679 -10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.951 4.862 -9.896 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.896 5.244 -11.339 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.064 8.157 -12.103 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.396 7.101 -12.582 1.00 0.00 H new ATOM 260 N TRP A 17 11.415 6.799 -5.928 1.00 0.00 N ATOM 261 CA TRP A 17 12.821 6.974 -5.563 1.00 0.00 C ATOM 262 C TRP A 17 13.049 6.959 -4.053 1.00 0.00 C ATOM 263 O TRP A 17 14.025 6.378 -3.578 1.00 0.00 O ATOM 264 CB TRP A 17 13.362 8.281 -6.137 1.00 0.00 C ATOM 265 CG TRP A 17 14.841 8.435 -5.944 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.828 7.927 -6.737 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.498 9.140 -4.883 1.00 0.00 C ATOM 268 NE1 TRP A 17 17.059 8.274 -6.238 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.883 9.019 -5.101 1.00 0.00 C ATOM 270 CE3 TRP A 17 15.051 9.862 -3.774 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.824 9.594 -4.249 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.985 10.432 -2.929 1.00 0.00 C ATOM 273 CH2 TRP A 17 17.358 10.296 -3.171 1.00 0.00 C ATOM 0 H TRP A 17 11.074 7.474 -6.613 1.00 0.00 H new ATOM 0 HA TRP A 17 13.356 6.124 -5.988 1.00 0.00 H new ATOM 0 HB2 TRP A 17 13.133 8.327 -7.202 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.850 9.119 -5.664 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.665 7.338 -7.627 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.958 8.019 -6.647 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.994 9.973 -3.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.883 9.489 -4.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.650 10.991 -2.068 1.00 0.00 H new ATOM 0 HH2 TRP A 17 18.063 10.754 -2.493 1.00 0.00 H new ATOM 284 N VAL A 18 12.175 7.618 -3.299 1.00 0.00 N ATOM 285 CA VAL A 18 12.337 7.680 -1.851 1.00 0.00 C ATOM 286 C VAL A 18 12.008 6.360 -1.179 1.00 0.00 C ATOM 287 O VAL A 18 12.821 5.800 -0.444 1.00 0.00 O ATOM 288 CB VAL A 18 11.477 8.779 -1.184 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.183 9.316 0.049 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.152 9.912 -2.146 1.00 0.00 C ATOM 0 H VAL A 18 11.358 8.110 -3.660 1.00 0.00 H new ATOM 0 HA VAL A 18 13.391 7.921 -1.709 1.00 0.00 H new ATOM 0 HB VAL A 18 10.531 8.325 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.570 10.089 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.341 8.505 0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.145 9.740 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.547 10.661 -1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.078 10.370 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.598 9.518 -2.998 1.00 0.00 H new ATOM 300 N LEU A 19 10.796 5.895 -1.402 1.00 0.00 N ATOM 301 CA LEU A 19 10.325 4.661 -0.786 1.00 0.00 C ATOM 302 C LEU A 19 11.098 3.438 -1.262 1.00 0.00 C ATOM 303 O LEU A 19 11.257 2.471 -0.519 1.00 0.00 O ATOM 304 CB LEU A 19 8.828 4.476 -1.029 1.00 0.00 C ATOM 305 CG LEU A 19 7.935 5.007 0.096 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.281 6.455 0.411 1.00 0.00 C ATOM 307 CD2 LEU A 19 6.469 4.869 -0.272 1.00 0.00 C ATOM 0 H LEU A 19 10.113 6.351 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 19 10.504 4.754 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.558 4.978 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.623 3.415 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 19 8.115 4.410 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.637 6.817 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.323 6.520 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.131 7.067 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.852 5.252 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.267 5.437 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.234 3.818 -0.442 1.00 0.00 H new ATOM 319 N GLU A 20 11.572 3.474 -2.496 1.00 0.00 N ATOM 320 CA GLU A 20 12.317 2.349 -3.043 1.00 0.00 C ATOM 321 C GLU A 20 13.663 2.177 -2.344 1.00 0.00 C ATOM 322 O GLU A 20 13.946 1.126 -1.767 1.00 0.00 O ATOM 323 CB GLU A 20 12.506 2.498 -4.559 1.00 0.00 C ATOM 324 CG GLU A 20 13.512 3.555 -4.983 1.00 0.00 C ATOM 325 CD GLU A 20 13.526 3.772 -6.483 1.00 0.00 C ATOM 326 OE1 GLU A 20 12.463 3.604 -7.117 1.00 0.00 O ATOM 327 OE2 GLU A 20 14.600 4.110 -7.024 1.00 0.00 O ATOM 0 H GLU A 20 11.457 4.261 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 20 11.730 1.449 -2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.819 1.537 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.542 2.736 -5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.278 4.496 -4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.507 3.258 -4.652 1.00 0.00 H new ATOM 334 N ARG A 21 14.487 3.210 -2.406 1.00 0.00 N ATOM 335 CA ARG A 21 15.811 3.180 -1.788 1.00 0.00 C ATOM 336 C ARG A 21 15.727 2.874 -0.295 1.00 0.00 C ATOM 337 O ARG A 21 16.417 1.983 0.202 1.00 0.00 O ATOM 338 CB ARG A 21 16.527 4.517 -2.002 1.00 0.00 C ATOM 339 CG ARG A 21 17.042 4.718 -3.418 1.00 0.00 C ATOM 340 CD ARG A 21 18.499 4.298 -3.553 1.00 0.00 C ATOM 341 NE ARG A 21 19.379 5.058 -2.664 1.00 0.00 N ATOM 342 CZ ARG A 21 19.872 4.587 -1.517 1.00 0.00 C ATOM 343 NH1 ARG A 21 19.560 3.368 -1.096 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.677 5.347 -0.786 1.00 0.00 N ATOM 0 H ARG A 21 14.265 4.086 -2.879 1.00 0.00 H new ATOM 0 HA ARG A 21 16.379 2.382 -2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.842 5.329 -1.756 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.365 4.585 -1.308 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.431 4.141 -4.112 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.938 5.766 -3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 21 18.591 3.235 -3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.821 4.436 -4.585 1.00 0.00 H new ATOM 0 HE ARG A 21 19.631 6.007 -2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 21 18.937 2.781 -1.651 1.00 0.00 H new ATOM 0 HH12 ARG A 21 19.943 3.018 -0.218 1.00 0.00 H new ATOM 0 HH21 ARG A 21 20.917 6.287 -1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.056 4.991 0.092 1.00 0.00 H new ATOM 358 N ALA A 22 14.892 3.621 0.420 1.00 0.00 N ATOM 359 CA ALA A 22 14.741 3.426 1.860 1.00 0.00 C ATOM 360 C ALA A 22 14.275 2.020 2.187 1.00 0.00 C ATOM 361 O ALA A 22 14.785 1.384 3.109 1.00 0.00 O ATOM 362 CB ALA A 22 13.785 4.455 2.444 1.00 0.00 C ATOM 0 H ALA A 22 14.312 4.364 0.030 1.00 0.00 H new ATOM 0 HA ALA A 22 15.722 3.564 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.687 4.292 3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.174 5.457 2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.808 4.354 1.971 1.00 0.00 H new ATOM 368 N LEU A 23 13.310 1.537 1.426 1.00 0.00 N ATOM 369 CA LEU A 23 12.787 0.196 1.640 1.00 0.00 C ATOM 370 C LEU A 23 13.786 -0.844 1.146 1.00 0.00 C ATOM 371 O LEU A 23 13.810 -1.983 1.621 1.00 0.00 O ATOM 372 CB LEU A 23 11.433 0.018 0.951 1.00 0.00 C ATOM 373 CG LEU A 23 10.547 -1.105 1.512 1.00 0.00 C ATOM 374 CD1 LEU A 23 10.800 -1.322 2.999 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.079 -0.798 1.265 1.00 0.00 C ATOM 0 H LEU A 23 12.873 2.048 0.658 1.00 0.00 H new ATOM 0 HA LEU A 23 12.637 0.053 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.885 0.958 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.606 -0.175 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 23 10.807 -2.026 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.157 -2.123 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.844 -1.595 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 23 10.580 -0.404 3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.466 -1.604 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.816 0.139 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.901 -0.709 0.193 1.00 0.00 H new ATOM 387 N ALA A 24 14.632 -0.434 0.209 1.00 0.00 N ATOM 388 CA ALA A 24 15.654 -1.311 -0.322 1.00 0.00 C ATOM 389 C ALA A 24 16.702 -1.568 0.747 1.00 0.00 C ATOM 390 O ALA A 24 17.244 -2.668 0.853 1.00 0.00 O ATOM 391 CB ALA A 24 16.289 -0.701 -1.563 1.00 0.00 C ATOM 0 H ALA A 24 14.626 0.502 -0.196 1.00 0.00 H new ATOM 0 HA ALA A 24 15.200 -2.259 -0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.055 -1.374 -1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.525 -0.547 -2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.743 0.256 -1.306 1.00 0.00 H new ATOM 397 N GLY A 25 16.964 -0.545 1.561 1.00 0.00 N ATOM 398 CA GLY A 25 17.924 -0.687 2.634 1.00 0.00 C ATOM 399 C GLY A 25 17.465 -1.711 3.650 1.00 0.00 C ATOM 400 O GLY A 25 18.277 -2.325 4.341 1.00 0.00 O ATOM 0 H GLY A 25 16.528 0.374 1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.889 -0.985 2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.069 0.275 3.125 1.00 0.00 H new ATOM 404 N ALA A 26 16.146 -1.894 3.734 1.00 0.00 N ATOM 405 CA ALA A 26 15.562 -2.850 4.659 1.00 0.00 C ATOM 406 C ALA A 26 15.714 -4.280 4.146 1.00 0.00 C ATOM 407 O ALA A 26 15.581 -5.236 4.906 1.00 0.00 O ATOM 408 CB ALA A 26 14.092 -2.525 4.877 1.00 0.00 C ATOM 0 H ALA A 26 15.465 -1.388 3.168 1.00 0.00 H new ATOM 0 HA ALA A 26 16.094 -2.776 5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.659 -3.245 5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.999 -1.521 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.563 -2.576 3.925 1.00 0.00 H new ATOM 414 N GLY A 27 16.021 -4.417 2.855 1.00 0.00 N ATOM 415 CA GLY A 27 16.213 -5.735 2.281 1.00 0.00 C ATOM 416 C GLY A 27 15.017 -6.260 1.499 1.00 0.00 C ATOM 417 O GLY A 27 14.843 -7.475 1.394 1.00 0.00 O ATOM 0 H GLY A 27 16.139 -3.642 2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.080 -5.708 1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.444 -6.437 3.082 1.00 0.00 H new ATOM 421 N LEU A 28 14.184 -5.374 0.946 1.00 0.00 N ATOM 422 CA LEU A 28 13.023 -5.825 0.185 1.00 0.00 C ATOM 423 C LEU A 28 12.988 -5.222 -1.216 1.00 0.00 C ATOM 424 O LEU A 28 13.767 -4.327 -1.542 1.00 0.00 O ATOM 425 CB LEU A 28 11.718 -5.504 0.919 1.00 0.00 C ATOM 426 CG LEU A 28 11.848 -5.320 2.431 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.106 -3.872 2.763 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.613 -5.845 3.146 1.00 0.00 C ATOM 0 H LEU A 28 14.290 -4.362 1.010 1.00 0.00 H new ATOM 0 HA LEU A 28 13.117 -6.907 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.295 -4.594 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.005 -6.306 0.727 1.00 0.00 H new ATOM 0 HG LEU A 28 12.701 -5.901 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.196 -3.757 3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.031 -3.548 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.278 -3.263 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.727 -5.704 4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.734 -5.302 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.491 -6.907 2.930 1.00 0.00 H new ATOM 440 N THR A 29 12.070 -5.726 -2.040 1.00 0.00 N ATOM 441 CA THR A 29 11.917 -5.249 -3.409 1.00 0.00 C ATOM 442 C THR A 29 10.763 -4.254 -3.511 1.00 0.00 C ATOM 443 O THR A 29 9.593 -4.637 -3.462 1.00 0.00 O ATOM 444 CB THR A 29 11.681 -6.432 -4.354 1.00 0.00 C ATOM 445 OG1 THR A 29 12.839 -7.245 -4.448 1.00 0.00 O ATOM 446 CG2 THR A 29 11.298 -6.019 -5.760 1.00 0.00 C ATOM 0 H THR A 29 11.420 -6.467 -1.779 1.00 0.00 H new ATOM 0 HA THR A 29 12.835 -4.738 -3.701 1.00 0.00 H new ATOM 0 HB THR A 29 10.847 -6.980 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.664 -7.994 -5.055 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.147 -6.908 -6.372 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.376 -5.438 -5.730 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.095 -5.413 -6.191 1.00 0.00 H new ATOM 454 N CYS A 30 11.103 -2.976 -3.652 1.00 0.00 N ATOM 455 CA CYS A 30 10.107 -1.915 -3.755 1.00 0.00 C ATOM 456 C CYS A 30 9.858 -1.518 -5.207 1.00 0.00 C ATOM 457 O CYS A 30 10.754 -1.007 -5.879 1.00 0.00 O ATOM 458 CB CYS A 30 10.570 -0.689 -2.977 1.00 0.00 C ATOM 459 SG CYS A 30 9.232 0.418 -2.471 1.00 0.00 S ATOM 0 H CYS A 30 12.068 -2.649 -3.698 1.00 0.00 H new ATOM 0 HA CYS A 30 9.176 -2.297 -3.336 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.109 -1.019 -2.089 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.277 -0.130 -3.590 1.00 0.00 H new ATOM 0 HG CYS A 30 9.558 1.015 -1.363 1.00 0.00 H new ATOM 465 N THR A 31 8.631 -1.721 -5.680 1.00 0.00 N ATOM 466 CA THR A 31 8.280 -1.344 -7.044 1.00 0.00 C ATOM 467 C THR A 31 7.041 -0.454 -7.002 1.00 0.00 C ATOM 468 O THR A 31 6.065 -0.766 -6.320 1.00 0.00 O ATOM 469 CB THR A 31 8.035 -2.579 -7.920 1.00 0.00 C ATOM 470 OG1 THR A 31 8.200 -2.254 -9.290 1.00 0.00 O ATOM 471 CG2 THR A 31 6.646 -3.149 -7.781 1.00 0.00 C ATOM 0 H THR A 31 7.871 -2.140 -5.144 1.00 0.00 H new ATOM 0 HA THR A 31 9.111 -0.798 -7.490 1.00 0.00 H new ATOM 0 HB THR A 31 8.761 -3.317 -7.579 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.042 -3.052 -9.837 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.544 -4.020 -8.429 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.476 -3.445 -6.746 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.913 -2.395 -8.068 1.00 0.00 H new ATOM 479 N THR A 32 7.101 0.671 -7.693 1.00 0.00 N ATOM 480 CA THR A 32 6.005 1.624 -7.692 1.00 0.00 C ATOM 481 C THR A 32 5.170 1.575 -8.967 1.00 0.00 C ATOM 482 O THR A 32 5.565 0.982 -9.969 1.00 0.00 O ATOM 483 CB THR A 32 6.560 3.017 -7.467 1.00 0.00 C ATOM 484 OG1 THR A 32 7.430 3.377 -8.525 1.00 0.00 O ATOM 485 CG2 THR A 32 7.331 3.121 -6.167 1.00 0.00 C ATOM 0 H THR A 32 7.900 0.947 -8.264 1.00 0.00 H new ATOM 0 HA THR A 32 5.330 1.352 -6.881 1.00 0.00 H new ATOM 0 HB THR A 32 5.704 3.691 -7.425 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.907 3.747 -9.267 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.710 4.136 -6.049 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.672 2.880 -5.333 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.167 2.422 -6.183 1.00 0.00 H new ATOM 493 N PHE A 33 3.986 2.181 -8.890 1.00 0.00 N ATOM 494 CA PHE A 33 3.040 2.197 -9.999 1.00 0.00 C ATOM 495 C PHE A 33 2.421 3.585 -10.204 1.00 0.00 C ATOM 496 O PHE A 33 2.688 4.515 -9.445 1.00 0.00 O ATOM 497 CB PHE A 33 1.958 1.151 -9.776 1.00 0.00 C ATOM 498 CG PHE A 33 2.496 -0.246 -9.621 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.309 -0.574 -8.551 1.00 0.00 C ATOM 500 CD2 PHE A 33 2.193 -1.229 -10.549 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.812 -1.850 -8.407 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.690 -2.508 -10.411 1.00 0.00 C ATOM 503 CZ PHE A 33 3.502 -2.822 -9.342 1.00 0.00 C ATOM 0 H PHE A 33 3.658 2.673 -8.059 1.00 0.00 H new ATOM 0 HA PHE A 33 3.588 1.954 -10.909 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.388 1.413 -8.884 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.264 1.173 -10.616 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.553 0.180 -7.818 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.560 -0.991 -11.391 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.446 -2.090 -7.567 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.443 -3.264 -11.141 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.895 -3.822 -9.235 1.00 0.00 H new ATOM 513 N GLU A 34 1.628 3.719 -11.272 1.00 0.00 N ATOM 514 CA GLU A 34 1.002 4.993 -11.638 1.00 0.00 C ATOM 515 C GLU A 34 0.048 5.547 -10.574 1.00 0.00 C ATOM 516 O GLU A 34 0.028 6.757 -10.350 1.00 0.00 O ATOM 517 CB GLU A 34 0.233 4.832 -12.954 1.00 0.00 C ATOM 518 CG GLU A 34 -0.840 3.754 -12.902 1.00 0.00 C ATOM 519 CD GLU A 34 -2.165 4.253 -12.360 1.00 0.00 C ATOM 520 OE1 GLU A 34 -2.543 5.403 -12.669 1.00 0.00 O ATOM 521 OE2 GLU A 34 -2.829 3.487 -11.626 1.00 0.00 O ATOM 0 H GLU A 34 1.403 2.951 -11.904 1.00 0.00 H new ATOM 0 HA GLU A 34 1.817 5.710 -11.738 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.231 5.784 -13.213 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.938 4.594 -13.751 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.993 3.354 -13.905 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.488 2.930 -12.281 1.00 0.00 H new ATOM 528 N ASN A 35 -0.756 4.701 -9.924 1.00 0.00 N ATOM 529 CA ASN A 35 -1.686 5.216 -8.918 1.00 0.00 C ATOM 530 C ASN A 35 -2.333 4.134 -8.064 1.00 0.00 C ATOM 531 O ASN A 35 -2.409 4.263 -6.842 1.00 0.00 O ATOM 532 CB ASN A 35 -2.779 6.045 -9.591 1.00 0.00 C ATOM 533 CG ASN A 35 -3.248 7.193 -8.718 1.00 0.00 C ATOM 534 OD1 ASN A 35 -4.336 7.147 -8.145 1.00 0.00 O ATOM 535 ND2 ASN A 35 -2.429 8.231 -8.616 1.00 0.00 N ATOM 0 H ASN A 35 -0.783 3.692 -10.069 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.088 5.832 -8.246 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.404 6.439 -10.536 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.626 5.402 -9.828 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.692 9.034 -8.045 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.536 8.226 -9.109 1.00 0.00 H new ATOM 542 N GLY A 36 -2.818 3.086 -8.704 1.00 0.00 N ATOM 543 CA GLY A 36 -3.473 2.019 -7.967 1.00 0.00 C ATOM 544 C GLY A 36 -3.903 0.855 -8.837 1.00 0.00 C ATOM 545 O GLY A 36 -3.663 -0.303 -8.494 1.00 0.00 O ATOM 0 H GLY A 36 -2.773 2.950 -9.714 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.796 1.654 -7.195 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.348 2.424 -7.458 1.00 0.00 H new ATOM 549 N ASN A 37 -4.552 1.156 -9.957 1.00 0.00 N ATOM 550 CA ASN A 37 -5.029 0.118 -10.863 1.00 0.00 C ATOM 551 C ASN A 37 -3.869 -0.639 -11.490 1.00 0.00 C ATOM 552 O ASN A 37 -3.998 -1.811 -11.848 1.00 0.00 O ATOM 553 CB ASN A 37 -5.913 0.724 -11.951 1.00 0.00 C ATOM 554 CG ASN A 37 -7.208 -0.045 -12.135 1.00 0.00 C ATOM 555 OD1 ASN A 37 -7.969 -0.190 -11.056 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -7.521 -0.502 -13.235 1.00 0.00 N flip ATOM 0 H ASN A 37 -4.759 2.108 -10.258 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.620 -0.589 -10.281 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.141 1.759 -11.696 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.366 0.741 -12.893 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.906 -0.367 -14.037 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.395 -1.016 -13.344 1.00 0.00 H new ATOM 563 N GLU A 38 -2.734 0.036 -11.620 1.00 0.00 N ATOM 564 CA GLU A 38 -1.550 -0.573 -12.204 1.00 0.00 C ATOM 565 C GLU A 38 -1.128 -1.810 -11.421 1.00 0.00 C ATOM 566 O GLU A 38 -0.970 -2.887 -11.997 1.00 0.00 O ATOM 567 CB GLU A 38 -0.411 0.437 -12.243 1.00 0.00 C ATOM 568 CG GLU A 38 0.245 0.570 -13.608 1.00 0.00 C ATOM 569 CD GLU A 38 1.566 -0.169 -13.694 1.00 0.00 C ATOM 570 OE1 GLU A 38 1.553 -1.418 -13.649 1.00 0.00 O ATOM 571 OE2 GLU A 38 2.615 0.500 -13.803 1.00 0.00 O ATOM 0 H GLU A 38 -2.610 1.006 -11.328 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.791 -0.882 -13.221 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.791 1.411 -11.937 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.345 0.146 -11.514 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.432 0.187 -14.371 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.408 1.625 -13.827 1.00 0.00 H new ATOM 578 N VAL A 39 -0.948 -1.669 -10.105 1.00 0.00 N ATOM 579 CA VAL A 39 -0.551 -2.809 -9.289 1.00 0.00 C ATOM 580 C VAL A 39 -1.490 -3.979 -9.541 1.00 0.00 C ATOM 581 O VAL A 39 -1.054 -5.104 -9.787 1.00 0.00 O ATOM 582 CB VAL A 39 -0.545 -2.491 -7.776 1.00 0.00 C ATOM 583 CG1 VAL A 39 0.174 -3.588 -7.006 1.00 0.00 C ATOM 584 CG2 VAL A 39 0.100 -1.143 -7.494 1.00 0.00 C ATOM 0 H VAL A 39 -1.069 -0.794 -9.594 1.00 0.00 H new ATOM 0 HA VAL A 39 0.469 -3.061 -9.580 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.582 -2.444 -7.443 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.169 -3.349 -5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.335 -4.539 -7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.203 -3.664 -7.356 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.087 -0.951 -6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.130 -1.151 -7.849 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.455 -0.359 -8.009 1.00 0.00 H new ATOM 594 N LEU A 40 -2.788 -3.695 -9.485 1.00 0.00 N ATOM 595 CA LEU A 40 -3.816 -4.710 -9.707 1.00 0.00 C ATOM 596 C LEU A 40 -3.523 -5.522 -10.966 1.00 0.00 C ATOM 597 O LEU A 40 -3.664 -6.746 -10.973 1.00 0.00 O ATOM 598 CB LEU A 40 -5.190 -4.046 -9.818 1.00 0.00 C ATOM 599 CG LEU A 40 -5.491 -3.001 -8.741 1.00 0.00 C ATOM 600 CD1 LEU A 40 -6.901 -2.458 -8.906 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.304 -3.598 -7.352 1.00 0.00 C ATOM 0 H LEU A 40 -3.156 -2.764 -9.287 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.813 -5.391 -8.856 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.270 -3.572 -10.796 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.956 -4.820 -9.776 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.790 -2.174 -8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.098 -1.716 -8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.000 -1.994 -9.887 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.618 -3.274 -8.817 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.522 -2.841 -6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.981 -4.443 -7.225 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.275 -3.938 -7.238 1.00 0.00 H new ATOM 613 N ALA A 41 -3.108 -4.837 -12.027 1.00 0.00 N ATOM 614 CA ALA A 41 -2.787 -5.500 -13.286 1.00 0.00 C ATOM 615 C ALA A 41 -1.549 -6.368 -13.140 1.00 0.00 C ATOM 616 O ALA A 41 -1.543 -7.540 -13.517 1.00 0.00 O ATOM 617 CB ALA A 41 -2.592 -4.477 -14.394 1.00 0.00 C ATOM 0 H ALA A 41 -2.986 -3.824 -12.040 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.625 -6.144 -13.553 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.353 -4.990 -15.325 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.508 -3.900 -14.522 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.775 -3.806 -14.130 1.00 0.00 H new ATOM 623 N ALA A 42 -0.504 -5.782 -12.580 1.00 0.00 N ATOM 624 CA ALA A 42 0.751 -6.489 -12.364 1.00 0.00 C ATOM 625 C ALA A 42 0.555 -7.653 -11.399 1.00 0.00 C ATOM 626 O ALA A 42 1.303 -8.630 -11.423 1.00 0.00 O ATOM 627 CB ALA A 42 1.813 -5.540 -11.824 1.00 0.00 C ATOM 0 H ALA A 42 -0.499 -4.812 -12.264 1.00 0.00 H new ATOM 0 HA ALA A 42 1.086 -6.883 -13.323 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.744 -6.086 -11.669 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.979 -4.735 -12.540 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.477 -5.119 -10.876 1.00 0.00 H new ATOM 633 N LEU A 43 -0.448 -7.525 -10.538 1.00 0.00 N ATOM 634 CA LEU A 43 -0.742 -8.544 -9.542 1.00 0.00 C ATOM 635 C LEU A 43 -1.296 -9.822 -10.162 1.00 0.00 C ATOM 636 O LEU A 43 -1.143 -10.908 -9.603 1.00 0.00 O ATOM 637 CB LEU A 43 -1.726 -7.995 -8.515 1.00 0.00 C ATOM 638 CG LEU A 43 -1.082 -7.179 -7.399 1.00 0.00 C ATOM 639 CD1 LEU A 43 -1.913 -5.953 -7.072 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.903 -8.047 -6.173 1.00 0.00 C ATOM 0 H LEU A 43 -1.074 -6.720 -10.511 1.00 0.00 H new ATOM 0 HA LEU A 43 0.198 -8.803 -9.055 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.458 -7.372 -9.028 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.272 -8.828 -8.071 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.105 -6.834 -7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.431 -5.389 -6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.999 -5.325 -7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.907 -6.263 -6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.443 -7.462 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.875 -8.411 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.262 -8.894 -6.417 1.00 0.00 H new ATOM 652 N ALA A 44 -1.941 -9.690 -11.312 1.00 0.00 N ATOM 653 CA ALA A 44 -2.526 -10.840 -12.000 1.00 0.00 C ATOM 654 C ALA A 44 -1.522 -11.983 -12.152 1.00 0.00 C ATOM 655 O ALA A 44 -1.909 -13.135 -12.352 1.00 0.00 O ATOM 656 CB ALA A 44 -3.064 -10.426 -13.361 1.00 0.00 C ATOM 0 H ALA A 44 -2.074 -8.800 -11.791 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.350 -11.205 -11.386 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.496 -11.293 -13.861 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.831 -9.662 -13.232 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.251 -10.026 -13.967 1.00 0.00 H new ATOM 662 N SER A 45 -0.235 -11.660 -12.068 1.00 0.00 N ATOM 663 CA SER A 45 0.810 -12.660 -12.209 1.00 0.00 C ATOM 664 C SER A 45 1.780 -12.655 -11.023 1.00 0.00 C ATOM 665 O SER A 45 2.788 -13.361 -11.045 1.00 0.00 O ATOM 666 CB SER A 45 1.583 -12.436 -13.510 1.00 0.00 C ATOM 667 OG SER A 45 2.708 -13.293 -13.591 1.00 0.00 O ATOM 0 H SER A 45 0.106 -10.713 -11.903 1.00 0.00 H new ATOM 0 HA SER A 45 0.322 -13.635 -12.233 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.926 -12.613 -14.362 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.909 -11.397 -13.569 1.00 0.00 H new ATOM 0 HG SER A 45 2.778 -13.820 -12.767 1.00 0.00 H new ATOM 673 N LYS A 46 1.482 -11.868 -9.989 1.00 0.00 N ATOM 674 CA LYS A 46 2.350 -11.802 -8.817 1.00 0.00 C ATOM 675 C LYS A 46 1.656 -11.112 -7.647 1.00 0.00 C ATOM 676 O LYS A 46 0.730 -10.327 -7.835 1.00 0.00 O ATOM 677 CB LYS A 46 3.647 -11.063 -9.156 1.00 0.00 C ATOM 678 CG LYS A 46 4.901 -11.766 -8.662 1.00 0.00 C ATOM 679 CD LYS A 46 5.730 -10.863 -7.761 1.00 0.00 C ATOM 680 CE LYS A 46 7.180 -11.316 -7.695 1.00 0.00 C ATOM 681 NZ LYS A 46 8.071 -10.247 -7.162 1.00 0.00 N ATOM 0 H LYS A 46 0.655 -11.274 -9.940 1.00 0.00 H new ATOM 0 HA LYS A 46 2.583 -12.825 -8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.712 -10.941 -10.237 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.608 -10.063 -8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.623 -12.668 -8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.502 -12.081 -9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.685 -9.839 -8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.304 -10.859 -6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.256 -12.201 -7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.516 -11.606 -8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.886 -10.126 -7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.543 -9.353 -7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.406 -10.515 -6.215 1.00 0.00 H new ATOM 695 N THR A 47 2.115 -11.409 -6.437 1.00 0.00 N ATOM 696 CA THR A 47 1.547 -10.814 -5.239 1.00 0.00 C ATOM 697 C THR A 47 2.639 -10.439 -4.236 1.00 0.00 C ATOM 698 O THR A 47 3.285 -11.317 -3.663 1.00 0.00 O ATOM 699 CB THR A 47 0.547 -11.777 -4.589 1.00 0.00 C ATOM 700 OG1 THR A 47 -0.520 -12.061 -5.475 1.00 0.00 O ATOM 701 CG2 THR A 47 -0.055 -11.249 -3.301 1.00 0.00 C ATOM 0 H THR A 47 2.881 -12.060 -6.262 1.00 0.00 H new ATOM 0 HA THR A 47 1.027 -9.902 -5.533 1.00 0.00 H new ATOM 0 HB THR A 47 1.123 -12.673 -4.357 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.148 -12.678 -5.044 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.753 -11.983 -2.898 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.739 -11.066 -2.576 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.584 -10.317 -3.502 1.00 0.00 H new ATOM 709 N PRO A 48 2.853 -9.133 -3.991 1.00 0.00 N ATOM 710 CA PRO A 48 3.861 -8.682 -3.031 1.00 0.00 C ATOM 711 C PRO A 48 3.421 -8.969 -1.601 1.00 0.00 C ATOM 712 O PRO A 48 2.252 -9.260 -1.356 1.00 0.00 O ATOM 713 CB PRO A 48 3.945 -7.175 -3.276 1.00 0.00 C ATOM 714 CG PRO A 48 2.610 -6.807 -3.822 1.00 0.00 C ATOM 715 CD PRO A 48 2.132 -8.001 -4.604 1.00 0.00 C ATOM 0 HA PRO A 48 4.818 -9.189 -3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.158 -6.635 -2.354 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.741 -6.932 -3.979 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.914 -6.564 -3.019 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.680 -5.926 -4.460 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.052 -8.125 -4.525 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.366 -7.905 -5.664 1.00 0.00 H new ATOM 723 N ASP A 49 4.350 -8.894 -0.661 1.00 0.00 N ATOM 724 CA ASP A 49 4.020 -9.157 0.733 1.00 0.00 C ATOM 725 C ASP A 49 3.283 -7.974 1.360 1.00 0.00 C ATOM 726 O ASP A 49 2.576 -8.133 2.355 1.00 0.00 O ATOM 727 CB ASP A 49 5.288 -9.479 1.529 1.00 0.00 C ATOM 728 CG ASP A 49 5.864 -10.835 1.168 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.505 -10.943 0.101 1.00 0.00 O ATOM 730 OD2 ASP A 49 5.674 -11.791 1.951 1.00 0.00 O ATOM 0 H ASP A 49 5.327 -8.656 -0.833 1.00 0.00 H new ATOM 0 HA ASP A 49 3.356 -10.021 0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.036 -8.708 1.345 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.061 -9.455 2.595 1.00 0.00 H new ATOM 735 N VAL A 50 3.457 -6.785 0.781 1.00 0.00 N ATOM 736 CA VAL A 50 2.809 -5.583 1.297 1.00 0.00 C ATOM 737 C VAL A 50 2.426 -4.628 0.161 1.00 0.00 C ATOM 738 O VAL A 50 2.885 -4.787 -0.971 1.00 0.00 O ATOM 739 CB VAL A 50 3.746 -4.867 2.286 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.029 -4.467 1.585 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.070 -3.661 2.913 1.00 0.00 C ATOM 0 H VAL A 50 4.039 -6.631 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 50 1.896 -5.884 1.811 1.00 0.00 H new ATOM 0 HB VAL A 50 3.988 -5.559 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.687 -3.961 2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.526 -5.357 1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.798 -3.795 0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.758 -3.178 3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.787 -2.956 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.179 -3.983 3.452 1.00 0.00 H new ATOM 751 N LEU A 51 1.572 -3.647 0.462 1.00 0.00 N ATOM 752 CA LEU A 51 1.124 -2.684 -0.545 1.00 0.00 C ATOM 753 C LEU A 51 0.742 -1.346 0.088 1.00 0.00 C ATOM 754 O LEU A 51 0.071 -1.301 1.120 1.00 0.00 O ATOM 755 CB LEU A 51 -0.078 -3.250 -1.304 1.00 0.00 C ATOM 756 CG LEU A 51 -0.273 -2.710 -2.722 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.958 -2.984 -3.576 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.517 -3.321 -3.354 1.00 0.00 C ATOM 0 H LEU A 51 1.178 -3.499 1.391 1.00 0.00 H new ATOM 0 HA LEU A 51 1.952 -2.511 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.025 -4.334 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.980 -3.044 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.411 -1.630 -2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.799 -2.592 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.826 -2.498 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.132 -4.059 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.643 -2.928 -4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.408 -4.405 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.391 -3.069 -2.754 1.00 0.00 H new ATOM 770 N LEU A 52 1.176 -0.258 -0.547 1.00 0.00 N ATOM 771 CA LEU A 52 0.893 1.095 -0.066 1.00 0.00 C ATOM 772 C LEU A 52 0.173 1.909 -1.146 1.00 0.00 C ATOM 773 O LEU A 52 0.726 2.145 -2.220 1.00 0.00 O ATOM 774 CB LEU A 52 2.203 1.789 0.319 1.00 0.00 C ATOM 775 CG LEU A 52 2.187 2.566 1.637 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.607 2.918 2.062 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.341 3.823 1.502 1.00 0.00 C ATOM 0 H LEU A 52 1.730 -0.288 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 52 0.246 1.028 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.988 1.035 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.476 2.476 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 52 1.743 1.935 2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.579 3.471 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.184 2.003 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.075 3.533 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.340 4.364 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.757 4.459 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.319 3.548 1.240 1.00 0.00 H new ATOM 789 N SER A 53 -1.059 2.333 -0.866 1.00 0.00 N ATOM 790 CA SER A 53 -1.833 3.112 -1.835 1.00 0.00 C ATOM 791 C SER A 53 -1.910 4.587 -1.442 1.00 0.00 C ATOM 792 O SER A 53 -2.142 4.928 -0.279 1.00 0.00 O ATOM 793 CB SER A 53 -3.242 2.536 -1.985 1.00 0.00 C ATOM 794 OG SER A 53 -3.267 1.485 -2.937 1.00 0.00 O ATOM 0 H SER A 53 -1.540 2.153 0.015 1.00 0.00 H new ATOM 0 HA SER A 53 -1.316 3.046 -2.792 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.591 2.166 -1.021 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.929 3.324 -2.291 1.00 0.00 H new ATOM 0 HG SER A 53 -4.128 1.019 -2.887 1.00 0.00 H new ATOM 800 N ASP A 54 -1.686 5.456 -2.429 1.00 0.00 N ATOM 801 CA ASP A 54 -1.698 6.906 -2.225 1.00 0.00 C ATOM 802 C ASP A 54 -3.110 7.510 -2.262 1.00 0.00 C ATOM 803 O ASP A 54 -3.256 8.727 -2.388 1.00 0.00 O ATOM 804 CB ASP A 54 -0.824 7.574 -3.286 1.00 0.00 C ATOM 805 CG ASP A 54 -0.611 9.052 -3.022 1.00 0.00 C ATOM 806 OD1 ASP A 54 0.025 9.387 -2.001 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.077 9.873 -3.838 1.00 0.00 O ATOM 0 H ASP A 54 -1.492 5.176 -3.390 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.303 7.092 -1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.143 7.072 -3.323 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.286 7.447 -4.265 1.00 0.00 H new ATOM 812 N ILE A 55 -4.139 6.669 -2.138 1.00 0.00 N ATOM 813 CA ILE A 55 -5.541 7.121 -2.145 1.00 0.00 C ATOM 814 C ILE A 55 -5.757 8.374 -3.029 1.00 0.00 C ATOM 815 O ILE A 55 -5.701 8.275 -4.253 1.00 0.00 O ATOM 816 CB ILE A 55 -6.064 7.324 -0.690 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.437 7.990 -0.656 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.082 8.105 0.163 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.369 7.382 0.371 1.00 0.00 C ATOM 0 H ILE A 55 -4.030 5.661 -2.030 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.136 6.331 -2.603 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.165 6.325 -0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.314 9.052 -0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.895 7.915 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.487 8.223 1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.136 7.566 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.917 9.087 -0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.328 7.900 0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.521 6.327 0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.931 7.481 1.364 1.00 0.00 H new ATOM 831 N ARG A 56 -5.986 9.542 -2.426 1.00 0.00 N ATOM 832 CA ARG A 56 -6.193 10.779 -3.185 1.00 0.00 C ATOM 833 C ARG A 56 -7.312 10.658 -4.233 1.00 0.00 C ATOM 834 O ARG A 56 -7.170 11.140 -5.356 1.00 0.00 O ATOM 835 CB ARG A 56 -4.890 11.202 -3.865 1.00 0.00 C ATOM 836 CG ARG A 56 -4.560 12.674 -3.680 1.00 0.00 C ATOM 837 CD ARG A 56 -3.144 12.981 -4.130 1.00 0.00 C ATOM 838 NE ARG A 56 -2.960 14.396 -4.441 1.00 0.00 N ATOM 839 CZ ARG A 56 -1.777 15.006 -4.431 1.00 0.00 C ATOM 840 NH1 ARG A 56 -0.673 14.326 -4.146 1.00 0.00 N ATOM 841 NH2 ARG A 56 -1.698 16.299 -4.711 1.00 0.00 N ATOM 0 H ARG A 56 -6.033 9.658 -1.414 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.506 11.539 -2.469 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.071 10.602 -3.469 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.958 10.984 -4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.264 13.281 -4.248 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.678 12.947 -2.631 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.444 12.689 -3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.906 12.383 -5.010 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.784 14.948 -4.679 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.728 13.330 -3.933 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.230 14.800 -4.140 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.543 16.825 -4.934 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.792 16.768 -4.704 1.00 0.00 H new ATOM 855 N MET A 57 -8.432 10.040 -3.856 1.00 0.00 N ATOM 856 CA MET A 57 -9.582 9.886 -4.755 1.00 0.00 C ATOM 857 C MET A 57 -9.205 9.361 -6.143 1.00 0.00 C ATOM 858 O MET A 57 -9.414 10.038 -7.148 1.00 0.00 O ATOM 859 CB MET A 57 -10.342 11.210 -4.891 1.00 0.00 C ATOM 860 CG MET A 57 -11.821 11.033 -5.218 1.00 0.00 C ATOM 861 SD MET A 57 -12.537 12.474 -6.033 1.00 0.00 S ATOM 862 CE MET A 57 -14.089 12.642 -5.152 1.00 0.00 C ATOM 0 H MET A 57 -8.570 9.635 -2.930 1.00 0.00 H new ATOM 0 HA MET A 57 -10.223 9.134 -4.295 1.00 0.00 H new ATOM 0 HB2 MET A 57 -10.248 11.770 -3.961 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.875 11.809 -5.672 1.00 0.00 H new ATOM 0 HG2 MET A 57 -11.944 10.160 -5.860 1.00 0.00 H new ATOM 0 HG3 MET A 57 -12.370 10.832 -4.298 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.642 13.494 -5.548 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.680 11.735 -5.280 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.890 12.799 -4.092 1.00 0.00 H new ATOM 872 N PRO A 58 -8.681 8.128 -6.216 1.00 0.00 N ATOM 873 CA PRO A 58 -8.323 7.502 -7.489 1.00 0.00 C ATOM 874 C PRO A 58 -9.571 7.058 -8.260 1.00 0.00 C ATOM 875 O PRO A 58 -10.007 7.735 -9.190 1.00 0.00 O ATOM 876 CB PRO A 58 -7.474 6.300 -7.068 1.00 0.00 C ATOM 877 CG PRO A 58 -7.929 5.968 -5.684 1.00 0.00 C ATOM 878 CD PRO A 58 -8.432 7.244 -5.070 1.00 0.00 C ATOM 0 HA PRO A 58 -7.795 8.179 -8.161 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.621 5.458 -7.744 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.411 6.542 -7.086 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.716 5.214 -5.707 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.109 5.554 -5.097 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.341 7.076 -4.493 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.697 7.674 -4.389 1.00 0.00 H new ATOM 886 N GLY A 59 -10.153 5.927 -7.856 1.00 0.00 N ATOM 887 CA GLY A 59 -11.352 5.427 -8.504 1.00 0.00 C ATOM 888 C GLY A 59 -12.578 5.549 -7.614 1.00 0.00 C ATOM 889 O GLY A 59 -13.699 5.690 -8.100 1.00 0.00 O ATOM 0 H GLY A 59 -9.811 5.349 -7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.520 5.979 -9.429 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.206 4.382 -8.778 1.00 0.00 H new ATOM 893 N MET A 60 -12.353 5.500 -6.305 1.00 0.00 N ATOM 894 CA MET A 60 -13.426 5.613 -5.324 1.00 0.00 C ATOM 895 C MET A 60 -12.887 6.192 -4.027 1.00 0.00 C ATOM 896 O MET A 60 -12.852 5.518 -2.991 1.00 0.00 O ATOM 897 CB MET A 60 -14.072 4.253 -5.053 1.00 0.00 C ATOM 898 CG MET A 60 -15.239 4.317 -4.082 1.00 0.00 C ATOM 899 SD MET A 60 -16.839 4.286 -4.914 1.00 0.00 S ATOM 900 CE MET A 60 -17.615 2.901 -4.089 1.00 0.00 C ATOM 0 H MET A 60 -11.426 5.381 -5.896 1.00 0.00 H new ATOM 0 HA MET A 60 -14.186 6.279 -5.732 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.418 3.830 -5.996 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.317 3.574 -4.657 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.177 3.477 -3.390 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.161 5.227 -3.486 1.00 0.00 H new ATOM 0 HE1 MET A 60 -18.616 2.751 -4.493 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.021 2.002 -4.250 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.682 3.105 -3.020 1.00 0.00 H new ATOM 910 N ASP A 61 -12.448 7.440 -4.106 1.00 0.00 N ATOM 911 CA ASP A 61 -11.893 8.155 -2.964 1.00 0.00 C ATOM 912 C ASP A 61 -10.556 7.573 -2.515 1.00 0.00 C ATOM 913 O ASP A 61 -9.747 8.277 -1.923 1.00 0.00 O ATOM 914 CB ASP A 61 -12.884 8.152 -1.809 1.00 0.00 C ATOM 915 CG ASP A 61 -13.490 9.522 -1.574 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.726 10.509 -1.542 1.00 0.00 O ATOM 917 OD2 ASP A 61 -14.727 9.608 -1.425 1.00 0.00 O ATOM 0 H ASP A 61 -12.466 7.988 -4.966 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.710 9.182 -3.281 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.679 7.435 -2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.381 7.818 -0.901 1.00 0.00 H new ATOM 922 N GLY A 62 -10.332 6.295 -2.803 1.00 0.00 N ATOM 923 CA GLY A 62 -9.096 5.638 -2.425 1.00 0.00 C ATOM 924 C GLY A 62 -9.358 4.225 -1.987 1.00 0.00 C ATOM 925 O GLY A 62 -8.536 3.330 -2.187 1.00 0.00 O ATOM 0 H GLY A 62 -10.994 5.697 -3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.405 5.640 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.616 6.191 -1.618 1.00 0.00 H new ATOM 929 N LEU A 63 -10.527 4.028 -1.398 1.00 0.00 N ATOM 930 CA LEU A 63 -10.926 2.721 -0.941 1.00 0.00 C ATOM 931 C LEU A 63 -11.223 1.819 -2.133 1.00 0.00 C ATOM 932 O LEU A 63 -11.252 0.597 -2.003 1.00 0.00 O ATOM 933 CB LEU A 63 -12.123 2.825 0.004 1.00 0.00 C ATOM 934 CG LEU A 63 -12.044 3.984 1.004 1.00 0.00 C ATOM 935 CD1 LEU A 63 -12.717 5.232 0.453 1.00 0.00 C ATOM 936 CD2 LEU A 63 -12.648 3.587 2.338 1.00 0.00 C ATOM 0 H LEU A 63 -11.213 4.764 -1.228 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.107 2.273 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.030 2.935 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.216 1.890 0.557 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.991 4.217 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.645 6.037 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.222 5.535 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.767 5.020 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.581 4.425 3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.694 3.315 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.104 2.735 2.745 1.00 0.00 H new ATOM 948 N ALA A 64 -11.413 2.424 -3.311 1.00 0.00 N ATOM 949 CA ALA A 64 -11.663 1.647 -4.522 1.00 0.00 C ATOM 950 C ALA A 64 -10.565 0.608 -4.703 1.00 0.00 C ATOM 951 O ALA A 64 -10.819 -0.528 -5.102 1.00 0.00 O ATOM 952 CB ALA A 64 -11.717 2.555 -5.745 1.00 0.00 C ATOM 0 H ALA A 64 -11.398 3.435 -3.447 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.626 1.147 -4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.904 1.955 -6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.519 3.283 -5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.766 3.077 -5.853 1.00 0.00 H new ATOM 958 N LEU A 65 -9.340 1.021 -4.394 1.00 0.00 N ATOM 959 CA LEU A 65 -8.180 0.153 -4.505 1.00 0.00 C ATOM 960 C LEU A 65 -8.306 -1.044 -3.571 1.00 0.00 C ATOM 961 O LEU A 65 -7.950 -2.164 -3.932 1.00 0.00 O ATOM 962 CB LEU A 65 -6.912 0.943 -4.186 1.00 0.00 C ATOM 963 CG LEU A 65 -6.246 1.591 -5.396 1.00 0.00 C ATOM 964 CD1 LEU A 65 -5.353 2.743 -4.964 1.00 0.00 C ATOM 965 CD2 LEU A 65 -5.454 0.555 -6.181 1.00 0.00 C ATOM 0 H LEU A 65 -9.127 1.962 -4.062 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.122 -0.221 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.157 1.721 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.195 0.276 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.023 1.993 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.888 3.191 -5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.951 3.493 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.579 2.371 -4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.984 1.032 -7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.685 0.123 -5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.125 -0.233 -6.524 1.00 0.00 H new ATOM 977 N LEU A 66 -8.829 -0.804 -2.375 1.00 0.00 N ATOM 978 CA LEU A 66 -9.017 -1.870 -1.402 1.00 0.00 C ATOM 979 C LEU A 66 -9.924 -2.944 -1.983 1.00 0.00 C ATOM 980 O LEU A 66 -9.656 -4.138 -1.865 1.00 0.00 O ATOM 981 CB LEU A 66 -9.625 -1.319 -0.107 1.00 0.00 C ATOM 982 CG LEU A 66 -8.637 -0.686 0.884 1.00 0.00 C ATOM 983 CD1 LEU A 66 -7.330 -1.468 0.938 1.00 0.00 C ATOM 984 CD2 LEU A 66 -8.376 0.771 0.526 1.00 0.00 C ATOM 0 H LEU A 66 -9.130 0.117 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.044 -2.304 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.374 -0.572 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.148 -2.130 0.400 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.089 -0.723 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.652 -0.995 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.531 -2.491 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.871 -1.478 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.674 1.201 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.954 0.829 -0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.313 1.327 0.559 1.00 0.00 H new ATOM 996 N LYS A 67 -10.997 -2.499 -2.624 1.00 0.00 N ATOM 997 CA LYS A 67 -11.952 -3.406 -3.243 1.00 0.00 C ATOM 998 C LYS A 67 -11.262 -4.296 -4.274 1.00 0.00 C ATOM 999 O LYS A 67 -11.505 -5.499 -4.339 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.076 -2.618 -3.908 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.397 -3.361 -3.921 1.00 0.00 C ATOM 1002 CD LYS A 67 -14.498 -4.288 -5.121 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.561 -3.816 -6.096 1.00 0.00 C ATOM 1004 NZ LYS A 67 -15.833 -4.828 -7.153 1.00 0.00 N ATOM 0 H LYS A 67 -11.227 -1.511 -2.728 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.374 -4.039 -2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.205 -1.670 -3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.789 -2.382 -4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.500 -3.939 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.219 -2.645 -3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.534 -4.337 -5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.733 -5.298 -4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.482 -3.601 -5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.240 -2.884 -6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.564 -4.468 -7.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.961 -5.015 -7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.164 -5.710 -6.712 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.399 -3.697 -5.082 1.00 0.00 N ATOM 1019 CA GLN A 68 -9.674 -4.440 -6.101 1.00 0.00 C ATOM 1020 C GLN A 68 -8.579 -5.291 -5.469 1.00 0.00 C ATOM 1021 O GLN A 68 -8.324 -6.414 -5.904 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.041 -3.490 -7.116 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.036 -2.784 -8.021 1.00 0.00 C ATOM 1024 CD GLN A 68 -10.967 -3.744 -8.736 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -12.188 -3.644 -8.620 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -10.392 -4.679 -9.482 1.00 0.00 N ATOM 0 H GLN A 68 -10.184 -2.700 -5.051 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.389 -5.087 -6.609 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.460 -2.739 -6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.341 -4.052 -7.734 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.627 -2.086 -7.428 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.493 -2.194 -8.760 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.375 -4.724 -9.549 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.967 -5.352 -9.988 1.00 0.00 H new ATOM 1035 N ILE A 69 -7.923 -4.744 -4.449 1.00 0.00 N ATOM 1036 CA ILE A 69 -6.846 -5.454 -3.776 1.00 0.00 C ATOM 1037 C ILE A 69 -7.354 -6.721 -3.100 1.00 0.00 C ATOM 1038 O ILE A 69 -6.659 -7.734 -3.054 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.133 -4.567 -2.733 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.464 -3.370 -3.409 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.103 -5.375 -1.947 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.420 -2.138 -2.534 1.00 0.00 C ATOM 0 H ILE A 69 -8.119 -3.816 -4.074 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.126 -5.725 -4.548 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.885 -4.196 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.447 -3.643 -3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.999 -3.135 -4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.613 -4.729 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.602 -6.194 -1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.358 -5.779 -2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.933 -1.326 -3.074 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.436 -1.842 -2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.860 -2.357 -1.625 1.00 0.00 H new ATOM 1054 N LYS A 70 -8.559 -6.654 -2.570 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.145 -7.799 -1.890 1.00 0.00 C ATOM 1056 C LYS A 70 -9.616 -8.846 -2.889 1.00 0.00 C ATOM 1057 O LYS A 70 -9.689 -10.032 -2.572 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.309 -7.360 -0.999 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.518 -6.876 -1.775 1.00 0.00 C ATOM 1060 CD LYS A 70 -12.593 -7.945 -1.867 1.00 0.00 C ATOM 1061 CE LYS A 70 -13.303 -7.903 -3.213 1.00 0.00 C ATOM 1062 NZ LYS A 70 -14.761 -7.648 -3.064 1.00 0.00 N ATOM 0 H LYS A 70 -9.152 -5.824 -2.595 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.373 -8.245 -1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.605 -8.195 -0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.969 -6.563 -0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.928 -5.988 -1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.212 -6.581 -2.779 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.145 -8.928 -1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.319 -7.803 -1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.860 -7.124 -3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.151 -8.849 -3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.207 -7.627 -4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.189 -8.405 -2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.907 -6.733 -2.591 1.00 0.00 H new ATOM 1076 N GLN A 71 -9.944 -8.399 -4.094 1.00 0.00 N ATOM 1077 CA GLN A 71 -10.421 -9.293 -5.132 1.00 0.00 C ATOM 1078 C GLN A 71 -9.263 -9.916 -5.915 1.00 0.00 C ATOM 1079 O GLN A 71 -9.358 -11.053 -6.376 1.00 0.00 O ATOM 1080 CB GLN A 71 -11.391 -8.539 -6.060 1.00 0.00 C ATOM 1081 CG GLN A 71 -11.557 -9.150 -7.446 1.00 0.00 C ATOM 1082 CD GLN A 71 -11.110 -8.219 -8.557 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -10.096 -7.405 -8.282 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 -11.669 -8.233 -9.654 1.00 0.00 N flip ATOM 0 H GLN A 71 -9.887 -7.420 -4.374 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.958 -10.117 -4.662 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.368 -8.493 -5.580 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.041 -7.513 -6.171 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.984 -10.075 -7.501 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.603 -9.414 -7.599 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.444 -8.874 -9.823 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.357 -7.604 -10.393 1.00 0.00 H new ATOM 1093 N ARG A 72 -8.178 -9.171 -6.066 1.00 0.00 N ATOM 1094 CA ARG A 72 -7.013 -9.664 -6.803 1.00 0.00 C ATOM 1095 C ARG A 72 -5.963 -10.272 -5.879 1.00 0.00 C ATOM 1096 O ARG A 72 -5.143 -11.082 -6.313 1.00 0.00 O ATOM 1097 CB ARG A 72 -6.371 -8.542 -7.625 1.00 0.00 C ATOM 1098 CG ARG A 72 -7.212 -8.072 -8.800 1.00 0.00 C ATOM 1099 CD ARG A 72 -6.340 -7.524 -9.918 1.00 0.00 C ATOM 1100 NE ARG A 72 -6.339 -8.394 -11.092 1.00 0.00 N ATOM 1101 CZ ARG A 72 -6.988 -8.124 -12.224 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -7.720 -7.020 -12.339 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -6.913 -8.967 -13.244 1.00 0.00 N ATOM 0 H ARG A 72 -8.075 -8.228 -5.692 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.376 -10.445 -7.470 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.175 -7.693 -6.970 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.406 -8.886 -7.998 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.811 -8.901 -9.176 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.908 -7.302 -8.467 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.696 -6.533 -10.202 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.319 -7.404 -9.555 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.808 -9.263 -11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.789 -6.370 -11.556 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.213 -6.823 -13.210 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.360 -9.820 -13.161 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.409 -8.763 -14.112 1.00 0.00 H new ATOM 1117 N HIS A 73 -5.972 -9.872 -4.614 1.00 0.00 N ATOM 1118 CA HIS A 73 -4.994 -10.381 -3.657 1.00 0.00 C ATOM 1119 C HIS A 73 -5.645 -11.284 -2.612 1.00 0.00 C ATOM 1120 O HIS A 73 -6.695 -10.951 -2.060 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.267 -9.240 -2.931 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.023 -7.998 -3.741 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -3.046 -7.083 -3.411 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -4.628 -7.505 -4.846 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -3.065 -6.091 -4.277 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -4.013 -6.323 -5.157 1.00 0.00 N ATOM 0 H HIS A 73 -6.638 -9.203 -4.228 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.274 -10.959 -4.237 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.848 -8.968 -2.050 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.306 -9.614 -2.577 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -5.446 -7.961 -5.384 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.411 -5.231 -4.266 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.252 -5.720 -5.944 1.00 0.00 H new ATOM 1135 N PRO A 74 -5.022 -12.440 -2.310 1.00 0.00 N ATOM 1136 CA PRO A 74 -5.544 -13.376 -1.309 1.00 0.00 C ATOM 1137 C PRO A 74 -5.659 -12.734 0.073 1.00 0.00 C ATOM 1138 O PRO A 74 -6.724 -12.750 0.687 1.00 0.00 O ATOM 1139 CB PRO A 74 -4.503 -14.502 -1.282 1.00 0.00 C ATOM 1140 CG PRO A 74 -3.768 -14.383 -2.572 1.00 0.00 C ATOM 1141 CD PRO A 74 -3.762 -12.921 -2.905 1.00 0.00 C ATOM 0 HA PRO A 74 -6.549 -13.716 -1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.828 -14.395 -0.433 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.980 -15.478 -1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.752 -14.767 -2.480 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.258 -14.961 -3.356 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.896 -12.414 -2.480 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.734 -12.752 -3.982 1.00 0.00 H new ATOM 1149 N MET A 75 -4.551 -12.172 0.557 1.00 0.00 N ATOM 1150 CA MET A 75 -4.529 -11.527 1.868 1.00 0.00 C ATOM 1151 C MET A 75 -3.404 -10.497 1.959 1.00 0.00 C ATOM 1152 O MET A 75 -2.773 -10.341 3.006 1.00 0.00 O ATOM 1153 CB MET A 75 -4.363 -12.575 2.971 1.00 0.00 C ATOM 1154 CG MET A 75 -5.615 -13.400 3.228 1.00 0.00 C ATOM 1155 SD MET A 75 -5.445 -14.489 4.656 1.00 0.00 S ATOM 1156 CE MET A 75 -6.220 -15.985 4.046 1.00 0.00 C ATOM 0 H MET A 75 -3.660 -12.151 0.062 1.00 0.00 H new ATOM 0 HA MET A 75 -5.479 -11.009 2.002 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.546 -13.245 2.702 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.073 -12.074 3.895 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.461 -12.731 3.384 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.840 -13.997 2.345 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.191 -16.752 4.820 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.256 -15.776 3.781 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.685 -16.339 3.165 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.156 -9.799 0.857 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.109 -8.786 0.804 1.00 0.00 C ATOM 1168 C LEU A 76 -2.489 -7.549 1.617 1.00 0.00 C ATOM 1169 O LEU A 76 -3.518 -6.923 1.359 1.00 0.00 O ATOM 1170 CB LEU A 76 -1.846 -8.392 -0.642 1.00 0.00 C ATOM 1171 CG LEU A 76 -0.378 -8.199 -1.002 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -0.200 -8.224 -2.509 1.00 0.00 C ATOM 1173 CD2 LEU A 76 0.144 -6.899 -0.415 1.00 0.00 C ATOM 0 H LEU A 76 -3.669 -9.917 -0.017 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.205 -9.211 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.266 -9.158 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.381 -7.466 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 76 0.200 -9.019 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.853 -8.085 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.540 -9.183 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.785 -7.422 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.194 -6.775 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.432 -6.063 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.045 -6.924 0.670 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.666 -7.180 2.613 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.929 -6.016 3.464 1.00 0.00 C ATOM 1187 C PRO A 77 -1.800 -4.693 2.712 1.00 0.00 C ATOM 1188 O PRO A 77 -0.745 -4.377 2.162 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.856 -6.106 4.561 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.275 -7.474 4.442 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.426 -7.865 3.004 1.00 0.00 C ATOM 0 HA PRO A 77 -2.950 -6.030 3.845 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.091 -5.342 4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.291 -5.949 5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.774 -7.479 4.739 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.795 -8.176 5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.424 -7.539 2.404 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.505 -8.946 2.884 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.880 -3.920 2.709 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.897 -2.625 2.045 1.00 0.00 C ATOM 1201 C VAL A 78 -2.684 -1.500 3.047 1.00 0.00 C ATOM 1202 O VAL A 78 -3.200 -1.538 4.166 1.00 0.00 O ATOM 1203 CB VAL A 78 -4.224 -2.365 1.314 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -4.089 -1.156 0.405 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.659 -3.589 0.528 1.00 0.00 C ATOM 0 H VAL A 78 -3.759 -4.171 3.162 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.086 -2.646 1.317 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.995 -2.157 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.034 -0.980 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.831 -0.280 1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.305 -1.339 -0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.600 -3.380 0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.896 -3.838 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.793 -4.430 1.209 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.924 -0.499 2.634 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.644 0.639 3.491 1.00 0.00 C ATOM 1217 C ILE A 79 -1.981 1.945 2.788 1.00 0.00 C ATOM 1218 O ILE A 79 -1.313 2.341 1.833 1.00 0.00 O ATOM 1219 CB ILE A 79 -0.170 0.666 3.925 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.255 -0.709 4.449 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.053 1.739 4.979 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.488 -1.257 3.767 1.00 0.00 C ATOM 0 H ILE A 79 -1.491 -0.452 1.712 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.270 0.533 4.377 1.00 0.00 H new ATOM 0 HB ILE A 79 0.446 0.907 3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.442 -0.639 5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.568 -1.411 4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.102 1.745 5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.214 2.713 4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.569 1.529 5.849 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.733 -2.233 4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.298 -1.359 2.699 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.324 -0.575 3.923 1.00 0.00 H new ATOM 1234 N ILE A 80 -3.025 2.609 3.265 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.458 3.872 2.685 1.00 0.00 C ATOM 1236 C ILE A 80 -2.987 5.052 3.526 1.00 0.00 C ATOM 1237 O ILE A 80 -2.983 4.983 4.756 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.988 3.947 2.563 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.572 2.581 2.198 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.381 4.989 1.532 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -5.016 2.021 0.909 1.00 0.00 C ATOM 0 H ILE A 80 -3.589 2.293 4.054 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.014 3.923 1.691 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.397 4.241 3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.372 1.879 3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.655 2.667 2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.467 5.033 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.999 5.964 1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.959 4.720 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.471 1.051 0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.239 2.704 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.936 1.904 0.999 1.00 0.00 H new ATOM 1253 N MET A 81 -2.599 6.135 2.862 1.00 0.00 N ATOM 1254 CA MET A 81 -2.138 7.324 3.565 1.00 0.00 C ATOM 1255 C MET A 81 -3.282 7.971 4.357 1.00 0.00 C ATOM 1256 O MET A 81 -3.170 8.144 5.564 1.00 0.00 O ATOM 1257 CB MET A 81 -1.495 8.319 2.589 1.00 0.00 C ATOM 1258 CG MET A 81 -2.437 8.870 1.538 1.00 0.00 C ATOM 1259 SD MET A 81 -1.600 9.924 0.336 1.00 0.00 S ATOM 1260 CE MET A 81 -1.021 11.263 1.379 1.00 0.00 C ATOM 0 H MET A 81 -2.595 6.213 1.845 1.00 0.00 H new ATOM 0 HA MET A 81 -1.373 7.023 4.281 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.081 9.151 3.159 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.660 7.829 2.088 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.917 8.042 1.017 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.227 9.440 2.027 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.726 12.108 0.756 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.820 11.571 2.053 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.164 10.925 1.962 1.00 0.00 H new ATOM 1270 N THR A 82 -4.383 8.323 3.698 1.00 0.00 N ATOM 1271 CA THR A 82 -5.502 8.948 4.407 1.00 0.00 C ATOM 1272 C THR A 82 -6.836 8.284 4.076 1.00 0.00 C ATOM 1273 O THR A 82 -7.013 7.724 2.994 1.00 0.00 O ATOM 1274 CB THR A 82 -5.571 10.440 4.080 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.271 10.999 4.017 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.363 11.235 5.096 1.00 0.00 C ATOM 0 H THR A 82 -4.526 8.191 2.697 1.00 0.00 H new ATOM 0 HA THR A 82 -5.321 8.815 5.474 1.00 0.00 H new ATOM 0 HB THR A 82 -6.075 10.504 3.116 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.673 10.505 4.616 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.374 12.286 4.807 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.385 10.859 5.136 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.901 11.134 6.078 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.773 8.352 5.025 1.00 0.00 N ATOM 1285 CA ALA A 83 -9.094 7.758 4.849 1.00 0.00 C ATOM 1286 C ALA A 83 -10.202 8.817 4.867 1.00 0.00 C ATOM 1287 O ALA A 83 -11.223 8.645 5.534 1.00 0.00 O ATOM 1288 CB ALA A 83 -9.350 6.718 5.935 1.00 0.00 C ATOM 0 H ALA A 83 -7.638 8.814 5.924 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.111 7.276 3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.339 6.281 5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.595 5.934 5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.300 7.194 6.914 1.00 0.00 H new ATOM 1294 N HIS A 84 -10.003 9.913 4.136 1.00 0.00 N ATOM 1295 CA HIS A 84 -10.996 10.987 4.082 1.00 0.00 C ATOM 1296 C HIS A 84 -12.165 10.614 3.168 1.00 0.00 C ATOM 1297 O HIS A 84 -12.467 11.328 2.212 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.354 12.292 3.590 1.00 0.00 C ATOM 1299 CG HIS A 84 -9.546 12.132 2.337 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -10.097 12.187 1.073 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -8.219 11.927 2.158 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -9.143 12.019 0.172 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -7.995 11.861 0.805 1.00 0.00 N ATOM 0 H HIS A 84 -9.168 10.081 3.575 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.377 11.133 5.093 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.138 13.028 3.414 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.713 12.690 4.377 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -11.085 12.334 0.866 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -7.475 11.833 2.935 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.280 12.012 -0.899 1.00 0.00 H new ATOM 1312 N SER A 85 -12.817 9.488 3.460 1.00 0.00 N ATOM 1313 CA SER A 85 -13.944 9.034 2.648 1.00 0.00 C ATOM 1314 C SER A 85 -14.831 8.047 3.413 1.00 0.00 C ATOM 1315 O SER A 85 -14.789 7.976 4.641 1.00 0.00 O ATOM 1316 CB SER A 85 -13.430 8.380 1.369 1.00 0.00 C ATOM 1317 OG SER A 85 -12.165 8.903 1.002 1.00 0.00 O ATOM 0 H SER A 85 -12.586 8.879 4.245 1.00 0.00 H new ATOM 0 HA SER A 85 -14.549 9.906 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.354 7.302 1.513 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.143 8.544 0.561 1.00 0.00 H new ATOM 0 HG SER A 85 -11.523 8.169 0.907 1.00 0.00 H new ATOM 1323 N ASP A 86 -15.628 7.280 2.664 1.00 0.00 N ATOM 1324 CA ASP A 86 -16.522 6.287 3.249 1.00 0.00 C ATOM 1325 C ASP A 86 -15.727 5.155 3.897 1.00 0.00 C ATOM 1326 O ASP A 86 -15.416 4.156 3.251 1.00 0.00 O ATOM 1327 CB ASP A 86 -17.453 5.718 2.172 1.00 0.00 C ATOM 1328 CG ASP A 86 -18.885 5.589 2.653 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -19.198 4.580 3.317 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -19.691 6.497 2.364 1.00 0.00 O ATOM 0 H ASP A 86 -15.669 7.331 1.646 1.00 0.00 H new ATOM 0 HA ASP A 86 -17.118 6.776 4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -17.425 6.363 1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -17.088 4.739 1.861 1.00 0.00 H new ATOM 1335 N LEU A 87 -15.411 5.317 5.179 1.00 0.00 N ATOM 1336 CA LEU A 87 -14.650 4.315 5.933 1.00 0.00 C ATOM 1337 C LEU A 87 -15.146 2.888 5.673 1.00 0.00 C ATOM 1338 O LEU A 87 -14.419 1.922 5.903 1.00 0.00 O ATOM 1339 CB LEU A 87 -14.715 4.620 7.434 1.00 0.00 C ATOM 1340 CG LEU A 87 -13.359 4.716 8.138 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.720 3.341 8.264 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -12.437 5.670 7.396 1.00 0.00 C ATOM 0 H LEU A 87 -15.671 6.139 5.725 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.618 4.372 5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.247 5.561 7.575 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.305 3.844 7.921 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.522 5.109 9.141 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.757 3.432 8.767 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.372 2.688 8.844 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.572 2.916 7.271 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.478 5.725 7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.282 5.309 6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.889 6.661 7.364 1.00 0.00 H new ATOM 1354 N ASP A 88 -16.384 2.765 5.208 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.983 1.458 4.940 1.00 0.00 C ATOM 1356 C ASP A 88 -16.050 0.557 4.128 1.00 0.00 C ATOM 1357 O ASP A 88 -15.770 -0.574 4.532 1.00 0.00 O ATOM 1358 CB ASP A 88 -18.306 1.636 4.191 1.00 0.00 C ATOM 1359 CG ASP A 88 -19.501 1.655 5.123 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -19.720 2.689 5.789 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -20.222 0.635 5.185 1.00 0.00 O ATOM 0 H ASP A 88 -16.996 3.556 5.007 1.00 0.00 H new ATOM 0 HA ASP A 88 -17.161 0.974 5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -18.277 2.566 3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.424 0.827 3.470 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.573 1.046 2.985 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.681 0.255 2.139 1.00 0.00 C ATOM 1368 C ALA A 89 -13.340 0.006 2.822 1.00 0.00 C ATOM 1369 O ALA A 89 -12.625 -0.936 2.477 1.00 0.00 O ATOM 1370 CB ALA A 89 -14.475 0.930 0.787 1.00 0.00 C ATOM 0 H ALA A 89 -15.786 1.977 2.626 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.157 -0.712 1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.808 0.323 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -15.435 1.035 0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -14.034 1.916 0.936 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.998 0.854 3.787 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.738 0.721 4.512 1.00 0.00 C ATOM 1378 C ALA A 90 -11.817 -0.396 5.539 1.00 0.00 C ATOM 1379 O ALA A 90 -10.887 -1.187 5.680 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.360 2.030 5.190 1.00 0.00 C ATOM 0 H ALA A 90 -13.575 1.640 4.085 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.964 0.470 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.418 1.905 5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.250 2.811 4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.141 2.313 5.895 1.00 0.00 H new ATOM 1386 N VAL A 91 -12.935 -0.459 6.253 1.00 0.00 N ATOM 1387 CA VAL A 91 -13.118 -1.491 7.260 1.00 0.00 C ATOM 1388 C VAL A 91 -13.156 -2.863 6.606 1.00 0.00 C ATOM 1389 O VAL A 91 -12.566 -3.820 7.110 1.00 0.00 O ATOM 1390 CB VAL A 91 -14.400 -1.287 8.090 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -14.396 -2.224 9.287 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -14.531 0.160 8.543 1.00 0.00 C ATOM 0 H VAL A 91 -13.719 0.186 6.154 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.268 -1.421 7.939 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.260 -1.519 7.462 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -15.305 -2.074 9.869 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -14.353 -3.257 8.941 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.527 -2.014 9.911 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -15.444 0.277 9.127 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.671 0.428 9.156 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.572 0.812 7.671 1.00 0.00 H new ATOM 1402 N SER A 92 -13.838 -2.947 5.469 1.00 0.00 N ATOM 1403 CA SER A 92 -13.934 -4.199 4.731 1.00 0.00 C ATOM 1404 C SER A 92 -12.548 -4.658 4.307 1.00 0.00 C ATOM 1405 O SER A 92 -12.247 -5.852 4.295 1.00 0.00 O ATOM 1406 CB SER A 92 -14.823 -4.026 3.499 1.00 0.00 C ATOM 1407 OG SER A 92 -16.193 -3.981 3.857 1.00 0.00 O ATOM 0 H SER A 92 -14.331 -2.164 5.040 1.00 0.00 H new ATOM 0 HA SER A 92 -14.379 -4.953 5.380 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.551 -3.109 2.977 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.653 -4.850 2.806 1.00 0.00 H new ATOM 0 HG SER A 92 -16.738 -3.868 3.051 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.702 -3.692 3.968 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.340 -3.988 3.550 1.00 0.00 C ATOM 1415 C ALA A 93 -9.619 -4.801 4.611 1.00 0.00 C ATOM 1416 O ALA A 93 -8.958 -5.792 4.310 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.588 -2.701 3.254 1.00 0.00 C ATOM 0 H ALA A 93 -11.936 -2.699 3.975 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.379 -4.582 2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.571 -2.937 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.095 -2.159 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.558 -2.082 4.151 1.00 0.00 H new ATOM 1423 N TYR A 94 -9.763 -4.381 5.854 1.00 0.00 N ATOM 1424 CA TYR A 94 -9.133 -5.076 6.972 1.00 0.00 C ATOM 1425 C TYR A 94 -9.534 -6.549 6.981 1.00 0.00 C ATOM 1426 O TYR A 94 -8.809 -7.399 7.499 1.00 0.00 O ATOM 1427 CB TYR A 94 -9.516 -4.418 8.301 1.00 0.00 C ATOM 1428 CG TYR A 94 -9.368 -2.911 8.297 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -8.332 -2.295 7.608 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -10.271 -2.105 8.981 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -8.199 -0.919 7.598 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -10.144 -0.729 8.975 1.00 0.00 C ATOM 1433 CZ TYR A 94 -9.109 -0.141 8.282 1.00 0.00 C ATOM 1434 OH TYR A 94 -8.982 1.230 8.273 1.00 0.00 O ATOM 0 H TYR A 94 -10.310 -3.562 6.120 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.052 -5.008 6.849 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -10.549 -4.672 8.538 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.895 -4.833 9.095 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.618 -2.901 7.071 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -11.084 -2.561 9.526 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.387 -0.456 7.057 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -10.854 -0.117 9.512 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.704 1.629 8.802 1.00 0.00 H new ATOM 1444 N GLN A 95 -10.690 -6.839 6.393 1.00 0.00 N ATOM 1445 CA GLN A 95 -11.190 -8.209 6.324 1.00 0.00 C ATOM 1446 C GLN A 95 -10.368 -9.025 5.326 1.00 0.00 C ATOM 1447 O GLN A 95 -10.052 -10.190 5.568 1.00 0.00 O ATOM 1448 CB GLN A 95 -12.685 -8.216 5.946 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.985 -8.575 4.491 1.00 0.00 C ATOM 1450 CD GLN A 95 -14.137 -7.780 3.915 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.955 -7.284 2.696 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -15.176 -7.613 4.553 1.00 0.00 N flip ATOM 0 H GLN A 95 -11.298 -6.145 5.958 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.087 -8.671 7.306 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.204 -8.924 6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.101 -7.230 6.154 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.093 -8.403 3.888 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.214 -9.638 4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.271 -8.013 5.487 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -15.942 -7.075 4.148 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.035 -8.398 4.202 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.262 -9.049 3.156 1.00 0.00 C ATOM 1463 C GLN A 96 -7.785 -9.149 3.530 1.00 0.00 C ATOM 1464 O GLN A 96 -7.046 -9.938 2.945 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.417 -8.284 1.839 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.715 -6.935 1.837 1.00 0.00 C ATOM 1467 CD GLN A 96 -7.798 -6.752 0.647 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -7.925 -5.614 -0.024 1.00 0.00 O flip ATOM 1469 NE2 GLN A 96 -6.984 -7.620 0.336 1.00 0.00 N flip ATOM 0 H GLN A 96 -10.292 -7.433 3.994 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.646 -10.062 3.037 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.021 -8.892 1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.478 -8.133 1.638 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.463 -6.142 1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.137 -6.830 2.755 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.922 -8.480 0.881 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.371 -7.480 -0.467 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.356 -8.346 4.501 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.965 -8.378 4.918 1.00 0.00 C ATOM 1480 C GLY A 97 -5.347 -6.997 5.076 1.00 0.00 C ATOM 1481 O GLY A 97 -4.229 -6.875 5.573 1.00 0.00 O ATOM 0 H GLY A 97 -7.942 -7.679 5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.890 -8.911 5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.388 -8.944 4.187 1.00 0.00 H new ATOM 1485 N ALA A 98 -6.064 -5.954 4.652 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.558 -4.582 4.755 1.00 0.00 C ATOM 1487 C ALA A 98 -4.905 -4.327 6.110 1.00 0.00 C ATOM 1488 O ALA A 98 -5.354 -4.849 7.130 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.676 -3.580 4.516 1.00 0.00 C ATOM 0 H ALA A 98 -6.992 -6.031 4.236 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.797 -4.454 3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.281 -2.567 4.597 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.091 -3.729 3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.459 -3.724 5.260 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.837 -3.531 6.118 1.00 0.00 N ATOM 1496 CA PHE A 99 -3.134 -3.230 7.357 1.00 0.00 C ATOM 1497 C PHE A 99 -3.846 -2.134 8.144 1.00 0.00 C ATOM 1498 O PHE A 99 -4.182 -2.327 9.311 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.689 -2.813 7.066 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.843 -2.654 8.301 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.642 -3.721 9.163 1.00 0.00 C ATOM 1502 CD2 PHE A 99 -0.248 -1.437 8.598 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.136 -3.578 10.297 1.00 0.00 C ATOM 1504 CE2 PHE A 99 0.530 -1.289 9.731 1.00 0.00 C ATOM 1505 CZ PHE A 99 0.722 -2.361 10.581 1.00 0.00 C ATOM 0 H PHE A 99 -3.445 -3.088 5.287 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.127 -4.136 7.964 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.230 -3.557 6.415 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.696 -1.871 6.518 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.099 -4.675 8.946 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.394 -0.596 7.937 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.285 -4.418 10.960 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.987 -0.336 9.952 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.330 -2.247 11.466 1.00 0.00 H new ATOM 1515 N ASP A 100 -4.085 -0.985 7.502 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.773 0.134 8.163 1.00 0.00 C ATOM 1517 C ASP A 100 -4.642 1.427 7.359 1.00 0.00 C ATOM 1518 O ASP A 100 -4.196 1.419 6.211 1.00 0.00 O ATOM 1519 CB ASP A 100 -4.216 0.349 9.579 1.00 0.00 C ATOM 1520 CG ASP A 100 -5.255 0.105 10.654 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -6.069 -0.828 10.494 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -5.256 0.849 11.657 1.00 0.00 O ATOM 0 H ASP A 100 -3.816 -0.804 6.535 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.830 -0.126 8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -3.369 -0.319 9.738 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.839 1.368 9.667 1.00 0.00 H new ATOM 1527 N TYR A 101 -5.018 2.542 7.988 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.929 3.857 7.356 1.00 0.00 C ATOM 1529 C TYR A 101 -3.974 4.749 8.155 1.00 0.00 C ATOM 1530 O TYR A 101 -3.788 4.550 9.356 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.316 4.504 7.249 1.00 0.00 C ATOM 1532 CG TYR A 101 -7.025 4.204 5.947 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.648 2.981 5.728 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.072 5.154 4.937 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -8.298 2.717 4.535 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.719 4.897 3.742 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.331 3.677 3.546 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.979 3.414 2.359 1.00 0.00 O ATOM 0 H TYR A 101 -5.388 2.559 8.938 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.539 3.738 6.345 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.934 4.158 8.078 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.213 5.584 7.357 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.625 2.226 6.500 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.595 6.111 5.087 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.778 1.762 4.379 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.745 5.648 2.966 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.717 2.790 2.521 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.349 5.711 7.483 1.00 0.00 N ATOM 1549 CA LEU A 102 -2.389 6.604 8.125 1.00 0.00 C ATOM 1550 C LEU A 102 -3.005 7.980 8.411 1.00 0.00 C ATOM 1551 O LEU A 102 -3.832 8.473 7.647 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.168 6.735 7.212 1.00 0.00 C ATOM 1553 CG LEU A 102 0.079 7.368 7.824 1.00 0.00 C ATOM 1554 CD1 LEU A 102 0.697 6.454 8.869 1.00 0.00 C ATOM 1555 CD2 LEU A 102 1.084 7.673 6.728 1.00 0.00 C ATOM 0 H LEU A 102 -3.491 5.893 6.489 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.094 6.185 9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.904 5.741 6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.456 7.323 6.341 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.208 8.296 8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.584 6.929 9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.026 6.268 9.663 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.977 5.508 8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.974 8.125 7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.359 6.749 6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.642 8.364 6.011 1.00 0.00 H new ATOM 1567 N PRO A 103 -2.622 8.615 9.537 1.00 0.00 N ATOM 1568 CA PRO A 103 -3.152 9.927 9.921 1.00 0.00 C ATOM 1569 C PRO A 103 -2.476 11.086 9.181 1.00 0.00 C ATOM 1570 O PRO A 103 -1.873 10.894 8.125 1.00 0.00 O ATOM 1571 CB PRO A 103 -2.851 9.989 11.418 1.00 0.00 C ATOM 1572 CG PRO A 103 -1.621 9.166 11.593 1.00 0.00 C ATOM 1573 CD PRO A 103 -1.665 8.096 10.534 1.00 0.00 C ATOM 0 HA PRO A 103 -4.208 10.030 9.673 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.690 11.016 11.747 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.679 9.592 12.005 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -0.726 9.779 11.487 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.589 8.724 12.589 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.682 7.930 10.094 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.995 7.142 10.945 1.00 0.00 H new ATOM 1581 N LYS A 104 -2.601 12.288 9.742 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.028 13.500 9.149 1.00 0.00 C ATOM 1583 C LYS A 104 -0.613 13.290 8.595 1.00 0.00 C ATOM 1584 O LYS A 104 -0.354 13.602 7.434 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.019 14.635 10.178 1.00 0.00 C ATOM 1586 CG LYS A 104 -2.863 15.836 9.770 1.00 0.00 C ATOM 1587 CD LYS A 104 -4.029 16.058 10.725 1.00 0.00 C ATOM 1588 CE LYS A 104 -4.176 17.526 11.103 1.00 0.00 C ATOM 1589 NZ LYS A 104 -5.458 18.106 10.610 1.00 0.00 N ATOM 0 H LYS A 104 -3.100 12.451 10.617 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.663 13.763 8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.384 14.253 11.131 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.991 14.961 10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.238 16.728 9.746 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.244 15.686 8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.951 15.708 10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.880 15.463 11.626 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.126 17.628 12.187 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.340 18.092 10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.517 19.106 10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.496 18.033 9.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.257 17.584 11.023 1.00 0.00 H new ATOM 1603 N PRO A 105 0.333 12.778 9.406 1.00 0.00 N ATOM 1604 CA PRO A 105 1.715 12.562 8.953 1.00 0.00 C ATOM 1605 C PRO A 105 1.794 11.615 7.757 1.00 0.00 C ATOM 1606 O PRO A 105 0.891 10.810 7.537 1.00 0.00 O ATOM 1607 CB PRO A 105 2.414 11.957 10.176 1.00 0.00 C ATOM 1608 CG PRO A 105 1.313 11.462 11.050 1.00 0.00 C ATOM 1609 CD PRO A 105 0.151 12.383 10.812 1.00 0.00 C ATOM 0 HA PRO A 105 2.176 13.488 8.609 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.082 11.146 9.887 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.021 12.702 10.691 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.052 10.433 10.804 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.612 11.473 12.098 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.803 11.880 10.971 1.00 0.00 H new ATOM 0 HD3 PRO A 105 0.173 13.244 11.480 1.00 0.00 H new ATOM 1617 N PHE A 106 2.878 11.721 6.987 1.00 0.00 N ATOM 1618 CA PHE A 106 3.071 10.873 5.812 1.00 0.00 C ATOM 1619 C PHE A 106 4.548 10.775 5.440 1.00 0.00 C ATOM 1620 O PHE A 106 5.324 10.144 6.151 1.00 0.00 O ATOM 1621 CB PHE A 106 2.253 11.404 4.630 1.00 0.00 C ATOM 1622 CG PHE A 106 0.784 11.333 4.875 1.00 0.00 C ATOM 1623 CD1 PHE A 106 0.166 10.111 5.048 1.00 0.00 C ATOM 1624 CD2 PHE A 106 0.031 12.490 4.976 1.00 0.00 C ATOM 1625 CE1 PHE A 106 -1.180 10.045 5.320 1.00 0.00 C ATOM 1626 CE2 PHE A 106 -1.321 12.427 5.237 1.00 0.00 C ATOM 1627 CZ PHE A 106 -1.929 11.201 5.412 1.00 0.00 C ATOM 0 H PHE A 106 3.634 12.385 7.156 1.00 0.00 H new ATOM 0 HA PHE A 106 2.720 9.871 6.058 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.536 12.438 4.432 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.497 10.830 3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.743 9.202 4.969 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.507 13.451 4.849 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -1.653 9.085 5.462 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.903 13.335 5.304 1.00 0.00 H new ATOM 0 HZ PHE A 106 -2.987 11.146 5.620 1.00 0.00 H new ATOM 1637 N ASP A 107 4.938 11.395 4.324 1.00 0.00 N ATOM 1638 CA ASP A 107 6.324 11.358 3.871 1.00 0.00 C ATOM 1639 C ASP A 107 6.901 9.948 3.970 1.00 0.00 C ATOM 1640 O ASP A 107 6.223 9.008 4.372 1.00 0.00 O ATOM 1641 CB ASP A 107 7.182 12.332 4.686 1.00 0.00 C ATOM 1642 CG ASP A 107 7.332 11.910 6.135 1.00 0.00 C ATOM 1643 OD1 ASP A 107 7.935 10.845 6.383 1.00 0.00 O ATOM 1644 OD2 ASP A 107 6.846 12.644 7.021 1.00 0.00 O ATOM 0 H ASP A 107 4.312 11.927 3.720 1.00 0.00 H new ATOM 0 HA ASP A 107 6.338 11.661 2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 107 8.169 12.409 4.230 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.734 13.325 4.646 1.00 0.00 H new ATOM 1649 N ILE A 108 8.156 9.815 3.592 1.00 0.00 N ATOM 1650 CA ILE A 108 8.836 8.533 3.627 1.00 0.00 C ATOM 1651 C ILE A 108 8.976 7.995 5.034 1.00 0.00 C ATOM 1652 O ILE A 108 8.613 6.858 5.325 1.00 0.00 O ATOM 1653 CB ILE A 108 10.224 8.658 2.999 1.00 0.00 C ATOM 1654 CG1 ILE A 108 11.017 7.357 3.096 1.00 0.00 C ATOM 1655 CG2 ILE A 108 10.969 9.785 3.641 1.00 0.00 C ATOM 1656 CD1 ILE A 108 11.173 6.671 1.764 1.00 0.00 C ATOM 0 H ILE A 108 8.732 10.586 3.254 1.00 0.00 H new ATOM 0 HA ILE A 108 8.224 7.833 3.058 1.00 0.00 H new ATOM 0 HB ILE A 108 10.095 8.870 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.003 7.567 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.517 6.682 3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.958 9.871 3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.421 10.715 3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.072 9.591 4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.745 5.752 1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.189 6.433 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.698 7.331 1.074 1.00 0.00 H new ATOM 1668 N ASP A 109 9.537 8.815 5.885 1.00 0.00 N ATOM 1669 CA ASP A 109 9.784 8.433 7.270 1.00 0.00 C ATOM 1670 C ASP A 109 8.544 7.824 7.925 1.00 0.00 C ATOM 1671 O ASP A 109 8.617 6.738 8.485 1.00 0.00 O ATOM 1672 CB ASP A 109 10.264 9.639 8.082 1.00 0.00 C ATOM 1673 CG ASP A 109 11.778 9.730 8.133 1.00 0.00 C ATOM 1674 OD1 ASP A 109 12.422 9.509 7.084 1.00 0.00 O ATOM 1675 OD2 ASP A 109 12.319 10.021 9.220 1.00 0.00 O ATOM 0 H ASP A 109 9.837 9.761 5.650 1.00 0.00 H new ATOM 0 HA ASP A 109 10.564 7.671 7.260 1.00 0.00 H new ATOM 0 HB2 ASP A 109 9.861 10.553 7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 109 9.871 9.571 9.097 1.00 0.00 H new ATOM 1680 N GLU A 110 7.414 8.522 7.866 1.00 0.00 N ATOM 1681 CA GLU A 110 6.187 8.034 8.476 1.00 0.00 C ATOM 1682 C GLU A 110 5.460 7.023 7.593 1.00 0.00 C ATOM 1683 O GLU A 110 4.746 6.157 8.103 1.00 0.00 O ATOM 1684 CB GLU A 110 5.253 9.197 8.813 1.00 0.00 C ATOM 1685 CG GLU A 110 5.916 10.297 9.624 1.00 0.00 C ATOM 1686 CD GLU A 110 5.616 10.189 11.104 1.00 0.00 C ATOM 1687 OE1 GLU A 110 4.497 10.568 11.512 1.00 0.00 O ATOM 1688 OE2 GLU A 110 6.497 9.724 11.856 1.00 0.00 O ATOM 0 H GLU A 110 7.325 9.426 7.402 1.00 0.00 H new ATOM 0 HA GLU A 110 6.475 7.522 9.394 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.868 9.623 7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 110 4.396 8.814 9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.995 10.256 9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.579 11.267 9.258 1.00 0.00 H new ATOM 1695 N ALA A 111 5.635 7.120 6.280 1.00 0.00 N ATOM 1696 CA ALA A 111 4.974 6.189 5.379 1.00 0.00 C ATOM 1697 C ALA A 111 5.684 4.844 5.398 1.00 0.00 C ATOM 1698 O ALA A 111 5.073 3.815 5.682 1.00 0.00 O ATOM 1699 CB ALA A 111 4.890 6.750 3.968 1.00 0.00 C ATOM 0 H ALA A 111 6.218 7.821 5.824 1.00 0.00 H new ATOM 0 HA ALA A 111 3.952 6.042 5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.391 6.030 3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.324 7.681 3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.895 6.941 3.592 1.00 0.00 H new ATOM 1705 N VAL A 112 6.986 4.857 5.123 1.00 0.00 N ATOM 1706 CA VAL A 112 7.767 3.629 5.145 1.00 0.00 C ATOM 1707 C VAL A 112 7.693 2.988 6.523 1.00 0.00 C ATOM 1708 O VAL A 112 7.759 1.768 6.669 1.00 0.00 O ATOM 1709 CB VAL A 112 9.241 3.875 4.796 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.008 2.562 4.797 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.363 4.563 3.452 1.00 0.00 C ATOM 0 H VAL A 112 7.515 5.696 4.885 1.00 0.00 H new ATOM 0 HA VAL A 112 7.341 2.967 4.392 1.00 0.00 H new ATOM 0 HB VAL A 112 9.673 4.529 5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.052 2.750 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 112 9.947 2.106 5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.575 1.887 4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.416 4.729 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.918 3.935 2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.844 5.521 3.485 1.00 0.00 H new ATOM 1721 N ALA A 113 7.548 3.825 7.531 1.00 0.00 N ATOM 1722 CA ALA A 113 7.449 3.351 8.899 1.00 0.00 C ATOM 1723 C ALA A 113 6.224 2.473 9.072 1.00 0.00 C ATOM 1724 O ALA A 113 6.283 1.402 9.677 1.00 0.00 O ATOM 1725 CB ALA A 113 7.356 4.523 9.850 1.00 0.00 C ATOM 0 H ALA A 113 7.496 4.839 7.429 1.00 0.00 H new ATOM 0 HA ALA A 113 8.342 2.768 9.122 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.282 4.156 10.874 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.246 5.144 9.751 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.472 5.115 9.612 1.00 0.00 H new ATOM 1731 N LEU A 114 5.106 2.958 8.550 1.00 0.00 N ATOM 1732 CA LEU A 114 3.844 2.252 8.654 1.00 0.00 C ATOM 1733 C LEU A 114 3.809 1.009 7.778 1.00 0.00 C ATOM 1734 O LEU A 114 3.083 0.058 8.067 1.00 0.00 O ATOM 1735 CB LEU A 114 2.692 3.185 8.284 1.00 0.00 C ATOM 1736 CG LEU A 114 1.300 2.561 8.383 1.00 0.00 C ATOM 1737 CD1 LEU A 114 0.871 2.450 9.837 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.295 3.380 7.586 1.00 0.00 C ATOM 0 H LEU A 114 5.051 3.844 8.048 1.00 0.00 H new ATOM 0 HA LEU A 114 3.735 1.926 9.688 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.729 4.059 8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 114 2.844 3.539 7.264 1.00 0.00 H new ATOM 0 HG LEU A 114 1.337 1.557 7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.122 2.004 9.890 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.580 1.824 10.379 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.847 3.443 10.286 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.692 2.923 7.666 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.258 4.395 7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.598 3.409 6.539 1.00 0.00 H new ATOM 1750 N VAL A 115 4.584 1.016 6.704 1.00 0.00 N ATOM 1751 CA VAL A 115 4.617 -0.128 5.799 1.00 0.00 C ATOM 1752 C VAL A 115 5.491 -1.250 6.346 1.00 0.00 C ATOM 1753 O VAL A 115 5.155 -2.429 6.226 1.00 0.00 O ATOM 1754 CB VAL A 115 5.087 0.257 4.378 1.00 0.00 C ATOM 1755 CG1 VAL A 115 6.595 0.432 4.327 1.00 0.00 C ATOM 1756 CG2 VAL A 115 4.633 -0.789 3.369 1.00 0.00 C ATOM 0 H VAL A 115 5.193 1.790 6.438 1.00 0.00 H new ATOM 0 HA VAL A 115 3.590 -0.485 5.727 1.00 0.00 H new ATOM 0 HB VAL A 115 4.632 1.213 4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.896 0.703 3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.893 1.221 5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.080 -0.502 4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.971 -0.504 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.057 -1.758 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 115 3.545 -0.855 3.378 1.00 0.00 H new ATOM 1766 N GLU A 116 6.620 -0.875 6.937 1.00 0.00 N ATOM 1767 CA GLU A 116 7.549 -1.850 7.491 1.00 0.00 C ATOM 1768 C GLU A 116 6.947 -2.566 8.695 1.00 0.00 C ATOM 1769 O GLU A 116 7.059 -3.785 8.819 1.00 0.00 O ATOM 1770 CB GLU A 116 8.860 -1.169 7.883 1.00 0.00 C ATOM 1771 CG GLU A 116 9.718 -0.782 6.688 1.00 0.00 C ATOM 1772 CD GLU A 116 11.028 -0.133 7.091 1.00 0.00 C ATOM 1773 OE1 GLU A 116 11.086 0.452 8.193 1.00 0.00 O ATOM 1774 OE2 GLU A 116 11.994 -0.208 6.304 1.00 0.00 O ATOM 0 H GLU A 116 6.913 0.096 7.044 1.00 0.00 H new ATOM 0 HA GLU A 116 7.751 -2.596 6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 116 8.637 -0.275 8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.429 -1.837 8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 116 9.926 -1.671 6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.159 -0.096 6.052 1.00 0.00 H new ATOM 1781 N ARG A 117 6.304 -1.810 9.580 1.00 0.00 N ATOM 1782 CA ARG A 117 5.688 -2.396 10.765 1.00 0.00 C ATOM 1783 C ARG A 117 4.625 -3.421 10.374 1.00 0.00 C ATOM 1784 O ARG A 117 4.311 -4.326 11.148 1.00 0.00 O ATOM 1785 CB ARG A 117 5.094 -1.312 11.672 1.00 0.00 C ATOM 1786 CG ARG A 117 3.926 -0.553 11.065 1.00 0.00 C ATOM 1787 CD ARG A 117 3.570 0.668 11.903 1.00 0.00 C ATOM 1788 NE ARG A 117 2.442 0.421 12.799 1.00 0.00 N ATOM 1789 CZ ARG A 117 1.751 1.393 13.396 1.00 0.00 C ATOM 1790 NH1 ARG A 117 2.080 2.664 13.200 1.00 0.00 N ATOM 1791 NH2 ARG A 117 0.733 1.095 14.192 1.00 0.00 N ATOM 0 H ARG A 117 6.197 -0.799 9.500 1.00 0.00 H new ATOM 0 HA ARG A 117 6.467 -2.912 11.327 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.766 -1.775 12.603 1.00 0.00 H new ATOM 0 HB3 ARG A 117 5.879 -0.601 11.929 1.00 0.00 H new ATOM 0 HG2 ARG A 117 4.178 -0.241 10.051 1.00 0.00 H new ATOM 0 HG3 ARG A 117 3.060 -1.211 10.990 1.00 0.00 H new ATOM 0 HD2 ARG A 117 4.438 0.967 12.490 1.00 0.00 H new ATOM 0 HD3 ARG A 117 3.330 1.501 11.242 1.00 0.00 H new ATOM 0 HE ARG A 117 2.169 -0.546 12.977 1.00 0.00 H new ATOM 0 HH11 ARG A 117 2.864 2.900 12.591 1.00 0.00 H new ATOM 0 HH12 ARG A 117 1.549 3.405 13.658 1.00 0.00 H new ATOM 0 HH21 ARG A 117 0.477 0.120 14.349 1.00 0.00 H new ATOM 0 HH22 ARG A 117 0.206 1.841 14.647 1.00 0.00 H new ATOM 1805 N ALA A 118 4.088 -3.282 9.167 1.00 0.00 N ATOM 1806 CA ALA A 118 3.077 -4.204 8.669 1.00 0.00 C ATOM 1807 C ALA A 118 3.697 -5.557 8.334 1.00 0.00 C ATOM 1808 O ALA A 118 3.206 -6.600 8.768 1.00 0.00 O ATOM 1809 CB ALA A 118 2.383 -3.628 7.442 1.00 0.00 C ATOM 0 H ALA A 118 4.337 -2.538 8.515 1.00 0.00 H new ATOM 0 HA ALA A 118 2.335 -4.347 9.455 1.00 0.00 H new ATOM 0 HB1 ALA A 118 1.631 -4.332 7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.902 -2.686 7.705 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.118 -3.453 6.657 1.00 0.00 H new ATOM 1815 N ILE A 119 4.783 -5.529 7.566 1.00 0.00 N ATOM 1816 CA ILE A 119 5.479 -6.747 7.179 1.00 0.00 C ATOM 1817 C ILE A 119 6.174 -7.372 8.379 1.00 0.00 C ATOM 1818 O ILE A 119 6.272 -8.593 8.496 1.00 0.00 O ATOM 1819 CB ILE A 119 6.530 -6.462 6.087 1.00 0.00 C ATOM 1820 CG1 ILE A 119 5.944 -5.579 4.985 1.00 0.00 C ATOM 1821 CG2 ILE A 119 7.061 -7.758 5.495 1.00 0.00 C ATOM 1822 CD1 ILE A 119 6.931 -4.572 4.450 1.00 0.00 C ATOM 0 H ILE A 119 5.199 -4.673 7.200 1.00 0.00 H new ATOM 0 HA ILE A 119 4.733 -7.438 6.787 1.00 0.00 H new ATOM 0 HB ILE A 119 7.359 -5.929 6.553 1.00 0.00 H new ATOM 0 HG12 ILE A 119 5.598 -6.210 4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 119 5.072 -5.054 5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 119 7.801 -7.531 4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 119 7.525 -8.354 6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.239 -8.319 5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 119 6.456 -3.975 3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 119 7.258 -3.919 5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 119 7.793 -5.093 4.033 1.00 0.00 H new ATOM 1834 N SER A 120 6.655 -6.513 9.262 1.00 0.00 N ATOM 1835 CA SER A 120 7.350 -6.945 10.468 1.00 0.00 C ATOM 1836 C SER A 120 6.421 -7.740 11.379 1.00 0.00 C ATOM 1837 O SER A 120 6.831 -8.725 11.994 1.00 0.00 O ATOM 1838 CB SER A 120 7.904 -5.732 11.215 1.00 0.00 C ATOM 1839 OG SER A 120 8.929 -6.109 12.117 1.00 0.00 O ATOM 0 H SER A 120 6.577 -5.501 9.166 1.00 0.00 H new ATOM 0 HA SER A 120 8.175 -7.593 10.173 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.294 -5.008 10.499 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.099 -5.239 11.761 1.00 0.00 H new ATOM 0 HG SER A 120 9.266 -5.314 12.580 1.00 0.00 H new ATOM 1845 N HIS A 121 5.169 -7.303 11.464 1.00 0.00 N ATOM 1846 CA HIS A 121 4.181 -7.971 12.301 1.00 0.00 C ATOM 1847 C HIS A 121 3.946 -9.402 11.835 1.00 0.00 C ATOM 1848 O HIS A 121 3.620 -10.282 12.632 1.00 0.00 O ATOM 1849 CB HIS A 121 2.865 -7.191 12.291 1.00 0.00 C ATOM 1850 CG HIS A 121 2.823 -6.081 13.295 1.00 0.00 C ATOM 1851 ND1 HIS A 121 3.920 -5.691 14.031 1.00 0.00 N ATOM 1852 CD2 HIS A 121 1.805 -5.274 13.682 1.00 0.00 C ATOM 1853 CE1 HIS A 121 3.581 -4.694 14.830 1.00 0.00 C ATOM 1854 NE2 HIS A 121 2.303 -4.422 14.636 1.00 0.00 N ATOM 0 H HIS A 121 4.815 -6.488 10.963 1.00 0.00 H new ATOM 0 HA HIS A 121 4.567 -8.004 13.320 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.705 -6.777 11.296 1.00 0.00 H new ATOM 0 HB3 HIS A 121 2.042 -7.879 12.486 1.00 0.00 H new ATOM 0 HD2 HIS A 121 0.792 -5.297 13.309 1.00 0.00 H new ATOM 0 HE1 HIS A 121 4.237 -4.188 15.523 1.00 0.00 H new ATOM 0 HE2 HIS A 121 1.772 -3.696 15.117 1.00 0.00 H new ATOM 1863 N TYR A 122 4.117 -9.624 10.539 1.00 0.00 N ATOM 1864 CA TYR A 122 3.930 -10.945 9.955 1.00 0.00 C ATOM 1865 C TYR A 122 5.113 -11.855 10.275 1.00 0.00 C ATOM 1866 O TYR A 122 4.935 -12.959 10.793 1.00 0.00 O ATOM 1867 CB TYR A 122 3.744 -10.833 8.441 1.00 0.00 C ATOM 1868 CG TYR A 122 2.336 -10.457 8.035 1.00 0.00 C ATOM 1869 CD1 TYR A 122 1.287 -11.356 8.187 1.00 0.00 C ATOM 1870 CD2 TYR A 122 2.057 -9.206 7.503 1.00 0.00 C ATOM 1871 CE1 TYR A 122 -0.002 -11.016 7.817 1.00 0.00 C ATOM 1872 CE2 TYR A 122 0.772 -8.859 7.132 1.00 0.00 C ATOM 1873 CZ TYR A 122 -0.254 -9.767 7.290 1.00 0.00 C ATOM 1874 OH TYR A 122 -1.536 -9.425 6.920 1.00 0.00 O ATOM 0 H TYR A 122 4.386 -8.903 9.870 1.00 0.00 H new ATOM 0 HA TYR A 122 3.033 -11.386 10.390 1.00 0.00 H new ATOM 0 HB2 TYR A 122 4.438 -10.088 8.051 1.00 0.00 H new ATOM 0 HB3 TYR A 122 4.006 -11.785 7.979 1.00 0.00 H new ATOM 0 HD1 TYR A 122 1.481 -12.335 8.600 1.00 0.00 H new ATOM 0 HD2 TYR A 122 2.857 -8.492 7.377 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -0.807 -11.725 7.940 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.572 -7.881 6.720 1.00 0.00 H new ATOM 0 HH TYR A 122 -1.770 -8.559 7.314 1.00 0.00 H new ATOM 1884 N GLN A 123 6.320 -11.389 9.966 1.00 0.00 N ATOM 1885 CA GLN A 123 7.529 -12.161 10.221 1.00 0.00 C ATOM 1886 C GLN A 123 7.882 -12.148 11.705 1.00 0.00 C ATOM 1887 O GLN A 123 7.297 -11.396 12.486 1.00 0.00 O ATOM 1888 CB GLN A 123 8.699 -11.608 9.407 1.00 0.00 C ATOM 1889 CG GLN A 123 9.579 -12.686 8.791 1.00 0.00 C ATOM 1890 CD GLN A 123 9.592 -12.630 7.277 1.00 0.00 C ATOM 1891 OE1 GLN A 123 9.600 -13.797 6.644 1.00 0.00 O flip ATOM 1892 NE2 GLN A 123 9.599 -11.552 6.683 1.00 0.00 N flip ATOM 0 H GLN A 123 6.485 -10.478 9.538 1.00 0.00 H new ATOM 0 HA GLN A 123 7.338 -13.190 9.918 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.309 -10.972 8.612 1.00 0.00 H new ATOM 0 HB3 GLN A 123 9.311 -10.976 10.050 1.00 0.00 H new ATOM 0 HG2 GLN A 123 10.597 -12.576 9.164 1.00 0.00 H new ATOM 0 HG3 GLN A 123 9.226 -13.666 9.112 1.00 0.00 H new ATOM 0 HE21 GLN A 123 9.592 -10.679 7.210 1.00 0.00 H new ATOM 0 HE22 GLN A 123 9.611 -11.532 5.663 1.00 0.00 H new ATOM 1901 N GLU A 124 8.844 -12.981 12.087 1.00 0.00 N ATOM 1902 CA GLU A 124 9.277 -13.064 13.476 1.00 0.00 C ATOM 1903 C GLU A 124 8.120 -13.472 14.382 1.00 0.00 C ATOM 1904 O GLU A 124 8.097 -14.580 14.919 1.00 0.00 O ATOM 1905 CB GLU A 124 9.851 -11.725 13.936 1.00 0.00 C ATOM 1906 CG GLU A 124 10.973 -11.206 13.052 1.00 0.00 C ATOM 1907 CD GLU A 124 12.334 -11.730 13.466 1.00 0.00 C ATOM 1908 OE1 GLU A 124 12.907 -11.191 14.437 1.00 0.00 O ATOM 1909 OE2 GLU A 124 12.827 -12.678 12.820 1.00 0.00 O ATOM 0 H GLU A 124 9.339 -13.609 11.453 1.00 0.00 H new ATOM 0 HA GLU A 124 10.054 -13.825 13.542 1.00 0.00 H new ATOM 0 HB2 GLU A 124 9.050 -10.986 13.963 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.222 -11.830 14.955 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.777 -11.492 12.018 1.00 0.00 H new ATOM 0 HG3 GLU A 124 10.982 -10.117 13.085 1.00 0.00 H new TER 1916 GLU A 124