USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 986 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 72 CYS SG : rot 125:sc= -0.278 USER MOD Set 1.2: A 79 MET CE :methyl -145:sc= -5.99! (180deg=-7.17!) USER MOD Set 2.1: A 46 TYR OH : rot 180:sc= -0.348 USER MOD Set 2.2: A 57 GLN : amide:sc= -1.12 K(o=-1.5,f=-2.6!) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 16 SER OG : rot 79:sc= 1.24 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 30:sc= 0.786 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 39:sc= 0.746 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0574 K(o=-0.057,f=-1.5!) USER MOD Single : A 25 ASN : amide:sc= -0.0877 K(o=-0.088,f=-6.9!) USER MOD Single : A 28 GLN : amide:sc= -2.63! C(o=-2.6!,f=-2.5!) USER MOD Single : A 29 TYR OH : rot -70:sc= 1.27 USER MOD Single : A 33 SER OG : rot 68:sc= 0.0184 USER MOD Single : A 37 ASN : amide:sc= -1.31! C(o=-1.3!,f=-11!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.66 K(o=-1.7,f=-2.6!) USER MOD Single : A 75 ASN : amide:sc= -1.63! C(o=-1.6!,f=-3.4!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.00217 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -151:sc= -2.39! (180deg=-4.12!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 170:sc= -0.0914 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 88:sc= 1.18 USER MOD Single : A 107 LYS NZ :NH3+ 174:sc= -2.67! (180deg=-2.82!) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HE2:sc= -2.31 X(o=-2.3,f=-2.3) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.114 22.213 14.576 1.00 0.00 N ATOM 2 CA GLY A 1 -6.253 21.261 13.489 1.00 0.00 C ATOM 3 C GLY A 1 -4.917 20.849 12.905 1.00 0.00 C ATOM 4 O GLY A 1 -4.398 19.778 13.220 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.055 22.463 14.941 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.548 21.789 15.339 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.639 23.070 14.228 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.777 20.376 13.850 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.870 21.698 12.704 1.00 0.00 H new ATOM 8 N SER A 2 -4.358 21.700 12.051 1.00 0.00 N ATOM 9 CA SER A 2 -3.076 21.416 11.417 1.00 0.00 C ATOM 10 C SER A 2 -2.507 22.668 10.756 1.00 0.00 C ATOM 11 O SER A 2 -3.042 23.155 9.761 1.00 0.00 O ATOM 12 CB SER A 2 -3.232 20.303 10.378 1.00 0.00 C ATOM 13 OG SER A 2 -4.098 20.703 9.330 1.00 0.00 O ATOM 0 H SER A 2 -4.773 22.592 11.782 1.00 0.00 H new ATOM 0 HA SER A 2 -2.382 21.087 12.190 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.256 20.044 9.969 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.625 19.406 10.857 1.00 0.00 H new ATOM 0 HG SER A 2 -4.041 21.674 9.211 1.00 0.00 H new ATOM 19 N SER A 3 -1.418 23.183 11.319 1.00 0.00 N ATOM 20 CA SER A 3 -0.778 24.381 10.788 1.00 0.00 C ATOM 21 C SER A 3 0.659 24.087 10.366 1.00 0.00 C ATOM 22 O SER A 3 1.229 23.062 10.736 1.00 0.00 O ATOM 23 CB SER A 3 -0.797 25.500 11.830 1.00 0.00 C ATOM 24 OG SER A 3 -0.810 26.775 11.211 1.00 0.00 O ATOM 0 H SER A 3 -0.961 22.790 12.142 1.00 0.00 H new ATOM 0 HA SER A 3 -1.338 24.703 9.910 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.675 25.393 12.467 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.077 25.415 12.475 1.00 0.00 H new ATOM 0 HG SER A 3 -0.824 27.473 11.899 1.00 0.00 H new ATOM 30 N GLY A 4 1.238 24.997 9.588 1.00 0.00 N ATOM 31 CA GLY A 4 2.603 24.818 9.128 1.00 0.00 C ATOM 32 C GLY A 4 2.810 23.489 8.429 1.00 0.00 C ATOM 33 O GLY A 4 3.807 22.806 8.662 1.00 0.00 O ATOM 0 H GLY A 4 0.787 25.854 9.268 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.862 25.628 8.446 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.282 24.887 9.978 1.00 0.00 H new ATOM 37 N SER A 5 1.864 23.119 7.571 1.00 0.00 N ATOM 38 CA SER A 5 1.945 21.860 6.840 1.00 0.00 C ATOM 39 C SER A 5 1.720 22.083 5.348 1.00 0.00 C ATOM 40 O SER A 5 0.591 22.284 4.902 1.00 0.00 O ATOM 41 CB SER A 5 0.915 20.866 7.380 1.00 0.00 C ATOM 42 OG SER A 5 -0.400 21.385 7.273 1.00 0.00 O ATOM 0 H SER A 5 1.033 23.673 7.365 1.00 0.00 H new ATOM 0 HA SER A 5 2.945 21.449 6.981 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.985 19.929 6.828 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.136 20.639 8.423 1.00 0.00 H new ATOM 0 HG SER A 5 -0.494 21.866 6.425 1.00 0.00 H new ATOM 48 N SER A 6 2.805 22.045 4.581 1.00 0.00 N ATOM 49 CA SER A 6 2.728 22.246 3.138 1.00 0.00 C ATOM 50 C SER A 6 3.554 21.198 2.399 1.00 0.00 C ATOM 51 O SER A 6 4.636 20.817 2.843 1.00 0.00 O ATOM 52 CB SER A 6 3.217 23.649 2.771 1.00 0.00 C ATOM 53 OG SER A 6 2.504 24.642 3.488 1.00 0.00 O ATOM 0 H SER A 6 3.747 21.877 4.934 1.00 0.00 H new ATOM 0 HA SER A 6 1.686 22.141 2.836 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.282 23.734 2.987 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.095 23.811 1.700 1.00 0.00 H new ATOM 0 HG SER A 6 2.836 25.529 3.237 1.00 0.00 H new ATOM 59 N GLY A 7 3.033 20.735 1.266 1.00 0.00 N ATOM 60 CA GLY A 7 3.734 19.734 0.483 1.00 0.00 C ATOM 61 C GLY A 7 2.847 18.563 0.111 1.00 0.00 C ATOM 62 O GLY A 7 1.621 18.671 0.079 1.00 0.00 O ATOM 0 H GLY A 7 2.139 21.035 0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.123 20.194 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.592 19.371 1.048 1.00 0.00 H new ATOM 66 N PRO A 8 3.471 17.412 -0.181 1.00 0.00 N ATOM 67 CA PRO A 8 2.749 16.194 -0.559 1.00 0.00 C ATOM 68 C PRO A 8 1.975 15.592 0.609 1.00 0.00 C ATOM 69 O PRO A 8 0.959 14.924 0.415 1.00 0.00 O ATOM 70 CB PRO A 8 3.863 15.245 -1.007 1.00 0.00 C ATOM 71 CG PRO A 8 5.077 15.720 -0.286 1.00 0.00 C ATOM 72 CD PRO A 8 4.929 17.211 -0.163 1.00 0.00 C ATOM 0 HA PRO A 8 2.000 16.387 -1.327 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.629 14.211 -0.751 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.004 15.282 -2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.155 15.253 0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.983 15.462 -0.835 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.375 17.584 0.759 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.417 17.732 -0.987 1.00 0.00 H new ATOM 80 N ILE A 9 2.462 15.834 1.822 1.00 0.00 N ATOM 81 CA ILE A 9 1.814 15.317 3.021 1.00 0.00 C ATOM 82 C ILE A 9 0.329 15.662 3.036 1.00 0.00 C ATOM 83 O ILE A 9 -0.511 14.821 3.358 1.00 0.00 O ATOM 84 CB ILE A 9 2.472 15.870 4.299 1.00 0.00 C ATOM 85 CG1 ILE A 9 3.956 15.502 4.336 1.00 0.00 C ATOM 86 CG2 ILE A 9 1.758 15.341 5.534 1.00 0.00 C ATOM 87 CD1 ILE A 9 4.736 16.242 5.400 1.00 0.00 C ATOM 0 H ILE A 9 3.302 16.384 2.000 1.00 0.00 H new ATOM 0 HA ILE A 9 1.932 14.234 3.001 1.00 0.00 H new ATOM 0 HB ILE A 9 2.387 16.957 4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.052 14.430 4.507 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.398 15.711 3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.235 15.741 6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.713 15.650 5.511 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.814 14.253 5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.780 15.931 5.368 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.671 17.315 5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.320 16.014 6.381 1.00 0.00 H new ATOM 99 N ASP A 10 0.012 16.903 2.686 1.00 0.00 N ATOM 100 CA ASP A 10 -1.372 17.360 2.656 1.00 0.00 C ATOM 101 C ASP A 10 -2.185 16.566 1.638 1.00 0.00 C ATOM 102 O ASP A 10 -3.316 16.162 1.909 1.00 0.00 O ATOM 103 CB ASP A 10 -1.433 18.852 2.323 1.00 0.00 C ATOM 104 CG ASP A 10 -2.669 19.522 2.890 1.00 0.00 C ATOM 105 OD1 ASP A 10 -2.796 19.580 4.132 1.00 0.00 O ATOM 106 OD2 ASP A 10 -3.509 19.988 2.093 1.00 0.00 O ATOM 0 H ASP A 10 0.695 17.611 2.419 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.803 17.198 3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.544 19.345 2.715 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.418 18.981 1.241 1.00 0.00 H new ATOM 111 N LEU A 11 -1.601 16.347 0.465 1.00 0.00 N ATOM 112 CA LEU A 11 -2.271 15.601 -0.596 1.00 0.00 C ATOM 113 C LEU A 11 -2.878 14.311 -0.054 1.00 0.00 C ATOM 114 O LEU A 11 -4.036 13.995 -0.331 1.00 0.00 O ATOM 115 CB LEU A 11 -1.286 15.282 -1.722 1.00 0.00 C ATOM 116 CG LEU A 11 -0.757 16.480 -2.511 1.00 0.00 C ATOM 117 CD1 LEU A 11 0.072 16.014 -3.698 1.00 0.00 C ATOM 118 CD2 LEU A 11 -1.907 17.362 -2.975 1.00 0.00 C ATOM 0 H LEU A 11 -0.666 16.675 0.224 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.076 16.221 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.436 14.750 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.771 14.599 -2.419 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.115 17.068 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.440 16.881 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.917 15.424 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.546 15.403 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.512 18.210 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.574 16.784 -3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.460 17.725 -2.108 1.00 0.00 H new ATOM 130 N ILE A 12 -2.090 13.571 0.719 1.00 0.00 N ATOM 131 CA ILE A 12 -2.552 12.318 1.301 1.00 0.00 C ATOM 132 C ILE A 12 -3.431 12.569 2.522 1.00 0.00 C ATOM 133 O ILE A 12 -3.153 13.457 3.329 1.00 0.00 O ATOM 134 CB ILE A 12 -1.371 11.418 1.710 1.00 0.00 C ATOM 135 CG1 ILE A 12 -0.541 11.039 0.481 1.00 0.00 C ATOM 136 CG2 ILE A 12 -1.875 10.171 2.420 1.00 0.00 C ATOM 137 CD1 ILE A 12 0.923 10.813 0.787 1.00 0.00 C ATOM 0 H ILE A 12 -1.129 13.818 0.956 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.137 11.811 0.533 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.734 11.972 2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.955 10.133 0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.630 11.828 -0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.028 9.546 2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.427 10.460 3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.532 9.613 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.450 10.548 -0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.353 11.725 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.023 10.003 1.510 1.00 0.00 H new ATOM 149 N THR A 13 -4.493 11.780 2.653 1.00 0.00 N ATOM 150 CA THR A 13 -5.412 11.916 3.775 1.00 0.00 C ATOM 151 C THR A 13 -5.751 10.557 4.377 1.00 0.00 C ATOM 152 O THR A 13 -6.018 9.597 3.655 1.00 0.00 O ATOM 153 CB THR A 13 -6.717 12.616 3.351 1.00 0.00 C ATOM 154 OG1 THR A 13 -7.392 11.835 2.359 1.00 0.00 O ATOM 155 CG2 THR A 13 -6.432 14.006 2.802 1.00 0.00 C ATOM 0 H THR A 13 -4.737 11.040 1.995 1.00 0.00 H new ATOM 0 HA THR A 13 -4.907 12.526 4.524 1.00 0.00 H new ATOM 0 HB THR A 13 -7.353 12.714 4.231 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.221 12.286 2.096 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.369 14.481 2.509 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.945 14.607 3.569 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.778 13.927 1.933 1.00 0.00 H new ATOM 163 N VAL A 14 -5.738 10.483 5.704 1.00 0.00 N ATOM 164 CA VAL A 14 -6.046 9.241 6.403 1.00 0.00 C ATOM 165 C VAL A 14 -7.158 8.474 5.697 1.00 0.00 C ATOM 166 O VAL A 14 -8.214 9.029 5.395 1.00 0.00 O ATOM 167 CB VAL A 14 -6.465 9.507 7.861 1.00 0.00 C ATOM 168 CG1 VAL A 14 -7.629 10.485 7.912 1.00 0.00 C ATOM 169 CG2 VAL A 14 -6.824 8.203 8.558 1.00 0.00 C ATOM 0 H VAL A 14 -5.518 11.268 6.316 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.136 8.641 6.398 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.622 9.954 8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.911 10.661 8.950 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.333 11.428 7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.478 10.068 7.371 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.118 8.409 9.587 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.652 7.726 8.033 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.960 7.538 8.554 1.00 0.00 H new ATOM 179 N GLY A 15 -6.914 7.193 5.437 1.00 0.00 N ATOM 180 CA GLY A 15 -7.904 6.370 4.769 1.00 0.00 C ATOM 181 C GLY A 15 -7.514 6.035 3.343 1.00 0.00 C ATOM 182 O GLY A 15 -7.894 4.990 2.817 1.00 0.00 O ATOM 0 H GLY A 15 -6.048 6.711 5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.043 5.446 5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.862 6.889 4.768 1.00 0.00 H new ATOM 186 N SER A 16 -6.753 6.927 2.715 1.00 0.00 N ATOM 187 CA SER A 16 -6.316 6.724 1.339 1.00 0.00 C ATOM 188 C SER A 16 -5.667 5.353 1.172 1.00 0.00 C ATOM 189 O SER A 16 -4.761 4.987 1.921 1.00 0.00 O ATOM 190 CB SER A 16 -5.331 7.820 0.927 1.00 0.00 C ATOM 191 OG SER A 16 -5.915 9.105 1.060 1.00 0.00 O ATOM 0 H SER A 16 -6.427 7.796 3.137 1.00 0.00 H new ATOM 0 HA SER A 16 -7.194 6.773 0.694 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.434 7.759 1.544 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.019 7.664 -0.106 1.00 0.00 H new ATOM 0 HG SER A 16 -5.892 9.379 2.001 1.00 0.00 H new ATOM 197 N LEU A 17 -6.137 4.599 0.184 1.00 0.00 N ATOM 198 CA LEU A 17 -5.603 3.268 -0.083 1.00 0.00 C ATOM 199 C LEU A 17 -4.334 3.349 -0.925 1.00 0.00 C ATOM 200 O LEU A 17 -4.276 4.086 -1.910 1.00 0.00 O ATOM 201 CB LEU A 17 -6.649 2.412 -0.799 1.00 0.00 C ATOM 202 CG LEU A 17 -6.542 0.902 -0.584 1.00 0.00 C ATOM 203 CD1 LEU A 17 -6.911 0.539 0.846 1.00 0.00 C ATOM 204 CD2 LEU A 17 -7.431 0.159 -1.571 1.00 0.00 C ATOM 0 H LEU A 17 -6.887 4.887 -0.445 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.355 2.805 0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.638 2.736 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.583 2.612 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.509 0.602 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.829 -0.540 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.234 1.043 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.935 0.853 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.342 -0.914 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.468 0.464 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.120 0.394 -2.589 1.00 0.00 H new ATOM 216 N ILE A 18 -3.319 2.587 -0.531 1.00 0.00 N ATOM 217 CA ILE A 18 -2.052 2.570 -1.251 1.00 0.00 C ATOM 218 C ILE A 18 -1.453 1.168 -1.278 1.00 0.00 C ATOM 219 O ILE A 18 -1.763 0.334 -0.427 1.00 0.00 O ATOM 220 CB ILE A 18 -1.034 3.539 -0.621 1.00 0.00 C ATOM 221 CG1 ILE A 18 -1.744 4.785 -0.089 1.00 0.00 C ATOM 222 CG2 ILE A 18 0.031 3.922 -1.637 1.00 0.00 C ATOM 223 CD1 ILE A 18 -2.283 5.685 -1.179 1.00 0.00 C ATOM 0 H ILE A 18 -3.350 1.973 0.283 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.264 2.891 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.547 3.038 0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.567 4.477 0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.049 5.353 0.530 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.743 4.607 -1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.554 3.026 -1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.440 4.408 -2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.773 6.548 -0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.462 6.023 -1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.003 5.133 -1.784 1.00 0.00 H new ATOM 235 N GLU A 19 -0.594 0.916 -2.260 1.00 0.00 N ATOM 236 CA GLU A 19 0.049 -0.386 -2.397 1.00 0.00 C ATOM 237 C GLU A 19 1.468 -0.353 -1.837 1.00 0.00 C ATOM 238 O GLU A 19 2.095 0.705 -1.764 1.00 0.00 O ATOM 239 CB GLU A 19 0.078 -0.813 -3.866 1.00 0.00 C ATOM 240 CG GLU A 19 -1.134 -1.627 -4.287 1.00 0.00 C ATOM 241 CD GLU A 19 -0.931 -3.117 -4.096 1.00 0.00 C ATOM 242 OE1 GLU A 19 -0.049 -3.687 -4.772 1.00 0.00 O ATOM 243 OE2 GLU A 19 -1.654 -3.714 -3.271 1.00 0.00 O ATOM 0 H GLU A 19 -0.327 1.596 -2.972 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.531 -1.111 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.144 0.076 -4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.979 -1.398 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.001 -1.305 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.356 -1.426 -5.335 1.00 0.00 H new ATOM 250 N LEU A 20 1.968 -1.518 -1.441 1.00 0.00 N ATOM 251 CA LEU A 20 3.313 -1.625 -0.886 1.00 0.00 C ATOM 252 C LEU A 20 4.038 -2.844 -1.447 1.00 0.00 C ATOM 253 O LEU A 20 3.411 -3.844 -1.797 1.00 0.00 O ATOM 254 CB LEU A 20 3.252 -1.711 0.640 1.00 0.00 C ATOM 255 CG LEU A 20 4.587 -1.916 1.355 1.00 0.00 C ATOM 256 CD1 LEU A 20 5.454 -0.672 1.237 1.00 0.00 C ATOM 257 CD2 LEU A 20 4.361 -2.274 2.817 1.00 0.00 C ATOM 0 H LEU A 20 1.462 -2.402 -1.494 1.00 0.00 H new ATOM 0 HA LEU A 20 3.869 -0.732 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.798 -0.795 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.588 -2.532 0.911 1.00 0.00 H new ATOM 0 HG LEU A 20 5.109 -2.744 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.400 -0.838 1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.646 -0.461 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.938 0.175 1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.323 -2.416 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.817 -1.468 3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.781 -3.195 2.881 1.00 0.00 H new ATOM 269 N GLN A 21 5.362 -2.754 -1.526 1.00 0.00 N ATOM 270 CA GLN A 21 6.172 -3.851 -2.043 1.00 0.00 C ATOM 271 C GLN A 21 6.783 -4.660 -0.903 1.00 0.00 C ATOM 272 O GLN A 21 7.246 -4.100 0.090 1.00 0.00 O ATOM 273 CB GLN A 21 7.278 -3.313 -2.952 1.00 0.00 C ATOM 274 CG GLN A 21 8.186 -4.396 -3.513 1.00 0.00 C ATOM 275 CD GLN A 21 9.596 -3.901 -3.767 1.00 0.00 C ATOM 276 OE1 GLN A 21 10.495 -4.106 -2.951 1.00 0.00 O ATOM 277 NE2 GLN A 21 9.798 -3.245 -4.904 1.00 0.00 N ATOM 0 H GLN A 21 5.896 -1.934 -1.239 1.00 0.00 H new ATOM 0 HA GLN A 21 5.523 -4.507 -2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.824 -2.767 -3.779 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.882 -2.599 -2.392 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.219 -5.234 -2.817 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.764 -4.772 -4.445 1.00 0.00 H new ATOM 0 HE21 GLN A 21 9.024 -3.097 -5.552 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.727 -2.889 -5.129 1.00 0.00 H new ATOM 286 N ASP A 22 6.780 -5.980 -1.053 1.00 0.00 N ATOM 287 CA ASP A 22 7.334 -6.867 -0.037 1.00 0.00 C ATOM 288 C ASP A 22 8.858 -6.885 -0.105 1.00 0.00 C ATOM 289 O ASP A 22 9.443 -7.541 -0.967 1.00 0.00 O ATOM 290 CB ASP A 22 6.786 -8.284 -0.211 1.00 0.00 C ATOM 291 CG ASP A 22 5.473 -8.491 0.518 1.00 0.00 C ATOM 292 OD1 ASP A 22 4.422 -8.094 -0.027 1.00 0.00 O ATOM 293 OD2 ASP A 22 5.497 -9.050 1.634 1.00 0.00 O ATOM 0 H ASP A 22 6.400 -6.460 -1.869 1.00 0.00 H new ATOM 0 HA ASP A 22 7.036 -6.489 0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.645 -8.488 -1.272 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.519 -9.002 0.157 1.00 0.00 H new ATOM 298 N SER A 23 9.495 -6.161 0.809 1.00 0.00 N ATOM 299 CA SER A 23 10.951 -6.090 0.850 1.00 0.00 C ATOM 300 C SER A 23 11.571 -7.427 0.454 1.00 0.00 C ATOM 301 O SER A 23 12.555 -7.472 -0.283 1.00 0.00 O ATOM 302 CB SER A 23 11.425 -5.689 2.248 1.00 0.00 C ATOM 303 OG SER A 23 10.778 -6.461 3.246 1.00 0.00 O ATOM 0 H SER A 23 9.026 -5.615 1.532 1.00 0.00 H new ATOM 0 HA SER A 23 11.273 -5.333 0.135 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.504 -5.823 2.322 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.223 -4.631 2.414 1.00 0.00 H new ATOM 0 HG SER A 23 11.099 -6.187 4.131 1.00 0.00 H new ATOM 309 N GLN A 24 10.987 -8.513 0.951 1.00 0.00 N ATOM 310 CA GLN A 24 11.483 -9.851 0.650 1.00 0.00 C ATOM 311 C GLN A 24 11.110 -10.263 -0.770 1.00 0.00 C ATOM 312 O GLN A 24 11.974 -10.619 -1.570 1.00 0.00 O ATOM 313 CB GLN A 24 10.921 -10.862 1.651 1.00 0.00 C ATOM 314 CG GLN A 24 11.526 -10.743 3.041 1.00 0.00 C ATOM 315 CD GLN A 24 10.711 -11.465 4.096 1.00 0.00 C ATOM 316 OE1 GLN A 24 9.504 -11.654 3.942 1.00 0.00 O ATOM 317 NE2 GLN A 24 11.368 -11.873 5.175 1.00 0.00 N ATOM 0 H GLN A 24 10.171 -8.493 1.563 1.00 0.00 H new ATOM 0 HA GLN A 24 12.570 -9.835 0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.841 -10.729 1.721 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.095 -11.870 1.273 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.538 -11.148 3.029 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.608 -9.690 3.309 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.369 -11.695 5.261 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.872 -12.365 5.918 1.00 0.00 H new ATOM 326 N ASN A 25 9.818 -10.211 -1.076 1.00 0.00 N ATOM 327 CA ASN A 25 9.331 -10.580 -2.401 1.00 0.00 C ATOM 328 C ASN A 25 9.025 -9.339 -3.233 1.00 0.00 C ATOM 329 O ASN A 25 7.957 -8.736 -3.125 1.00 0.00 O ATOM 330 CB ASN A 25 8.077 -11.450 -2.282 1.00 0.00 C ATOM 331 CG ASN A 25 7.884 -12.353 -3.485 1.00 0.00 C ATOM 332 OD1 ASN A 25 7.533 -11.892 -4.571 1.00 0.00 O ATOM 333 ND2 ASN A 25 8.113 -13.647 -3.295 1.00 0.00 N ATOM 0 H ASN A 25 9.089 -9.917 -0.425 1.00 0.00 H new ATOM 0 HA ASN A 25 10.114 -11.149 -2.903 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.145 -12.059 -1.381 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.203 -10.809 -2.168 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.999 -14.304 -4.067 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.403 -13.984 -2.377 1.00 0.00 H new ATOM 340 N PRO A 26 9.984 -8.947 -4.085 1.00 0.00 N ATOM 341 CA PRO A 26 9.841 -7.775 -4.953 1.00 0.00 C ATOM 342 C PRO A 26 8.813 -7.994 -6.058 1.00 0.00 C ATOM 343 O PRO A 26 8.458 -7.065 -6.783 1.00 0.00 O ATOM 344 CB PRO A 26 11.240 -7.602 -5.551 1.00 0.00 C ATOM 345 CG PRO A 26 11.844 -8.963 -5.497 1.00 0.00 C ATOM 346 CD PRO A 26 11.283 -9.618 -4.266 1.00 0.00 C ATOM 0 HA PRO A 26 9.487 -6.903 -4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.190 -7.231 -6.575 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.829 -6.884 -4.980 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.596 -9.535 -6.391 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.931 -8.905 -5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.165 -10.693 -4.401 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.933 -9.475 -3.403 1.00 0.00 H new ATOM 354 N PHE A 27 8.338 -9.229 -6.182 1.00 0.00 N ATOM 355 CA PHE A 27 7.351 -9.571 -7.199 1.00 0.00 C ATOM 356 C PHE A 27 5.947 -9.611 -6.603 1.00 0.00 C ATOM 357 O PHE A 27 4.958 -9.415 -7.308 1.00 0.00 O ATOM 358 CB PHE A 27 7.687 -10.923 -7.832 1.00 0.00 C ATOM 359 CG PHE A 27 8.846 -10.867 -8.786 1.00 0.00 C ATOM 360 CD1 PHE A 27 8.658 -10.486 -10.105 1.00 0.00 C ATOM 361 CD2 PHE A 27 10.124 -11.195 -8.363 1.00 0.00 C ATOM 362 CE1 PHE A 27 9.722 -10.433 -10.985 1.00 0.00 C ATOM 363 CE2 PHE A 27 11.193 -11.144 -9.239 1.00 0.00 C ATOM 364 CZ PHE A 27 10.991 -10.763 -10.551 1.00 0.00 C ATOM 0 H PHE A 27 8.621 -10.010 -5.590 1.00 0.00 H new ATOM 0 HA PHE A 27 7.378 -8.800 -7.969 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.912 -11.639 -7.042 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.810 -11.296 -8.360 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.668 -10.227 -10.449 1.00 0.00 H new ATOM 0 HD2 PHE A 27 10.287 -11.494 -7.338 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.562 -10.134 -12.010 1.00 0.00 H new ATOM 0 HE2 PHE A 27 12.185 -11.402 -8.897 1.00 0.00 H new ATOM 0 HZ PHE A 27 11.824 -10.723 -11.237 1.00 0.00 H new ATOM 374 N GLN A 28 5.871 -9.866 -5.301 1.00 0.00 N ATOM 375 CA GLN A 28 4.588 -9.933 -4.610 1.00 0.00 C ATOM 376 C GLN A 28 4.322 -8.649 -3.831 1.00 0.00 C ATOM 377 O GLN A 28 5.204 -8.135 -3.142 1.00 0.00 O ATOM 378 CB GLN A 28 4.557 -11.134 -3.664 1.00 0.00 C ATOM 379 CG GLN A 28 3.161 -11.488 -3.176 1.00 0.00 C ATOM 380 CD GLN A 28 3.088 -12.879 -2.577 1.00 0.00 C ATOM 381 OE1 GLN A 28 3.280 -13.878 -3.271 1.00 0.00 O ATOM 382 NE2 GLN A 28 2.809 -12.951 -1.281 1.00 0.00 N ATOM 0 H GLN A 28 6.681 -10.029 -4.704 1.00 0.00 H new ATOM 0 HA GLN A 28 3.805 -10.050 -5.359 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.985 -11.998 -4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.192 -10.924 -2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.845 -10.758 -2.430 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.460 -11.418 -4.008 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.657 -12.097 -0.744 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.747 -13.860 -0.822 1.00 0.00 H new ATOM 391 N TYR A 29 3.102 -8.137 -3.943 1.00 0.00 N ATOM 392 CA TYR A 29 2.721 -6.911 -3.251 1.00 0.00 C ATOM 393 C TYR A 29 1.416 -7.102 -2.484 1.00 0.00 C ATOM 394 O TYR A 29 0.797 -8.165 -2.545 1.00 0.00 O ATOM 395 CB TYR A 29 2.574 -5.761 -4.250 1.00 0.00 C ATOM 396 CG TYR A 29 3.803 -5.539 -5.102 1.00 0.00 C ATOM 397 CD1 TYR A 29 4.208 -6.488 -6.033 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.560 -4.381 -4.976 1.00 0.00 C ATOM 399 CE1 TYR A 29 5.330 -6.290 -6.813 1.00 0.00 C ATOM 400 CE2 TYR A 29 5.683 -4.173 -5.754 1.00 0.00 C ATOM 401 CZ TYR A 29 6.064 -5.131 -6.671 1.00 0.00 C ATOM 402 OH TYR A 29 7.182 -4.929 -7.446 1.00 0.00 O ATOM 0 H TYR A 29 2.360 -8.552 -4.506 1.00 0.00 H new ATOM 0 HA TYR A 29 3.509 -6.666 -2.538 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.723 -5.962 -4.900 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.349 -4.844 -3.705 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.635 -7.396 -6.148 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.266 -3.630 -4.258 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.631 -7.039 -7.531 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.259 -3.266 -5.645 1.00 0.00 H new ATOM 0 HH TYR A 29 7.893 -5.539 -7.159 1.00 0.00 H new ATOM 412 N TRP A 30 1.006 -6.066 -1.762 1.00 0.00 N ATOM 413 CA TRP A 30 -0.226 -6.119 -0.982 1.00 0.00 C ATOM 414 C TRP A 30 -0.897 -4.751 -0.932 1.00 0.00 C ATOM 415 O TRP A 30 -0.293 -3.739 -1.290 1.00 0.00 O ATOM 416 CB TRP A 30 0.066 -6.609 0.438 1.00 0.00 C ATOM 417 CG TRP A 30 -1.167 -6.782 1.271 1.00 0.00 C ATOM 418 CD1 TRP A 30 -1.412 -6.232 2.497 1.00 0.00 C ATOM 419 CD2 TRP A 30 -2.323 -7.560 0.941 1.00 0.00 C ATOM 420 NE1 TRP A 30 -2.650 -6.621 2.949 1.00 0.00 N ATOM 421 CE2 TRP A 30 -3.229 -7.436 2.012 1.00 0.00 C ATOM 422 CE3 TRP A 30 -2.681 -8.348 -0.156 1.00 0.00 C ATOM 423 CZ2 TRP A 30 -4.468 -8.071 2.016 1.00 0.00 C ATOM 424 CZ3 TRP A 30 -3.910 -8.979 -0.151 1.00 0.00 C ATOM 425 CH2 TRP A 30 -4.793 -8.836 0.929 1.00 0.00 C ATOM 0 H TRP A 30 1.507 -5.180 -1.700 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.905 -6.819 -1.468 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.596 -7.560 0.385 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.732 -5.900 0.930 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.732 -5.586 3.033 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.070 -6.348 3.838 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -2.009 -8.462 -0.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.149 -7.964 2.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -4.195 -9.593 -0.993 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.748 -9.339 0.902 1.00 0.00 H new ATOM 436 N ILE A 31 -2.149 -4.727 -0.487 1.00 0.00 N ATOM 437 CA ILE A 31 -2.901 -3.482 -0.391 1.00 0.00 C ATOM 438 C ILE A 31 -2.975 -2.995 1.053 1.00 0.00 C ATOM 439 O ILE A 31 -3.300 -3.760 1.961 1.00 0.00 O ATOM 440 CB ILE A 31 -4.331 -3.644 -0.940 1.00 0.00 C ATOM 441 CG1 ILE A 31 -4.292 -4.003 -2.427 1.00 0.00 C ATOM 442 CG2 ILE A 31 -5.131 -2.369 -0.718 1.00 0.00 C ATOM 443 CD1 ILE A 31 -5.663 -4.177 -3.042 1.00 0.00 C ATOM 0 H ILE A 31 -2.664 -5.555 -0.187 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.370 -2.745 -0.994 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.821 -4.456 -0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.757 -3.222 -2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.725 -4.925 -2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.139 -2.499 -1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.183 -2.153 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.645 -1.540 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.559 -4.430 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.194 -4.978 -2.527 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.226 -3.248 -2.946 1.00 0.00 H new ATOM 455 N VAL A 32 -2.673 -1.717 1.256 1.00 0.00 N ATOM 456 CA VAL A 32 -2.708 -1.126 2.589 1.00 0.00 C ATOM 457 C VAL A 32 -3.534 0.156 2.600 1.00 0.00 C ATOM 458 O VAL A 32 -3.721 0.795 1.565 1.00 0.00 O ATOM 459 CB VAL A 32 -1.290 -0.815 3.102 1.00 0.00 C ATOM 460 CG1 VAL A 32 -0.571 -2.096 3.495 1.00 0.00 C ATOM 461 CG2 VAL A 32 -0.499 -0.051 2.051 1.00 0.00 C ATOM 0 H VAL A 32 -2.401 -1.071 0.515 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.172 -1.859 3.249 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.373 -0.187 3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.429 -1.856 3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.130 -2.599 4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.497 -2.752 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.501 0.160 2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.424 -0.652 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.007 0.886 1.824 1.00 0.00 H new ATOM 471 N SER A 33 -4.025 0.526 3.778 1.00 0.00 N ATOM 472 CA SER A 33 -4.834 1.730 3.925 1.00 0.00 C ATOM 473 C SER A 33 -4.232 2.665 4.969 1.00 0.00 C ATOM 474 O SER A 33 -3.906 2.246 6.080 1.00 0.00 O ATOM 475 CB SER A 33 -6.267 1.364 4.317 1.00 0.00 C ATOM 476 OG SER A 33 -7.001 2.514 4.698 1.00 0.00 O ATOM 0 H SER A 33 -3.877 0.009 4.645 1.00 0.00 H new ATOM 0 HA SER A 33 -4.849 2.247 2.965 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.763 0.874 3.479 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.251 0.650 5.140 1.00 0.00 H new ATOM 0 HG SER A 33 -7.137 3.089 3.916 1.00 0.00 H new ATOM 482 N VAL A 34 -4.088 3.936 4.605 1.00 0.00 N ATOM 483 CA VAL A 34 -3.527 4.932 5.509 1.00 0.00 C ATOM 484 C VAL A 34 -4.303 4.983 6.820 1.00 0.00 C ATOM 485 O VAL A 34 -5.487 5.322 6.840 1.00 0.00 O ATOM 486 CB VAL A 34 -3.527 6.333 4.871 1.00 0.00 C ATOM 487 CG1 VAL A 34 -3.109 7.384 5.888 1.00 0.00 C ATOM 488 CG2 VAL A 34 -2.614 6.364 3.654 1.00 0.00 C ATOM 0 H VAL A 34 -4.353 4.300 3.689 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.498 4.633 5.710 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.541 6.563 4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.115 8.368 5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.807 7.378 6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.105 7.161 6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.626 7.362 3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.597 6.112 3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.964 5.640 2.918 1.00 0.00 H new ATOM 498 N ILE A 35 -3.629 4.644 7.914 1.00 0.00 N ATOM 499 CA ILE A 35 -4.255 4.653 9.230 1.00 0.00 C ATOM 500 C ILE A 35 -4.128 6.022 9.890 1.00 0.00 C ATOM 501 O ILE A 35 -5.066 6.505 10.523 1.00 0.00 O ATOM 502 CB ILE A 35 -3.634 3.590 10.156 1.00 0.00 C ATOM 503 CG1 ILE A 35 -3.620 2.225 9.464 1.00 0.00 C ATOM 504 CG2 ILE A 35 -4.402 3.517 11.468 1.00 0.00 C ATOM 505 CD1 ILE A 35 -4.998 1.629 9.276 1.00 0.00 C ATOM 0 H ILE A 35 -2.649 4.360 7.915 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.309 4.421 9.079 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.605 3.876 10.375 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.140 2.325 8.490 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.012 1.536 10.050 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.951 2.762 12.112 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.366 4.486 11.965 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.440 3.251 11.268 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.912 0.662 8.780 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.473 1.497 10.248 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.603 2.298 8.665 1.00 0.00 H new ATOM 517 N GLU A 36 -2.962 6.642 9.736 1.00 0.00 N ATOM 518 CA GLU A 36 -2.714 7.956 10.317 1.00 0.00 C ATOM 519 C GLU A 36 -1.567 8.660 9.598 1.00 0.00 C ATOM 520 O GLU A 36 -0.623 8.020 9.137 1.00 0.00 O ATOM 521 CB GLU A 36 -2.394 7.827 11.807 1.00 0.00 C ATOM 522 CG GLU A 36 -3.580 7.389 12.649 1.00 0.00 C ATOM 523 CD GLU A 36 -3.306 7.483 14.137 1.00 0.00 C ATOM 524 OE1 GLU A 36 -3.019 8.599 14.618 1.00 0.00 O ATOM 525 OE2 GLU A 36 -3.378 6.441 14.822 1.00 0.00 O ATOM 0 H GLU A 36 -2.175 6.256 9.214 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.617 8.555 10.198 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.584 7.109 11.935 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.032 8.786 12.176 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.443 8.007 12.403 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.841 6.361 12.396 1.00 0.00 H new ATOM 532 N ASN A 37 -1.657 9.983 9.506 1.00 0.00 N ATOM 533 CA ASN A 37 -0.628 10.775 8.843 1.00 0.00 C ATOM 534 C ASN A 37 -0.140 11.902 9.749 1.00 0.00 C ATOM 535 O ASN A 37 -0.862 12.866 10.002 1.00 0.00 O ATOM 536 CB ASN A 37 -1.166 11.356 7.534 1.00 0.00 C ATOM 537 CG ASN A 37 -0.164 12.264 6.848 1.00 0.00 C ATOM 538 OD1 ASN A 37 0.888 12.578 7.405 1.00 0.00 O ATOM 539 ND2 ASN A 37 -0.486 12.690 5.632 1.00 0.00 N ATOM 0 H ASN A 37 -2.432 10.529 9.882 1.00 0.00 H new ATOM 0 HA ASN A 37 0.214 10.119 8.623 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.434 10.541 6.861 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.079 11.915 7.736 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.150 13.303 5.121 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.369 12.404 5.209 1.00 0.00 H new ATOM 546 N VAL A 38 1.091 11.773 10.234 1.00 0.00 N ATOM 547 CA VAL A 38 1.677 12.780 11.110 1.00 0.00 C ATOM 548 C VAL A 38 2.897 13.428 10.465 1.00 0.00 C ATOM 549 O VAL A 38 4.019 12.945 10.610 1.00 0.00 O ATOM 550 CB VAL A 38 2.087 12.175 12.466 1.00 0.00 C ATOM 551 CG1 VAL A 38 2.759 13.224 13.338 1.00 0.00 C ATOM 552 CG2 VAL A 38 0.878 11.579 13.171 1.00 0.00 C ATOM 0 H VAL A 38 1.702 10.981 10.035 1.00 0.00 H new ATOM 0 HA VAL A 38 0.912 13.538 11.276 1.00 0.00 H new ATOM 0 HB VAL A 38 2.804 11.375 12.285 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.041 12.778 14.292 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.650 13.599 12.835 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.068 14.048 13.514 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.186 11.156 14.127 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.135 12.358 13.341 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.445 10.795 12.550 1.00 0.00 H new ATOM 562 N GLY A 39 2.669 14.526 9.750 1.00 0.00 N ATOM 563 CA GLY A 39 3.759 15.223 9.093 1.00 0.00 C ATOM 564 C GLY A 39 4.512 14.336 8.122 1.00 0.00 C ATOM 565 O GLY A 39 5.739 14.392 8.041 1.00 0.00 O ATOM 0 H GLY A 39 1.749 14.945 9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.364 16.088 8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.450 15.602 9.846 1.00 0.00 H new ATOM 569 N GLY A 40 3.776 13.512 7.382 1.00 0.00 N ATOM 570 CA GLY A 40 4.399 12.619 6.422 1.00 0.00 C ATOM 571 C GLY A 40 4.496 11.195 6.933 1.00 0.00 C ATOM 572 O GLY A 40 4.879 10.288 6.194 1.00 0.00 O ATOM 0 H GLY A 40 2.759 13.447 7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.826 12.631 5.495 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.398 12.985 6.185 1.00 0.00 H new ATOM 576 N ARG A 41 4.150 10.998 8.201 1.00 0.00 N ATOM 577 CA ARG A 41 4.203 9.675 8.810 1.00 0.00 C ATOM 578 C ARG A 41 2.921 8.895 8.529 1.00 0.00 C ATOM 579 O ARG A 41 1.961 8.960 9.298 1.00 0.00 O ATOM 580 CB ARG A 41 4.419 9.794 10.320 1.00 0.00 C ATOM 581 CG ARG A 41 5.884 9.822 10.725 1.00 0.00 C ATOM 582 CD ARG A 41 6.080 10.523 12.060 1.00 0.00 C ATOM 583 NE ARG A 41 6.092 11.976 11.918 1.00 0.00 N ATOM 584 CZ ARG A 41 6.367 12.810 12.915 1.00 0.00 C ATOM 585 NH1 ARG A 41 6.652 12.336 14.121 1.00 0.00 N ATOM 586 NH2 ARG A 41 6.359 14.120 12.708 1.00 0.00 N ATOM 0 H ARG A 41 3.830 11.738 8.826 1.00 0.00 H new ATOM 0 HA ARG A 41 5.041 9.134 8.371 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.934 10.703 10.677 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.930 8.956 10.816 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.264 8.803 10.789 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.465 10.332 9.957 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.282 10.232 12.743 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.018 10.195 12.508 1.00 0.00 H new ATOM 0 HE ARG A 41 5.877 12.373 11.003 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.660 11.329 14.284 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.863 12.978 14.885 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.141 14.489 11.782 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.570 14.759 13.475 1.00 0.00 H new ATOM 600 N LEU A 42 2.913 8.160 7.423 1.00 0.00 N ATOM 601 CA LEU A 42 1.750 7.368 7.039 1.00 0.00 C ATOM 602 C LEU A 42 1.805 5.979 7.669 1.00 0.00 C ATOM 603 O LEU A 42 2.649 5.158 7.311 1.00 0.00 O ATOM 604 CB LEU A 42 1.670 7.247 5.517 1.00 0.00 C ATOM 605 CG LEU A 42 1.310 8.526 4.760 1.00 0.00 C ATOM 606 CD1 LEU A 42 0.098 9.195 5.389 1.00 0.00 C ATOM 607 CD2 LEU A 42 2.495 9.481 4.732 1.00 0.00 C ATOM 0 H LEU A 42 3.699 8.096 6.776 1.00 0.00 H new ATOM 0 HA LEU A 42 0.858 7.878 7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.632 6.890 5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.932 6.483 5.272 1.00 0.00 H new ATOM 0 HG LEU A 42 1.060 8.260 3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.143 10.103 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.752 8.513 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.319 9.448 6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.221 10.386 4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.777 9.741 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.338 9.001 4.234 1.00 0.00 H new ATOM 619 N ARG A 43 0.898 5.724 8.606 1.00 0.00 N ATOM 620 CA ARG A 43 0.842 4.435 9.285 1.00 0.00 C ATOM 621 C ARG A 43 -0.014 3.445 8.502 1.00 0.00 C ATOM 622 O ARG A 43 -1.233 3.391 8.672 1.00 0.00 O ATOM 623 CB ARG A 43 0.283 4.603 10.699 1.00 0.00 C ATOM 624 CG ARG A 43 -0.050 3.286 11.382 1.00 0.00 C ATOM 625 CD ARG A 43 -0.736 3.511 12.721 1.00 0.00 C ATOM 626 NE ARG A 43 -0.618 2.350 13.598 1.00 0.00 N ATOM 627 CZ ARG A 43 -0.733 2.413 14.920 1.00 0.00 C ATOM 628 NH1 ARG A 43 -0.968 3.575 15.514 1.00 0.00 N ATOM 629 NH2 ARG A 43 -0.613 1.312 15.651 1.00 0.00 N ATOM 0 H ARG A 43 0.192 6.393 8.912 1.00 0.00 H new ATOM 0 HA ARG A 43 1.856 4.041 9.348 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.009 5.144 11.306 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.616 5.217 10.655 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.697 2.693 10.736 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.864 2.711 11.532 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.299 4.381 13.211 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.790 3.735 12.555 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.437 1.441 13.173 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.061 4.424 14.956 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.056 3.620 16.529 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.432 0.416 15.198 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.701 1.362 16.666 1.00 0.00 H new ATOM 643 N LEU A 44 0.631 2.663 7.643 1.00 0.00 N ATOM 644 CA LEU A 44 -0.072 1.674 6.832 1.00 0.00 C ATOM 645 C LEU A 44 -0.387 0.425 7.649 1.00 0.00 C ATOM 646 O LEU A 44 0.300 0.120 8.624 1.00 0.00 O ATOM 647 CB LEU A 44 0.767 1.300 5.609 1.00 0.00 C ATOM 648 CG LEU A 44 1.348 2.467 4.810 1.00 0.00 C ATOM 649 CD1 LEU A 44 2.661 2.066 4.155 1.00 0.00 C ATOM 650 CD2 LEU A 44 0.352 2.944 3.763 1.00 0.00 C ATOM 0 H LEU A 44 1.639 2.694 7.490 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.012 2.114 6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.590 0.666 5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.150 0.700 4.940 1.00 0.00 H new ATOM 0 HG LEU A 44 1.546 3.290 5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.059 2.910 3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.377 1.773 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.490 1.227 3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.782 3.775 3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.123 2.126 3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.563 3.273 4.255 1.00 0.00 H new ATOM 662 N ARG A 45 -1.428 -0.294 7.242 1.00 0.00 N ATOM 663 CA ARG A 45 -1.834 -1.510 7.936 1.00 0.00 C ATOM 664 C ARG A 45 -2.455 -2.509 6.964 1.00 0.00 C ATOM 665 O ARG A 45 -3.465 -2.219 6.321 1.00 0.00 O ATOM 666 CB ARG A 45 -2.829 -1.180 9.050 1.00 0.00 C ATOM 667 CG ARG A 45 -3.396 -2.408 9.743 1.00 0.00 C ATOM 668 CD ARG A 45 -4.544 -2.043 10.672 1.00 0.00 C ATOM 669 NE ARG A 45 -4.137 -1.082 11.693 1.00 0.00 N ATOM 670 CZ ARG A 45 -4.983 -0.269 12.317 1.00 0.00 C ATOM 671 NH1 ARG A 45 -6.276 -0.302 12.024 1.00 0.00 N ATOM 672 NH2 ARG A 45 -4.536 0.578 13.235 1.00 0.00 N ATOM 0 H ARG A 45 -2.005 -0.056 6.436 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.944 -1.961 8.375 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.336 -0.550 9.791 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.650 -0.598 8.632 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.744 -3.121 8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.609 -2.902 10.312 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.364 -1.626 10.088 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.922 -2.945 11.153 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.149 -1.032 11.941 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.623 -0.952 11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.924 0.323 12.504 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.542 0.606 13.462 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.186 1.202 13.713 1.00 0.00 H new ATOM 686 N TYR A 46 -1.846 -3.685 6.862 1.00 0.00 N ATOM 687 CA TYR A 46 -2.338 -4.725 5.966 1.00 0.00 C ATOM 688 C TYR A 46 -3.836 -4.944 6.156 1.00 0.00 C ATOM 689 O TYR A 46 -4.287 -5.330 7.234 1.00 0.00 O ATOM 690 CB TYR A 46 -1.585 -6.034 6.209 1.00 0.00 C ATOM 691 CG TYR A 46 -0.081 -5.875 6.215 1.00 0.00 C ATOM 692 CD1 TYR A 46 0.552 -5.037 5.306 1.00 0.00 C ATOM 693 CD2 TYR A 46 0.707 -6.564 7.129 1.00 0.00 C ATOM 694 CE1 TYR A 46 1.926 -4.889 5.307 1.00 0.00 C ATOM 695 CE2 TYR A 46 2.080 -6.421 7.139 1.00 0.00 C ATOM 696 CZ TYR A 46 2.686 -5.583 6.226 1.00 0.00 C ATOM 697 OH TYR A 46 4.054 -5.439 6.231 1.00 0.00 O ATOM 0 H TYR A 46 -1.011 -3.942 7.388 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.164 -4.398 4.941 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.901 -6.454 7.164 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.863 -6.752 5.437 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.040 -4.492 4.586 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.237 -7.223 7.844 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.402 -4.234 4.593 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.677 -6.963 7.858 1.00 0.00 H new ATOM 0 HH TYR A 46 4.439 -5.995 6.940 1.00 0.00 H new ATOM 707 N VAL A 47 -4.602 -4.696 5.098 1.00 0.00 N ATOM 708 CA VAL A 47 -6.049 -4.868 5.146 1.00 0.00 C ATOM 709 C VAL A 47 -6.423 -6.224 5.734 1.00 0.00 C ATOM 710 O VAL A 47 -5.872 -7.253 5.346 1.00 0.00 O ATOM 711 CB VAL A 47 -6.676 -4.737 3.745 1.00 0.00 C ATOM 712 CG1 VAL A 47 -6.565 -3.306 3.241 1.00 0.00 C ATOM 713 CG2 VAL A 47 -6.017 -5.706 2.775 1.00 0.00 C ATOM 0 H VAL A 47 -4.245 -4.376 4.198 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.441 -4.078 5.787 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.734 -4.990 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.013 -3.233 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.087 -2.638 3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.515 -3.020 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.472 -5.600 1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.952 -5.486 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.155 -6.727 3.131 1.00 0.00 H new ATOM 723 N GLY A 48 -7.364 -6.217 6.673 1.00 0.00 N ATOM 724 CA GLY A 48 -7.796 -7.452 7.300 1.00 0.00 C ATOM 725 C GLY A 48 -7.421 -7.520 8.767 1.00 0.00 C ATOM 726 O GLY A 48 -8.121 -8.144 9.566 1.00 0.00 O ATOM 0 H GLY A 48 -7.835 -5.378 7.011 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.877 -7.548 7.200 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.351 -8.297 6.775 1.00 0.00 H new ATOM 730 N LEU A 49 -6.314 -6.880 9.123 1.00 0.00 N ATOM 731 CA LEU A 49 -5.845 -6.871 10.504 1.00 0.00 C ATOM 732 C LEU A 49 -6.170 -5.544 11.181 1.00 0.00 C ATOM 733 O LEU A 49 -5.432 -5.083 12.052 1.00 0.00 O ATOM 734 CB LEU A 49 -4.338 -7.126 10.554 1.00 0.00 C ATOM 735 CG LEU A 49 -3.837 -8.345 9.779 1.00 0.00 C ATOM 736 CD1 LEU A 49 -2.352 -8.215 9.478 1.00 0.00 C ATOM 737 CD2 LEU A 49 -4.115 -9.623 10.557 1.00 0.00 C ATOM 0 H LEU A 49 -5.723 -6.360 8.474 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.360 -7.668 11.041 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.827 -6.242 10.171 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.043 -7.238 11.597 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.375 -8.395 8.832 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.014 -9.092 8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.179 -7.321 8.879 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.797 -8.139 10.413 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.752 -10.480 9.990 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.605 -9.581 11.519 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.188 -9.724 10.720 1.00 0.00 H new ATOM 749 N GLU A 50 -7.281 -4.935 10.777 1.00 0.00 N ATOM 750 CA GLU A 50 -7.704 -3.661 11.347 1.00 0.00 C ATOM 751 C GLU A 50 -7.825 -3.757 12.865 1.00 0.00 C ATOM 752 O GLU A 50 -7.434 -2.841 13.588 1.00 0.00 O ATOM 753 CB GLU A 50 -9.042 -3.227 10.744 1.00 0.00 C ATOM 754 CG GLU A 50 -10.169 -4.217 10.986 1.00 0.00 C ATOM 755 CD GLU A 50 -11.453 -3.823 10.282 1.00 0.00 C ATOM 756 OE1 GLU A 50 -11.675 -2.609 10.091 1.00 0.00 O ATOM 757 OE2 GLU A 50 -12.235 -4.728 9.923 1.00 0.00 O ATOM 0 H GLU A 50 -7.904 -5.303 10.058 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.946 -2.915 11.107 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.323 -2.260 11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.918 -3.086 9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.860 -5.205 10.644 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.355 -4.295 12.057 1.00 0.00 H new ATOM 764 N ASP A 51 -8.369 -4.872 13.339 1.00 0.00 N ATOM 765 CA ASP A 51 -8.542 -5.089 14.771 1.00 0.00 C ATOM 766 C ASP A 51 -7.212 -4.954 15.505 1.00 0.00 C ATOM 767 O ASP A 51 -7.062 -4.113 16.392 1.00 0.00 O ATOM 768 CB ASP A 51 -9.144 -6.472 15.030 1.00 0.00 C ATOM 769 CG ASP A 51 -9.853 -6.553 16.367 1.00 0.00 C ATOM 770 OD1 ASP A 51 -10.969 -6.003 16.482 1.00 0.00 O ATOM 771 OD2 ASP A 51 -9.293 -7.168 17.299 1.00 0.00 O ATOM 0 H ASP A 51 -8.698 -5.640 12.753 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.224 -4.328 15.149 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.848 -6.714 14.234 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.353 -7.222 14.995 1.00 0.00 H new ATOM 776 N THR A 52 -6.247 -5.789 15.131 1.00 0.00 N ATOM 777 CA THR A 52 -4.931 -5.765 15.756 1.00 0.00 C ATOM 778 C THR A 52 -4.036 -4.712 15.111 1.00 0.00 C ATOM 779 O THR A 52 -3.964 -4.611 13.887 1.00 0.00 O ATOM 780 CB THR A 52 -4.238 -7.138 15.661 1.00 0.00 C ATOM 781 OG1 THR A 52 -3.154 -7.205 16.593 1.00 0.00 O ATOM 782 CG2 THR A 52 -3.720 -7.386 14.252 1.00 0.00 C ATOM 0 H THR A 52 -6.353 -6.490 14.398 1.00 0.00 H new ATOM 0 HA THR A 52 -5.084 -5.516 16.806 1.00 0.00 H new ATOM 0 HB THR A 52 -4.971 -7.908 15.902 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.720 -8.081 16.528 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.235 -8.361 14.209 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.553 -7.364 13.549 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.001 -6.611 13.987 1.00 0.00 H new ATOM 790 N GLU A 53 -3.356 -3.930 15.944 1.00 0.00 N ATOM 791 CA GLU A 53 -2.466 -2.884 15.454 1.00 0.00 C ATOM 792 C GLU A 53 -1.020 -3.371 15.423 1.00 0.00 C ATOM 793 O GLU A 53 -0.183 -2.819 14.708 1.00 0.00 O ATOM 794 CB GLU A 53 -2.577 -1.636 16.331 1.00 0.00 C ATOM 795 CG GLU A 53 -2.090 -1.848 17.755 1.00 0.00 C ATOM 796 CD GLU A 53 -2.768 -0.923 18.747 1.00 0.00 C ATOM 797 OE1 GLU A 53 -3.954 -1.158 19.062 1.00 0.00 O ATOM 798 OE2 GLU A 53 -2.115 0.036 19.208 1.00 0.00 O ATOM 0 H GLU A 53 -3.404 -4.001 16.960 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.768 -2.632 14.438 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.002 -0.830 15.876 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.617 -1.311 16.356 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.271 -2.883 18.047 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.012 -1.689 17.794 1.00 0.00 H new ATOM 805 N SER A 54 -0.733 -4.407 16.205 1.00 0.00 N ATOM 806 CA SER A 54 0.612 -4.965 16.271 1.00 0.00 C ATOM 807 C SER A 54 1.165 -5.217 14.872 1.00 0.00 C ATOM 808 O SER A 54 2.364 -5.074 14.631 1.00 0.00 O ATOM 809 CB SER A 54 0.607 -6.269 17.072 1.00 0.00 C ATOM 810 OG SER A 54 0.616 -6.012 18.466 1.00 0.00 O ATOM 0 H SER A 54 -1.414 -4.877 16.802 1.00 0.00 H new ATOM 0 HA SER A 54 1.255 -4.241 16.772 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.275 -6.855 16.813 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.478 -6.867 16.804 1.00 0.00 H new ATOM 0 HG SER A 54 0.611 -6.861 18.955 1.00 0.00 H new ATOM 816 N TYR A 55 0.283 -5.593 13.953 1.00 0.00 N ATOM 817 CA TYR A 55 0.682 -5.868 12.578 1.00 0.00 C ATOM 818 C TYR A 55 0.601 -4.606 11.724 1.00 0.00 C ATOM 819 O TYR A 55 0.136 -4.642 10.585 1.00 0.00 O ATOM 820 CB TYR A 55 -0.202 -6.961 11.976 1.00 0.00 C ATOM 821 CG TYR A 55 -0.192 -8.251 12.766 1.00 0.00 C ATOM 822 CD1 TYR A 55 0.933 -8.641 13.482 1.00 0.00 C ATOM 823 CD2 TYR A 55 -1.307 -9.079 12.795 1.00 0.00 C ATOM 824 CE1 TYR A 55 0.947 -9.819 14.204 1.00 0.00 C ATOM 825 CE2 TYR A 55 -1.302 -10.258 13.515 1.00 0.00 C ATOM 826 CZ TYR A 55 -0.173 -10.624 14.218 1.00 0.00 C ATOM 827 OH TYR A 55 -0.163 -11.797 14.937 1.00 0.00 O ATOM 0 H TYR A 55 -0.713 -5.714 14.135 1.00 0.00 H new ATOM 0 HA TYR A 55 1.716 -6.212 12.590 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.226 -6.593 11.910 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.130 -7.165 10.958 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.811 -8.013 13.474 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.193 -8.796 12.245 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.830 -10.108 14.754 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.178 -10.890 13.527 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.029 -12.246 14.843 1.00 0.00 H new ATOM 837 N ASP A 56 1.057 -3.491 12.284 1.00 0.00 N ATOM 838 CA ASP A 56 1.038 -2.217 11.576 1.00 0.00 C ATOM 839 C ASP A 56 2.431 -1.857 11.067 1.00 0.00 C ATOM 840 O ASP A 56 3.436 -2.342 11.587 1.00 0.00 O ATOM 841 CB ASP A 56 0.514 -1.108 12.490 1.00 0.00 C ATOM 842 CG ASP A 56 -1.001 -1.036 12.501 1.00 0.00 C ATOM 843 OD1 ASP A 56 -1.644 -2.101 12.601 1.00 0.00 O ATOM 844 OD2 ASP A 56 -1.542 0.086 12.410 1.00 0.00 O ATOM 0 H ASP A 56 1.444 -3.444 13.226 1.00 0.00 H new ATOM 0 HA ASP A 56 0.372 -2.316 10.719 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.874 -1.277 13.505 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.918 -0.150 12.163 1.00 0.00 H new ATOM 849 N GLN A 57 2.482 -1.005 10.049 1.00 0.00 N ATOM 850 CA GLN A 57 3.751 -0.582 9.469 1.00 0.00 C ATOM 851 C GLN A 57 3.741 0.912 9.166 1.00 0.00 C ATOM 852 O GLN A 57 2.849 1.410 8.479 1.00 0.00 O ATOM 853 CB GLN A 57 4.041 -1.372 8.191 1.00 0.00 C ATOM 854 CG GLN A 57 5.378 -1.028 7.554 1.00 0.00 C ATOM 855 CD GLN A 57 5.695 -1.902 6.357 1.00 0.00 C ATOM 856 OE1 GLN A 57 5.962 -1.404 5.263 1.00 0.00 O ATOM 857 NE2 GLN A 57 5.667 -3.215 6.558 1.00 0.00 N ATOM 0 H GLN A 57 1.659 -0.594 9.608 1.00 0.00 H new ATOM 0 HA GLN A 57 4.538 -0.781 10.197 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.020 -2.438 8.420 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.245 -1.185 7.470 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.371 0.017 7.244 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.168 -1.135 8.297 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.441 -3.585 7.481 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.872 -3.853 5.789 1.00 0.00 H new ATOM 866 N TRP A 58 4.736 1.623 9.684 1.00 0.00 N ATOM 867 CA TRP A 58 4.841 3.062 9.468 1.00 0.00 C ATOM 868 C TRP A 58 5.821 3.374 8.343 1.00 0.00 C ATOM 869 O TRP A 58 6.870 2.739 8.226 1.00 0.00 O ATOM 870 CB TRP A 58 5.284 3.760 10.755 1.00 0.00 C ATOM 871 CG TRP A 58 4.175 3.935 11.748 1.00 0.00 C ATOM 872 CD1 TRP A 58 3.405 2.951 12.300 1.00 0.00 C ATOM 873 CD2 TRP A 58 3.710 5.170 12.304 1.00 0.00 C ATOM 874 NE1 TRP A 58 2.490 3.499 13.166 1.00 0.00 N ATOM 875 CE2 TRP A 58 2.657 4.858 13.187 1.00 0.00 C ATOM 876 CE3 TRP A 58 4.082 6.507 12.145 1.00 0.00 C ATOM 877 CZ2 TRP A 58 1.974 5.837 13.904 1.00 0.00 C ATOM 878 CZ3 TRP A 58 3.403 7.477 12.857 1.00 0.00 C ATOM 879 CH2 TRP A 58 2.359 7.138 13.729 1.00 0.00 C ATOM 0 H TRP A 58 5.482 1.227 10.256 1.00 0.00 H new ATOM 0 HA TRP A 58 3.857 3.434 9.181 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.086 3.183 11.215 1.00 0.00 H new ATOM 0 HB3 TRP A 58 5.697 4.738 10.506 1.00 0.00 H new ATOM 0 HD1 TRP A 58 3.501 1.897 12.087 1.00 0.00 H new ATOM 0 HE1 TRP A 58 1.799 2.978 13.706 1.00 0.00 H new ATOM 0 HE3 TRP A 58 4.886 6.778 11.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 1.168 5.578 14.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 3.681 8.514 12.740 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.849 7.919 14.273 1.00 0.00 H new ATOM 890 N LEU A 59 5.474 4.354 7.517 1.00 0.00 N ATOM 891 CA LEU A 59 6.324 4.751 6.400 1.00 0.00 C ATOM 892 C LEU A 59 6.109 6.219 6.046 1.00 0.00 C ATOM 893 O LEU A 59 5.108 6.821 6.434 1.00 0.00 O ATOM 894 CB LEU A 59 6.040 3.873 5.180 1.00 0.00 C ATOM 895 CG LEU A 59 6.885 2.606 5.053 1.00 0.00 C ATOM 896 CD1 LEU A 59 6.331 1.701 3.963 1.00 0.00 C ATOM 897 CD2 LEU A 59 8.338 2.959 4.768 1.00 0.00 C ATOM 0 H LEU A 59 4.609 4.889 7.599 1.00 0.00 H new ATOM 0 HA LEU A 59 7.363 4.618 6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.989 3.584 5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.186 4.474 4.283 1.00 0.00 H new ATOM 0 HG LEU A 59 6.842 2.068 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.946 0.804 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.307 1.419 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.342 2.230 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.924 2.044 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.400 3.520 3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.732 3.566 5.583 1.00 0.00 H new ATOM 909 N PHE A 60 7.054 6.788 5.305 1.00 0.00 N ATOM 910 CA PHE A 60 6.967 8.186 4.897 1.00 0.00 C ATOM 911 C PHE A 60 6.643 8.299 3.410 1.00 0.00 C ATOM 912 O PHE A 60 7.256 7.631 2.578 1.00 0.00 O ATOM 913 CB PHE A 60 8.280 8.911 5.202 1.00 0.00 C ATOM 914 CG PHE A 60 8.101 10.370 5.510 1.00 0.00 C ATOM 915 CD1 PHE A 60 7.692 10.780 6.769 1.00 0.00 C ATOM 916 CD2 PHE A 60 8.343 11.331 4.542 1.00 0.00 C ATOM 917 CE1 PHE A 60 7.526 12.122 7.055 1.00 0.00 C ATOM 918 CE2 PHE A 60 8.179 12.674 4.823 1.00 0.00 C ATOM 919 CZ PHE A 60 7.771 13.070 6.082 1.00 0.00 C ATOM 0 H PHE A 60 7.888 6.303 4.975 1.00 0.00 H new ATOM 0 HA PHE A 60 6.162 8.655 5.463 1.00 0.00 H new ATOM 0 HB2 PHE A 60 8.765 8.426 6.049 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.950 8.807 4.348 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.501 10.043 7.535 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.664 11.027 3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.205 12.429 8.039 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.370 13.413 4.059 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.644 14.119 6.305 1.00 0.00 H new ATOM 929 N TYR A 61 5.676 9.150 3.085 1.00 0.00 N ATOM 930 CA TYR A 61 5.268 9.349 1.699 1.00 0.00 C ATOM 931 C TYR A 61 6.480 9.376 0.773 1.00 0.00 C ATOM 932 O TYR A 61 6.411 8.927 -0.372 1.00 0.00 O ATOM 933 CB TYR A 61 4.478 10.652 1.561 1.00 0.00 C ATOM 934 CG TYR A 61 5.331 11.894 1.682 1.00 0.00 C ATOM 935 CD1 TYR A 61 5.970 12.433 0.572 1.00 0.00 C ATOM 936 CD2 TYR A 61 5.499 12.529 2.907 1.00 0.00 C ATOM 937 CE1 TYR A 61 6.752 13.567 0.678 1.00 0.00 C ATOM 938 CE2 TYR A 61 6.277 13.664 3.022 1.00 0.00 C ATOM 939 CZ TYR A 61 6.902 14.179 1.905 1.00 0.00 C ATOM 940 OH TYR A 61 7.678 15.310 2.015 1.00 0.00 O ATOM 0 H TYR A 61 5.160 9.713 3.762 1.00 0.00 H new ATOM 0 HA TYR A 61 4.631 8.513 1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.974 10.661 0.595 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.702 10.679 2.326 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.853 11.957 -0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.013 12.128 3.784 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.243 13.972 -0.195 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.396 14.146 3.981 1.00 0.00 H new ATOM 0 HH TYR A 61 7.679 15.617 2.946 1.00 0.00 H new ATOM 950 N LEU A 62 7.590 9.904 1.277 1.00 0.00 N ATOM 951 CA LEU A 62 8.819 9.989 0.496 1.00 0.00 C ATOM 952 C LEU A 62 9.188 8.630 -0.089 1.00 0.00 C ATOM 953 O LEU A 62 9.518 8.520 -1.270 1.00 0.00 O ATOM 954 CB LEU A 62 9.964 10.510 1.367 1.00 0.00 C ATOM 955 CG LEU A 62 10.000 12.021 1.596 1.00 0.00 C ATOM 956 CD1 LEU A 62 10.859 12.358 2.805 1.00 0.00 C ATOM 957 CD2 LEU A 62 10.516 12.736 0.356 1.00 0.00 C ATOM 0 H LEU A 62 7.664 10.279 2.222 1.00 0.00 H new ATOM 0 HA LEU A 62 8.650 10.684 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.909 10.017 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.907 10.210 0.910 1.00 0.00 H new ATOM 0 HG LEU A 62 8.984 12.364 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.873 13.438 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.445 11.876 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.876 12.002 2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.535 13.811 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.524 12.389 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.859 12.522 -0.487 1.00 0.00 H new ATOM 969 N ASP A 63 9.127 7.597 0.743 1.00 0.00 N ATOM 970 CA ASP A 63 9.451 6.243 0.307 1.00 0.00 C ATOM 971 C ASP A 63 9.007 6.016 -1.134 1.00 0.00 C ATOM 972 O ASP A 63 8.059 6.642 -1.609 1.00 0.00 O ATOM 973 CB ASP A 63 8.788 5.216 1.227 1.00 0.00 C ATOM 974 CG ASP A 63 9.666 4.841 2.404 1.00 0.00 C ATOM 975 OD1 ASP A 63 10.101 5.755 3.134 1.00 0.00 O ATOM 976 OD2 ASP A 63 9.919 3.632 2.594 1.00 0.00 O ATOM 0 H ASP A 63 8.856 7.671 1.724 1.00 0.00 H new ATOM 0 HA ASP A 63 10.533 6.120 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.844 5.618 1.595 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.551 4.319 0.654 1.00 0.00 H new ATOM 981 N TYR A 64 9.698 5.116 -1.825 1.00 0.00 N ATOM 982 CA TYR A 64 9.377 4.808 -3.214 1.00 0.00 C ATOM 983 C TYR A 64 8.474 3.583 -3.306 1.00 0.00 C ATOM 984 O TYR A 64 7.538 3.546 -4.105 1.00 0.00 O ATOM 985 CB TYR A 64 10.659 4.572 -4.015 1.00 0.00 C ATOM 986 CG TYR A 64 10.493 3.581 -5.144 1.00 0.00 C ATOM 987 CD1 TYR A 64 10.406 2.217 -4.891 1.00 0.00 C ATOM 988 CD2 TYR A 64 10.424 4.007 -6.465 1.00 0.00 C ATOM 989 CE1 TYR A 64 10.255 1.307 -5.919 1.00 0.00 C ATOM 990 CE2 TYR A 64 10.272 3.104 -7.500 1.00 0.00 C ATOM 991 CZ TYR A 64 10.188 1.756 -7.222 1.00 0.00 C ATOM 992 OH TYR A 64 10.038 0.854 -8.250 1.00 0.00 O ATOM 0 H TYR A 64 10.484 4.587 -1.446 1.00 0.00 H new ATOM 0 HA TYR A 64 8.845 5.661 -3.635 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.002 5.522 -4.424 1.00 0.00 H new ATOM 0 HB3 TYR A 64 11.438 4.215 -3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 64 10.457 1.862 -3.872 1.00 0.00 H new ATOM 0 HD2 TYR A 64 10.490 5.062 -6.687 1.00 0.00 H new ATOM 0 HE1 TYR A 64 10.190 0.251 -5.704 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.219 3.452 -8.521 1.00 0.00 H new ATOM 0 HH TYR A 64 10.007 1.334 -9.104 1.00 0.00 H new ATOM 1002 N ARG A 65 8.761 2.581 -2.481 1.00 0.00 N ATOM 1003 CA ARG A 65 7.976 1.353 -2.468 1.00 0.00 C ATOM 1004 C ARG A 65 6.494 1.652 -2.677 1.00 0.00 C ATOM 1005 O ARG A 65 5.749 0.821 -3.199 1.00 0.00 O ATOM 1006 CB ARG A 65 8.174 0.609 -1.146 1.00 0.00 C ATOM 1007 CG ARG A 65 7.800 1.429 0.077 1.00 0.00 C ATOM 1008 CD ARG A 65 8.451 0.881 1.337 1.00 0.00 C ATOM 1009 NE ARG A 65 9.897 1.084 1.339 1.00 0.00 N ATOM 1010 CZ ARG A 65 10.700 0.640 2.299 1.00 0.00 C ATOM 1011 NH1 ARG A 65 10.201 -0.028 3.330 1.00 0.00 N ATOM 1012 NH2 ARG A 65 12.006 0.864 2.230 1.00 0.00 N ATOM 0 H ARG A 65 9.532 2.596 -1.813 1.00 0.00 H new ATOM 0 HA ARG A 65 8.322 0.723 -3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.576 -0.302 -1.159 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.217 0.304 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.106 2.465 -0.071 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.717 1.431 0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.016 1.367 2.210 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.234 -0.184 1.423 1.00 0.00 H new ATOM 0 HE ARG A 65 10.313 1.595 0.560 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.198 -0.202 3.387 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.821 -0.368 4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.394 1.378 1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.622 0.522 2.968 1.00 0.00 H new ATOM 1026 N LEU A 66 6.073 2.844 -2.267 1.00 0.00 N ATOM 1027 CA LEU A 66 4.680 3.253 -2.409 1.00 0.00 C ATOM 1028 C LEU A 66 4.239 3.188 -3.868 1.00 0.00 C ATOM 1029 O LEU A 66 5.060 3.289 -4.779 1.00 0.00 O ATOM 1030 CB LEU A 66 4.488 4.672 -1.869 1.00 0.00 C ATOM 1031 CG LEU A 66 4.706 4.853 -0.366 1.00 0.00 C ATOM 1032 CD1 LEU A 66 4.975 6.314 -0.039 1.00 0.00 C ATOM 1033 CD2 LEU A 66 3.502 4.343 0.412 1.00 0.00 C ATOM 0 H LEU A 66 6.676 3.543 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 66 4.064 2.564 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.172 5.336 -2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.476 4.998 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 66 5.578 4.269 -0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.128 6.424 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.868 6.647 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.123 6.919 -0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.674 4.480 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.614 4.900 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.354 3.284 0.201 1.00 0.00 H new ATOM 1045 N ARG A 67 2.938 3.021 -4.080 1.00 0.00 N ATOM 1046 CA ARG A 67 2.388 2.943 -5.428 1.00 0.00 C ATOM 1047 C ARG A 67 0.863 2.996 -5.397 1.00 0.00 C ATOM 1048 O ARG A 67 0.210 2.314 -4.607 1.00 0.00 O ATOM 1049 CB ARG A 67 2.851 1.659 -6.118 1.00 0.00 C ATOM 1050 CG ARG A 67 2.840 1.744 -7.635 1.00 0.00 C ATOM 1051 CD ARG A 67 3.923 2.679 -8.148 1.00 0.00 C ATOM 1052 NE ARG A 67 5.178 1.975 -8.401 1.00 0.00 N ATOM 1053 CZ ARG A 67 5.447 1.335 -9.534 1.00 0.00 C ATOM 1054 NH1 ARG A 67 4.554 1.311 -10.513 1.00 0.00 N ATOM 1055 NH2 ARG A 67 6.612 0.719 -9.689 1.00 0.00 N ATOM 0 H ARG A 67 2.245 2.937 -3.336 1.00 0.00 H new ATOM 0 HA ARG A 67 2.753 3.801 -5.992 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.861 1.421 -5.783 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.209 0.836 -5.804 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.986 0.750 -8.057 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.865 2.094 -7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.584 3.157 -9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.092 3.472 -7.420 1.00 0.00 H new ATOM 0 HE ARG A 67 5.887 1.975 -7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.658 1.784 -10.398 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.763 0.819 -11.382 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.302 0.736 -8.938 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.817 0.228 -10.559 1.00 0.00 H new ATOM 1069 N PRO A 68 0.282 3.825 -6.276 1.00 0.00 N ATOM 1070 CA PRO A 68 -1.172 3.987 -6.369 1.00 0.00 C ATOM 1071 C PRO A 68 -1.858 2.748 -6.935 1.00 0.00 C ATOM 1072 O PRO A 68 -1.311 2.064 -7.799 1.00 0.00 O ATOM 1073 CB PRO A 68 -1.337 5.173 -7.323 1.00 0.00 C ATOM 1074 CG PRO A 68 -0.096 5.170 -8.148 1.00 0.00 C ATOM 1075 CD PRO A 68 0.998 4.669 -7.247 1.00 0.00 C ATOM 0 HA PRO A 68 -1.628 4.143 -5.391 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.226 5.061 -7.944 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.447 6.109 -6.776 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.209 4.526 -9.020 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.130 6.170 -8.517 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.745 4.100 -7.800 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.522 5.490 -6.757 1.00 0.00 H new ATOM 1083 N VAL A 69 -3.060 2.466 -6.442 1.00 0.00 N ATOM 1084 CA VAL A 69 -3.822 1.310 -6.899 1.00 0.00 C ATOM 1085 C VAL A 69 -4.073 1.377 -8.402 1.00 0.00 C ATOM 1086 O VAL A 69 -4.514 2.400 -8.923 1.00 0.00 O ATOM 1087 CB VAL A 69 -5.174 1.204 -6.169 1.00 0.00 C ATOM 1088 CG1 VAL A 69 -5.987 0.041 -6.717 1.00 0.00 C ATOM 1089 CG2 VAL A 69 -4.959 1.055 -4.670 1.00 0.00 C ATOM 0 H VAL A 69 -3.527 3.022 -5.726 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.225 0.427 -6.671 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.735 2.122 -6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.939 -0.018 -6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.171 0.195 -7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.435 -0.888 -6.575 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.924 0.981 -4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.379 0.153 -4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.419 1.923 -4.292 1.00 0.00 H new ATOM 1099 N GLY A 70 -3.788 0.278 -9.094 1.00 0.00 N ATOM 1100 CA GLY A 70 -3.989 0.232 -10.530 1.00 0.00 C ATOM 1101 C GLY A 70 -2.790 -0.332 -11.266 1.00 0.00 C ATOM 1102 O GLY A 70 -2.926 -0.877 -12.361 1.00 0.00 O ATOM 0 H GLY A 70 -3.421 -0.582 -8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.866 -0.376 -10.752 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.197 1.237 -10.897 1.00 0.00 H new ATOM 1106 N TRP A 71 -1.613 -0.200 -10.664 1.00 0.00 N ATOM 1107 CA TRP A 71 -0.385 -0.700 -11.271 1.00 0.00 C ATOM 1108 C TRP A 71 -0.215 -2.192 -11.006 1.00 0.00 C ATOM 1109 O TRP A 71 0.160 -2.952 -11.899 1.00 0.00 O ATOM 1110 CB TRP A 71 0.823 0.067 -10.732 1.00 0.00 C ATOM 1111 CG TRP A 71 1.437 -0.566 -9.520 1.00 0.00 C ATOM 1112 CD1 TRP A 71 0.877 -0.672 -8.279 1.00 0.00 C ATOM 1113 CD2 TRP A 71 2.729 -1.177 -9.434 1.00 0.00 C ATOM 1114 NE1 TRP A 71 1.743 -1.313 -7.426 1.00 0.00 N ATOM 1115 CE2 TRP A 71 2.886 -1.634 -8.111 1.00 0.00 C ATOM 1116 CE3 TRP A 71 3.767 -1.385 -10.345 1.00 0.00 C ATOM 1117 CZ2 TRP A 71 4.039 -2.284 -7.680 1.00 0.00 C ATOM 1118 CZ3 TRP A 71 4.911 -2.030 -9.916 1.00 0.00 C ATOM 1119 CH2 TRP A 71 5.040 -2.474 -8.593 1.00 0.00 C ATOM 0 H TRP A 71 -1.483 0.249 -9.757 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.453 -0.547 -12.348 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.577 0.140 -11.516 1.00 0.00 H new ATOM 0 HB3 TRP A 71 0.518 1.084 -10.487 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.102 -0.306 -8.008 1.00 0.00 H new ATOM 0 HE1 TRP A 71 1.564 -1.517 -6.443 1.00 0.00 H new ATOM 0 HE3 TRP A 71 3.677 -1.048 -11.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 4.140 -2.626 -6.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.720 -2.195 -10.612 1.00 0.00 H new ATOM 0 HH2 TRP A 71 5.947 -2.976 -8.288 1.00 0.00 H new ATOM 1130 N CYS A 72 -0.492 -2.605 -9.774 1.00 0.00 N ATOM 1131 CA CYS A 72 -0.369 -4.007 -9.391 1.00 0.00 C ATOM 1132 C CYS A 72 -1.690 -4.742 -9.588 1.00 0.00 C ATOM 1133 O CYS A 72 -2.097 -5.543 -8.746 1.00 0.00 O ATOM 1134 CB CYS A 72 0.080 -4.122 -7.934 1.00 0.00 C ATOM 1135 SG CYS A 72 0.789 -5.729 -7.504 1.00 0.00 S ATOM 0 H CYS A 72 -0.803 -1.989 -9.023 1.00 0.00 H new ATOM 0 HA CYS A 72 0.382 -4.469 -10.032 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.817 -3.345 -7.730 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.774 -3.929 -7.285 1.00 0.00 H new ATOM 0 HG CYS A 72 1.970 -5.558 -6.989 1.00 0.00 H new ATOM 1141 N GLN A 73 -2.355 -4.464 -10.705 1.00 0.00 N ATOM 1142 CA GLN A 73 -3.632 -5.098 -11.011 1.00 0.00 C ATOM 1143 C GLN A 73 -3.550 -5.888 -12.313 1.00 0.00 C ATOM 1144 O GLN A 73 -4.075 -6.996 -12.411 1.00 0.00 O ATOM 1145 CB GLN A 73 -4.738 -4.046 -11.108 1.00 0.00 C ATOM 1146 CG GLN A 73 -4.636 -2.956 -10.052 1.00 0.00 C ATOM 1147 CD GLN A 73 -5.985 -2.376 -9.680 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -6.618 -1.684 -10.479 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -6.435 -2.655 -8.463 1.00 0.00 N ATOM 0 H GLN A 73 -2.031 -3.805 -11.412 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.868 -5.789 -10.202 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.706 -3.587 -12.096 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.706 -4.539 -11.017 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.161 -3.364 -9.159 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.991 -2.158 -10.420 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.878 -3.232 -7.833 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.338 -2.292 -8.158 1.00 0.00 H new ATOM 1158 N GLU A 74 -2.887 -5.309 -13.309 1.00 0.00 N ATOM 1159 CA GLU A 74 -2.738 -5.960 -14.606 1.00 0.00 C ATOM 1160 C GLU A 74 -2.327 -7.420 -14.438 1.00 0.00 C ATOM 1161 O GLU A 74 -2.010 -7.863 -13.335 1.00 0.00 O ATOM 1162 CB GLU A 74 -1.701 -5.221 -15.455 1.00 0.00 C ATOM 1163 CG GLU A 74 -1.811 -5.517 -16.942 1.00 0.00 C ATOM 1164 CD GLU A 74 -3.247 -5.540 -17.428 1.00 0.00 C ATOM 1165 OE1 GLU A 74 -3.792 -4.456 -17.724 1.00 0.00 O ATOM 1166 OE2 GLU A 74 -3.826 -6.644 -17.512 1.00 0.00 O ATOM 0 H GLU A 74 -2.445 -4.392 -13.243 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.702 -5.928 -15.113 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.812 -4.148 -15.297 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.703 -5.492 -15.112 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.254 -4.764 -17.500 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.345 -6.480 -17.152 1.00 0.00 H new ATOM 1173 N ASN A 75 -2.337 -8.162 -15.541 1.00 0.00 N ATOM 1174 CA ASN A 75 -1.967 -9.572 -15.516 1.00 0.00 C ATOM 1175 C ASN A 75 -0.456 -9.741 -15.648 1.00 0.00 C ATOM 1176 O ASN A 75 0.021 -10.611 -16.376 1.00 0.00 O ATOM 1177 CB ASN A 75 -2.676 -10.326 -16.643 1.00 0.00 C ATOM 1178 CG ASN A 75 -2.292 -11.793 -16.688 1.00 0.00 C ATOM 1179 OD1 ASN A 75 -1.704 -12.321 -15.744 1.00 0.00 O ATOM 1180 ND2 ASN A 75 -2.624 -12.458 -17.788 1.00 0.00 N ATOM 0 H ASN A 75 -2.597 -7.810 -16.462 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.278 -9.987 -14.557 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.755 -10.239 -16.512 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.432 -9.860 -17.598 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.392 -13.447 -17.875 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.111 -11.980 -18.546 1.00 0.00 H new ATOM 1187 N LYS A 76 0.291 -8.902 -14.938 1.00 0.00 N ATOM 1188 CA LYS A 76 1.748 -8.958 -14.972 1.00 0.00 C ATOM 1189 C LYS A 76 2.310 -9.339 -13.606 1.00 0.00 C ATOM 1190 O LYS A 76 3.007 -10.345 -13.470 1.00 0.00 O ATOM 1191 CB LYS A 76 2.320 -7.609 -15.414 1.00 0.00 C ATOM 1192 CG LYS A 76 1.648 -7.039 -16.651 1.00 0.00 C ATOM 1193 CD LYS A 76 2.330 -7.511 -17.924 1.00 0.00 C ATOM 1194 CE LYS A 76 1.730 -8.816 -18.426 1.00 0.00 C ATOM 1195 NZ LYS A 76 0.542 -8.583 -19.293 1.00 0.00 N ATOM 0 H LYS A 76 -0.089 -8.175 -14.332 1.00 0.00 H new ATOM 0 HA LYS A 76 2.041 -9.723 -15.691 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.220 -6.896 -14.596 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.386 -7.723 -15.610 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.600 -7.337 -16.667 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.669 -5.950 -16.608 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.235 -6.746 -18.694 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.396 -7.647 -17.739 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.484 -9.371 -18.984 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.443 -9.435 -17.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.162 -9.496 -19.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.188 -8.076 -18.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.820 -8.014 -20.118 1.00 0.00 H new ATOM 1209 N TYR A 77 2.003 -8.529 -12.599 1.00 0.00 N ATOM 1210 CA TYR A 77 2.479 -8.781 -11.244 1.00 0.00 C ATOM 1211 C TYR A 77 1.478 -9.627 -10.463 1.00 0.00 C ATOM 1212 O TYR A 77 0.438 -10.023 -10.991 1.00 0.00 O ATOM 1213 CB TYR A 77 2.725 -7.459 -10.514 1.00 0.00 C ATOM 1214 CG TYR A 77 4.045 -6.811 -10.865 1.00 0.00 C ATOM 1215 CD1 TYR A 77 5.221 -7.550 -10.887 1.00 0.00 C ATOM 1216 CD2 TYR A 77 4.116 -5.458 -11.176 1.00 0.00 C ATOM 1217 CE1 TYR A 77 6.429 -6.962 -11.207 1.00 0.00 C ATOM 1218 CE2 TYR A 77 5.320 -4.861 -11.497 1.00 0.00 C ATOM 1219 CZ TYR A 77 6.473 -5.617 -11.511 1.00 0.00 C ATOM 1220 OH TYR A 77 7.675 -5.027 -11.831 1.00 0.00 O ATOM 0 H TYR A 77 1.427 -7.693 -12.695 1.00 0.00 H new ATOM 0 HA TYR A 77 3.417 -9.332 -11.312 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.916 -6.767 -10.750 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.691 -7.635 -9.439 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.190 -8.603 -10.650 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.215 -4.863 -11.167 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.334 -7.552 -11.219 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.358 -3.808 -11.736 1.00 0.00 H new ATOM 0 HH TYR A 77 7.533 -4.076 -12.020 1.00 0.00 H new ATOM 1230 N ARG A 78 1.799 -9.900 -9.203 1.00 0.00 N ATOM 1231 CA ARG A 78 0.930 -10.699 -8.348 1.00 0.00 C ATOM 1232 C ARG A 78 0.503 -9.908 -7.115 1.00 0.00 C ATOM 1233 O ARG A 78 1.304 -9.189 -6.519 1.00 0.00 O ATOM 1234 CB ARG A 78 1.641 -11.984 -7.921 1.00 0.00 C ATOM 1235 CG ARG A 78 0.898 -12.764 -6.848 1.00 0.00 C ATOM 1236 CD ARG A 78 -0.466 -13.224 -7.338 1.00 0.00 C ATOM 1237 NE ARG A 78 -0.365 -14.365 -8.245 1.00 0.00 N ATOM 1238 CZ ARG A 78 -0.235 -15.621 -7.834 1.00 0.00 C ATOM 1239 NH1 ARG A 78 -0.191 -15.897 -6.538 1.00 0.00 N ATOM 1240 NH2 ARG A 78 -0.150 -16.605 -8.720 1.00 0.00 N ATOM 0 H ARG A 78 2.655 -9.579 -8.751 1.00 0.00 H new ATOM 0 HA ARG A 78 0.038 -10.957 -8.919 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.776 -12.622 -8.794 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.636 -11.734 -7.553 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.490 -13.630 -6.550 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.776 -12.141 -5.962 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.086 -13.494 -6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.966 -12.400 -7.847 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.396 -14.187 -9.249 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.257 -15.144 -5.854 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.091 -16.863 -6.225 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.184 -16.397 -9.718 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.050 -17.569 -8.403 1.00 0.00 H new ATOM 1254 N MET A 79 -0.765 -10.045 -6.740 1.00 0.00 N ATOM 1255 CA MET A 79 -1.298 -9.344 -5.578 1.00 0.00 C ATOM 1256 C MET A 79 -1.614 -10.321 -4.451 1.00 0.00 C ATOM 1257 O MET A 79 -2.711 -10.877 -4.388 1.00 0.00 O ATOM 1258 CB MET A 79 -2.557 -8.563 -5.960 1.00 0.00 C ATOM 1259 CG MET A 79 -3.106 -7.705 -4.832 1.00 0.00 C ATOM 1260 SD MET A 79 -3.951 -6.228 -5.430 1.00 0.00 S ATOM 1261 CE MET A 79 -2.572 -5.098 -5.607 1.00 0.00 C ATOM 0 H MET A 79 -1.442 -10.635 -7.224 1.00 0.00 H new ATOM 0 HA MET A 79 -0.539 -8.646 -5.227 1.00 0.00 H new ATOM 0 HB2 MET A 79 -2.333 -7.925 -6.815 1.00 0.00 H new ATOM 0 HB3 MET A 79 -3.327 -9.265 -6.279 1.00 0.00 H new ATOM 0 HG2 MET A 79 -3.798 -8.298 -4.234 1.00 0.00 H new ATOM 0 HG3 MET A 79 -2.288 -7.410 -4.174 1.00 0.00 H new ATOM 0 HE1 MET A 79 -2.895 -4.088 -5.355 1.00 0.00 H new ATOM 0 HE2 MET A 79 -1.767 -5.399 -4.937 1.00 0.00 H new ATOM 0 HE3 MET A 79 -2.214 -5.119 -6.636 1.00 0.00 H new ATOM 1271 N ASP A 80 -0.647 -10.526 -3.563 1.00 0.00 N ATOM 1272 CA ASP A 80 -0.823 -11.437 -2.437 1.00 0.00 C ATOM 1273 C ASP A 80 -0.088 -10.923 -1.204 1.00 0.00 C ATOM 1274 O ASP A 80 1.018 -10.389 -1.288 1.00 0.00 O ATOM 1275 CB ASP A 80 -0.322 -12.835 -2.801 1.00 0.00 C ATOM 1276 CG ASP A 80 -1.062 -13.928 -2.056 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -2.241 -14.177 -2.385 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -0.462 -14.535 -1.145 1.00 0.00 O ATOM 0 H ASP A 80 0.267 -10.074 -3.601 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.887 -11.491 -2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.435 -12.990 -3.874 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.743 -12.905 -2.579 1.00 0.00 H new ATOM 1283 N PRO A 81 -0.714 -11.088 -0.029 1.00 0.00 N ATOM 1284 CA PRO A 81 -0.138 -10.648 1.244 1.00 0.00 C ATOM 1285 C PRO A 81 1.066 -11.489 1.657 1.00 0.00 C ATOM 1286 O PRO A 81 1.304 -12.576 1.131 1.00 0.00 O ATOM 1287 CB PRO A 81 -1.287 -10.835 2.238 1.00 0.00 C ATOM 1288 CG PRO A 81 -2.140 -11.898 1.635 1.00 0.00 C ATOM 1289 CD PRO A 81 -2.034 -11.717 0.145 1.00 0.00 C ATOM 0 HA PRO A 81 0.235 -9.625 1.190 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.917 -11.133 3.219 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.846 -9.909 2.376 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.798 -12.889 1.933 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.174 -11.804 1.967 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.098 -12.670 -0.381 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.834 -11.085 -0.241 1.00 0.00 H new ATOM 1297 N PRO A 82 1.843 -10.976 2.623 1.00 0.00 N ATOM 1298 CA PRO A 82 3.035 -11.665 3.128 1.00 0.00 C ATOM 1299 C PRO A 82 2.685 -12.911 3.935 1.00 0.00 C ATOM 1300 O PRO A 82 1.621 -12.987 4.549 1.00 0.00 O ATOM 1301 CB PRO A 82 3.697 -10.616 4.025 1.00 0.00 C ATOM 1302 CG PRO A 82 2.583 -9.722 4.449 1.00 0.00 C ATOM 1303 CD PRO A 82 1.619 -9.686 3.296 1.00 0.00 C ATOM 0 HA PRO A 82 3.675 -12.020 2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.182 -11.079 4.884 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.466 -10.062 3.486 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.100 -10.101 5.350 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.951 -8.723 4.681 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.589 -9.584 3.637 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.819 -8.846 2.631 1.00 0.00 H new ATOM 1311 N SER A 83 3.589 -13.886 3.930 1.00 0.00 N ATOM 1312 CA SER A 83 3.374 -15.131 4.659 1.00 0.00 C ATOM 1313 C SER A 83 3.461 -14.900 6.165 1.00 0.00 C ATOM 1314 O SER A 83 3.302 -15.829 6.955 1.00 0.00 O ATOM 1315 CB SER A 83 4.403 -16.180 4.233 1.00 0.00 C ATOM 1316 OG SER A 83 5.720 -15.662 4.306 1.00 0.00 O ATOM 0 H SER A 83 4.477 -13.838 3.430 1.00 0.00 H new ATOM 0 HA SER A 83 2.374 -15.495 4.421 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.318 -17.058 4.873 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.193 -16.507 3.215 1.00 0.00 H new ATOM 0 HG SER A 83 6.359 -16.352 4.030 1.00 0.00 H new ATOM 1322 N GLU A 84 3.712 -13.654 6.553 1.00 0.00 N ATOM 1323 CA GLU A 84 3.821 -13.301 7.963 1.00 0.00 C ATOM 1324 C GLU A 84 2.440 -13.190 8.604 1.00 0.00 C ATOM 1325 O GLU A 84 2.295 -13.332 9.819 1.00 0.00 O ATOM 1326 CB GLU A 84 4.577 -11.980 8.125 1.00 0.00 C ATOM 1327 CG GLU A 84 4.517 -11.413 9.533 1.00 0.00 C ATOM 1328 CD GLU A 84 5.703 -10.525 9.855 1.00 0.00 C ATOM 1329 OE1 GLU A 84 6.059 -9.679 9.008 1.00 0.00 O ATOM 1330 OE2 GLU A 84 6.276 -10.676 10.955 1.00 0.00 O ATOM 0 H GLU A 84 3.844 -12.872 5.911 1.00 0.00 H new ATOM 0 HA GLU A 84 4.375 -14.093 8.467 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.620 -12.132 7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.166 -11.248 7.430 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.597 -10.841 9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.477 -12.233 10.250 1.00 0.00 H new ATOM 1337 N ILE A 85 1.430 -12.935 7.779 1.00 0.00 N ATOM 1338 CA ILE A 85 0.062 -12.806 8.264 1.00 0.00 C ATOM 1339 C ILE A 85 -0.843 -13.866 7.646 1.00 0.00 C ATOM 1340 O ILE A 85 -1.843 -14.267 8.241 1.00 0.00 O ATOM 1341 CB ILE A 85 -0.516 -11.412 7.956 1.00 0.00 C ATOM 1342 CG1 ILE A 85 -0.551 -11.173 6.445 1.00 0.00 C ATOM 1343 CG2 ILE A 85 0.304 -10.334 8.650 1.00 0.00 C ATOM 1344 CD1 ILE A 85 -1.166 -9.846 6.058 1.00 0.00 C ATOM 0 H ILE A 85 1.534 -12.814 6.772 1.00 0.00 H new ATOM 0 HA ILE A 85 0.097 -12.946 9.344 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.537 -11.366 8.336 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.465 -11.221 6.054 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.114 -11.977 5.971 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.117 -9.354 8.423 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.282 -10.497 9.727 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.334 -10.377 8.297 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.158 -9.744 4.973 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.194 -9.802 6.419 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.590 -9.035 6.503 1.00 0.00 H new ATOM 1356 N TYR A 86 -0.484 -14.318 6.450 1.00 0.00 N ATOM 1357 CA TYR A 86 -1.264 -15.332 5.750 1.00 0.00 C ATOM 1358 C TYR A 86 -1.615 -16.488 6.682 1.00 0.00 C ATOM 1359 O TYR A 86 -2.767 -16.908 6.784 1.00 0.00 O ATOM 1360 CB TYR A 86 -0.489 -15.855 4.539 1.00 0.00 C ATOM 1361 CG TYR A 86 -1.371 -16.214 3.365 1.00 0.00 C ATOM 1362 CD1 TYR A 86 -2.222 -17.311 3.419 1.00 0.00 C ATOM 1363 CD2 TYR A 86 -1.355 -15.454 2.201 1.00 0.00 C ATOM 1364 CE1 TYR A 86 -3.029 -17.642 2.348 1.00 0.00 C ATOM 1365 CE2 TYR A 86 -2.160 -15.778 1.126 1.00 0.00 C ATOM 1366 CZ TYR A 86 -2.994 -16.873 1.204 1.00 0.00 C ATOM 1367 OH TYR A 86 -3.798 -17.199 0.135 1.00 0.00 O ATOM 0 H TYR A 86 0.342 -13.998 5.945 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.190 -14.871 5.408 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.230 -15.099 4.224 1.00 0.00 H new ATOM 0 HB3 TYR A 86 0.082 -16.735 4.836 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.253 -17.915 4.314 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.702 -14.596 2.136 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.684 -18.499 2.406 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.136 -15.177 0.229 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.654 -16.557 -0.591 1.00 0.00 H new ATOM 1377 N PRO A 87 -0.597 -17.015 7.378 1.00 0.00 N ATOM 1378 CA PRO A 87 -0.772 -18.129 8.315 1.00 0.00 C ATOM 1379 C PRO A 87 -1.544 -17.719 9.565 1.00 0.00 C ATOM 1380 O PRO A 87 -1.622 -18.475 10.534 1.00 0.00 O ATOM 1381 CB PRO A 87 0.664 -18.517 8.677 1.00 0.00 C ATOM 1382 CG PRO A 87 1.459 -17.277 8.456 1.00 0.00 C ATOM 1383 CD PRO A 87 0.803 -16.564 7.305 1.00 0.00 C ATOM 0 HA PRO A 87 -1.351 -18.943 7.877 1.00 0.00 H new ATOM 0 HB2 PRO A 87 0.734 -18.853 9.711 1.00 0.00 H new ATOM 0 HB3 PRO A 87 1.023 -19.334 8.051 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.465 -16.653 9.350 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.498 -17.515 8.227 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.882 -15.482 7.405 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.262 -16.831 6.353 1.00 0.00 H new ATOM 1391 N LEU A 88 -2.114 -16.520 9.536 1.00 0.00 N ATOM 1392 CA LEU A 88 -2.881 -16.010 10.667 1.00 0.00 C ATOM 1393 C LEU A 88 -4.377 -16.051 10.373 1.00 0.00 C ATOM 1394 O LEU A 88 -5.190 -16.285 11.267 1.00 0.00 O ATOM 1395 CB LEU A 88 -2.453 -14.578 10.994 1.00 0.00 C ATOM 1396 CG LEU A 88 -0.959 -14.362 11.235 1.00 0.00 C ATOM 1397 CD1 LEU A 88 -0.682 -12.914 11.609 1.00 0.00 C ATOM 1398 CD2 LEU A 88 -0.452 -15.301 12.319 1.00 0.00 C ATOM 0 H LEU A 88 -2.060 -15.882 8.742 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.681 -16.648 11.528 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.766 -13.931 10.175 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.995 -14.252 11.882 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.426 -14.585 10.311 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.387 -12.780 11.777 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.007 -12.261 10.800 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.227 -12.663 12.519 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.613 -15.133 12.477 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.991 -15.110 13.247 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.615 -16.334 12.011 1.00 0.00 H new ATOM 1410 N LYS A 89 -4.734 -15.824 9.113 1.00 0.00 N ATOM 1411 CA LYS A 89 -6.132 -15.839 8.699 1.00 0.00 C ATOM 1412 C LYS A 89 -6.339 -16.782 7.518 1.00 0.00 C ATOM 1413 O LYS A 89 -5.379 -17.219 6.884 1.00 0.00 O ATOM 1414 CB LYS A 89 -6.589 -14.427 8.324 1.00 0.00 C ATOM 1415 CG LYS A 89 -6.655 -13.476 9.506 1.00 0.00 C ATOM 1416 CD LYS A 89 -6.567 -12.026 9.060 1.00 0.00 C ATOM 1417 CE LYS A 89 -7.891 -11.535 8.494 1.00 0.00 C ATOM 1418 NZ LYS A 89 -7.700 -10.428 7.517 1.00 0.00 N ATOM 0 H LYS A 89 -4.074 -15.627 8.361 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.730 -16.197 9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.907 -14.019 7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.573 -14.484 7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.586 -13.634 10.050 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.841 -13.695 10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.277 -11.401 9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.787 -11.923 8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.408 -12.363 8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.530 -11.194 9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.537 -9.811 7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.859 -9.875 7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.570 -10.824 6.564 1.00 0.00 H new ATOM 1432 N MET A 90 -7.599 -17.092 7.228 1.00 0.00 N ATOM 1433 CA MET A 90 -7.932 -17.981 6.122 1.00 0.00 C ATOM 1434 C MET A 90 -7.681 -17.298 4.781 1.00 0.00 C ATOM 1435 O MET A 90 -7.948 -16.108 4.621 1.00 0.00 O ATOM 1436 CB MET A 90 -9.393 -18.423 6.217 1.00 0.00 C ATOM 1437 CG MET A 90 -9.698 -19.252 7.454 1.00 0.00 C ATOM 1438 SD MET A 90 -9.039 -20.927 7.348 1.00 0.00 S ATOM 1439 CE MET A 90 -7.909 -20.935 8.738 1.00 0.00 C ATOM 0 H MET A 90 -8.406 -16.740 7.744 1.00 0.00 H new ATOM 0 HA MET A 90 -7.290 -18.859 6.188 1.00 0.00 H new ATOM 0 HB2 MET A 90 -10.032 -17.540 6.215 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.647 -19.003 5.330 1.00 0.00 H new ATOM 0 HG2 MET A 90 -9.281 -18.756 8.331 1.00 0.00 H new ATOM 0 HG3 MET A 90 -10.777 -19.299 7.598 1.00 0.00 H new ATOM 0 HE1 MET A 90 -7.422 -21.908 8.805 1.00 0.00 H new ATOM 0 HE2 MET A 90 -7.155 -20.160 8.598 1.00 0.00 H new ATOM 0 HE3 MET A 90 -8.462 -20.742 9.657 1.00 0.00 H new ATOM 1449 N ALA A 91 -7.166 -18.060 3.821 1.00 0.00 N ATOM 1450 CA ALA A 91 -6.881 -17.528 2.495 1.00 0.00 C ATOM 1451 C ALA A 91 -8.054 -16.708 1.968 1.00 0.00 C ATOM 1452 O ALA A 91 -7.865 -15.736 1.237 1.00 0.00 O ATOM 1453 CB ALA A 91 -6.551 -18.660 1.532 1.00 0.00 C ATOM 0 H ALA A 91 -6.938 -19.047 3.938 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.017 -16.868 2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -6.340 -18.248 0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.677 -19.202 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.399 -19.341 1.467 1.00 0.00 H new ATOM 1459 N SER A 92 -9.265 -17.107 2.344 1.00 0.00 N ATOM 1460 CA SER A 92 -10.469 -16.412 1.905 1.00 0.00 C ATOM 1461 C SER A 92 -10.597 -15.059 2.598 1.00 0.00 C ATOM 1462 O SER A 92 -11.010 -14.074 1.986 1.00 0.00 O ATOM 1463 CB SER A 92 -11.708 -17.263 2.191 1.00 0.00 C ATOM 1464 OG SER A 92 -11.838 -18.309 1.243 1.00 0.00 O ATOM 0 H SER A 92 -9.438 -17.908 2.952 1.00 0.00 H new ATOM 0 HA SER A 92 -10.392 -16.246 0.831 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.641 -17.684 3.194 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.598 -16.634 2.168 1.00 0.00 H new ATOM 0 HG SER A 92 -12.636 -18.839 1.448 1.00 0.00 H new ATOM 1470 N GLU A 93 -10.240 -15.020 3.878 1.00 0.00 N ATOM 1471 CA GLU A 93 -10.316 -13.788 4.654 1.00 0.00 C ATOM 1472 C GLU A 93 -9.554 -12.661 3.962 1.00 0.00 C ATOM 1473 O GLU A 93 -10.084 -11.566 3.770 1.00 0.00 O ATOM 1474 CB GLU A 93 -9.754 -14.009 6.060 1.00 0.00 C ATOM 1475 CG GLU A 93 -10.737 -14.674 7.010 1.00 0.00 C ATOM 1476 CD GLU A 93 -10.222 -14.731 8.435 1.00 0.00 C ATOM 1477 OE1 GLU A 93 -10.001 -13.656 9.030 1.00 0.00 O ATOM 1478 OE2 GLU A 93 -10.040 -15.852 8.955 1.00 0.00 O ATOM 0 H GLU A 93 -9.896 -15.827 4.399 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.365 -13.501 4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.856 -14.623 5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.452 -13.048 6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.681 -14.129 6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.945 -15.686 6.662 1.00 0.00 H new ATOM 1485 N TRP A 94 -8.310 -12.937 3.590 1.00 0.00 N ATOM 1486 CA TRP A 94 -7.475 -11.947 2.920 1.00 0.00 C ATOM 1487 C TRP A 94 -8.089 -11.527 1.590 1.00 0.00 C ATOM 1488 O TRP A 94 -7.988 -10.369 1.185 1.00 0.00 O ATOM 1489 CB TRP A 94 -6.069 -12.505 2.693 1.00 0.00 C ATOM 1490 CG TRP A 94 -5.351 -12.843 3.965 1.00 0.00 C ATOM 1491 CD1 TRP A 94 -4.965 -14.084 4.383 1.00 0.00 C ATOM 1492 CD2 TRP A 94 -4.936 -11.927 4.984 1.00 0.00 C ATOM 1493 NE1 TRP A 94 -4.335 -13.995 5.601 1.00 0.00 N ATOM 1494 CE2 TRP A 94 -4.304 -12.682 5.991 1.00 0.00 C ATOM 1495 CE3 TRP A 94 -5.035 -10.542 5.143 1.00 0.00 C ATOM 1496 CZ2 TRP A 94 -3.776 -12.098 7.139 1.00 0.00 C ATOM 1497 CZ3 TRP A 94 -4.511 -9.963 6.283 1.00 0.00 C ATOM 1498 CH2 TRP A 94 -3.887 -10.740 7.269 1.00 0.00 C ATOM 0 H TRP A 94 -7.857 -13.838 3.741 1.00 0.00 H new ATOM 0 HA TRP A 94 -7.411 -11.069 3.562 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.137 -13.399 2.074 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.482 -11.775 2.136 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -5.130 -15.001 3.837 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -3.952 -14.779 6.129 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -5.513 -9.935 4.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -3.296 -12.695 7.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -4.583 -8.894 6.417 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.486 -10.258 8.148 1.00 0.00 H new ATOM 1509 N LYS A 95 -8.727 -12.476 0.912 1.00 0.00 N ATOM 1510 CA LYS A 95 -9.360 -12.204 -0.373 1.00 0.00 C ATOM 1511 C LYS A 95 -10.585 -11.313 -0.199 1.00 0.00 C ATOM 1512 O LYS A 95 -10.834 -10.418 -1.008 1.00 0.00 O ATOM 1513 CB LYS A 95 -9.762 -13.515 -1.053 1.00 0.00 C ATOM 1514 CG LYS A 95 -10.101 -13.357 -2.526 1.00 0.00 C ATOM 1515 CD LYS A 95 -8.851 -13.157 -3.367 1.00 0.00 C ATOM 1516 CE LYS A 95 -9.134 -12.300 -4.591 1.00 0.00 C ATOM 1517 NZ LYS A 95 -9.549 -13.123 -5.760 1.00 0.00 N ATOM 0 H LYS A 95 -8.819 -13.440 1.232 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.639 -11.681 -1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.948 -14.232 -0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.623 -13.935 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.637 -14.240 -2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.769 -12.506 -2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.076 -12.685 -2.763 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -8.464 -14.126 -3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -9.918 -11.580 -4.357 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -8.242 -11.728 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.733 -12.502 -6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -8.790 -13.793 -6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -10.414 -13.650 -5.524 1.00 0.00 H new ATOM 1531 N CYS A 96 -11.346 -11.562 0.861 1.00 0.00 N ATOM 1532 CA CYS A 96 -12.546 -10.780 1.142 1.00 0.00 C ATOM 1533 C CYS A 96 -12.203 -9.306 1.330 1.00 0.00 C ATOM 1534 O CYS A 96 -12.649 -8.450 0.565 1.00 0.00 O ATOM 1535 CB CYS A 96 -13.248 -11.316 2.390 1.00 0.00 C ATOM 1536 SG CYS A 96 -14.821 -10.505 2.758 1.00 0.00 S ATOM 0 H CYS A 96 -11.154 -12.299 1.540 1.00 0.00 H new ATOM 0 HA CYS A 96 -13.218 -10.872 0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -13.423 -12.385 2.265 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -12.583 -11.200 3.246 1.00 0.00 H new ATOM 0 HG CYS A 96 -15.339 -11.029 3.829 1.00 0.00 H new ATOM 1542 N THR A 97 -11.407 -9.015 2.355 1.00 0.00 N ATOM 1543 CA THR A 97 -11.006 -7.644 2.646 1.00 0.00 C ATOM 1544 C THR A 97 -10.249 -7.032 1.473 1.00 0.00 C ATOM 1545 O THR A 97 -10.287 -5.819 1.261 1.00 0.00 O ATOM 1546 CB THR A 97 -10.123 -7.573 3.906 1.00 0.00 C ATOM 1547 OG1 THR A 97 -9.842 -6.207 4.230 1.00 0.00 O ATOM 1548 CG2 THR A 97 -8.819 -8.328 3.696 1.00 0.00 C ATOM 0 H THR A 97 -11.028 -9.711 2.997 1.00 0.00 H new ATOM 0 HA THR A 97 -11.920 -7.077 2.820 1.00 0.00 H new ATOM 0 HB THR A 97 -10.665 -8.038 4.730 1.00 0.00 H new ATOM 0 HG1 THR A 97 -9.421 -6.160 5.114 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.212 -8.264 4.599 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.035 -9.374 3.478 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.274 -7.888 2.861 1.00 0.00 H new ATOM 1556 N LEU A 98 -9.563 -7.877 0.712 1.00 0.00 N ATOM 1557 CA LEU A 98 -8.796 -7.419 -0.442 1.00 0.00 C ATOM 1558 C LEU A 98 -9.714 -6.811 -1.498 1.00 0.00 C ATOM 1559 O LEU A 98 -9.448 -5.726 -2.013 1.00 0.00 O ATOM 1560 CB LEU A 98 -8.003 -8.579 -1.045 1.00 0.00 C ATOM 1561 CG LEU A 98 -7.244 -8.273 -2.337 1.00 0.00 C ATOM 1562 CD1 LEU A 98 -6.206 -7.187 -2.101 1.00 0.00 C ATOM 1563 CD2 LEU A 98 -6.586 -9.533 -2.880 1.00 0.00 C ATOM 0 H LEU A 98 -9.522 -8.883 0.873 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.101 -6.650 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.287 -8.929 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.691 -9.402 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.957 -7.911 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.676 -6.982 -3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.701 -6.279 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.496 -7.521 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.050 -9.296 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.885 -9.924 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.350 -10.282 -3.088 1.00 0.00 H new ATOM 1575 N GLU A 99 -10.795 -7.518 -1.813 1.00 0.00 N ATOM 1576 CA GLU A 99 -11.752 -7.046 -2.807 1.00 0.00 C ATOM 1577 C GLU A 99 -12.377 -5.723 -2.375 1.00 0.00 C ATOM 1578 O GLU A 99 -12.151 -4.684 -2.996 1.00 0.00 O ATOM 1579 CB GLU A 99 -12.847 -8.091 -3.030 1.00 0.00 C ATOM 1580 CG GLU A 99 -12.509 -9.106 -4.109 1.00 0.00 C ATOM 1581 CD GLU A 99 -13.692 -9.978 -4.481 1.00 0.00 C ATOM 1582 OE1 GLU A 99 -14.324 -10.543 -3.563 1.00 0.00 O ATOM 1583 OE2 GLU A 99 -13.987 -10.096 -5.689 1.00 0.00 O ATOM 0 H GLU A 99 -11.030 -8.418 -1.395 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.216 -6.887 -3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.032 -8.617 -2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -13.773 -7.583 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.155 -8.582 -4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -11.691 -9.738 -3.764 1.00 0.00 H new ATOM 1590 N LYS A 100 -13.165 -5.768 -1.306 1.00 0.00 N ATOM 1591 CA LYS A 100 -13.824 -4.575 -0.789 1.00 0.00 C ATOM 1592 C LYS A 100 -12.893 -3.368 -0.854 1.00 0.00 C ATOM 1593 O LYS A 100 -13.286 -2.293 -1.307 1.00 0.00 O ATOM 1594 CB LYS A 100 -14.279 -4.804 0.655 1.00 0.00 C ATOM 1595 CG LYS A 100 -15.625 -5.497 0.765 1.00 0.00 C ATOM 1596 CD LYS A 100 -16.246 -5.293 2.137 1.00 0.00 C ATOM 1597 CE LYS A 100 -17.760 -5.435 2.091 1.00 0.00 C ATOM 1598 NZ LYS A 100 -18.381 -5.188 3.421 1.00 0.00 N ATOM 0 H LYS A 100 -13.363 -6.619 -0.780 1.00 0.00 H new ATOM 0 HA LYS A 100 -14.696 -4.373 -1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -13.529 -5.401 1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.331 -3.843 1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.298 -5.111 -0.001 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -15.503 -6.563 0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -15.833 -6.020 2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -15.984 -4.304 2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.169 -4.733 1.364 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.021 -6.437 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.413 -5.294 3.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.011 -5.873 4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.154 -4.223 3.736 1.00 0.00 H new ATOM 1612 N SER A 101 -11.658 -3.554 -0.401 1.00 0.00 N ATOM 1613 CA SER A 101 -10.672 -2.480 -0.406 1.00 0.00 C ATOM 1614 C SER A 101 -10.493 -1.913 -1.812 1.00 0.00 C ATOM 1615 O SER A 101 -10.610 -0.706 -2.027 1.00 0.00 O ATOM 1616 CB SER A 101 -9.330 -2.987 0.126 1.00 0.00 C ATOM 1617 OG SER A 101 -9.401 -3.255 1.515 1.00 0.00 O ATOM 0 H SER A 101 -11.316 -4.439 -0.026 1.00 0.00 H new ATOM 0 HA SER A 101 -11.035 -1.685 0.245 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.042 -3.893 -0.408 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.555 -2.244 -0.065 1.00 0.00 H new ATOM 0 HG SER A 101 -9.701 -4.177 1.655 1.00 0.00 H new ATOM 1623 N LEU A 102 -10.209 -2.793 -2.765 1.00 0.00 N ATOM 1624 CA LEU A 102 -10.014 -2.383 -4.151 1.00 0.00 C ATOM 1625 C LEU A 102 -11.002 -1.288 -4.539 1.00 0.00 C ATOM 1626 O LEU A 102 -10.620 -0.271 -5.120 1.00 0.00 O ATOM 1627 CB LEU A 102 -10.172 -3.583 -5.087 1.00 0.00 C ATOM 1628 CG LEU A 102 -9.060 -4.631 -5.028 1.00 0.00 C ATOM 1629 CD1 LEU A 102 -9.544 -5.955 -5.597 1.00 0.00 C ATOM 1630 CD2 LEU A 102 -7.828 -4.144 -5.778 1.00 0.00 C ATOM 0 H LEU A 102 -10.109 -3.795 -2.604 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.003 -1.986 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.119 -4.073 -4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.242 -3.214 -6.110 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.788 -4.786 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.739 -6.689 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.396 -6.311 -5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.844 -5.817 -6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.047 -4.902 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.086 -3.960 -6.821 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.468 -3.220 -5.325 1.00 0.00 H new ATOM 1642 N ILE A 103 -12.272 -1.502 -4.213 1.00 0.00 N ATOM 1643 CA ILE A 103 -13.314 -0.531 -4.525 1.00 0.00 C ATOM 1644 C ILE A 103 -13.072 0.788 -3.798 1.00 0.00 C ATOM 1645 O ILE A 103 -13.067 1.855 -4.412 1.00 0.00 O ATOM 1646 CB ILE A 103 -14.710 -1.063 -4.149 1.00 0.00 C ATOM 1647 CG1 ILE A 103 -14.997 -2.372 -4.887 1.00 0.00 C ATOM 1648 CG2 ILE A 103 -15.775 -0.025 -4.466 1.00 0.00 C ATOM 1649 CD1 ILE A 103 -14.552 -3.603 -4.129 1.00 0.00 C ATOM 0 H ILE A 103 -12.604 -2.338 -3.733 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.276 -0.362 -5.601 1.00 0.00 H new ATOM 0 HB ILE A 103 -14.731 -1.261 -3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -16.067 -2.443 -5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -14.497 -2.351 -5.855 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -16.756 -0.416 -4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -15.577 0.884 -3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -15.757 0.201 -5.532 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.787 -4.494 -4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.477 -3.555 -3.957 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -15.071 -3.648 -3.172 1.00 0.00 H new ATOM 1661 N ASP A 104 -12.870 0.706 -2.488 1.00 0.00 N ATOM 1662 CA ASP A 104 -12.625 1.893 -1.677 1.00 0.00 C ATOM 1663 C ASP A 104 -11.638 2.829 -2.369 1.00 0.00 C ATOM 1664 O ASP A 104 -11.787 4.049 -2.319 1.00 0.00 O ATOM 1665 CB ASP A 104 -12.089 1.495 -0.301 1.00 0.00 C ATOM 1666 CG ASP A 104 -13.199 1.218 0.694 1.00 0.00 C ATOM 1667 OD1 ASP A 104 -13.823 0.140 0.602 1.00 0.00 O ATOM 1668 OD2 ASP A 104 -13.445 2.079 1.565 1.00 0.00 O ATOM 0 H ASP A 104 -12.871 -0.170 -1.965 1.00 0.00 H new ATOM 0 HA ASP A 104 -13.571 2.419 -1.552 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -11.464 0.607 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.452 2.292 0.082 1.00 0.00 H new ATOM 1673 N ALA A 105 -10.631 2.248 -3.012 1.00 0.00 N ATOM 1674 CA ALA A 105 -9.620 3.030 -3.714 1.00 0.00 C ATOM 1675 C ALA A 105 -10.260 3.954 -4.744 1.00 0.00 C ATOM 1676 O ALA A 105 -9.818 5.087 -4.934 1.00 0.00 O ATOM 1677 CB ALA A 105 -8.611 2.108 -4.383 1.00 0.00 C ATOM 0 H ALA A 105 -10.493 1.239 -3.062 1.00 0.00 H new ATOM 0 HA ALA A 105 -9.100 3.649 -2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.862 2.705 -4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -8.123 1.493 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -9.124 1.465 -5.098 1.00 0.00 H new ATOM 1683 N ALA A 106 -11.301 3.463 -5.407 1.00 0.00 N ATOM 1684 CA ALA A 106 -12.002 4.246 -6.418 1.00 0.00 C ATOM 1685 C ALA A 106 -12.891 5.304 -5.773 1.00 0.00 C ATOM 1686 O ALA A 106 -13.435 6.173 -6.455 1.00 0.00 O ATOM 1687 CB ALA A 106 -12.828 3.334 -7.313 1.00 0.00 C ATOM 0 H ALA A 106 -11.678 2.526 -5.263 1.00 0.00 H new ATOM 0 HA ALA A 106 -11.257 4.757 -7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.346 3.932 -8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.171 2.619 -7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -13.559 2.797 -6.709 1.00 0.00 H new ATOM 1693 N LYS A 107 -13.036 5.224 -4.455 1.00 0.00 N ATOM 1694 CA LYS A 107 -13.859 6.175 -3.717 1.00 0.00 C ATOM 1695 C LYS A 107 -12.991 7.190 -2.981 1.00 0.00 C ATOM 1696 O LYS A 107 -13.407 8.325 -2.747 1.00 0.00 O ATOM 1697 CB LYS A 107 -14.757 5.438 -2.720 1.00 0.00 C ATOM 1698 CG LYS A 107 -15.963 4.775 -3.362 1.00 0.00 C ATOM 1699 CD LYS A 107 -16.932 4.249 -2.317 1.00 0.00 C ATOM 1700 CE LYS A 107 -16.606 2.815 -1.926 1.00 0.00 C ATOM 1701 NZ LYS A 107 -17.318 1.831 -2.788 1.00 0.00 N ATOM 0 H LYS A 107 -12.594 4.510 -3.876 1.00 0.00 H new ATOM 0 HA LYS A 107 -14.483 6.709 -4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.168 4.680 -2.205 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -15.101 6.143 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -16.474 5.492 -4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -15.632 3.954 -3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -16.896 4.885 -1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -17.949 4.299 -2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -15.531 2.653 -2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -16.881 2.651 -0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -16.994 0.870 -2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -18.342 1.900 -2.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -17.116 2.035 -3.788 1.00 0.00 H new ATOM 1715 N PHE A 108 -11.781 6.776 -2.620 1.00 0.00 N ATOM 1716 CA PHE A 108 -10.853 7.649 -1.911 1.00 0.00 C ATOM 1717 C PHE A 108 -9.472 7.617 -2.559 1.00 0.00 C ATOM 1718 O PHE A 108 -8.445 7.533 -1.886 1.00 0.00 O ATOM 1719 CB PHE A 108 -10.749 7.234 -0.442 1.00 0.00 C ATOM 1720 CG PHE A 108 -12.010 7.473 0.339 1.00 0.00 C ATOM 1721 CD1 PHE A 108 -13.083 6.603 0.231 1.00 0.00 C ATOM 1722 CD2 PHE A 108 -12.122 8.566 1.182 1.00 0.00 C ATOM 1723 CE1 PHE A 108 -14.244 6.821 0.948 1.00 0.00 C ATOM 1724 CE2 PHE A 108 -13.281 8.789 1.902 1.00 0.00 C ATOM 1725 CZ PHE A 108 -14.343 7.914 1.785 1.00 0.00 C ATOM 0 H PHE A 108 -11.420 5.841 -2.807 1.00 0.00 H new ATOM 0 HA PHE A 108 -11.238 8.667 -1.967 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -10.493 6.176 -0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -9.932 7.783 0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -13.011 5.745 -0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -11.294 9.253 1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -15.074 6.136 0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -13.356 9.646 2.555 1.00 0.00 H new ATOM 0 HZ PHE A 108 -15.249 8.085 2.347 1.00 0.00 H new ATOM 1735 N PRO A 109 -9.446 7.683 -3.899 1.00 0.00 N ATOM 1736 CA PRO A 109 -8.199 7.663 -4.668 1.00 0.00 C ATOM 1737 C PRO A 109 -7.388 8.942 -4.491 1.00 0.00 C ATOM 1738 O PRO A 109 -7.930 9.988 -4.132 1.00 0.00 O ATOM 1739 CB PRO A 109 -8.677 7.529 -6.116 1.00 0.00 C ATOM 1740 CG PRO A 109 -10.053 8.103 -6.115 1.00 0.00 C ATOM 1741 CD PRO A 109 -10.633 7.784 -4.765 1.00 0.00 C ATOM 0 HA PRO A 109 -7.536 6.860 -4.348 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.023 8.069 -6.800 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.683 6.487 -6.436 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.027 9.179 -6.284 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.657 7.670 -6.912 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.313 8.565 -4.425 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -11.199 6.853 -4.781 1.00 0.00 H new ATOM 1749 N LEU A 110 -6.087 8.852 -4.746 1.00 0.00 N ATOM 1750 CA LEU A 110 -5.201 10.003 -4.615 1.00 0.00 C ATOM 1751 C LEU A 110 -4.593 10.379 -5.963 1.00 0.00 C ATOM 1752 O LEU A 110 -4.452 9.548 -6.861 1.00 0.00 O ATOM 1753 CB LEU A 110 -4.089 9.704 -3.608 1.00 0.00 C ATOM 1754 CG LEU A 110 -4.496 9.720 -2.134 1.00 0.00 C ATOM 1755 CD1 LEU A 110 -3.389 9.142 -1.268 1.00 0.00 C ATOM 1756 CD2 LEU A 110 -4.838 11.135 -1.691 1.00 0.00 C ATOM 0 H LEU A 110 -5.623 7.994 -5.044 1.00 0.00 H new ATOM 0 HA LEU A 110 -5.792 10.845 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.672 8.724 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.291 10.432 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.384 9.098 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.697 9.162 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.192 8.113 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.483 9.736 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.125 11.128 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.968 11.778 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.666 11.514 -2.291 1.00 0.00 H new ATOM 1768 N PRO A 111 -4.223 11.660 -6.109 1.00 0.00 N ATOM 1769 CA PRO A 111 -3.622 12.174 -7.344 1.00 0.00 C ATOM 1770 C PRO A 111 -2.212 11.638 -7.569 1.00 0.00 C ATOM 1771 O PRO A 111 -1.574 11.137 -6.644 1.00 0.00 O ATOM 1772 CB PRO A 111 -3.589 13.688 -7.118 1.00 0.00 C ATOM 1773 CG PRO A 111 -3.562 13.850 -5.638 1.00 0.00 C ATOM 1774 CD PRO A 111 -4.362 12.704 -5.081 1.00 0.00 C ATOM 0 HA PRO A 111 -4.185 11.873 -8.228 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.711 14.138 -7.581 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -4.463 14.172 -7.553 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -2.539 13.831 -5.262 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -3.993 14.807 -5.342 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -3.974 12.374 -4.118 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -5.405 12.980 -4.927 1.00 0.00 H new ATOM 1782 N MET A 112 -1.733 11.749 -8.803 1.00 0.00 N ATOM 1783 CA MET A 112 -0.397 11.276 -9.149 1.00 0.00 C ATOM 1784 C MET A 112 0.673 12.187 -8.554 1.00 0.00 C ATOM 1785 O MET A 112 1.798 11.757 -8.306 1.00 0.00 O ATOM 1786 CB MET A 112 -0.235 11.205 -10.668 1.00 0.00 C ATOM 1787 CG MET A 112 -0.047 12.564 -11.324 1.00 0.00 C ATOM 1788 SD MET A 112 -1.613 13.373 -11.705 1.00 0.00 S ATOM 1789 CE MET A 112 -1.727 13.078 -13.468 1.00 0.00 C ATOM 0 H MET A 112 -2.249 12.162 -9.580 1.00 0.00 H new ATOM 0 HA MET A 112 -0.273 10.277 -8.731 1.00 0.00 H new ATOM 0 HB2 MET A 112 0.622 10.575 -10.905 1.00 0.00 H new ATOM 0 HB3 MET A 112 -1.113 10.722 -11.097 1.00 0.00 H new ATOM 0 HG2 MET A 112 0.537 13.204 -10.663 1.00 0.00 H new ATOM 0 HG3 MET A 112 0.528 12.444 -12.242 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.646 13.520 -13.852 1.00 0.00 H new ATOM 0 HE2 MET A 112 -0.870 13.529 -13.969 1.00 0.00 H new ATOM 0 HE3 MET A 112 -1.734 12.005 -13.658 1.00 0.00 H new ATOM 1799 N GLU A 113 0.312 13.447 -8.329 1.00 0.00 N ATOM 1800 CA GLU A 113 1.242 14.418 -7.764 1.00 0.00 C ATOM 1801 C GLU A 113 1.966 13.837 -6.553 1.00 0.00 C ATOM 1802 O GLU A 113 3.171 14.027 -6.386 1.00 0.00 O ATOM 1803 CB GLU A 113 0.501 15.695 -7.365 1.00 0.00 C ATOM 1804 CG GLU A 113 -0.244 16.351 -8.516 1.00 0.00 C ATOM 1805 CD GLU A 113 -0.974 17.612 -8.095 1.00 0.00 C ATOM 1806 OE1 GLU A 113 -1.917 17.510 -7.284 1.00 0.00 O ATOM 1807 OE2 GLU A 113 -0.600 18.702 -8.577 1.00 0.00 O ATOM 0 H GLU A 113 -0.617 13.819 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 113 1.982 14.660 -8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.208 15.461 -6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 113 1.217 16.407 -6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 113 0.462 16.593 -9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.961 15.642 -8.931 1.00 0.00 H new ATOM 1814 N VAL A 114 1.222 13.129 -5.710 1.00 0.00 N ATOM 1815 CA VAL A 114 1.791 12.519 -4.514 1.00 0.00 C ATOM 1816 C VAL A 114 2.949 11.593 -4.867 1.00 0.00 C ATOM 1817 O VAL A 114 4.010 11.643 -4.245 1.00 0.00 O ATOM 1818 CB VAL A 114 0.730 11.722 -3.731 1.00 0.00 C ATOM 1819 CG1 VAL A 114 1.331 11.139 -2.460 1.00 0.00 C ATOM 1820 CG2 VAL A 114 -0.467 12.603 -3.409 1.00 0.00 C ATOM 0 H VAL A 114 0.223 12.963 -5.833 1.00 0.00 H new ATOM 0 HA VAL A 114 2.158 13.332 -3.888 1.00 0.00 H new ATOM 0 HB VAL A 114 0.387 10.896 -4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.567 10.579 -1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 114 2.154 10.473 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.703 11.947 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.207 12.024 -2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.143 13.450 -2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -0.910 12.967 -4.336 1.00 0.00 H new ATOM 1830 N PHE A 115 2.738 10.747 -5.870 1.00 0.00 N ATOM 1831 CA PHE A 115 3.764 9.808 -6.306 1.00 0.00 C ATOM 1832 C PHE A 115 4.356 10.233 -7.647 1.00 0.00 C ATOM 1833 O PHE A 115 4.354 9.467 -8.611 1.00 0.00 O ATOM 1834 CB PHE A 115 3.181 8.397 -6.418 1.00 0.00 C ATOM 1835 CG PHE A 115 2.287 8.026 -5.269 1.00 0.00 C ATOM 1836 CD1 PHE A 115 2.710 8.200 -3.961 1.00 0.00 C ATOM 1837 CD2 PHE A 115 1.025 7.502 -5.497 1.00 0.00 C ATOM 1838 CE1 PHE A 115 1.890 7.858 -2.902 1.00 0.00 C ATOM 1839 CE2 PHE A 115 0.200 7.159 -4.442 1.00 0.00 C ATOM 1840 CZ PHE A 115 0.633 7.338 -3.143 1.00 0.00 C ATOM 0 H PHE A 115 1.866 10.693 -6.396 1.00 0.00 H new ATOM 0 HA PHE A 115 4.560 9.807 -5.561 1.00 0.00 H new ATOM 0 HB2 PHE A 115 2.617 8.318 -7.347 1.00 0.00 H new ATOM 0 HB3 PHE A 115 3.998 7.678 -6.479 1.00 0.00 H new ATOM 0 HD1 PHE A 115 3.691 8.607 -3.767 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.682 7.360 -6.511 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.232 7.997 -1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -0.782 6.752 -4.633 1.00 0.00 H new ATOM 0 HZ PHE A 115 -0.010 7.072 -2.317 1.00 0.00 H new ATOM 1850 N LYS A 116 4.862 11.460 -7.701 1.00 0.00 N ATOM 1851 CA LYS A 116 5.458 11.990 -8.922 1.00 0.00 C ATOM 1852 C LYS A 116 6.863 11.433 -9.127 1.00 0.00 C ATOM 1853 O LYS A 116 7.771 11.711 -8.343 1.00 0.00 O ATOM 1854 CB LYS A 116 5.506 13.519 -8.869 1.00 0.00 C ATOM 1855 CG LYS A 116 6.410 14.061 -7.776 1.00 0.00 C ATOM 1856 CD LYS A 116 6.161 15.540 -7.529 1.00 0.00 C ATOM 1857 CE LYS A 116 7.127 16.103 -6.498 1.00 0.00 C ATOM 1858 NZ LYS A 116 6.911 17.559 -6.273 1.00 0.00 N ATOM 0 H LYS A 116 4.871 12.107 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 116 4.837 11.682 -9.763 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.848 13.897 -9.832 1.00 0.00 H new ATOM 0 HB3 LYS A 116 4.497 13.901 -8.717 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.242 13.504 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 116 7.452 13.908 -8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 116 6.265 16.089 -8.465 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.136 15.685 -7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 116 7.005 15.568 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 116 8.151 15.935 -6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 7.589 17.905 -5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 7.052 18.073 -7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 5.942 17.717 -5.932 1.00 0.00 H new ATOM 1872 N ASP A 117 7.035 10.648 -10.184 1.00 0.00 N ATOM 1873 CA ASP A 117 8.331 10.055 -10.493 1.00 0.00 C ATOM 1874 C ASP A 117 8.285 9.314 -11.826 1.00 0.00 C ATOM 1875 O ASP A 117 7.209 9.029 -12.353 1.00 0.00 O ATOM 1876 CB ASP A 117 8.757 9.098 -9.379 1.00 0.00 C ATOM 1877 CG ASP A 117 10.165 8.573 -9.573 1.00 0.00 C ATOM 1878 OD1 ASP A 117 11.116 9.376 -9.475 1.00 0.00 O ATOM 1879 OD2 ASP A 117 10.317 7.359 -9.824 1.00 0.00 O ATOM 0 H ASP A 117 6.293 10.407 -10.842 1.00 0.00 H new ATOM 0 HA ASP A 117 9.062 10.860 -10.569 1.00 0.00 H new ATOM 0 HB2 ASP A 117 8.693 9.611 -8.419 1.00 0.00 H new ATOM 0 HB3 ASP A 117 8.062 8.259 -9.339 1.00 0.00 H new ATOM 1884 N HIS A 118 9.460 9.007 -12.367 1.00 0.00 N ATOM 1885 CA HIS A 118 9.554 8.300 -13.639 1.00 0.00 C ATOM 1886 C HIS A 118 10.868 7.531 -13.738 1.00 0.00 C ATOM 1887 O HIS A 118 11.811 7.797 -12.993 1.00 0.00 O ATOM 1888 CB HIS A 118 9.437 9.284 -14.804 1.00 0.00 C ATOM 1889 CG HIS A 118 9.921 8.729 -16.108 1.00 0.00 C ATOM 1890 ND1 HIS A 118 11.105 9.116 -16.698 1.00 0.00 N ATOM 1891 CD2 HIS A 118 9.374 7.808 -16.936 1.00 0.00 C ATOM 1892 CE1 HIS A 118 11.265 8.460 -17.833 1.00 0.00 C ATOM 1893 NE2 HIS A 118 10.228 7.660 -18.001 1.00 0.00 N ATOM 0 H HIS A 118 10.360 9.237 -11.944 1.00 0.00 H new ATOM 0 HA HIS A 118 8.731 7.587 -13.691 1.00 0.00 H new ATOM 0 HB2 HIS A 118 8.395 9.585 -14.911 1.00 0.00 H new ATOM 0 HB3 HIS A 118 10.006 10.183 -14.568 1.00 0.00 H new ATOM 0 HD1 HIS A 118 11.756 9.802 -16.317 1.00 0.00 H new ATOM 0 HD2 HIS A 118 8.440 7.287 -16.787 1.00 0.00 H new ATOM 0 HE1 HIS A 118 12.102 8.561 -18.509 1.00 0.00 H new ATOM 1902 N ALA A 119 10.922 6.576 -14.661 1.00 0.00 N ATOM 1903 CA ALA A 119 12.120 5.770 -14.857 1.00 0.00 C ATOM 1904 C ALA A 119 12.264 5.346 -16.314 1.00 0.00 C ATOM 1905 O ALA A 119 11.284 5.304 -17.058 1.00 0.00 O ATOM 1906 CB ALA A 119 12.089 4.548 -13.950 1.00 0.00 C ATOM 0 H ALA A 119 10.150 6.342 -15.285 1.00 0.00 H new ATOM 0 HA ALA A 119 12.985 6.380 -14.596 1.00 0.00 H new ATOM 0 HB1 ALA A 119 12.990 3.955 -14.107 1.00 0.00 H new ATOM 0 HB2 ALA A 119 12.042 4.868 -12.909 1.00 0.00 H new ATOM 0 HB3 ALA A 119 11.212 3.944 -14.183 1.00 0.00 H new ATOM 1912 N ASP A 120 13.491 5.032 -16.716 1.00 0.00 N ATOM 1913 CA ASP A 120 13.763 4.611 -18.085 1.00 0.00 C ATOM 1914 C ASP A 120 12.877 3.432 -18.477 1.00 0.00 C ATOM 1915 O ASP A 120 13.142 2.290 -18.098 1.00 0.00 O ATOM 1916 CB ASP A 120 15.236 4.231 -18.242 1.00 0.00 C ATOM 1917 CG ASP A 120 16.149 5.442 -18.241 1.00 0.00 C ATOM 1918 OD1 ASP A 120 16.400 5.995 -17.151 1.00 0.00 O ATOM 1919 OD2 ASP A 120 16.612 5.837 -19.332 1.00 0.00 O ATOM 0 H ASP A 120 14.313 5.061 -16.113 1.00 0.00 H new ATOM 0 HA ASP A 120 13.539 5.448 -18.747 1.00 0.00 H new ATOM 0 HB2 ASP A 120 15.524 3.562 -17.431 1.00 0.00 H new ATOM 0 HB3 ASP A 120 15.369 3.680 -19.173 1.00 0.00 H new ATOM 1924 N LEU A 121 11.825 3.716 -19.237 1.00 0.00 N ATOM 1925 CA LEU A 121 10.899 2.680 -19.680 1.00 0.00 C ATOM 1926 C LEU A 121 10.775 2.674 -21.200 1.00 0.00 C ATOM 1927 O LEU A 121 10.907 3.713 -21.847 1.00 0.00 O ATOM 1928 CB LEU A 121 9.524 2.892 -19.045 1.00 0.00 C ATOM 1929 CG LEU A 121 8.970 4.316 -19.103 1.00 0.00 C ATOM 1930 CD1 LEU A 121 8.180 4.530 -20.384 1.00 0.00 C ATOM 1931 CD2 LEU A 121 8.103 4.602 -17.885 1.00 0.00 C ATOM 0 H LEU A 121 11.592 4.655 -19.559 1.00 0.00 H new ATOM 0 HA LEU A 121 11.294 1.715 -19.363 1.00 0.00 H new ATOM 0 HB2 LEU A 121 8.813 2.227 -19.535 1.00 0.00 H new ATOM 0 HB3 LEU A 121 9.578 2.587 -18.000 1.00 0.00 H new ATOM 0 HG LEU A 121 9.809 5.012 -19.098 1.00 0.00 H new ATOM 0 HD11 LEU A 121 7.794 5.549 -20.407 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.830 4.369 -21.244 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.349 3.826 -20.421 1.00 0.00 H new ATOM 0 HD21 LEU A 121 7.718 5.620 -17.944 1.00 0.00 H new ATOM 0 HD22 LEU A 121 7.270 3.900 -17.858 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.700 4.492 -16.980 1.00 0.00 H new ATOM 1943 N SER A 122 10.517 1.498 -21.763 1.00 0.00 N ATOM 1944 CA SER A 122 10.376 1.357 -23.207 1.00 0.00 C ATOM 1945 C SER A 122 9.385 2.377 -23.759 1.00 0.00 C ATOM 1946 O SER A 122 9.608 2.967 -24.816 1.00 0.00 O ATOM 1947 CB SER A 122 9.917 -0.059 -23.560 1.00 0.00 C ATOM 1948 OG SER A 122 8.777 -0.429 -22.803 1.00 0.00 O ATOM 0 H SER A 122 10.401 0.629 -21.241 1.00 0.00 H new ATOM 0 HA SER A 122 11.350 1.540 -23.661 1.00 0.00 H new ATOM 0 HB2 SER A 122 9.685 -0.115 -24.624 1.00 0.00 H new ATOM 0 HB3 SER A 122 10.727 -0.764 -23.373 1.00 0.00 H new ATOM 0 HG SER A 122 8.502 -1.337 -23.048 1.00 0.00 H new ATOM 1954 N GLY A 123 8.289 2.580 -23.034 1.00 0.00 N ATOM 1955 CA GLY A 123 7.280 3.530 -23.465 1.00 0.00 C ATOM 1956 C GLY A 123 5.871 3.002 -23.280 1.00 0.00 C ATOM 1957 O GLY A 123 5.661 1.831 -22.962 1.00 0.00 O ATOM 0 H GLY A 123 8.082 2.104 -22.156 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.394 4.457 -22.903 1.00 0.00 H new ATOM 0 HA3 GLY A 123 7.439 3.773 -24.516 1.00 0.00 H new ATOM 1961 N PRO A 124 4.876 3.878 -23.480 1.00 0.00 N ATOM 1962 CA PRO A 124 3.462 3.517 -23.338 1.00 0.00 C ATOM 1963 C PRO A 124 2.990 2.578 -24.443 1.00 0.00 C ATOM 1964 O PRO A 124 1.990 1.877 -24.289 1.00 0.00 O ATOM 1965 CB PRO A 124 2.740 4.863 -23.435 1.00 0.00 C ATOM 1966 CG PRO A 124 3.661 5.731 -24.221 1.00 0.00 C ATOM 1967 CD PRO A 124 5.053 5.289 -23.862 1.00 0.00 C ATOM 0 HA PRO A 124 3.270 2.981 -22.408 1.00 0.00 H new ATOM 0 HB2 PRO A 124 1.774 4.760 -23.930 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.548 5.282 -22.447 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.481 5.623 -25.291 1.00 0.00 H new ATOM 0 HG3 PRO A 124 3.510 6.782 -23.977 1.00 0.00 H new ATOM 0 HD2 PRO A 124 5.738 5.394 -24.704 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.463 5.879 -23.042 1.00 0.00 H new ATOM 1975 N SER A 125 3.715 2.570 -25.557 1.00 0.00 N ATOM 1976 CA SER A 125 3.368 1.719 -26.689 1.00 0.00 C ATOM 1977 C SER A 125 4.605 1.016 -27.240 1.00 0.00 C ATOM 1978 O SER A 125 5.730 1.477 -27.050 1.00 0.00 O ATOM 1979 CB SER A 125 2.705 2.548 -27.792 1.00 0.00 C ATOM 1980 OG SER A 125 1.522 3.170 -27.321 1.00 0.00 O ATOM 0 H SER A 125 4.546 3.143 -25.700 1.00 0.00 H new ATOM 0 HA SER A 125 2.666 0.961 -26.341 1.00 0.00 H new ATOM 0 HB2 SER A 125 3.401 3.307 -28.149 1.00 0.00 H new ATOM 0 HB3 SER A 125 2.469 1.907 -28.641 1.00 0.00 H new ATOM 0 HG SER A 125 1.118 3.695 -28.044 1.00 0.00 H new ATOM 1986 N SER A 126 4.386 -0.103 -27.922 1.00 0.00 N ATOM 1987 CA SER A 126 5.482 -0.874 -28.498 1.00 0.00 C ATOM 1988 C SER A 126 5.592 -0.625 -29.999 1.00 0.00 C ATOM 1989 O SER A 126 4.594 -0.653 -30.719 1.00 0.00 O ATOM 1990 CB SER A 126 5.280 -2.367 -28.230 1.00 0.00 C ATOM 1991 OG SER A 126 6.515 -3.062 -28.259 1.00 0.00 O ATOM 0 H SER A 126 3.460 -0.496 -28.089 1.00 0.00 H new ATOM 0 HA SER A 126 6.409 -0.550 -28.025 1.00 0.00 H new ATOM 0 HB2 SER A 126 4.805 -2.504 -27.259 1.00 0.00 H new ATOM 0 HB3 SER A 126 4.606 -2.786 -28.977 1.00 0.00 H new ATOM 0 HG SER A 126 6.359 -4.013 -28.083 1.00 0.00 H new ATOM 1997 N GLY A 127 6.813 -0.382 -30.465 1.00 0.00 N ATOM 1998 CA GLY A 127 7.032 -0.131 -31.878 1.00 0.00 C ATOM 1999 C GLY A 127 6.722 -1.341 -32.736 1.00 0.00 C ATOM 2000 O GLY A 127 6.849 -2.480 -32.285 1.00 0.00 O ATOM 0 H GLY A 127 7.655 -0.354 -29.889 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.410 0.705 -32.196 1.00 0.00 H new ATOM 0 HA3 GLY A 127 8.069 0.166 -32.035 1.00 0.00 H new TER 2004 GLY A 127