USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 837 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 25 TYR OH : rot -119:sc= 0.961 USER MOD Set 1.2: A 29 THR OG1 : rot -12:sc= 2.17 USER MOD Set 1.3: A 57 THR OG1 : rot -73:sc= 0.564 USER MOD Set 1.4: A 64 SER OG : rot 84:sc= -3.34! USER MOD Single : A 1 MET CE :methyl -145:sc= -2.95! (180deg=-7.81!) USER MOD Single : A 1 MET N :NH3+ -127:sc= 1.14 (180deg=0.0633!) USER MOD Single : A 4 LYS NZ :NH3+ 161:sc= -0.078 (180deg=-0.468) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.087) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.809 K(o=-0.81,f=-14!) USER MOD Single : A 15 ASN : amide:sc= -1.9! C(o=-1.9!,f=-2.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0713 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.0348 K(o=-0.035,f=-0.57) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -155:sc= -2.31 (180deg=-2.74) USER MOD Single : A 44 ASN : amide:sc= -0.689 K(o=-0.69,f=-0.0041) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 143:sc= -2.86! (180deg=-3.99) USER MOD Single : A 62 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.8) USER MOD Single : A 65 LYS NZ :NH3+ -124:sc= -0.127 (180deg=-0.483) USER MOD Single : A 67 TYR OH : rot -103:sc= 0.536 USER MOD Single : A 69 LYS NZ :NH3+ 179:sc= -0.326 (180deg=-0.326) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 137:sc= -2.08 (180deg=-5.9!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.177 K(o=-0.18,f=-0.85) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -3.86! C(o=-3.9!,f=-4.4!) USER MOD Single : A 94 SER OG : rot -141:sc= 0.39 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.595 -10.332 8.739 1.00 0.00 N ATOM 2 CA MET A 1 -11.174 -10.628 8.801 1.00 0.00 C ATOM 3 C MET A 1 -10.560 -10.098 10.098 1.00 0.00 C ATOM 4 O MET A 1 -11.265 -9.551 10.945 1.00 0.00 O ATOM 5 CB MET A 1 -10.467 -9.990 7.603 1.00 0.00 C ATOM 6 CG MET A 1 -10.581 -8.465 7.647 1.00 0.00 C ATOM 7 SD MET A 1 -12.193 -7.957 7.075 1.00 0.00 S ATOM 8 CE MET A 1 -12.054 -6.190 7.285 1.00 0.00 C ATOM 0 H1 MET A 1 -13.124 -11.207 8.551 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.905 -9.928 9.646 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.774 -9.648 7.976 1.00 0.00 H new ATOM 0 HA MET A 1 -11.046 -11.710 8.776 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.416 -10.280 7.600 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.904 -10.364 6.677 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.418 -8.109 8.664 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.807 -8.016 7.025 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.019 -5.782 7.585 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.313 -5.972 8.054 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.744 -5.735 6.344 1.00 0.00 H new ATOM 18 N ASP A 2 -9.252 -10.277 10.213 1.00 0.00 N ATOM 19 CA ASP A 2 -8.535 -9.824 11.392 1.00 0.00 C ATOM 20 C ASP A 2 -7.522 -8.751 10.987 1.00 0.00 C ATOM 21 O ASP A 2 -6.869 -8.869 9.952 1.00 0.00 O ATOM 22 CB ASP A 2 -7.768 -10.974 12.047 1.00 0.00 C ATOM 23 CG ASP A 2 -8.355 -11.473 13.370 1.00 0.00 C ATOM 24 OD1 ASP A 2 -9.554 -11.202 13.596 1.00 0.00 O ATOM 25 OD2 ASP A 2 -7.591 -12.113 14.124 1.00 0.00 O ATOM 0 H ASP A 2 -8.670 -10.730 9.508 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.265 -9.429 12.099 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.727 -11.809 11.347 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.741 -10.653 12.221 1.00 0.00 H new ATOM 30 N ILE A 3 -7.424 -7.729 11.824 1.00 0.00 N ATOM 31 CA ILE A 3 -6.502 -6.636 11.566 1.00 0.00 C ATOM 32 C ILE A 3 -5.614 -6.422 12.794 1.00 0.00 C ATOM 33 O ILE A 3 -6.070 -6.569 13.927 1.00 0.00 O ATOM 34 CB ILE A 3 -7.265 -5.382 11.133 1.00 0.00 C ATOM 35 CG1 ILE A 3 -8.107 -5.656 9.886 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.311 -4.202 10.934 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.919 -4.422 9.491 1.00 0.00 C ATOM 0 H ILE A 3 -7.968 -7.635 12.682 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.842 -6.883 10.734 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.954 -5.108 11.932 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.457 -5.947 9.061 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.779 -6.493 10.073 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.878 -3.323 10.627 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.794 -3.991 11.870 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.581 -4.450 10.164 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.509 -4.644 8.602 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.585 -4.148 10.309 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.243 -3.593 9.281 1.00 0.00 H new ATOM 49 N LYS A 4 -4.362 -6.079 12.527 1.00 0.00 N ATOM 50 CA LYS A 4 -3.407 -5.844 13.596 1.00 0.00 C ATOM 51 C LYS A 4 -2.672 -4.527 13.338 1.00 0.00 C ATOM 52 O LYS A 4 -1.944 -4.402 12.354 1.00 0.00 O ATOM 53 CB LYS A 4 -2.475 -7.047 13.756 1.00 0.00 C ATOM 54 CG LYS A 4 -1.500 -7.146 12.581 1.00 0.00 C ATOM 55 CD LYS A 4 -0.717 -8.459 12.627 1.00 0.00 C ATOM 56 CE LYS A 4 -1.608 -9.642 12.245 1.00 0.00 C ATOM 57 NZ LYS A 4 -1.134 -10.881 12.902 1.00 0.00 N ATOM 0 H LYS A 4 -3.987 -5.958 11.586 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.923 -5.740 14.551 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.918 -6.958 14.689 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.064 -7.962 13.822 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.049 -7.079 11.642 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.808 -6.305 12.607 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.132 -8.404 11.946 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.314 -8.611 13.628 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.638 -9.439 12.538 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.605 -9.773 11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.898 -11.586 12.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.317 -11.259 12.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.853 -10.669 13.881 1.00 0.00 H new ATOM 71 N ILE A 5 -2.889 -3.579 14.237 1.00 0.00 N ATOM 72 CA ILE A 5 -2.256 -2.276 14.118 1.00 0.00 C ATOM 73 C ILE A 5 -0.756 -2.417 14.382 1.00 0.00 C ATOM 74 O ILE A 5 -0.335 -2.578 15.526 1.00 0.00 O ATOM 75 CB ILE A 5 -2.948 -1.260 15.029 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.443 -1.170 14.715 1.00 0.00 C ATOM 77 CG2 ILE A 5 -2.262 0.105 14.948 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.266 -1.049 15.999 1.00 0.00 C ATOM 0 H ILE A 5 -3.494 -3.687 15.051 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.367 -1.889 13.105 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.856 -1.606 16.058 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.633 -0.309 14.075 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.756 -2.055 14.160 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.773 0.809 15.605 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.222 0.008 15.259 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.301 0.472 13.922 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.325 -0.987 15.748 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.093 -1.924 16.626 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.968 -0.150 16.539 1.00 0.00 H new ATOM 90 N ILE A 6 0.011 -2.350 13.303 1.00 0.00 N ATOM 91 CA ILE A 6 1.456 -2.468 13.403 1.00 0.00 C ATOM 92 C ILE A 6 2.013 -1.246 14.136 1.00 0.00 C ATOM 93 O ILE A 6 2.492 -1.359 15.264 1.00 0.00 O ATOM 94 CB ILE A 6 2.072 -2.690 12.020 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.663 -4.049 11.449 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.592 -2.521 12.064 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.660 -5.136 11.853 1.00 0.00 C ATOM 0 H ILE A 6 -0.341 -2.215 12.355 1.00 0.00 H new ATOM 0 HA ILE A 6 1.728 -3.344 13.992 1.00 0.00 H new ATOM 0 HB ILE A 6 1.682 -1.927 11.346 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.668 -4.313 11.806 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.606 -3.989 10.362 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.005 -2.684 11.069 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.836 -1.513 12.398 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.019 -3.246 12.757 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.346 -6.092 11.434 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.650 -4.881 11.474 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.696 -5.211 12.940 1.00 0.00 H new ATOM 109 N LYS A 7 1.932 -0.106 13.466 1.00 0.00 N ATOM 110 CA LYS A 7 2.422 1.136 14.040 1.00 0.00 C ATOM 111 C LYS A 7 1.560 2.298 13.543 1.00 0.00 C ATOM 112 O LYS A 7 0.867 2.174 12.534 1.00 0.00 O ATOM 113 CB LYS A 7 3.914 1.309 13.748 1.00 0.00 C ATOM 114 CG LYS A 7 4.764 0.802 14.915 1.00 0.00 C ATOM 115 CD LYS A 7 5.949 1.734 15.175 1.00 0.00 C ATOM 116 CE LYS A 7 6.091 2.038 16.668 1.00 0.00 C ATOM 117 NZ LYS A 7 7.256 1.322 17.234 1.00 0.00 N ATOM 0 H LYS A 7 1.534 -0.016 12.531 1.00 0.00 H new ATOM 0 HA LYS A 7 2.333 1.114 15.126 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.176 0.766 12.840 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.133 2.361 13.564 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.150 0.730 15.813 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.127 -0.202 14.696 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.866 1.274 14.805 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.813 2.664 14.622 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.209 3.111 16.817 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.184 1.741 17.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.338 1.539 18.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.128 0.298 17.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.122 1.625 16.744 1.00 0.00 H new ATOM 131 N ASP A 8 1.630 3.400 14.275 1.00 0.00 N ATOM 132 CA ASP A 8 0.864 4.583 13.922 1.00 0.00 C ATOM 133 C ASP A 8 1.794 5.797 13.893 1.00 0.00 C ATOM 134 O ASP A 8 2.242 6.266 14.938 1.00 0.00 O ATOM 135 CB ASP A 8 -0.236 4.854 14.950 1.00 0.00 C ATOM 136 CG ASP A 8 -0.716 6.305 15.015 1.00 0.00 C ATOM 137 OD1 ASP A 8 -0.841 6.911 13.929 1.00 0.00 O ATOM 138 OD2 ASP A 8 -0.949 6.776 16.150 1.00 0.00 O ATOM 0 H ASP A 8 2.206 3.499 15.111 1.00 0.00 H new ATOM 0 HA ASP A 8 0.410 4.412 12.946 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.089 4.214 14.724 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.128 4.563 15.935 1.00 0.00 H new ATOM 143 N LYS A 9 2.058 6.272 12.684 1.00 0.00 N ATOM 144 CA LYS A 9 2.926 7.423 12.505 1.00 0.00 C ATOM 145 C LYS A 9 2.074 8.690 12.406 1.00 0.00 C ATOM 146 O LYS A 9 0.950 8.648 11.906 1.00 0.00 O ATOM 147 CB LYS A 9 3.856 7.212 11.309 1.00 0.00 C ATOM 148 CG LYS A 9 4.451 8.540 10.835 1.00 0.00 C ATOM 149 CD LYS A 9 5.853 8.337 10.258 1.00 0.00 C ATOM 150 CE LYS A 9 6.209 9.456 9.277 1.00 0.00 C ATOM 151 NZ LYS A 9 5.976 9.017 7.883 1.00 0.00 N ATOM 0 H LYS A 9 1.686 5.880 11.819 1.00 0.00 H new ATOM 0 HA LYS A 9 3.579 7.545 13.369 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.659 6.528 11.584 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.305 6.745 10.493 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.803 8.984 10.079 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.495 9.241 11.668 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.583 8.312 11.067 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.906 7.374 9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.609 10.340 9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.253 9.741 9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.924 9.849 7.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.759 8.404 7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.082 8.489 7.830 1.00 0.00 H new ATOM 165 N LYS A 10 2.640 9.786 12.888 1.00 0.00 N ATOM 166 CA LYS A 10 1.946 11.062 12.860 1.00 0.00 C ATOM 167 C LYS A 10 2.662 12.005 11.891 1.00 0.00 C ATOM 168 O LYS A 10 3.883 11.946 11.750 1.00 0.00 O ATOM 169 CB LYS A 10 1.803 11.626 14.275 1.00 0.00 C ATOM 170 CG LYS A 10 0.427 12.263 14.474 1.00 0.00 C ATOM 171 CD LYS A 10 0.534 13.557 15.285 1.00 0.00 C ATOM 172 CE LYS A 10 -0.350 14.653 14.688 1.00 0.00 C ATOM 173 NZ LYS A 10 -0.117 15.941 15.379 1.00 0.00 N ATOM 0 H LYS A 10 3.572 9.817 13.301 1.00 0.00 H new ATOM 0 HA LYS A 10 0.929 10.935 12.489 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.948 10.829 15.004 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.581 12.368 14.455 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.024 12.474 13.504 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.232 11.562 14.986 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.239 13.369 16.317 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.571 13.892 15.306 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.137 14.761 13.624 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.399 14.371 14.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.725 16.674 14.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.342 15.839 16.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.880 16.217 15.273 1.00 0.00 H new ATOM 187 N ASN A 11 1.872 12.853 11.249 1.00 0.00 N ATOM 188 CA ASN A 11 2.415 13.808 10.298 1.00 0.00 C ATOM 189 C ASN A 11 1.549 15.069 10.297 1.00 0.00 C ATOM 190 O ASN A 11 0.565 15.150 9.563 1.00 0.00 O ATOM 191 CB ASN A 11 2.416 13.233 8.880 1.00 0.00 C ATOM 192 CG ASN A 11 3.048 14.215 7.891 1.00 0.00 C ATOM 193 OD1 ASN A 11 2.790 15.407 7.909 1.00 0.00 O ATOM 194 ND2 ASN A 11 3.888 13.648 7.029 1.00 0.00 N ATOM 0 H ASN A 11 0.860 12.899 11.369 1.00 0.00 H new ATOM 0 HA ASN A 11 3.439 14.035 10.595 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.966 12.292 8.866 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.394 13.010 8.574 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.361 14.218 6.328 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.059 12.643 7.069 1.00 0.00 H new ATOM 201 N PRO A 12 1.957 16.048 11.148 1.00 0.00 N ATOM 202 CA PRO A 12 1.229 17.301 11.252 1.00 0.00 C ATOM 203 C PRO A 12 1.501 18.195 10.040 1.00 0.00 C ATOM 204 O PRO A 12 0.763 19.147 9.788 1.00 0.00 O ATOM 205 CB PRO A 12 1.694 17.919 12.561 1.00 0.00 C ATOM 206 CG PRO A 12 2.998 17.222 12.911 1.00 0.00 C ATOM 207 CD PRO A 12 3.118 15.988 12.031 1.00 0.00 C ATOM 0 HA PRO A 12 0.148 17.160 11.255 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.842 18.994 12.455 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.952 17.776 13.346 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.844 17.890 12.749 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.011 16.942 13.964 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.048 15.996 11.463 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.116 15.075 12.627 1.00 0.00 H new ATOM 215 N LEU A 13 2.561 17.857 9.321 1.00 0.00 N ATOM 216 CA LEU A 13 2.939 18.616 8.141 1.00 0.00 C ATOM 217 C LEU A 13 1.846 18.478 7.079 1.00 0.00 C ATOM 218 O LEU A 13 1.204 19.461 6.713 1.00 0.00 O ATOM 219 CB LEU A 13 4.327 18.195 7.654 1.00 0.00 C ATOM 220 CG LEU A 13 5.432 18.177 8.712 1.00 0.00 C ATOM 221 CD1 LEU A 13 6.763 17.728 8.107 1.00 0.00 C ATOM 222 CD2 LEU A 13 5.548 19.535 9.407 1.00 0.00 C ATOM 0 H LEU A 13 3.171 17.067 9.533 1.00 0.00 H new ATOM 0 HA LEU A 13 3.019 19.676 8.380 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.251 17.198 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.629 18.870 6.853 1.00 0.00 H new ATOM 0 HG LEU A 13 5.162 17.447 9.475 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.531 17.724 8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.656 16.724 7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.052 18.416 7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.341 19.495 10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.783 20.302 8.669 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.603 19.777 9.893 1.00 0.00 H new ATOM 234 N LEU A 14 1.669 17.250 6.615 1.00 0.00 N ATOM 235 CA LEU A 14 0.666 16.971 5.602 1.00 0.00 C ATOM 236 C LEU A 14 -0.719 16.951 6.254 1.00 0.00 C ATOM 237 O LEU A 14 -1.730 17.128 5.577 1.00 0.00 O ATOM 238 CB LEU A 14 1.009 15.684 4.848 1.00 0.00 C ATOM 239 CG LEU A 14 2.457 15.551 4.373 1.00 0.00 C ATOM 240 CD1 LEU A 14 2.765 14.114 3.949 1.00 0.00 C ATOM 241 CD2 LEU A 14 2.764 16.555 3.260 1.00 0.00 C ATOM 0 H LEU A 14 2.203 16.437 6.922 1.00 0.00 H new ATOM 0 HA LEU A 14 0.654 17.760 4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.780 14.836 5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.354 15.610 3.980 1.00 0.00 H new ATOM 0 HG LEU A 14 3.114 15.788 5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.801 14.047 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.612 13.444 4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.102 13.825 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.800 16.439 2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.101 16.374 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.610 17.568 3.631 1.00 0.00 H new ATOM 253 N ASN A 15 -0.719 16.734 7.561 1.00 0.00 N ATOM 254 CA ASN A 15 -1.962 16.689 8.312 1.00 0.00 C ATOM 255 C ASN A 15 -2.616 15.319 8.125 1.00 0.00 C ATOM 256 O ASN A 15 -3.841 15.206 8.128 1.00 0.00 O ATOM 257 CB ASN A 15 -2.944 17.753 7.816 1.00 0.00 C ATOM 258 CG ASN A 15 -3.597 18.485 8.990 1.00 0.00 C ATOM 259 OD1 ASN A 15 -3.655 19.703 9.041 1.00 0.00 O ATOM 260 ND2 ASN A 15 -4.085 17.677 9.927 1.00 0.00 N ATOM 0 H ASN A 15 0.122 16.587 8.119 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.729 16.874 9.361 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.421 18.469 7.182 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.713 17.285 7.201 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.542 18.069 10.751 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.003 16.666 9.822 1.00 0.00 H new ATOM 267 N ARG A 16 -1.770 14.311 7.966 1.00 0.00 N ATOM 268 CA ARG A 16 -2.251 12.953 7.778 1.00 0.00 C ATOM 269 C ARG A 16 -1.670 12.031 8.852 1.00 0.00 C ATOM 270 O ARG A 16 -1.054 12.498 9.809 1.00 0.00 O ATOM 271 CB ARG A 16 -1.868 12.420 6.396 1.00 0.00 C ATOM 272 CG ARG A 16 -0.375 12.091 6.330 1.00 0.00 C ATOM 273 CD ARG A 16 0.029 11.662 4.918 1.00 0.00 C ATOM 274 NE ARG A 16 1.471 11.330 4.883 1.00 0.00 N ATOM 275 CZ ARG A 16 2.194 11.238 3.759 1.00 0.00 C ATOM 276 NH1 ARG A 16 1.614 11.451 2.570 1.00 0.00 N ATOM 277 NH2 ARG A 16 3.497 10.932 3.823 1.00 0.00 N ATOM 0 H ARG A 16 -0.755 14.408 7.964 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.338 12.971 7.859 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.451 11.527 6.172 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.115 13.161 5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.207 12.963 6.630 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.143 11.294 7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.559 10.798 4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.186 12.463 4.210 1.00 0.00 H new ATOM 0 HE ARG A 16 1.944 11.161 5.771 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.622 11.683 2.521 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.165 11.381 1.714 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.939 10.769 4.728 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.047 10.862 2.967 1.00 0.00 H new ATOM 291 N ARG A 17 -1.887 10.739 8.657 1.00 0.00 N ATOM 292 CA ARG A 17 -1.392 9.747 9.597 1.00 0.00 C ATOM 293 C ARG A 17 -1.100 8.430 8.875 1.00 0.00 C ATOM 294 O ARG A 17 -1.994 7.836 8.274 1.00 0.00 O ATOM 295 CB ARG A 17 -2.406 9.494 10.715 1.00 0.00 C ATOM 296 CG ARG A 17 -1.738 9.568 12.089 1.00 0.00 C ATOM 297 CD ARG A 17 -2.745 9.971 13.168 1.00 0.00 C ATOM 298 NE ARG A 17 -3.095 8.797 13.998 1.00 0.00 N ATOM 299 CZ ARG A 17 -3.861 8.855 15.096 1.00 0.00 C ATOM 300 NH1 ARG A 17 -4.362 10.029 15.502 1.00 0.00 N ATOM 301 NH2 ARG A 17 -4.126 7.738 15.787 1.00 0.00 N ATOM 0 H ARG A 17 -2.399 10.356 7.862 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.473 10.136 10.036 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.208 10.230 10.657 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.863 8.513 10.581 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.301 8.601 12.337 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.921 10.289 12.062 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.324 10.757 13.795 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.643 10.380 12.705 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.730 7.887 13.717 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.160 10.879 14.975 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.945 10.073 16.338 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.745 6.844 15.477 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.709 7.782 16.623 1.00 0.00 H new ATOM 315 N GLU A 18 0.155 8.013 8.958 1.00 0.00 N ATOM 316 CA GLU A 18 0.576 6.777 8.320 1.00 0.00 C ATOM 317 C GLU A 18 0.452 5.606 9.297 1.00 0.00 C ATOM 318 O GLU A 18 1.300 5.430 10.171 1.00 0.00 O ATOM 319 CB GLU A 18 2.004 6.896 7.785 1.00 0.00 C ATOM 320 CG GLU A 18 2.135 8.086 6.831 1.00 0.00 C ATOM 321 CD GLU A 18 1.699 7.704 5.415 1.00 0.00 C ATOM 322 OE1 GLU A 18 0.701 6.960 5.310 1.00 0.00 O ATOM 323 OE2 GLU A 18 2.375 8.166 4.470 1.00 0.00 O ATOM 0 H GLU A 18 0.894 8.509 9.457 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.081 6.587 7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.699 7.014 8.616 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.280 5.978 7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.526 8.915 7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.168 8.433 6.816 1.00 0.00 H new ATOM 330 N LEU A 19 -0.610 4.836 9.116 1.00 0.00 N ATOM 331 CA LEU A 19 -0.856 3.687 9.971 1.00 0.00 C ATOM 332 C LEU A 19 -0.594 2.403 9.180 1.00 0.00 C ATOM 333 O LEU A 19 -1.036 2.271 8.040 1.00 0.00 O ATOM 334 CB LEU A 19 -2.258 3.760 10.578 1.00 0.00 C ATOM 335 CG LEU A 19 -2.705 5.138 11.070 1.00 0.00 C ATOM 336 CD1 LEU A 19 -3.930 5.626 10.295 1.00 0.00 C ATOM 337 CD2 LEU A 19 -2.949 5.128 12.580 1.00 0.00 C ATOM 0 H LEU A 19 -1.311 4.985 8.390 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.168 3.688 10.817 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.974 3.413 9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.307 3.064 11.415 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.900 5.847 10.878 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.227 6.608 10.664 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.686 5.696 9.235 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.751 4.923 10.432 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.266 6.119 12.904 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.727 4.403 12.818 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.028 4.855 13.096 1.00 0.00 H new ATOM 349 N ASP A 20 0.124 1.490 9.817 1.00 0.00 N ATOM 350 CA ASP A 20 0.450 0.222 9.187 1.00 0.00 C ATOM 351 C ASP A 20 -0.186 -0.918 9.986 1.00 0.00 C ATOM 352 O ASP A 20 -0.237 -0.868 11.214 1.00 0.00 O ATOM 353 CB ASP A 20 1.963 -0.007 9.161 1.00 0.00 C ATOM 354 CG ASP A 20 2.469 -0.845 7.985 1.00 0.00 C ATOM 355 OD1 ASP A 20 1.694 -0.991 7.016 1.00 0.00 O ATOM 356 OD2 ASP A 20 3.621 -1.321 8.082 1.00 0.00 O ATOM 0 H ASP A 20 0.489 1.603 10.763 1.00 0.00 H new ATOM 0 HA ASP A 20 0.071 0.246 8.165 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.462 0.962 9.139 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.258 -0.496 10.090 1.00 0.00 H new ATOM 361 N PHE A 21 -0.656 -1.919 9.256 1.00 0.00 N ATOM 362 CA PHE A 21 -1.288 -3.069 9.880 1.00 0.00 C ATOM 363 C PHE A 21 -1.275 -4.278 8.943 1.00 0.00 C ATOM 364 O PHE A 21 -0.945 -4.151 7.765 1.00 0.00 O ATOM 365 CB PHE A 21 -2.739 -2.679 10.171 1.00 0.00 C ATOM 366 CG PHE A 21 -3.575 -2.413 8.918 1.00 0.00 C ATOM 367 CD1 PHE A 21 -3.401 -1.261 8.216 1.00 0.00 C ATOM 368 CD2 PHE A 21 -4.491 -3.329 8.505 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.177 -1.014 7.053 1.00 0.00 C ATOM 370 CE2 PHE A 21 -5.267 -3.082 7.341 1.00 0.00 C ATOM 371 CZ PHE A 21 -5.094 -1.930 6.640 1.00 0.00 C ATOM 0 H PHE A 21 -0.612 -1.957 8.238 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.750 -3.342 10.788 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.210 -3.475 10.747 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.746 -1.786 10.796 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.672 -0.534 8.543 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.629 -4.244 9.062 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.039 -0.099 6.496 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.995 -3.810 7.013 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.684 -1.742 5.755 1.00 0.00 H new ATOM 381 N ILE A 22 -1.638 -5.423 9.501 1.00 0.00 N ATOM 382 CA ILE A 22 -1.672 -6.654 8.730 1.00 0.00 C ATOM 383 C ILE A 22 -3.092 -7.223 8.749 1.00 0.00 C ATOM 384 O ILE A 22 -3.721 -7.298 9.804 1.00 0.00 O ATOM 385 CB ILE A 22 -0.610 -7.633 9.236 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.782 -6.999 9.197 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.663 -8.949 8.457 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.285 -6.866 7.758 1.00 0.00 C ATOM 0 H ILE A 22 -1.911 -5.524 10.478 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.420 -6.458 7.688 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.828 -7.867 10.278 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.751 -6.016 9.667 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.478 -7.607 9.775 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.102 -9.627 8.836 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.645 -9.405 8.579 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.483 -8.754 7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.276 -6.413 7.759 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.338 -7.853 7.298 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.599 -6.238 7.190 1.00 0.00 H new ATOM 400 N VAL A 23 -3.556 -7.611 7.570 1.00 0.00 N ATOM 401 CA VAL A 23 -4.890 -8.171 7.438 1.00 0.00 C ATOM 402 C VAL A 23 -4.788 -9.691 7.292 1.00 0.00 C ATOM 403 O VAL A 23 -4.049 -10.188 6.444 1.00 0.00 O ATOM 404 CB VAL A 23 -5.623 -7.506 6.271 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.124 -7.801 6.328 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.361 -5.999 6.246 1.00 0.00 C ATOM 0 H VAL A 23 -3.032 -7.548 6.697 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.480 -7.969 8.332 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.233 -7.929 5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.622 -7.317 5.488 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.285 -8.878 6.274 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.535 -7.419 7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.894 -5.551 5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.711 -5.553 7.177 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.292 -5.817 6.136 1.00 0.00 H new ATOM 416 N LYS A 24 -5.541 -10.386 8.132 1.00 0.00 N ATOM 417 CA LYS A 24 -5.544 -11.838 8.107 1.00 0.00 C ATOM 418 C LYS A 24 -6.982 -12.338 7.951 1.00 0.00 C ATOM 419 O LYS A 24 -7.920 -11.698 8.425 1.00 0.00 O ATOM 420 CB LYS A 24 -4.830 -12.397 9.339 1.00 0.00 C ATOM 421 CG LYS A 24 -3.349 -12.647 9.048 1.00 0.00 C ATOM 422 CD LYS A 24 -2.557 -12.823 10.345 1.00 0.00 C ATOM 423 CE LYS A 24 -1.170 -13.407 10.066 1.00 0.00 C ATOM 424 NZ LYS A 24 -1.087 -14.802 10.553 1.00 0.00 N ATOM 0 H LYS A 24 -6.153 -9.970 8.834 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.983 -12.205 7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.928 -11.698 10.169 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.306 -13.328 9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.242 -13.538 8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.941 -11.812 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.456 -11.861 10.847 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.103 -13.480 11.022 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.965 -13.376 8.996 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.408 -12.799 10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.140 -15.183 10.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.262 -14.823 11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.801 -15.382 10.068 1.00 0.00 H new ATOM 438 N TYR A 25 -7.110 -13.476 7.285 1.00 0.00 N ATOM 439 CA TYR A 25 -8.418 -14.069 7.061 1.00 0.00 C ATOM 440 C TYR A 25 -8.293 -15.548 6.691 1.00 0.00 C ATOM 441 O TYR A 25 -7.188 -16.053 6.500 1.00 0.00 O ATOM 442 CB TYR A 25 -9.027 -13.310 5.880 1.00 0.00 C ATOM 443 CG TYR A 25 -8.089 -13.167 4.680 1.00 0.00 C ATOM 444 CD1 TYR A 25 -7.099 -12.205 4.689 1.00 0.00 C ATOM 445 CD2 TYR A 25 -8.231 -14.001 3.590 1.00 0.00 C ATOM 446 CE1 TYR A 25 -6.216 -12.071 3.560 1.00 0.00 C ATOM 447 CE2 TYR A 25 -7.348 -13.867 2.461 1.00 0.00 C ATOM 448 CZ TYR A 25 -6.384 -12.908 2.501 1.00 0.00 C ATOM 449 OH TYR A 25 -5.549 -12.781 1.435 1.00 0.00 O ATOM 0 H TYR A 25 -6.330 -14.003 6.893 1.00 0.00 H new ATOM 0 HA TYR A 25 -9.029 -14.003 7.961 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.933 -13.824 5.560 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.325 -12.317 6.215 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.987 -11.553 5.543 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -9.005 -14.754 3.584 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.437 -11.323 3.554 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.449 -14.513 1.602 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.070 -12.557 0.636 1.00 0.00 H new ATOM 459 N GLU A 26 -9.442 -16.202 6.602 1.00 0.00 N ATOM 460 CA GLU A 26 -9.475 -17.613 6.259 1.00 0.00 C ATOM 461 C GLU A 26 -10.473 -17.861 5.125 1.00 0.00 C ATOM 462 O GLU A 26 -11.534 -18.442 5.344 1.00 0.00 O ATOM 463 CB GLU A 26 -9.813 -18.467 7.482 1.00 0.00 C ATOM 464 CG GLU A 26 -8.542 -19.002 8.146 1.00 0.00 C ATOM 465 CD GLU A 26 -8.802 -19.375 9.607 1.00 0.00 C ATOM 466 OE1 GLU A 26 -9.716 -20.198 9.828 1.00 0.00 O ATOM 467 OE2 GLU A 26 -8.081 -18.829 10.469 1.00 0.00 O ATOM 0 H GLU A 26 -10.357 -15.780 6.762 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.483 -17.906 5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.380 -17.873 8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.450 -19.300 7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.184 -19.876 7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.755 -18.249 8.094 1.00 0.00 H new ATOM 474 N GLY A 27 -10.096 -17.406 3.939 1.00 0.00 N ATOM 475 CA GLY A 27 -10.944 -17.571 2.771 1.00 0.00 C ATOM 476 C GLY A 27 -10.821 -16.370 1.830 1.00 0.00 C ATOM 477 O GLY A 27 -9.765 -15.746 1.750 1.00 0.00 O ATOM 0 H GLY A 27 -9.215 -16.923 3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.666 -18.482 2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.982 -17.688 3.084 1.00 0.00 H new ATOM 481 N SER A 28 -11.916 -16.084 1.142 1.00 0.00 N ATOM 482 CA SER A 28 -11.944 -14.969 0.210 1.00 0.00 C ATOM 483 C SER A 28 -11.284 -13.742 0.842 1.00 0.00 C ATOM 484 O SER A 28 -11.550 -13.416 1.997 1.00 0.00 O ATOM 485 CB SER A 28 -13.377 -14.642 -0.214 1.00 0.00 C ATOM 486 OG SER A 28 -14.233 -15.778 -0.127 1.00 0.00 O ATOM 0 H SER A 28 -12.790 -16.605 1.211 1.00 0.00 H new ATOM 0 HA SER A 28 -11.386 -15.254 -0.682 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.768 -13.844 0.417 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.375 -14.267 -1.237 1.00 0.00 H new ATOM 0 HG SER A 28 -15.139 -15.527 -0.404 1.00 0.00 H new ATOM 492 N THR A 29 -10.436 -13.096 0.055 1.00 0.00 N ATOM 493 CA THR A 29 -9.735 -11.912 0.523 1.00 0.00 C ATOM 494 C THR A 29 -10.730 -10.791 0.832 1.00 0.00 C ATOM 495 O THR A 29 -11.760 -10.670 0.170 1.00 0.00 O ATOM 496 CB THR A 29 -8.696 -11.529 -0.532 1.00 0.00 C ATOM 497 OG1 THR A 29 -7.618 -12.431 -0.301 1.00 0.00 O ATOM 498 CG2 THR A 29 -8.087 -10.148 -0.281 1.00 0.00 C ATOM 0 H THR A 29 -10.219 -13.370 -0.903 1.00 0.00 H new ATOM 0 HA THR A 29 -9.211 -12.106 1.459 1.00 0.00 H new ATOM 0 HB THR A 29 -9.158 -11.547 -1.519 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.750 -12.886 0.557 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.356 -9.926 -1.059 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.875 -9.395 -0.297 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.596 -10.138 0.692 1.00 0.00 H new ATOM 506 N PRO A 30 -10.378 -9.978 1.863 1.00 0.00 N ATOM 507 CA PRO A 30 -11.228 -8.871 2.267 1.00 0.00 C ATOM 508 C PRO A 30 -11.127 -7.711 1.274 1.00 0.00 C ATOM 509 O PRO A 30 -10.175 -7.634 0.499 1.00 0.00 O ATOM 510 CB PRO A 30 -10.754 -8.500 3.663 1.00 0.00 C ATOM 511 CG PRO A 30 -9.363 -9.098 3.804 1.00 0.00 C ATOM 512 CD PRO A 30 -9.166 -10.091 2.670 1.00 0.00 C ATOM 0 HA PRO A 30 -12.286 -9.135 2.277 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.729 -7.418 3.792 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.428 -8.896 4.422 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.605 -8.316 3.763 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.257 -9.594 4.769 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.277 -9.853 2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.036 -11.105 3.049 1.00 0.00 H new ATOM 520 N SER A 31 -12.122 -6.838 1.330 1.00 0.00 N ATOM 521 CA SER A 31 -12.158 -5.687 0.444 1.00 0.00 C ATOM 522 C SER A 31 -11.598 -4.457 1.163 1.00 0.00 C ATOM 523 O SER A 31 -11.837 -4.268 2.354 1.00 0.00 O ATOM 524 CB SER A 31 -13.581 -5.413 -0.046 1.00 0.00 C ATOM 525 OG SER A 31 -14.156 -6.553 -0.678 1.00 0.00 O ATOM 0 H SER A 31 -12.909 -6.905 1.975 1.00 0.00 H new ATOM 0 HA SER A 31 -11.539 -5.905 -0.426 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.203 -5.113 0.797 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.569 -4.578 -0.746 1.00 0.00 H new ATOM 0 HG SER A 31 -15.065 -6.339 -0.975 1.00 0.00 H new ATOM 531 N ARG A 32 -10.864 -3.653 0.408 1.00 0.00 N ATOM 532 CA ARG A 32 -10.268 -2.447 0.958 1.00 0.00 C ATOM 533 C ARG A 32 -11.304 -1.666 1.769 1.00 0.00 C ATOM 534 O ARG A 32 -10.971 -1.052 2.781 1.00 0.00 O ATOM 535 CB ARG A 32 -9.718 -1.550 -0.152 1.00 0.00 C ATOM 536 CG ARG A 32 -8.360 -2.056 -0.643 1.00 0.00 C ATOM 537 CD ARG A 32 -8.177 -1.774 -2.136 1.00 0.00 C ATOM 538 NE ARG A 32 -7.250 -0.636 -2.326 1.00 0.00 N ATOM 539 CZ ARG A 32 -6.939 -0.112 -3.520 1.00 0.00 C ATOM 540 NH1 ARG A 32 -7.478 -0.620 -4.636 1.00 0.00 N ATOM 541 NH2 ARG A 32 -6.088 0.921 -3.597 1.00 0.00 N ATOM 0 H ARG A 32 -10.668 -3.813 -0.580 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.446 -2.749 1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.422 -1.521 -0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.618 -0.529 0.216 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.562 -1.574 -0.078 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.279 -3.127 -0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.786 -2.660 -2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.141 -1.549 -2.593 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.821 -0.225 -1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.125 -1.406 -4.578 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.241 -0.221 -5.544 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.677 1.308 -2.747 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.851 1.320 -4.505 1.00 0.00 H new ATOM 555 N ASN A 33 -12.540 -1.715 1.294 1.00 0.00 N ATOM 556 CA ASN A 33 -13.627 -1.020 1.963 1.00 0.00 C ATOM 557 C ASN A 33 -13.910 -1.697 3.305 1.00 0.00 C ATOM 558 O ASN A 33 -14.165 -1.024 4.303 1.00 0.00 O ATOM 559 CB ASN A 33 -14.908 -1.069 1.128 1.00 0.00 C ATOM 560 CG ASN A 33 -15.119 0.242 0.370 1.00 0.00 C ATOM 561 OD1 ASN A 33 -15.587 1.232 0.908 1.00 0.00 O ATOM 562 ND2 ASN A 33 -14.749 0.194 -0.907 1.00 0.00 N ATOM 0 H ASN A 33 -12.813 -2.225 0.454 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.328 0.019 2.103 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -14.854 -1.897 0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.763 -1.259 1.777 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.850 1.019 -1.499 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.364 -0.668 -1.294 1.00 0.00 H new ATOM 569 N ASP A 34 -13.857 -3.021 3.287 1.00 0.00 N ATOM 570 CA ASP A 34 -14.105 -3.797 4.490 1.00 0.00 C ATOM 571 C ASP A 34 -13.018 -3.490 5.522 1.00 0.00 C ATOM 572 O ASP A 34 -13.312 -3.301 6.702 1.00 0.00 O ATOM 573 CB ASP A 34 -14.067 -5.298 4.195 1.00 0.00 C ATOM 574 CG ASP A 34 -15.411 -6.017 4.332 1.00 0.00 C ATOM 575 OD1 ASP A 34 -16.154 -5.657 5.270 1.00 0.00 O ATOM 576 OD2 ASP A 34 -15.663 -6.911 3.495 1.00 0.00 O ATOM 0 H ASP A 34 -13.646 -3.576 2.458 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.092 -3.529 4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.695 -5.445 3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.350 -5.768 4.869 1.00 0.00 H new ATOM 581 N VAL A 35 -11.784 -3.451 5.041 1.00 0.00 N ATOM 582 CA VAL A 35 -10.651 -3.171 5.907 1.00 0.00 C ATOM 583 C VAL A 35 -10.741 -1.728 6.406 1.00 0.00 C ATOM 584 O VAL A 35 -10.472 -1.453 7.575 1.00 0.00 O ATOM 585 CB VAL A 35 -9.343 -3.469 5.171 1.00 0.00 C ATOM 586 CG1 VAL A 35 -8.144 -2.906 5.936 1.00 0.00 C ATOM 587 CG2 VAL A 35 -9.182 -4.971 4.927 1.00 0.00 C ATOM 0 H VAL A 35 -11.544 -3.609 4.062 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.670 -3.820 6.783 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.383 -2.974 4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.227 -3.131 5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.251 -1.826 6.036 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.099 -3.359 6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.245 -5.156 4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.173 -5.496 5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.014 -5.333 4.322 1.00 0.00 H new ATOM 597 N ARG A 36 -11.120 -0.843 5.495 1.00 0.00 N ATOM 598 CA ARG A 36 -11.249 0.566 5.828 1.00 0.00 C ATOM 599 C ARG A 36 -12.268 0.754 6.954 1.00 0.00 C ATOM 600 O ARG A 36 -11.971 1.388 7.965 1.00 0.00 O ATOM 601 CB ARG A 36 -11.687 1.381 4.610 1.00 0.00 C ATOM 602 CG ARG A 36 -10.559 2.295 4.127 1.00 0.00 C ATOM 603 CD ARG A 36 -11.119 3.527 3.413 1.00 0.00 C ATOM 604 NE ARG A 36 -10.466 3.688 2.095 1.00 0.00 N ATOM 605 CZ ARG A 36 -10.981 4.398 1.082 1.00 0.00 C ATOM 606 NH1 ARG A 36 -12.160 5.018 1.231 1.00 0.00 N ATOM 607 NH2 ARG A 36 -10.318 4.489 -0.079 1.00 0.00 N ATOM 0 H ARG A 36 -11.342 -1.074 4.527 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.272 0.921 6.156 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.984 0.708 3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.562 1.980 4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.951 2.607 4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.904 1.745 3.451 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.196 3.425 3.284 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.954 4.416 4.021 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.567 3.229 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.664 4.949 2.115 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.553 5.559 0.460 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.421 4.018 -0.192 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.711 5.030 -0.850 1.00 0.00 H new ATOM 621 N ASN A 37 -13.448 0.192 6.740 1.00 0.00 N ATOM 622 CA ASN A 37 -14.513 0.290 7.724 1.00 0.00 C ATOM 623 C ASN A 37 -14.035 -0.309 9.048 1.00 0.00 C ATOM 624 O ASN A 37 -14.381 0.187 10.119 1.00 0.00 O ATOM 625 CB ASN A 37 -15.752 -0.486 7.274 1.00 0.00 C ATOM 626 CG ASN A 37 -16.818 0.458 6.715 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.211 1.431 7.338 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.261 0.120 5.508 1.00 0.00 N ATOM 0 H ASN A 37 -13.691 -0.333 5.900 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.769 1.343 7.839 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.472 -1.215 6.514 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.161 -1.044 8.116 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.972 0.688 5.048 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.889 -0.708 5.042 1.00 0.00 H new ATOM 635 N LYS A 38 -13.247 -1.368 8.931 1.00 0.00 N ATOM 636 CA LYS A 38 -12.718 -2.040 10.106 1.00 0.00 C ATOM 637 C LYS A 38 -11.782 -1.089 10.855 1.00 0.00 C ATOM 638 O LYS A 38 -11.946 -0.867 12.053 1.00 0.00 O ATOM 639 CB LYS A 38 -12.062 -3.366 9.715 1.00 0.00 C ATOM 640 CG LYS A 38 -12.024 -4.331 10.902 1.00 0.00 C ATOM 641 CD LYS A 38 -12.365 -5.755 10.461 1.00 0.00 C ATOM 642 CE LYS A 38 -12.698 -6.637 11.666 1.00 0.00 C ATOM 643 NZ LYS A 38 -14.144 -6.948 11.698 1.00 0.00 N ATOM 0 H LYS A 38 -12.962 -1.777 8.041 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.525 -2.299 10.791 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.613 -3.819 8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.048 -3.183 9.358 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.034 -4.315 11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.731 -4.003 11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.212 -5.734 9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.524 -6.182 9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.122 -7.561 11.617 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.409 -6.129 12.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.352 -7.547 12.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.688 -6.064 11.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.410 -7.452 10.828 1.00 0.00 H new ATOM 657 N LEU A 39 -10.822 -0.551 10.117 1.00 0.00 N ATOM 658 CA LEU A 39 -9.860 0.371 10.696 1.00 0.00 C ATOM 659 C LEU A 39 -10.600 1.588 11.255 1.00 0.00 C ATOM 660 O LEU A 39 -10.431 1.939 12.422 1.00 0.00 O ATOM 661 CB LEU A 39 -8.777 0.726 9.675 1.00 0.00 C ATOM 662 CG LEU A 39 -7.332 0.496 10.124 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.785 -0.816 9.558 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.448 1.690 9.760 1.00 0.00 C ATOM 0 H LEU A 39 -10.690 -0.736 9.123 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.338 -0.097 11.531 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.953 0.143 8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.890 1.776 9.405 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.322 0.408 11.210 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.757 -0.956 9.892 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.397 -1.647 9.909 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.811 -0.781 8.469 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.427 1.501 10.090 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.459 1.835 8.680 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.827 2.587 10.250 1.00 0.00 H new ATOM 676 N ALA A 40 -11.405 2.197 10.397 1.00 0.00 N ATOM 677 CA ALA A 40 -12.171 3.367 10.790 1.00 0.00 C ATOM 678 C ALA A 40 -12.883 3.083 12.115 1.00 0.00 C ATOM 679 O ALA A 40 -13.002 3.968 12.961 1.00 0.00 O ATOM 680 CB ALA A 40 -13.147 3.739 9.672 1.00 0.00 C ATOM 0 H ALA A 40 -11.543 1.902 9.431 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.513 4.222 10.945 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.721 4.617 9.968 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.590 3.959 8.761 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.826 2.906 9.489 1.00 0.00 H new ATOM 686 N ALA A 41 -13.337 1.846 12.252 1.00 0.00 N ATOM 687 CA ALA A 41 -14.034 1.435 13.459 1.00 0.00 C ATOM 688 C ALA A 41 -13.020 1.249 14.590 1.00 0.00 C ATOM 689 O ALA A 41 -13.301 1.578 15.741 1.00 0.00 O ATOM 690 CB ALA A 41 -14.833 0.161 13.178 1.00 0.00 C ATOM 0 H ALA A 41 -13.236 1.115 11.548 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.742 2.202 13.773 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.356 -0.148 14.083 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.558 0.353 12.388 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.155 -0.632 12.863 1.00 0.00 H new ATOM 696 N MET A 42 -11.861 0.723 14.222 1.00 0.00 N ATOM 697 CA MET A 42 -10.803 0.490 15.191 1.00 0.00 C ATOM 698 C MET A 42 -10.263 1.811 15.741 1.00 0.00 C ATOM 699 O MET A 42 -10.107 1.967 16.952 1.00 0.00 O ATOM 700 CB MET A 42 -9.667 -0.291 14.528 1.00 0.00 C ATOM 701 CG MET A 42 -9.992 -1.785 14.465 1.00 0.00 C ATOM 702 SD MET A 42 -9.173 -2.529 13.064 1.00 0.00 S ATOM 703 CE MET A 42 -7.473 -2.165 13.470 1.00 0.00 C ATOM 0 H MET A 42 -11.631 0.451 13.266 1.00 0.00 H new ATOM 0 HA MET A 42 -11.215 -0.085 16.020 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.498 0.091 13.521 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.743 -0.139 15.086 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.673 -2.274 15.385 1.00 0.00 H new ATOM 0 HG3 MET A 42 -11.070 -1.928 14.385 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.878 -2.143 12.557 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.417 -1.195 13.964 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.085 -2.935 14.137 1.00 0.00 H new ATOM 713 N LEU A 43 -9.991 2.730 14.826 1.00 0.00 N ATOM 714 CA LEU A 43 -9.471 4.032 15.204 1.00 0.00 C ATOM 715 C LEU A 43 -10.636 5.001 15.414 1.00 0.00 C ATOM 716 O LEU A 43 -10.426 6.192 15.636 1.00 0.00 O ATOM 717 CB LEU A 43 -8.445 4.518 14.178 1.00 0.00 C ATOM 718 CG LEU A 43 -7.837 3.442 13.276 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.661 4.001 12.472 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.441 2.207 14.087 1.00 0.00 C ATOM 0 H LEU A 43 -10.121 2.598 13.823 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.935 3.967 16.151 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.920 5.268 13.546 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.636 5.017 14.711 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.596 3.127 12.560 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.247 3.216 11.839 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.006 4.826 11.848 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.891 4.360 13.155 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.012 1.458 13.422 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.706 2.487 14.841 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.323 1.795 14.576 1.00 0.00 H new ATOM 732 N ASN A 44 -11.840 4.453 15.336 1.00 0.00 N ATOM 733 CA ASN A 44 -13.040 5.254 15.515 1.00 0.00 C ATOM 734 C ASN A 44 -12.895 6.563 14.736 1.00 0.00 C ATOM 735 O ASN A 44 -13.316 7.618 15.206 1.00 0.00 O ATOM 736 CB ASN A 44 -13.255 5.602 16.989 1.00 0.00 C ATOM 737 CG ASN A 44 -13.017 4.382 17.881 1.00 0.00 C ATOM 738 OD1 ASN A 44 -13.928 3.653 18.236 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.744 4.201 18.222 1.00 0.00 N ATOM 0 H ASN A 44 -12.011 3.464 15.151 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.890 4.674 15.154 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.579 6.406 17.279 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -14.270 5.971 17.135 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.482 3.414 18.815 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.030 4.849 17.890 1.00 0.00 H new ATOM 746 N ALA A 45 -12.297 6.451 13.559 1.00 0.00 N ATOM 747 CA ALA A 45 -12.091 7.612 12.711 1.00 0.00 C ATOM 748 C ALA A 45 -13.007 7.515 11.489 1.00 0.00 C ATOM 749 O ALA A 45 -13.578 6.460 11.219 1.00 0.00 O ATOM 750 CB ALA A 45 -10.614 7.708 12.325 1.00 0.00 C ATOM 0 H ALA A 45 -11.949 5.574 13.173 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.348 8.527 13.245 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.460 8.579 11.689 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.008 7.805 13.226 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.320 6.808 11.785 1.00 0.00 H new ATOM 756 N PRO A 46 -13.122 8.660 10.765 1.00 0.00 N ATOM 757 CA PRO A 46 -13.959 8.714 9.578 1.00 0.00 C ATOM 758 C PRO A 46 -13.292 7.997 8.403 1.00 0.00 C ATOM 759 O PRO A 46 -12.068 8.004 8.280 1.00 0.00 O ATOM 760 CB PRO A 46 -14.182 10.196 9.320 1.00 0.00 C ATOM 761 CG PRO A 46 -13.088 10.921 10.088 1.00 0.00 C ATOM 762 CD PRO A 46 -12.461 9.929 11.054 1.00 0.00 C ATOM 0 HA PRO A 46 -14.910 8.199 9.711 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.126 10.420 8.255 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.170 10.507 9.659 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.337 11.314 9.403 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.501 11.772 10.629 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.384 9.857 10.904 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.619 10.231 12.089 1.00 0.00 H new ATOM 770 N LEU A 47 -14.126 7.393 7.569 1.00 0.00 N ATOM 771 CA LEU A 47 -13.633 6.672 6.408 1.00 0.00 C ATOM 772 C LEU A 47 -13.115 7.674 5.373 1.00 0.00 C ATOM 773 O LEU A 47 -12.005 7.528 4.865 1.00 0.00 O ATOM 774 CB LEU A 47 -14.708 5.728 5.866 1.00 0.00 C ATOM 775 CG LEU A 47 -14.222 4.354 5.401 1.00 0.00 C ATOM 776 CD1 LEU A 47 -14.554 3.276 6.435 1.00 0.00 C ATOM 777 CD2 LEU A 47 -14.781 4.014 4.018 1.00 0.00 C ATOM 0 H LEU A 47 -15.141 7.388 7.675 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.793 6.035 6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.460 5.582 6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.205 6.218 5.029 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.136 4.388 5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.198 2.309 6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -14.068 3.517 7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.633 3.233 6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.420 3.032 3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.870 4.004 4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.451 4.763 3.298 1.00 0.00 H new ATOM 789 N GLU A 48 -13.945 8.667 5.092 1.00 0.00 N ATOM 790 CA GLU A 48 -13.586 9.692 4.127 1.00 0.00 C ATOM 791 C GLU A 48 -12.160 10.185 4.383 1.00 0.00 C ATOM 792 O GLU A 48 -11.406 10.430 3.442 1.00 0.00 O ATOM 793 CB GLU A 48 -14.582 10.853 4.164 1.00 0.00 C ATOM 794 CG GLU A 48 -14.903 11.255 5.604 1.00 0.00 C ATOM 795 CD GLU A 48 -16.413 11.250 5.852 1.00 0.00 C ATOM 796 OE1 GLU A 48 -16.994 10.146 5.789 1.00 0.00 O ATOM 797 OE2 GLU A 48 -16.951 12.351 6.099 1.00 0.00 O ATOM 0 H GLU A 48 -14.865 8.784 5.516 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.625 9.254 3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.170 11.708 3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.499 10.566 3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.415 10.567 6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.501 12.248 5.806 1.00 0.00 H new ATOM 804 N LEU A 49 -11.833 10.315 5.660 1.00 0.00 N ATOM 805 CA LEU A 49 -10.511 10.774 6.051 1.00 0.00 C ATOM 806 C LEU A 49 -9.522 9.612 5.950 1.00 0.00 C ATOM 807 O LEU A 49 -8.331 9.822 5.722 1.00 0.00 O ATOM 808 CB LEU A 49 -10.557 11.424 7.435 1.00 0.00 C ATOM 809 CG LEU A 49 -11.480 12.636 7.577 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.240 13.356 8.905 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.336 13.578 6.380 1.00 0.00 C ATOM 0 H LEU A 49 -12.461 10.110 6.438 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.161 11.551 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.867 10.670 8.159 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.546 11.729 7.705 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.511 12.281 7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.909 14.213 8.980 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.434 12.671 9.730 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.206 13.697 8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.003 14.431 6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.306 13.929 6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.596 13.046 5.465 1.00 0.00 H new ATOM 823 N LEU A 50 -10.050 8.410 6.126 1.00 0.00 N ATOM 824 CA LEU A 50 -9.229 7.213 6.057 1.00 0.00 C ATOM 825 C LEU A 50 -9.049 6.806 4.594 1.00 0.00 C ATOM 826 O LEU A 50 -10.023 6.702 3.850 1.00 0.00 O ATOM 827 CB LEU A 50 -9.819 6.107 6.935 1.00 0.00 C ATOM 828 CG LEU A 50 -8.835 5.390 7.862 1.00 0.00 C ATOM 829 CD1 LEU A 50 -9.113 5.731 9.327 1.00 0.00 C ATOM 830 CD2 LEU A 50 -8.848 3.881 7.612 1.00 0.00 C ATOM 0 H LEU A 50 -11.037 8.239 6.316 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.235 7.410 6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.613 6.539 7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.283 5.364 6.286 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.830 5.746 7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.399 5.208 9.964 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.012 6.806 9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.125 5.422 9.587 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.140 3.395 8.283 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.849 3.490 7.795 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.564 3.681 6.579 1.00 0.00 H new ATOM 842 N VAL A 51 -7.796 6.586 4.224 1.00 0.00 N ATOM 843 CA VAL A 51 -7.476 6.193 2.862 1.00 0.00 C ATOM 844 C VAL A 51 -6.505 5.011 2.892 1.00 0.00 C ATOM 845 O VAL A 51 -5.805 4.803 3.882 1.00 0.00 O ATOM 846 CB VAL A 51 -6.932 7.393 2.085 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.132 7.207 0.579 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.575 8.695 2.567 1.00 0.00 C ATOM 0 H VAL A 51 -6.990 6.672 4.844 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.374 5.864 2.339 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.861 7.458 2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.737 8.074 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.607 6.310 0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.195 7.104 0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.171 9.533 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.654 8.644 2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.359 8.837 3.626 1.00 0.00 H new ATOM 858 N ILE A 52 -6.493 4.267 1.796 1.00 0.00 N ATOM 859 CA ILE A 52 -5.620 3.111 1.684 1.00 0.00 C ATOM 860 C ILE A 52 -4.650 3.321 0.520 1.00 0.00 C ATOM 861 O ILE A 52 -5.073 3.577 -0.607 1.00 0.00 O ATOM 862 CB ILE A 52 -6.443 1.826 1.575 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.532 1.780 2.649 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.540 0.592 1.620 1.00 0.00 C ATOM 865 CD1 ILE A 52 -6.994 1.183 3.950 1.00 0.00 C ATOM 0 H ILE A 52 -7.075 4.443 0.977 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.017 3.000 2.586 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.945 1.822 0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.907 2.786 2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.374 1.186 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.150 -0.308 1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.835 0.627 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.991 0.577 2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.788 1.162 4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.642 0.168 3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.168 1.793 4.316 1.00 0.00 H new ATOM 877 N GLN A 53 -3.367 3.205 0.831 1.00 0.00 N ATOM 878 CA GLN A 53 -2.334 3.378 -0.175 1.00 0.00 C ATOM 879 C GLN A 53 -2.401 2.250 -1.205 1.00 0.00 C ATOM 880 O GLN A 53 -2.540 2.503 -2.401 1.00 0.00 O ATOM 881 CB GLN A 53 -0.948 3.451 0.469 1.00 0.00 C ATOM 882 CG GLN A 53 0.140 3.634 -0.591 1.00 0.00 C ATOM 883 CD GLN A 53 1.426 4.183 0.033 1.00 0.00 C ATOM 884 OE1 GLN A 53 1.663 5.379 0.078 1.00 0.00 O ATOM 885 NE2 GLN A 53 2.239 3.244 0.509 1.00 0.00 N ATOM 0 H GLN A 53 -3.020 2.993 1.766 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.510 4.323 -0.689 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.915 4.280 1.176 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.758 2.540 1.037 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.345 2.679 -1.075 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.212 4.315 -1.365 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.979 2.260 0.438 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.123 3.508 0.945 1.00 0.00 H new ATOM 894 N ARG A 54 -2.300 1.027 -0.704 1.00 0.00 N ATOM 895 CA ARG A 54 -2.348 -0.142 -1.566 1.00 0.00 C ATOM 896 C ARG A 54 -2.147 -1.416 -0.744 1.00 0.00 C ATOM 897 O ARG A 54 -1.211 -1.506 0.049 1.00 0.00 O ATOM 898 CB ARG A 54 -1.274 -0.069 -2.653 1.00 0.00 C ATOM 899 CG ARG A 54 -1.759 -0.723 -3.949 1.00 0.00 C ATOM 900 CD ARG A 54 -2.012 0.328 -5.032 1.00 0.00 C ATOM 901 NE ARG A 54 -1.861 -0.281 -6.372 1.00 0.00 N ATOM 902 CZ ARG A 54 -0.693 -0.694 -6.882 1.00 0.00 C ATOM 903 NH1 ARG A 54 0.433 -0.567 -6.167 1.00 0.00 N ATOM 904 NH2 ARG A 54 -0.650 -1.235 -8.108 1.00 0.00 N ATOM 0 H ARG A 54 -2.185 0.821 0.288 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.329 -0.164 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.014 0.972 -2.842 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.368 -0.566 -2.308 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.016 -1.440 -4.299 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.675 -1.281 -3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.015 0.742 -4.922 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.312 1.155 -4.918 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.699 -0.393 -6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.401 -0.156 -5.234 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.322 -0.882 -6.556 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.507 -1.332 -8.653 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.239 -1.549 -8.496 1.00 0.00 H new ATOM 918 N ILE A 55 -3.039 -2.370 -0.963 1.00 0.00 N ATOM 919 CA ILE A 55 -2.971 -3.636 -0.252 1.00 0.00 C ATOM 920 C ILE A 55 -2.141 -4.630 -1.067 1.00 0.00 C ATOM 921 O ILE A 55 -2.222 -4.652 -2.295 1.00 0.00 O ATOM 922 CB ILE A 55 -4.377 -4.139 0.083 1.00 0.00 C ATOM 923 CG1 ILE A 55 -4.946 -3.406 1.300 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.386 -5.657 0.272 1.00 0.00 C ATOM 925 CD1 ILE A 55 -6.399 -3.810 1.553 1.00 0.00 C ATOM 0 H ILE A 55 -3.813 -2.292 -1.623 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.466 -3.508 0.706 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.030 -3.916 -0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.343 -3.632 2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.887 -2.329 1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.397 -5.988 0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.052 -6.140 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.715 -5.926 1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.779 -3.275 2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.003 -3.560 0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.452 -4.883 1.736 1.00 0.00 H new ATOM 937 N LYS A 56 -1.362 -5.427 -0.352 1.00 0.00 N ATOM 938 CA LYS A 56 -0.518 -6.421 -0.994 1.00 0.00 C ATOM 939 C LYS A 56 -0.820 -7.799 -0.403 1.00 0.00 C ATOM 940 O LYS A 56 -0.619 -8.026 0.789 1.00 0.00 O ATOM 941 CB LYS A 56 0.955 -6.018 -0.892 1.00 0.00 C ATOM 942 CG LYS A 56 1.715 -6.395 -2.166 1.00 0.00 C ATOM 943 CD LYS A 56 2.826 -5.385 -2.461 1.00 0.00 C ATOM 944 CE LYS A 56 3.102 -5.297 -3.963 1.00 0.00 C ATOM 945 NZ LYS A 56 4.308 -6.080 -4.314 1.00 0.00 N ATOM 0 H LYS A 56 -1.297 -5.405 0.666 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.738 -6.476 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.031 -4.944 -0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.412 -6.509 -0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.144 -7.391 -2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.023 -6.436 -3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.540 -4.404 -2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.736 -5.677 -1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.243 -5.672 -4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.240 -4.255 -4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.482 -6.010 -5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.128 -5.704 -3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.162 -7.077 -4.055 1.00 0.00 H new ATOM 959 N THR A 57 -1.299 -8.685 -1.264 1.00 0.00 N ATOM 960 CA THR A 57 -1.632 -10.035 -0.843 1.00 0.00 C ATOM 961 C THR A 57 -0.439 -10.969 -1.055 1.00 0.00 C ATOM 962 O THR A 57 0.233 -10.900 -2.084 1.00 0.00 O ATOM 963 CB THR A 57 -2.887 -10.471 -1.600 1.00 0.00 C ATOM 964 OG1 THR A 57 -3.784 -9.374 -1.448 1.00 0.00 O ATOM 965 CG2 THR A 57 -3.607 -11.637 -0.919 1.00 0.00 C ATOM 0 H THR A 57 -1.464 -8.494 -2.252 1.00 0.00 H new ATOM 0 HA THR A 57 -1.850 -10.074 0.224 1.00 0.00 H new ATOM 0 HB THR A 57 -2.616 -10.755 -2.617 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.119 -9.350 -0.527 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.491 -11.907 -1.497 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.936 -12.494 -0.860 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.908 -11.342 0.086 1.00 0.00 H new ATOM 973 N GLU A 58 -0.212 -11.821 -0.066 1.00 0.00 N ATOM 974 CA GLU A 58 0.889 -12.768 -0.132 1.00 0.00 C ATOM 975 C GLU A 58 0.469 -14.016 -0.911 1.00 0.00 C ATOM 976 O GLU A 58 -0.683 -14.135 -1.326 1.00 0.00 O ATOM 977 CB GLU A 58 1.380 -13.135 1.269 1.00 0.00 C ATOM 978 CG GLU A 58 2.416 -12.126 1.770 1.00 0.00 C ATOM 979 CD GLU A 58 3.643 -12.102 0.857 1.00 0.00 C ATOM 980 OE1 GLU A 58 4.345 -13.136 0.821 1.00 0.00 O ATOM 981 OE2 GLU A 58 3.853 -11.050 0.215 1.00 0.00 O ATOM 0 H GLU A 58 -0.771 -11.876 0.785 1.00 0.00 H new ATOM 0 HA GLU A 58 1.718 -12.296 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.535 -13.166 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.817 -14.133 1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.970 -11.132 1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.718 -12.383 2.785 1.00 0.00 H new ATOM 988 N TYR A 59 1.426 -14.916 -1.085 1.00 0.00 N ATOM 989 CA TYR A 59 1.170 -16.151 -1.806 1.00 0.00 C ATOM 990 C TYR A 59 0.782 -17.276 -0.846 1.00 0.00 C ATOM 991 O TYR A 59 1.583 -17.686 -0.007 1.00 0.00 O ATOM 992 CB TYR A 59 2.486 -16.516 -2.496 1.00 0.00 C ATOM 993 CG TYR A 59 2.686 -15.839 -3.853 1.00 0.00 C ATOM 994 CD1 TYR A 59 1.926 -16.228 -4.938 1.00 0.00 C ATOM 995 CD2 TYR A 59 3.627 -14.839 -3.993 1.00 0.00 C ATOM 996 CE1 TYR A 59 2.115 -15.590 -6.215 1.00 0.00 C ATOM 997 CE2 TYR A 59 3.815 -14.201 -5.270 1.00 0.00 C ATOM 998 CZ TYR A 59 3.050 -14.608 -6.318 1.00 0.00 C ATOM 999 OH TYR A 59 3.228 -14.006 -7.525 1.00 0.00 O ATOM 0 H TYR A 59 2.380 -14.814 -0.739 1.00 0.00 H new ATOM 0 HA TYR A 59 0.350 -16.021 -2.512 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.315 -16.246 -1.841 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.526 -17.597 -2.631 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.190 -17.011 -4.829 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.222 -14.535 -3.145 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.527 -15.885 -7.072 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.547 -13.417 -5.393 1.00 0.00 H new ATOM 0 HH TYR A 59 3.927 -13.323 -7.450 1.00 0.00 H new ATOM 1009 N GLY A 60 -0.448 -17.745 -1.000 1.00 0.00 N ATOM 1010 CA GLY A 60 -0.953 -18.815 -0.157 1.00 0.00 C ATOM 1011 C GLY A 60 -0.506 -18.626 1.294 1.00 0.00 C ATOM 1012 O GLY A 60 -0.032 -19.568 1.929 1.00 0.00 O ATOM 0 H GLY A 60 -1.110 -17.403 -1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.042 -18.839 -0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.596 -19.775 -0.529 1.00 0.00 H new ATOM 1016 N MET A 61 -0.673 -17.404 1.777 1.00 0.00 N ATOM 1017 CA MET A 61 -0.293 -17.080 3.142 1.00 0.00 C ATOM 1018 C MET A 61 -1.480 -16.509 3.921 1.00 0.00 C ATOM 1019 O MET A 61 -1.332 -16.099 5.071 1.00 0.00 O ATOM 1020 CB MET A 61 0.846 -16.059 3.126 1.00 0.00 C ATOM 1021 CG MET A 61 2.075 -16.619 2.407 1.00 0.00 C ATOM 1022 SD MET A 61 3.523 -16.426 3.432 1.00 0.00 S ATOM 1023 CE MET A 61 3.490 -14.659 3.686 1.00 0.00 C ATOM 0 H MET A 61 -1.066 -16.626 1.248 1.00 0.00 H new ATOM 0 HA MET A 61 0.034 -17.995 3.635 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.514 -15.147 2.630 1.00 0.00 H new ATOM 0 HB3 MET A 61 1.110 -15.788 4.148 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.922 -17.673 2.175 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.219 -16.101 1.459 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.815 -14.431 4.701 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.160 -14.176 2.974 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.475 -14.289 3.538 1.00 0.00 H new ATOM 1033 N GLN A 62 -2.630 -16.501 3.263 1.00 0.00 N ATOM 1034 CA GLN A 62 -3.841 -15.988 3.879 1.00 0.00 C ATOM 1035 C GLN A 62 -3.522 -14.760 4.735 1.00 0.00 C ATOM 1036 O GLN A 62 -3.805 -14.743 5.932 1.00 0.00 O ATOM 1037 CB GLN A 62 -4.535 -17.070 4.709 1.00 0.00 C ATOM 1038 CG GLN A 62 -4.799 -18.320 3.868 1.00 0.00 C ATOM 1039 CD GLN A 62 -5.217 -17.946 2.445 1.00 0.00 C ATOM 1040 OE1 GLN A 62 -4.427 -17.955 1.515 1.00 0.00 O ATOM 1041 NE2 GLN A 62 -6.501 -17.619 2.327 1.00 0.00 N ATOM 0 H GLN A 62 -2.748 -16.842 2.309 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.528 -15.687 3.088 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.915 -17.329 5.567 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.477 -16.685 5.101 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.901 -18.938 3.837 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.581 -18.918 4.335 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.108 -17.632 3.147 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.879 -17.355 1.417 1.00 0.00 H new ATOM 1050 N GLU A 63 -2.936 -13.763 4.089 1.00 0.00 N ATOM 1051 CA GLU A 63 -2.575 -12.535 4.776 1.00 0.00 C ATOM 1052 C GLU A 63 -2.286 -11.425 3.763 1.00 0.00 C ATOM 1053 O GLU A 63 -1.551 -11.636 2.799 1.00 0.00 O ATOM 1054 CB GLU A 63 -1.378 -12.757 5.703 1.00 0.00 C ATOM 1055 CG GLU A 63 -0.912 -11.437 6.321 1.00 0.00 C ATOM 1056 CD GLU A 63 0.496 -11.075 5.843 1.00 0.00 C ATOM 1057 OE1 GLU A 63 1.453 -11.643 6.413 1.00 0.00 O ATOM 1058 OE2 GLU A 63 0.584 -10.239 4.917 1.00 0.00 O ATOM 0 H GLU A 63 -2.702 -13.781 3.096 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.418 -12.226 5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.650 -13.457 6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.559 -13.210 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.607 -10.641 6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.922 -11.517 7.408 1.00 0.00 H new ATOM 1065 N SER A 64 -2.880 -10.268 4.016 1.00 0.00 N ATOM 1066 CA SER A 64 -2.695 -9.125 3.138 1.00 0.00 C ATOM 1067 C SER A 64 -2.412 -7.870 3.966 1.00 0.00 C ATOM 1068 O SER A 64 -3.065 -7.632 4.981 1.00 0.00 O ATOM 1069 CB SER A 64 -3.922 -8.909 2.249 1.00 0.00 C ATOM 1070 OG SER A 64 -4.129 -9.997 1.352 1.00 0.00 O ATOM 0 H SER A 64 -3.489 -10.098 4.816 1.00 0.00 H new ATOM 0 HA SER A 64 -1.842 -9.326 2.490 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.805 -8.782 2.875 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.800 -7.988 1.679 1.00 0.00 H new ATOM 0 HG SER A 64 -4.618 -10.711 1.811 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.439 -7.100 3.501 1.00 0.00 N ATOM 1077 CA LYS A 65 -1.062 -5.876 4.186 1.00 0.00 C ATOM 1078 C LYS A 65 -1.371 -4.677 3.286 1.00 0.00 C ATOM 1079 O LYS A 65 -1.411 -4.809 2.064 1.00 0.00 O ATOM 1080 CB LYS A 65 0.398 -5.944 4.640 1.00 0.00 C ATOM 1081 CG LYS A 65 1.322 -5.286 3.613 1.00 0.00 C ATOM 1082 CD LYS A 65 2.768 -5.262 4.114 1.00 0.00 C ATOM 1083 CE LYS A 65 3.104 -3.914 4.754 1.00 0.00 C ATOM 1084 NZ LYS A 65 2.735 -3.914 6.187 1.00 0.00 N ATOM 0 H LYS A 65 -0.901 -7.300 2.658 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.649 -5.752 5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.507 -5.447 5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.690 -6.984 4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.269 -5.829 2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.985 -4.269 3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.918 -6.061 4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.448 -5.454 3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.169 -3.709 4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.572 -3.116 4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.087 -3.123 6.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.266 -4.811 6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.592 -3.808 6.766 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.581 -3.536 3.926 1.00 0.00 N ATOM 1099 CA GLY A 66 -1.885 -2.316 3.199 1.00 0.00 C ATOM 1100 C GLY A 66 -1.805 -1.095 4.118 1.00 0.00 C ATOM 1101 O GLY A 66 -2.409 -1.080 5.189 1.00 0.00 O ATOM 0 H GLY A 66 -1.547 -3.431 4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.186 -2.198 2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.883 -2.385 2.767 1.00 0.00 H new ATOM 1105 N TYR A 67 -1.054 -0.102 3.666 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.887 1.120 4.434 1.00 0.00 C ATOM 1107 C TYR A 67 -2.082 2.056 4.242 1.00 0.00 C ATOM 1108 O TYR A 67 -2.510 2.299 3.114 1.00 0.00 O ATOM 1109 CB TYR A 67 0.370 1.796 3.883 1.00 0.00 C ATOM 1110 CG TYR A 67 1.677 1.227 4.438 1.00 0.00 C ATOM 1111 CD1 TYR A 67 2.235 0.099 3.870 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.299 1.841 5.505 1.00 0.00 C ATOM 1113 CE1 TYR A 67 3.465 -0.437 4.392 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.530 1.306 6.027 1.00 0.00 C ATOM 1115 CZ TYR A 67 4.052 0.193 5.445 1.00 0.00 C ATOM 1116 OH TYR A 67 5.214 -0.313 5.938 1.00 0.00 O ATOM 0 H TYR A 67 -0.554 -0.119 2.777 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.809 0.897 5.498 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.376 1.699 2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.325 2.862 4.108 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.749 -0.381 3.034 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.863 2.723 5.949 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.911 -1.319 3.957 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.027 1.778 6.862 1.00 0.00 H new ATOM 0 HH TYR A 67 5.032 -0.800 6.769 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.586 2.557 5.360 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.723 3.461 5.329 1.00 0.00 C ATOM 1128 C ALA A 68 -3.268 4.861 5.747 1.00 0.00 C ATOM 1129 O ALA A 68 -2.269 5.008 6.450 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.834 2.916 6.228 1.00 0.00 C ATOM 0 H ALA A 68 -2.228 2.354 6.293 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.128 3.534 4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.687 3.594 6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.142 1.933 5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.466 2.831 7.250 1.00 0.00 H new ATOM 1136 N LYS A 69 -4.022 5.853 5.298 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.709 7.235 5.617 1.00 0.00 C ATOM 1138 C LYS A 69 -4.894 7.866 6.350 1.00 0.00 C ATOM 1139 O LYS A 69 -5.962 8.050 5.768 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.290 7.994 4.357 1.00 0.00 C ATOM 1141 CG LYS A 69 -1.944 7.489 3.834 1.00 0.00 C ATOM 1142 CD LYS A 69 -1.689 7.982 2.408 1.00 0.00 C ATOM 1143 CE LYS A 69 -2.621 7.288 1.414 1.00 0.00 C ATOM 1144 NZ LYS A 69 -1.864 6.830 0.227 1.00 0.00 N ATOM 0 H LYS A 69 -4.850 5.727 4.715 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.854 7.286 6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.051 7.875 3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.222 9.060 4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.143 7.832 4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.928 6.399 3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.838 9.061 2.360 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.652 7.791 2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.106 6.438 1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.411 7.974 1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.508 6.346 -0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.435 7.649 -0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.116 6.172 0.525 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.667 8.181 7.617 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.703 8.788 8.435 1.00 0.00 C ATOM 1160 C LEU A 70 -5.475 10.300 8.500 1.00 0.00 C ATOM 1161 O LEU A 70 -4.394 10.753 8.873 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.763 8.116 9.808 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.559 8.858 10.884 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -7.930 9.285 10.355 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.671 8.020 12.159 1.00 0.00 C ATOM 0 H LEU A 70 -3.780 8.027 8.097 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.684 8.632 7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.194 7.122 9.686 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.743 7.979 10.168 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.017 9.767 11.144 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.475 9.810 11.139 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.800 9.946 9.498 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.493 8.403 10.050 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.241 8.570 12.907 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.178 7.082 11.934 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.674 7.810 12.545 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.512 11.038 8.131 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.439 12.489 8.142 1.00 0.00 C ATOM 1179 C TYR A 71 -7.373 13.077 9.202 1.00 0.00 C ATOM 1180 O TYR A 71 -8.336 12.431 9.613 1.00 0.00 O ATOM 1181 CB TYR A 71 -6.906 12.946 6.759 1.00 0.00 C ATOM 1182 CG TYR A 71 -5.879 12.716 5.648 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -5.699 11.451 5.126 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -5.132 13.772 5.169 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -4.733 11.234 4.081 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -4.165 13.556 4.124 1.00 0.00 C ATOM 1187 CZ TYR A 71 -4.014 12.297 3.631 1.00 0.00 C ATOM 1188 OH TYR A 71 -3.101 12.092 2.644 1.00 0.00 O ATOM 0 H TYR A 71 -7.407 10.658 7.823 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.426 12.820 8.372 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.825 12.419 6.505 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.149 14.008 6.801 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.283 10.624 5.502 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.272 14.762 5.578 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.583 10.249 3.664 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.574 14.374 3.741 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.663 12.940 2.422 1.00 0.00 H new ATOM 1198 N GLU A 72 -7.056 14.295 9.614 1.00 0.00 N ATOM 1199 CA GLU A 72 -7.855 14.977 10.618 1.00 0.00 C ATOM 1200 C GLU A 72 -9.010 15.730 9.956 1.00 0.00 C ATOM 1201 O GLU A 72 -10.027 15.999 10.594 1.00 0.00 O ATOM 1202 CB GLU A 72 -6.992 15.924 11.455 1.00 0.00 C ATOM 1203 CG GLU A 72 -6.161 15.148 12.479 1.00 0.00 C ATOM 1204 CD GLU A 72 -5.983 15.955 13.766 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -6.971 16.032 14.528 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -4.863 16.476 13.959 1.00 0.00 O ATOM 0 H GLU A 72 -6.257 14.828 9.271 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.273 14.228 11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.331 16.493 10.801 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.629 16.644 11.969 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.649 14.200 12.705 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.185 14.911 12.056 1.00 0.00 H new ATOM 1213 N ASP A 73 -8.815 16.049 8.685 1.00 0.00 N ATOM 1214 CA ASP A 73 -9.829 16.765 7.929 1.00 0.00 C ATOM 1215 C ASP A 73 -9.676 16.437 6.442 1.00 0.00 C ATOM 1216 O ASP A 73 -8.585 16.099 5.986 1.00 0.00 O ATOM 1217 CB ASP A 73 -9.675 18.278 8.098 1.00 0.00 C ATOM 1218 CG ASP A 73 -10.105 18.824 9.461 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -11.099 18.289 9.998 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -9.430 19.763 9.935 1.00 0.00 O ATOM 0 H ASP A 73 -7.970 15.825 8.159 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.807 16.458 8.300 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.631 18.543 7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.258 18.776 7.324 1.00 0.00 H new ATOM 1225 N ALA A 74 -10.787 16.549 5.728 1.00 0.00 N ATOM 1226 CA ALA A 74 -10.790 16.269 4.302 1.00 0.00 C ATOM 1227 C ALA A 74 -10.205 17.466 3.550 1.00 0.00 C ATOM 1228 O ALA A 74 -9.500 17.295 2.557 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.214 15.936 3.851 1.00 0.00 C ATOM 0 H ALA A 74 -11.690 16.829 6.110 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.166 15.403 4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.217 15.726 2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.572 15.061 4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.868 16.783 4.056 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.520 18.651 4.052 1.00 0.00 N ATOM 1236 CA ASP A 75 -10.034 19.876 3.440 1.00 0.00 C ATOM 1237 C ASP A 75 -8.527 19.760 3.203 1.00 0.00 C ATOM 1238 O ASP A 75 -8.012 20.253 2.201 1.00 0.00 O ATOM 1239 CB ASP A 75 -10.277 21.081 4.351 1.00 0.00 C ATOM 1240 CG ASP A 75 -10.752 22.347 3.635 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -11.028 22.243 2.420 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -10.827 23.391 4.318 1.00 0.00 O ATOM 0 H ASP A 75 -11.106 18.789 4.876 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.570 20.019 2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.018 20.806 5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.353 21.307 4.883 1.00 0.00 H new ATOM 1247 N ARG A 76 -7.861 19.104 4.143 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.423 18.917 4.049 1.00 0.00 C ATOM 1249 C ARG A 76 -6.094 17.852 3.001 1.00 0.00 C ATOM 1250 O ARG A 76 -5.225 18.056 2.155 1.00 0.00 O ATOM 1251 CB ARG A 76 -5.833 18.496 5.396 1.00 0.00 C ATOM 1252 CG ARG A 76 -4.982 19.617 5.996 1.00 0.00 C ATOM 1253 CD ARG A 76 -3.806 19.963 5.080 1.00 0.00 C ATOM 1254 NE ARG A 76 -2.792 20.739 5.828 1.00 0.00 N ATOM 1255 CZ ARG A 76 -1.524 20.901 5.427 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -1.106 20.341 4.284 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -0.674 21.622 6.171 1.00 0.00 N ATOM 0 H ARG A 76 -8.291 18.696 4.973 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.983 19.870 3.755 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.637 18.237 6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.224 17.601 5.267 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.598 20.502 6.153 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.609 19.312 6.973 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.360 19.050 4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.158 20.539 4.224 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.076 21.178 6.704 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.753 19.791 3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.141 20.464 3.979 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.993 22.047 7.042 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.292 21.746 5.866 1.00 0.00 H new ATOM 1271 N MET A 77 -6.806 16.738 3.092 1.00 0.00 N ATOM 1272 CA MET A 77 -6.600 15.640 2.163 1.00 0.00 C ATOM 1273 C MET A 77 -6.663 16.129 0.714 1.00 0.00 C ATOM 1274 O MET A 77 -5.937 15.631 -0.145 1.00 0.00 O ATOM 1275 CB MET A 77 -7.673 14.572 2.388 1.00 0.00 C ATOM 1276 CG MET A 77 -7.717 13.585 1.220 1.00 0.00 C ATOM 1277 SD MET A 77 -8.179 11.964 1.808 1.00 0.00 S ATOM 1278 CE MET A 77 -9.945 12.180 1.957 1.00 0.00 C ATOM 0 H MET A 77 -7.526 16.572 3.795 1.00 0.00 H new ATOM 0 HA MET A 77 -5.611 15.218 2.342 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.469 14.036 3.315 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.647 15.048 2.503 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.432 13.927 0.471 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.742 13.540 0.734 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.454 11.299 1.566 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.208 12.315 3.006 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.253 13.058 1.390 1.00 0.00 H new ATOM 1288 N LYS A 78 -7.537 17.099 0.488 1.00 0.00 N ATOM 1289 CA LYS A 78 -7.703 17.660 -0.842 1.00 0.00 C ATOM 1290 C LYS A 78 -6.462 18.478 -1.205 1.00 0.00 C ATOM 1291 O LYS A 78 -5.799 18.196 -2.201 1.00 0.00 O ATOM 1292 CB LYS A 78 -9.009 18.454 -0.928 1.00 0.00 C ATOM 1293 CG LYS A 78 -10.200 17.600 -0.488 1.00 0.00 C ATOM 1294 CD LYS A 78 -11.464 17.984 -1.258 1.00 0.00 C ATOM 1295 CE LYS A 78 -12.303 18.991 -0.469 1.00 0.00 C ATOM 1296 NZ LYS A 78 -13.729 18.891 -0.852 1.00 0.00 N ATOM 0 H LYS A 78 -8.137 17.510 1.203 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.789 16.865 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.941 19.342 -0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.162 18.799 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.976 16.546 -0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.368 17.728 0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.191 18.410 -2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.056 17.091 -1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.194 18.806 0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.940 20.002 -0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.284 19.581 -0.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.830 19.090 -1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.076 17.932 -0.651 1.00 0.00 H new ATOM 1310 N GLN A 79 -6.185 19.474 -0.376 1.00 0.00 N ATOM 1311 CA GLN A 79 -5.035 20.333 -0.597 1.00 0.00 C ATOM 1312 C GLN A 79 -3.757 19.498 -0.686 1.00 0.00 C ATOM 1313 O GLN A 79 -2.891 19.767 -1.517 1.00 0.00 O ATOM 1314 CB GLN A 79 -4.923 21.392 0.501 1.00 0.00 C ATOM 1315 CG GLN A 79 -5.600 22.697 0.077 1.00 0.00 C ATOM 1316 CD GLN A 79 -4.994 23.894 0.812 1.00 0.00 C ATOM 1317 OE1 GLN A 79 -4.448 24.809 0.217 1.00 0.00 O ATOM 1318 NE2 GLN A 79 -5.119 23.837 2.135 1.00 0.00 N ATOM 0 H GLN A 79 -6.738 19.705 0.450 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.172 20.853 -1.545 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.383 21.021 1.417 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.873 21.579 0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.492 22.834 -0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.668 22.641 0.285 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.588 23.042 2.569 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.746 24.588 2.715 1.00 0.00 H new ATOM 1327 N VAL A 80 -3.679 18.499 0.182 1.00 0.00 N ATOM 1328 CA VAL A 80 -2.521 17.622 0.212 1.00 0.00 C ATOM 1329 C VAL A 80 -2.382 16.921 -1.140 1.00 0.00 C ATOM 1330 O VAL A 80 -1.297 16.887 -1.718 1.00 0.00 O ATOM 1331 CB VAL A 80 -2.635 16.645 1.384 1.00 0.00 C ATOM 1332 CG1 VAL A 80 -1.443 15.687 1.416 1.00 0.00 C ATOM 1333 CG2 VAL A 80 -2.774 17.393 2.711 1.00 0.00 C ATOM 0 H VAL A 80 -4.399 18.278 0.870 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.610 18.198 0.374 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.538 16.052 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.548 15.003 2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.409 15.117 0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.521 16.257 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.853 16.675 3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.899 18.024 2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.669 18.014 2.686 1.00 0.00 H new ATOM 1343 N GLU A 81 -3.497 16.378 -1.606 1.00 0.00 N ATOM 1344 CA GLU A 81 -3.514 15.680 -2.880 1.00 0.00 C ATOM 1345 C GLU A 81 -3.491 16.682 -4.036 1.00 0.00 C ATOM 1346 O GLU A 81 -3.375 16.294 -5.197 1.00 0.00 O ATOM 1347 CB GLU A 81 -4.728 14.754 -2.982 1.00 0.00 C ATOM 1348 CG GLU A 81 -4.308 13.344 -3.404 1.00 0.00 C ATOM 1349 CD GLU A 81 -3.821 13.329 -4.855 1.00 0.00 C ATOM 1350 OE1 GLU A 81 -4.691 13.201 -5.744 1.00 0.00 O ATOM 1351 OE2 GLU A 81 -2.591 13.445 -5.042 1.00 0.00 O ATOM 0 H GLU A 81 -4.395 16.407 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.619 15.061 -2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.240 14.712 -2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.438 15.157 -3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.516 12.984 -2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.150 12.661 -3.292 1.00 0.00 H new ATOM 1358 N GLN A 82 -3.604 17.953 -3.677 1.00 0.00 N ATOM 1359 CA GLN A 82 -3.597 19.014 -4.670 1.00 0.00 C ATOM 1360 C GLN A 82 -2.177 19.548 -4.867 1.00 0.00 C ATOM 1361 O GLN A 82 -1.948 20.420 -5.704 1.00 0.00 O ATOM 1362 CB GLN A 82 -4.556 20.139 -4.276 1.00 0.00 C ATOM 1363 CG GLN A 82 -5.008 20.930 -5.505 1.00 0.00 C ATOM 1364 CD GLN A 82 -4.867 22.436 -5.270 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -3.949 22.905 -4.617 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -5.825 23.163 -5.837 1.00 0.00 N ATOM 0 H GLN A 82 -3.701 18.271 -2.713 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.943 18.601 -5.617 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.425 19.720 -3.769 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.066 20.808 -3.568 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.414 20.636 -6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.046 20.690 -5.735 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.564 22.705 -6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -5.821 24.178 -5.739 1.00 0.00 H new ATOM 1375 N GLU A 83 -1.259 19.001 -4.082 1.00 0.00 N ATOM 1376 CA GLU A 83 0.132 19.412 -4.160 1.00 0.00 C ATOM 1377 C GLU A 83 0.811 18.759 -5.366 1.00 0.00 C ATOM 1378 O GLU A 83 1.726 19.334 -5.954 1.00 0.00 O ATOM 1379 CB GLU A 83 0.875 19.078 -2.865 1.00 0.00 C ATOM 1380 CG GLU A 83 0.120 19.612 -1.646 1.00 0.00 C ATOM 1381 CD GLU A 83 1.024 20.498 -0.786 1.00 0.00 C ATOM 1382 OE1 GLU A 83 1.979 19.939 -0.205 1.00 0.00 O ATOM 1383 OE2 GLU A 83 0.739 21.714 -0.729 1.00 0.00 O ATOM 0 H GLU A 83 -1.452 18.277 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 83 0.165 20.494 -4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.995 17.998 -2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.876 19.508 -2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.749 20.182 -1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.252 18.778 -1.050 1.00 0.00 H new ATOM 1390 N TYR A 84 0.338 17.567 -5.698 1.00 0.00 N ATOM 1391 CA TYR A 84 0.888 16.830 -6.823 1.00 0.00 C ATOM 1392 C TYR A 84 0.110 17.127 -8.106 1.00 0.00 C ATOM 1393 O TYR A 84 0.087 16.310 -9.025 1.00 0.00 O ATOM 1394 CB TYR A 84 0.728 15.348 -6.475 1.00 0.00 C ATOM 1395 CG TYR A 84 2.029 14.547 -6.553 1.00 0.00 C ATOM 1396 CD1 TYR A 84 2.895 14.530 -5.479 1.00 0.00 C ATOM 1397 CD2 TYR A 84 2.337 13.840 -7.698 1.00 0.00 C ATOM 1398 CE1 TYR A 84 4.119 13.776 -5.552 1.00 0.00 C ATOM 1399 CE2 TYR A 84 3.561 13.086 -7.772 1.00 0.00 C ATOM 1400 CZ TYR A 84 4.392 13.091 -6.695 1.00 0.00 C ATOM 1401 OH TYR A 84 5.548 12.378 -6.765 1.00 0.00 O ATOM 0 H TYR A 84 -0.420 17.093 -5.207 1.00 0.00 H new ATOM 0 HA TYR A 84 1.928 17.110 -6.994 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.321 15.264 -5.467 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.002 14.903 -7.151 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.654 15.083 -4.583 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.659 13.853 -8.539 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.805 13.755 -4.718 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.814 12.529 -8.662 1.00 0.00 H new ATOM 0 HH TYR A 84 5.609 11.939 -7.639 1.00 0.00 H new ATOM 1411 N VAL A 85 -0.507 18.299 -8.128 1.00 0.00 N ATOM 1412 CA VAL A 85 -1.284 18.714 -9.283 1.00 0.00 C ATOM 1413 C VAL A 85 -0.636 19.950 -9.911 1.00 0.00 C ATOM 1414 O VAL A 85 -1.126 20.472 -10.911 1.00 0.00 O ATOM 1415 CB VAL A 85 -2.742 18.944 -8.879 1.00 0.00 C ATOM 1416 CG1 VAL A 85 -3.606 19.264 -10.100 1.00 0.00 C ATOM 1417 CG2 VAL A 85 -3.296 17.740 -8.115 1.00 0.00 C ATOM 0 H VAL A 85 -0.485 18.974 -7.364 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.291 17.930 -10.040 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.772 19.806 -8.213 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.637 19.423 -9.784 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.232 20.166 -10.584 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.566 18.432 -10.802 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.333 17.930 -7.840 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.244 16.853 -8.747 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.705 17.578 -7.213 1.00 0.00 H new ATOM 1427 N LEU A 86 0.457 20.381 -9.298 1.00 0.00 N ATOM 1428 CA LEU A 86 1.177 21.546 -9.784 1.00 0.00 C ATOM 1429 C LEU A 86 2.648 21.179 -9.993 1.00 0.00 C ATOM 1430 O LEU A 86 3.491 21.476 -9.148 1.00 0.00 O ATOM 1431 CB LEU A 86 0.967 22.736 -8.846 1.00 0.00 C ATOM 1432 CG LEU A 86 1.359 22.515 -7.384 1.00 0.00 C ATOM 1433 CD1 LEU A 86 2.114 23.725 -6.830 1.00 0.00 C ATOM 1434 CD2 LEU A 86 0.135 22.166 -6.535 1.00 0.00 C ATOM 0 H LEU A 86 0.861 19.945 -8.469 1.00 0.00 H new ATOM 0 HA LEU A 86 0.785 21.860 -10.751 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.538 23.581 -9.231 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.085 23.019 -8.881 1.00 0.00 H new ATOM 0 HG LEU A 86 2.037 21.663 -7.337 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.381 23.542 -5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.020 23.887 -7.414 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.480 24.609 -6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.441 22.014 -5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.586 22.982 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.323 21.253 -6.915 1.00 0.00 H new ATOM 1446 N LYS A 87 2.911 20.540 -11.123 1.00 0.00 N ATOM 1447 CA LYS A 87 4.265 20.130 -11.454 1.00 0.00 C ATOM 1448 C LYS A 87 4.617 20.631 -12.856 1.00 0.00 C ATOM 1449 O LYS A 87 3.749 20.718 -13.724 1.00 0.00 O ATOM 1450 CB LYS A 87 4.424 18.618 -11.283 1.00 0.00 C ATOM 1451 CG LYS A 87 3.443 17.859 -12.179 1.00 0.00 C ATOM 1452 CD LYS A 87 3.952 16.447 -12.476 1.00 0.00 C ATOM 1453 CE LYS A 87 3.796 16.108 -13.960 1.00 0.00 C ATOM 1454 NZ LYS A 87 2.957 14.900 -14.130 1.00 0.00 N ATOM 0 H LYS A 87 2.209 20.296 -11.821 1.00 0.00 H new ATOM 0 HA LYS A 87 4.979 20.582 -10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.445 18.326 -11.527 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.255 18.346 -10.241 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.469 17.804 -11.693 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.303 18.403 -13.113 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.001 16.367 -12.189 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.401 15.724 -11.874 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.344 16.949 -14.486 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.777 15.943 -14.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.861 14.684 -15.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.404 14.096 -13.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.016 15.071 -13.722 1.00 0.00 H new ATOM 1468 N ARG A 88 5.891 20.947 -13.034 1.00 0.00 N ATOM 1469 CA ARG A 88 6.368 21.437 -14.316 1.00 0.00 C ATOM 1470 C ARG A 88 7.363 20.448 -14.926 1.00 0.00 C ATOM 1471 O ARG A 88 7.771 19.489 -14.271 1.00 0.00 O ATOM 1472 CB ARG A 88 7.043 22.802 -14.168 1.00 0.00 C ATOM 1473 CG ARG A 88 7.081 23.544 -15.505 1.00 0.00 C ATOM 1474 CD ARG A 88 6.831 25.041 -15.309 1.00 0.00 C ATOM 1475 NE ARG A 88 5.463 25.261 -14.788 1.00 0.00 N ATOM 1476 CZ ARG A 88 4.849 26.452 -14.771 1.00 0.00 C ATOM 1477 NH1 ARG A 88 5.476 27.537 -15.246 1.00 0.00 N ATOM 1478 NH2 ARG A 88 3.607 26.558 -14.278 1.00 0.00 N ATOM 0 H ARG A 88 6.608 20.873 -12.312 1.00 0.00 H new ATOM 0 HA ARG A 88 5.504 21.541 -14.973 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.505 23.399 -13.432 1.00 0.00 H new ATOM 0 HB3 ARG A 88 8.058 22.671 -13.792 1.00 0.00 H new ATOM 0 HG2 ARG A 88 8.050 23.393 -15.981 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.328 23.131 -16.176 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.564 25.453 -14.615 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.958 25.566 -16.256 1.00 0.00 H new ATOM 0 HE ARG A 88 4.956 24.456 -14.419 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.421 27.457 -15.621 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.008 28.443 -15.233 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.130 25.732 -13.916 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.139 27.464 -14.265 1.00 0.00 H new ATOM 1492 N ASN A 89 7.726 20.714 -16.172 1.00 0.00 N ATOM 1493 CA ASN A 89 8.665 19.858 -16.877 1.00 0.00 C ATOM 1494 C ASN A 89 9.228 20.612 -18.084 1.00 0.00 C ATOM 1495 O ASN A 89 9.401 20.033 -19.155 1.00 0.00 O ATOM 1496 CB ASN A 89 7.979 18.591 -17.389 1.00 0.00 C ATOM 1497 CG ASN A 89 7.095 17.970 -16.305 1.00 0.00 C ATOM 1498 OD1 ASN A 89 7.558 17.286 -15.407 1.00 0.00 O ATOM 1499 ND2 ASN A 89 5.801 18.244 -16.439 1.00 0.00 N ATOM 0 H ASN A 89 7.387 21.510 -16.712 1.00 0.00 H new ATOM 0 HA ASN A 89 9.457 19.582 -16.181 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.374 18.829 -18.264 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.731 17.869 -17.708 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.129 17.875 -15.766 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.480 18.824 -17.215 1.00 0.00 H new ATOM 1506 N ALA A 90 9.497 21.891 -17.869 1.00 0.00 N ATOM 1507 CA ALA A 90 10.036 22.730 -18.926 1.00 0.00 C ATOM 1508 C ALA A 90 10.598 24.015 -18.315 1.00 0.00 C ATOM 1509 O ALA A 90 10.181 24.427 -17.234 1.00 0.00 O ATOM 1510 CB ALA A 90 8.947 23.006 -19.965 1.00 0.00 C ATOM 0 H ALA A 90 9.352 22.367 -16.979 1.00 0.00 H new ATOM 0 HA ALA A 90 10.854 22.223 -19.438 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.352 23.635 -20.758 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.603 22.063 -20.390 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.110 23.516 -19.488 1.00 0.00 H new ATOM 1516 N VAL A 91 11.536 24.613 -19.034 1.00 0.00 N ATOM 1517 CA VAL A 91 12.160 25.843 -18.576 1.00 0.00 C ATOM 1518 C VAL A 91 11.080 26.903 -18.349 1.00 0.00 C ATOM 1519 O VAL A 91 10.115 26.984 -19.107 1.00 0.00 O ATOM 1520 CB VAL A 91 13.234 26.288 -19.571 1.00 0.00 C ATOM 1521 CG1 VAL A 91 12.619 27.091 -20.720 1.00 0.00 C ATOM 1522 CG2 VAL A 91 14.333 27.088 -18.870 1.00 0.00 C ATOM 0 H VAL A 91 11.879 24.269 -19.931 1.00 0.00 H new ATOM 0 HA VAL A 91 12.665 25.683 -17.623 1.00 0.00 H new ATOM 0 HB VAL A 91 13.689 25.393 -19.994 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.404 27.395 -21.413 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.890 26.474 -21.246 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.124 27.977 -20.321 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.083 27.392 -19.600 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.899 27.973 -18.406 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.801 26.469 -18.104 1.00 0.00 H new ATOM 1532 N PRO A 92 11.285 27.711 -17.274 1.00 0.00 N ATOM 1533 CA PRO A 92 10.340 28.762 -16.937 1.00 0.00 C ATOM 1534 C PRO A 92 10.473 29.947 -17.896 1.00 0.00 C ATOM 1535 O PRO A 92 11.052 29.816 -18.974 1.00 0.00 O ATOM 1536 CB PRO A 92 10.655 29.127 -15.496 1.00 0.00 C ATOM 1537 CG PRO A 92 12.055 28.600 -15.229 1.00 0.00 C ATOM 1538 CD PRO A 92 12.416 27.645 -16.354 1.00 0.00 C ATOM 0 HA PRO A 92 9.303 28.442 -17.035 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.609 30.206 -15.347 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.933 28.680 -14.813 1.00 0.00 H new ATOM 0 HG2 PRO A 92 12.770 29.422 -15.182 1.00 0.00 H new ATOM 0 HG3 PRO A 92 12.093 28.089 -14.267 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.343 27.943 -16.844 1.00 0.00 H new ATOM 0 HD3 PRO A 92 12.564 26.632 -15.981 1.00 0.00 H new ATOM 1546 N GLY A 93 9.929 31.077 -17.470 1.00 0.00 N ATOM 1547 CA GLY A 93 9.979 32.284 -18.277 1.00 0.00 C ATOM 1548 C GLY A 93 11.390 32.878 -18.288 1.00 0.00 C ATOM 1549 O GLY A 93 12.358 32.180 -18.586 1.00 0.00 O ATOM 0 H GLY A 93 9.451 31.182 -16.575 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.668 32.057 -19.297 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.275 33.018 -17.885 1.00 0.00 H new ATOM 1553 N SER A 94 11.460 34.159 -17.958 1.00 0.00 N ATOM 1554 CA SER A 94 12.736 34.854 -17.926 1.00 0.00 C ATOM 1555 C SER A 94 12.755 35.858 -16.771 1.00 0.00 C ATOM 1556 O SER A 94 12.301 35.551 -15.670 1.00 0.00 O ATOM 1557 CB SER A 94 13.008 35.566 -19.253 1.00 0.00 C ATOM 1558 OG SER A 94 14.290 36.188 -19.271 1.00 0.00 O ATOM 0 H SER A 94 10.655 34.734 -17.711 1.00 0.00 H new ATOM 0 HA SER A 94 13.524 34.117 -17.772 1.00 0.00 H new ATOM 0 HB2 SER A 94 12.942 34.848 -20.070 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.238 36.318 -19.426 1.00 0.00 H new ATOM 0 HG SER A 94 14.228 37.051 -19.731 1.00 0.00 H new ATOM 1564 N GLU A 95 13.287 37.036 -17.062 1.00 0.00 N ATOM 1565 CA GLU A 95 13.372 38.086 -16.062 1.00 0.00 C ATOM 1566 C GLU A 95 13.767 39.412 -16.716 1.00 0.00 C ATOM 1567 O GLU A 95 14.653 39.447 -17.568 1.00 0.00 O ATOM 1568 CB GLU A 95 14.354 37.708 -14.952 1.00 0.00 C ATOM 1569 CG GLU A 95 13.981 38.389 -13.633 1.00 0.00 C ATOM 1570 CD GLU A 95 15.132 38.306 -12.628 1.00 0.00 C ATOM 1571 OE1 GLU A 95 15.636 37.178 -12.436 1.00 0.00 O ATOM 1572 OE2 GLU A 95 15.481 39.371 -12.076 1.00 0.00 O ATOM 0 H GLU A 95 13.663 37.286 -17.976 1.00 0.00 H new ATOM 0 HA GLU A 95 12.389 38.207 -15.606 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.358 36.626 -14.818 1.00 0.00 H new ATOM 0 HB3 GLU A 95 15.364 37.997 -15.242 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.729 39.433 -13.817 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.093 37.916 -13.214 1.00 0.00 H new ATOM 1579 N THR A 96 13.092 40.469 -16.291 1.00 0.00 N ATOM 1580 CA THR A 96 13.362 41.793 -16.825 1.00 0.00 C ATOM 1581 C THR A 96 12.434 42.827 -16.182 1.00 0.00 C ATOM 1582 O THR A 96 11.226 42.612 -16.094 1.00 0.00 O ATOM 1583 CB THR A 96 13.232 41.725 -18.348 1.00 0.00 C ATOM 1584 OG1 THR A 96 13.077 43.085 -18.745 1.00 0.00 O ATOM 1585 CG2 THR A 96 11.931 41.055 -18.795 1.00 0.00 C ATOM 0 H THR A 96 12.359 40.436 -15.583 1.00 0.00 H new ATOM 0 HA THR A 96 14.375 42.117 -16.585 1.00 0.00 H new ATOM 0 HB THR A 96 14.081 41.180 -18.761 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.987 43.133 -19.720 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.889 41.033 -19.884 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.895 40.036 -18.409 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.081 41.618 -18.411 1.00 0.00 H new ATOM 1593 N GLU A 97 13.034 43.926 -15.750 1.00 0.00 N ATOM 1594 CA GLU A 97 12.277 44.993 -15.118 1.00 0.00 C ATOM 1595 C GLU A 97 13.036 46.317 -15.225 1.00 0.00 C ATOM 1596 O GLU A 97 14.264 46.340 -15.158 1.00 0.00 O ATOM 1597 CB GLU A 97 11.967 44.655 -13.658 1.00 0.00 C ATOM 1598 CG GLU A 97 10.478 44.356 -13.469 1.00 0.00 C ATOM 1599 CD GLU A 97 9.979 44.887 -12.124 1.00 0.00 C ATOM 1600 OE1 GLU A 97 10.345 44.271 -11.100 1.00 0.00 O ATOM 1601 OE2 GLU A 97 9.243 45.897 -12.150 1.00 0.00 O ATOM 0 H GLU A 97 14.036 44.101 -15.825 1.00 0.00 H new ATOM 0 HA GLU A 97 11.327 45.098 -15.642 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.557 43.793 -13.347 1.00 0.00 H new ATOM 0 HB3 GLU A 97 12.258 45.488 -13.018 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.907 44.811 -14.278 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.309 43.281 -13.525 1.00 0.00 H new ATOM 1608 N GLY A 98 12.273 47.388 -15.389 1.00 0.00 N ATOM 1609 CA GLY A 98 12.858 48.713 -15.506 1.00 0.00 C ATOM 1610 C GLY A 98 11.934 49.654 -16.281 1.00 0.00 C ATOM 1611 O GLY A 98 11.152 49.209 -17.120 1.00 0.00 O ATOM 0 H GLY A 98 11.255 47.365 -15.444 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.047 49.120 -14.513 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.821 48.646 -16.012 1.00 0.00 H new ATOM 1615 N GLU A 99 12.055 50.937 -15.973 1.00 0.00 N ATOM 1616 CA GLU A 99 11.240 51.944 -16.631 1.00 0.00 C ATOM 1617 C GLU A 99 12.083 53.179 -16.955 1.00 0.00 C ATOM 1618 O GLU A 99 13.288 53.073 -17.174 1.00 0.00 O ATOM 1619 CB GLU A 99 10.030 52.316 -15.772 1.00 0.00 C ATOM 1620 CG GLU A 99 8.785 52.520 -16.638 1.00 0.00 C ATOM 1621 CD GLU A 99 7.614 53.041 -15.802 1.00 0.00 C ATOM 1622 OE1 GLU A 99 7.770 54.141 -15.230 1.00 0.00 O ATOM 1623 OE2 GLU A 99 6.590 52.326 -15.754 1.00 0.00 O ATOM 0 H GLU A 99 12.705 51.302 -15.277 1.00 0.00 H new ATOM 0 HA GLU A 99 10.866 51.528 -17.566 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.844 51.530 -15.040 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.242 53.228 -15.214 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.007 53.225 -17.439 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.508 51.578 -17.111 1.00 0.00 H new ATOM 1630 N GLU A 100 11.415 54.324 -16.975 1.00 0.00 N ATOM 1631 CA GLU A 100 12.087 55.578 -17.269 1.00 0.00 C ATOM 1632 C GLU A 100 11.074 56.722 -17.327 1.00 0.00 C ATOM 1633 O GLU A 100 9.893 56.498 -17.591 1.00 0.00 O ATOM 1634 CB GLU A 100 12.882 55.481 -18.572 1.00 0.00 C ATOM 1635 CG GLU A 100 14.304 56.013 -18.388 1.00 0.00 C ATOM 1636 CD GLU A 100 14.952 56.325 -19.739 1.00 0.00 C ATOM 1637 OE1 GLU A 100 14.575 57.363 -20.323 1.00 0.00 O ATOM 1638 OE2 GLU A 100 15.811 55.518 -20.156 1.00 0.00 O ATOM 0 H GLU A 100 10.415 54.409 -16.792 1.00 0.00 H new ATOM 0 HA GLU A 100 12.794 55.786 -16.466 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.918 54.443 -18.903 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.376 56.048 -19.354 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.283 56.914 -17.774 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.905 55.277 -17.854 1.00 0.00 H new ATOM 1645 N ALA A 101 11.571 57.924 -17.077 1.00 0.00 N ATOM 1646 CA ALA A 101 10.724 59.104 -17.098 1.00 0.00 C ATOM 1647 C ALA A 101 11.499 60.294 -16.529 1.00 0.00 C ATOM 1648 O ALA A 101 11.696 60.390 -15.318 1.00 0.00 O ATOM 1649 CB ALA A 101 9.436 58.823 -16.321 1.00 0.00 C ATOM 0 H ALA A 101 12.551 58.106 -16.859 1.00 0.00 H new ATOM 0 HA ALA A 101 10.440 59.353 -18.121 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.801 59.709 -16.337 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.907 57.989 -16.782 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.681 58.571 -15.289 1.00 0.00 H new TER 1655 ALA A 101