USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 744 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 9 SER OG : rot 133:sc= 1.57 USER MOD Set 1.2: A 51 ASN : amide:sc= 0.186 K(o=1.8,f=1.1) USER MOD Set 2.1: A 10 HIS :FLIP no HD1:sc= -2.91! C(o=-7.9!,f=-4.4!) USER MOD Set 2.2: A 45 SER OG : rot -40:sc= -1.49 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.101 (180deg=0) USER MOD Single : A 3 SER OG : rot 60:sc= 0.0144 USER MOD Single : A 4 ASN : amide:sc= -0.0618 X(o=-0.062,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -110:sc= 0.713 (180deg=-0.483) USER MOD Single : A 8 CYS SG : rot -133:sc= -3.08! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -20:sc= 0.144 USER MOD Single : A 23 MET CE :methyl -140:sc= -2.25 (180deg=-4.37!) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0352) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -106:sc= 0.766 (180deg=-0.0527) USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0118) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0325 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.196 F(o=-0.96,f=-0.2) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.24 K(o=-0.24,f=-4.4!) USER MOD Single : A 77 SER OG : rot -100:sc= -2.45! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -150:sc= -0.407 USER MOD Single : A 86 TYR OH : rot 165:sc= -0.705 USER MOD Single : A 87 HIS : no HE2:sc= -6.92! C(o=-6.9!,f=-8.1!) USER MOD Single : A 90 LYS NZ :NH3+ -176:sc= -0.0954 (180deg=-0.113) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.363 -1.761 -2.907 1.00 72.41 N ATOM 2 CA GLY A 1 0.358 -1.330 -4.292 1.00 61.22 C ATOM 3 C GLY A 1 0.929 0.062 -4.469 1.00 44.20 C ATOM 4 O GLY A 1 1.269 0.744 -3.501 1.00 54.43 O ATOM 0 H1 GLY A 1 0.924 -2.632 -2.816 1.00 72.41 H new ATOM 0 H2 GLY A 1 0.781 -1.016 -2.313 1.00 72.41 H new ATOM 0 H3 GLY A 1 -0.613 -1.944 -2.597 1.00 72.41 H new ATOM 0 HA2 GLY A 1 0.935 -2.035 -4.890 1.00 61.22 H new ATOM 0 HA3 GLY A 1 -0.663 -1.351 -4.672 1.00 61.22 H new ATOM 8 N PRO A 2 1.044 0.504 -5.730 1.00 64.11 N ATOM 9 CA PRO A 2 1.580 1.828 -6.060 1.00 35.25 C ATOM 10 C PRO A 2 0.637 2.954 -5.648 1.00 34.44 C ATOM 11 O PRO A 2 -0.447 3.105 -6.211 1.00 42.51 O ATOM 12 CB PRO A 2 1.726 1.783 -7.583 1.00 54.11 C ATOM 13 CG PRO A 2 0.728 0.771 -8.029 1.00 72.11 C ATOM 14 CD PRO A 2 0.660 -0.256 -6.932 1.00 14.25 C ATOM 0 HA PRO A 2 2.513 2.032 -5.535 1.00 35.25 H new ATOM 0 HB2 PRO A 2 1.528 2.758 -8.029 1.00 54.11 H new ATOM 0 HB3 PRO A 2 2.737 1.498 -7.876 1.00 54.11 H new ATOM 0 HG2 PRO A 2 -0.247 1.231 -8.194 1.00 72.11 H new ATOM 0 HG3 PRO A 2 1.029 0.315 -8.972 1.00 72.11 H new ATOM 0 HD2 PRO A 2 -0.341 -0.678 -6.838 1.00 14.25 H new ATOM 0 HD3 PRO A 2 1.341 -1.087 -7.117 1.00 14.25 H new ATOM 22 N SER A 3 1.057 3.740 -4.663 1.00 40.30 N ATOM 23 CA SER A 3 0.248 4.851 -4.174 1.00 20.35 C ATOM 24 C SER A 3 0.609 6.146 -4.896 1.00 74.34 C ATOM 25 O SER A 3 1.192 7.056 -4.309 1.00 33.42 O ATOM 26 CB SER A 3 0.441 5.025 -2.666 1.00 31.42 C ATOM 27 OG SER A 3 1.809 4.915 -2.310 1.00 53.14 O ATOM 0 H SER A 3 1.952 3.629 -4.187 1.00 40.30 H new ATOM 0 HA SER A 3 -0.798 4.622 -4.376 1.00 20.35 H new ATOM 0 HB2 SER A 3 0.059 5.998 -2.357 1.00 31.42 H new ATOM 0 HB3 SER A 3 -0.138 4.271 -2.133 1.00 31.42 H new ATOM 0 HG SER A 3 2.325 5.605 -2.777 1.00 53.14 H new ATOM 33 N ASN A 4 0.256 6.219 -6.175 1.00 11.31 N ATOM 34 CA ASN A 4 0.541 7.401 -6.979 1.00 42.44 C ATOM 35 C ASN A 4 -0.687 8.300 -7.083 1.00 1.54 C ATOM 36 O ASN A 4 -0.584 9.524 -7.001 1.00 43.51 O ATOM 37 CB ASN A 4 1.007 6.992 -8.379 1.00 53.30 C ATOM 38 CG ASN A 4 2.494 6.700 -8.431 1.00 20.12 C ATOM 39 OD1 ASN A 4 3.318 7.614 -8.424 1.00 61.11 O ATOM 40 ND2 ASN A 4 2.843 5.420 -8.484 1.00 63.34 N ATOM 0 H ASN A 4 -0.228 5.474 -6.676 1.00 11.31 H new ATOM 0 HA ASN A 4 1.337 7.960 -6.486 1.00 42.44 H new ATOM 0 HB2 ASN A 4 0.455 6.109 -8.699 1.00 53.30 H new ATOM 0 HB3 ASN A 4 0.771 7.789 -9.085 1.00 53.30 H new ATOM 0 HD21 ASN A 4 3.829 5.161 -8.521 1.00 63.34 H new ATOM 0 HD22 ASN A 4 2.125 4.695 -8.488 1.00 63.34 H new ATOM 47 N LYS A 5 -1.851 7.684 -7.262 1.00 71.14 N ATOM 48 CA LYS A 5 -3.101 8.425 -7.375 1.00 4.33 C ATOM 49 C LYS A 5 -4.100 7.970 -6.316 1.00 51.52 C ATOM 50 O LYS A 5 -3.957 6.894 -5.734 1.00 44.24 O ATOM 51 CB LYS A 5 -3.702 8.243 -8.770 1.00 51.53 C ATOM 52 CG LYS A 5 -3.302 6.940 -9.439 1.00 51.24 C ATOM 53 CD LYS A 5 -3.940 6.799 -10.812 1.00 22.44 C ATOM 54 CE LYS A 5 -3.232 7.659 -11.847 1.00 73.40 C ATOM 55 NZ LYS A 5 -3.348 7.085 -13.217 1.00 61.10 N ATOM 0 H LYS A 5 -1.954 6.672 -7.332 1.00 71.14 H new ATOM 0 HA LYS A 5 -2.884 9.481 -7.215 1.00 4.33 H new ATOM 0 HB2 LYS A 5 -4.789 8.285 -8.697 1.00 51.53 H new ATOM 0 HB3 LYS A 5 -3.392 9.076 -9.401 1.00 51.53 H new ATOM 0 HG2 LYS A 5 -2.217 6.897 -9.535 1.00 51.24 H new ATOM 0 HG3 LYS A 5 -3.600 6.101 -8.810 1.00 51.24 H new ATOM 0 HD2 LYS A 5 -3.909 5.755 -11.123 1.00 22.44 H new ATOM 0 HD3 LYS A 5 -4.990 7.085 -10.757 1.00 22.44 H new ATOM 0 HE2 LYS A 5 -3.656 8.663 -11.837 1.00 73.40 H new ATOM 0 HE3 LYS A 5 -2.179 7.755 -11.581 1.00 73.40 H new ATOM 0 HZ1 LYS A 5 -2.853 7.700 -13.894 1.00 61.10 H new ATOM 0 HZ2 LYS A 5 -2.921 6.137 -13.233 1.00 61.10 H new ATOM 0 HZ3 LYS A 5 -4.352 7.017 -13.481 1.00 61.10 H new ATOM 69 N ILE A 6 -5.113 8.795 -6.072 1.00 3.53 N ATOM 70 CA ILE A 6 -6.137 8.475 -5.085 1.00 54.51 C ATOM 71 C ILE A 6 -7.473 9.113 -5.453 1.00 31.22 C ATOM 72 O ILE A 6 -7.518 10.137 -6.134 1.00 11.13 O ATOM 73 CB ILE A 6 -5.729 8.945 -3.676 1.00 44.13 C ATOM 74 CG1 ILE A 6 -5.477 10.454 -3.672 1.00 23.34 C ATOM 75 CG2 ILE A 6 -4.491 8.194 -3.207 1.00 0.40 C ATOM 76 CD1 ILE A 6 -5.753 11.107 -2.335 1.00 42.51 C ATOM 0 H ILE A 6 -5.246 9.689 -6.544 1.00 3.53 H new ATOM 0 HA ILE A 6 -6.242 7.390 -5.081 1.00 54.51 H new ATOM 0 HB ILE A 6 -6.545 8.730 -2.985 1.00 44.13 H new ATOM 0 HG12 ILE A 6 -4.441 10.642 -3.953 1.00 23.34 H new ATOM 0 HG13 ILE A 6 -6.103 10.921 -4.432 1.00 23.34 H new ATOM 0 HG21 ILE A 6 -4.214 8.536 -2.210 1.00 0.40 H new ATOM 0 HG22 ILE A 6 -4.703 7.125 -3.178 1.00 0.40 H new ATOM 0 HG23 ILE A 6 -3.668 8.382 -3.897 1.00 0.40 H new ATOM 0 HD11 ILE A 6 -5.554 12.176 -2.404 1.00 42.51 H new ATOM 0 HD12 ILE A 6 -6.796 10.949 -2.062 1.00 42.51 H new ATOM 0 HD13 ILE A 6 -5.108 10.666 -1.575 1.00 42.51 H new ATOM 88 N LYS A 7 -8.560 8.500 -4.997 1.00 73.43 N ATOM 89 CA LYS A 7 -9.898 9.007 -5.274 1.00 73.22 C ATOM 90 C LYS A 7 -10.192 10.251 -4.442 1.00 62.05 C ATOM 91 O LYS A 7 -9.743 10.366 -3.301 1.00 42.55 O ATOM 92 CB LYS A 7 -10.945 7.929 -4.986 1.00 73.42 C ATOM 93 CG LYS A 7 -11.819 7.593 -6.183 1.00 71.02 C ATOM 94 CD LYS A 7 -13.163 7.032 -5.752 1.00 22.20 C ATOM 95 CE LYS A 7 -14.299 7.983 -6.096 1.00 35.40 C ATOM 96 NZ LYS A 7 -15.630 7.397 -5.772 1.00 20.43 N ATOM 0 H LYS A 7 -8.540 7.650 -4.433 1.00 73.43 H new ATOM 0 HA LYS A 7 -9.945 9.277 -6.329 1.00 73.22 H new ATOM 0 HB2 LYS A 7 -10.439 7.024 -4.651 1.00 73.42 H new ATOM 0 HB3 LYS A 7 -11.580 8.262 -4.165 1.00 73.42 H new ATOM 0 HG2 LYS A 7 -11.974 8.489 -6.785 1.00 71.02 H new ATOM 0 HG3 LYS A 7 -11.307 6.868 -6.816 1.00 71.02 H new ATOM 0 HD2 LYS A 7 -13.331 6.071 -6.239 1.00 22.20 H new ATOM 0 HD3 LYS A 7 -13.154 6.847 -4.678 1.00 22.20 H new ATOM 0 HE2 LYS A 7 -14.170 8.916 -5.548 1.00 35.40 H new ATOM 0 HE3 LYS A 7 -14.259 8.228 -7.157 1.00 35.40 H new ATOM 0 HZ1 LYS A 7 -16.136 7.177 -6.653 1.00 20.43 H new ATOM 0 HZ2 LYS A 7 -15.500 6.525 -5.221 1.00 20.43 H new ATOM 0 HZ3 LYS A 7 -16.184 8.079 -5.215 1.00 20.43 H new ATOM 110 N CYS A 8 -10.949 11.178 -5.018 1.00 71.24 N ATOM 111 CA CYS A 8 -11.303 12.414 -4.329 1.00 60.33 C ATOM 112 C CYS A 8 -12.240 13.263 -5.181 1.00 74.34 C ATOM 113 O CYS A 8 -12.298 13.107 -6.401 1.00 72.02 O ATOM 114 CB CYS A 8 -10.043 13.210 -3.986 1.00 43.45 C ATOM 115 SG CYS A 8 -9.002 13.595 -5.414 1.00 74.12 S ATOM 0 H CYS A 8 -11.330 11.097 -5.961 1.00 71.24 H new ATOM 0 HA CYS A 8 -11.820 12.151 -3.406 1.00 60.33 H new ATOM 0 HB2 CYS A 8 -10.335 14.141 -3.501 1.00 43.45 H new ATOM 0 HB3 CYS A 8 -9.455 12.645 -3.263 1.00 43.45 H new ATOM 0 HG CYS A 8 -7.762 13.327 -5.132 1.00 74.12 H new ATOM 121 N SER A 9 -12.973 14.161 -4.531 1.00 21.43 N ATOM 122 CA SER A 9 -13.913 15.031 -5.229 1.00 4.30 C ATOM 123 C SER A 9 -13.529 16.497 -5.050 1.00 55.13 C ATOM 124 O SER A 9 -12.435 16.812 -4.584 1.00 0.20 O ATOM 125 CB SER A 9 -15.335 14.798 -4.716 1.00 22.43 C ATOM 126 OG SER A 9 -15.668 13.420 -4.745 1.00 4.53 O ATOM 0 H SER A 9 -12.934 14.305 -3.522 1.00 21.43 H new ATOM 0 HA SER A 9 -13.875 14.789 -6.291 1.00 4.30 H new ATOM 0 HB2 SER A 9 -15.424 15.176 -3.697 1.00 22.43 H new ATOM 0 HB3 SER A 9 -16.042 15.359 -5.327 1.00 22.43 H new ATOM 0 HG SER A 9 -16.078 13.165 -3.892 1.00 4.53 H new ATOM 132 N HIS A 10 -14.441 17.389 -5.426 1.00 4.44 N ATOM 133 CA HIS A 10 -14.200 18.824 -5.307 1.00 24.13 C ATOM 134 C HIS A 10 -15.480 19.613 -5.567 1.00 23.11 C ATOM 135 O HIS A 10 -16.314 19.210 -6.377 1.00 75.41 O ATOM 136 CB HIS A 10 -13.109 19.262 -6.284 1.00 74.43 C ATOM 137 CG HIS A 10 -13.423 18.942 -7.714 1.00 31.33 C ATOM 138 ND1 HIS A 10 -13.498 17.754 -8.359 1.00 1.43 N flip ATOM 139 CD2 HIS A 10 -13.703 19.906 -8.658 1.00 22.41 C flip ATOM 140 CE1 HIS A 10 -13.819 18.021 -9.667 1.00 50.45 C flip ATOM 141 NE2 HIS A 10 -13.938 19.327 -9.821 1.00 51.13 N flip ATOM 0 H HIS A 10 -15.352 17.144 -5.815 1.00 4.44 H new ATOM 0 HA HIS A 10 -13.868 19.029 -4.289 1.00 24.13 H new ATOM 0 HB2 HIS A 10 -12.955 20.337 -6.186 1.00 74.43 H new ATOM 0 HB3 HIS A 10 -12.171 18.779 -6.009 1.00 74.43 H new ATOM 0 HD2 HIS A 10 -13.727 20.970 -8.475 1.00 22.41 H new ATOM 0 HE1 HIS A 10 -13.952 17.283 -10.444 1.00 50.45 H new ATOM 0 HE2 HIS A 10 -14.172 19.807 -10.690 1.00 51.13 H new ATOM 149 N ILE A 11 -15.627 20.736 -4.873 1.00 52.52 N ATOM 150 CA ILE A 11 -16.804 21.581 -5.030 1.00 0.12 C ATOM 151 C ILE A 11 -16.448 23.056 -4.875 1.00 1.14 C ATOM 152 O ILE A 11 -15.911 23.471 -3.848 1.00 32.04 O ATOM 153 CB ILE A 11 -17.898 21.219 -4.008 1.00 22.20 C ATOM 154 CG1 ILE A 11 -18.430 19.809 -4.276 1.00 53.35 C ATOM 155 CG2 ILE A 11 -19.027 22.236 -4.056 1.00 51.45 C ATOM 156 CD1 ILE A 11 -19.369 19.303 -3.203 1.00 4.52 C ATOM 0 H ILE A 11 -14.946 21.082 -4.197 1.00 52.52 H new ATOM 0 HA ILE A 11 -17.185 21.406 -6.036 1.00 0.12 H new ATOM 0 HB ILE A 11 -17.462 21.239 -3.009 1.00 22.20 H new ATOM 0 HG12 ILE A 11 -18.949 19.801 -5.235 1.00 53.35 H new ATOM 0 HG13 ILE A 11 -17.588 19.122 -4.364 1.00 53.35 H new ATOM 0 HG21 ILE A 11 -19.792 21.965 -3.328 1.00 51.45 H new ATOM 0 HG22 ILE A 11 -18.636 23.226 -3.820 1.00 51.45 H new ATOM 0 HG23 ILE A 11 -19.464 22.247 -5.054 1.00 51.45 H new ATOM 0 HD11 ILE A 11 -19.706 18.299 -3.459 1.00 4.52 H new ATOM 0 HD12 ILE A 11 -18.848 19.278 -2.246 1.00 4.52 H new ATOM 0 HD13 ILE A 11 -20.230 19.967 -3.130 1.00 4.52 H new ATOM 168 N LEU A 12 -16.752 23.843 -5.901 1.00 3.24 N ATOM 169 CA LEU A 12 -16.465 25.273 -5.878 1.00 55.12 C ATOM 170 C LEU A 12 -17.723 26.075 -5.558 1.00 44.41 C ATOM 171 O LEU A 12 -18.821 25.726 -5.989 1.00 32.04 O ATOM 172 CB LEU A 12 -15.891 25.720 -7.224 1.00 21.21 C ATOM 173 CG LEU A 12 -14.370 25.645 -7.363 1.00 4.43 C ATOM 174 CD1 LEU A 12 -13.695 26.493 -6.295 1.00 41.15 C ATOM 175 CD2 LEU A 12 -13.896 24.202 -7.277 1.00 63.32 C ATOM 0 H LEU A 12 -17.197 23.516 -6.759 1.00 3.24 H new ATOM 0 HA LEU A 12 -15.728 25.458 -5.096 1.00 55.12 H new ATOM 0 HB2 LEU A 12 -16.338 25.109 -8.008 1.00 21.21 H new ATOM 0 HB3 LEU A 12 -16.202 26.749 -7.405 1.00 21.21 H new ATOM 0 HG LEU A 12 -14.094 26.039 -8.341 1.00 4.43 H new ATOM 0 HD11 LEU A 12 -12.613 26.428 -6.409 1.00 41.15 H new ATOM 0 HD12 LEU A 12 -14.009 27.531 -6.402 1.00 41.15 H new ATOM 0 HD13 LEU A 12 -13.979 26.128 -5.308 1.00 41.15 H new ATOM 0 HD21 LEU A 12 -12.811 24.169 -7.378 1.00 63.32 H new ATOM 0 HD22 LEU A 12 -14.184 23.781 -6.314 1.00 63.32 H new ATOM 0 HD23 LEU A 12 -14.353 23.621 -8.078 1.00 63.32 H new ATOM 187 N VAL A 13 -17.553 27.155 -4.801 1.00 41.34 N ATOM 188 CA VAL A 13 -18.673 28.010 -4.425 1.00 72.25 C ATOM 189 C VAL A 13 -18.232 29.462 -4.284 1.00 40.32 C ATOM 190 O VAL A 13 -17.059 29.787 -4.469 1.00 74.04 O ATOM 191 CB VAL A 13 -19.313 27.546 -3.103 1.00 11.30 C ATOM 192 CG1 VAL A 13 -19.778 26.102 -3.212 1.00 53.41 C ATOM 193 CG2 VAL A 13 -18.335 27.715 -1.951 1.00 24.12 C ATOM 0 H VAL A 13 -16.650 27.458 -4.436 1.00 41.34 H new ATOM 0 HA VAL A 13 -19.412 27.935 -5.223 1.00 72.25 H new ATOM 0 HB VAL A 13 -20.185 28.168 -2.903 1.00 11.30 H new ATOM 0 HG11 VAL A 13 -20.227 25.792 -2.268 1.00 53.41 H new ATOM 0 HG12 VAL A 13 -20.515 26.016 -4.010 1.00 53.41 H new ATOM 0 HG13 VAL A 13 -18.925 25.461 -3.435 1.00 53.41 H new ATOM 0 HG21 VAL A 13 -18.803 27.383 -1.025 1.00 24.12 H new ATOM 0 HG22 VAL A 13 -17.443 27.119 -2.141 1.00 24.12 H new ATOM 0 HG23 VAL A 13 -18.057 28.765 -1.861 1.00 24.12 H new ATOM 203 N SER A 14 -19.181 30.333 -3.954 1.00 20.33 N ATOM 204 CA SER A 14 -18.892 31.753 -3.790 1.00 32.34 C ATOM 205 C SER A 14 -19.224 32.215 -2.374 1.00 33.24 C ATOM 206 O SER A 14 -19.242 33.412 -2.087 1.00 21.32 O ATOM 207 CB SER A 14 -19.684 32.577 -4.805 1.00 72.15 C ATOM 208 OG SER A 14 -18.979 32.692 -6.029 1.00 61.33 O ATOM 0 H SER A 14 -20.156 30.080 -3.795 1.00 20.33 H new ATOM 0 HA SER A 14 -17.826 31.903 -3.963 1.00 32.34 H new ATOM 0 HB2 SER A 14 -20.652 32.109 -4.982 1.00 72.15 H new ATOM 0 HB3 SER A 14 -19.879 33.570 -4.399 1.00 72.15 H new ATOM 0 HG SER A 14 -19.507 33.222 -6.662 1.00 61.33 H new ATOM 214 N LYS A 15 -19.487 31.256 -1.492 1.00 62.12 N ATOM 215 CA LYS A 15 -19.817 31.561 -0.105 1.00 52.34 C ATOM 216 C LYS A 15 -19.185 30.545 0.842 1.00 54.44 C ATOM 217 O LYS A 15 -19.076 29.365 0.514 1.00 20.44 O ATOM 218 CB LYS A 15 -21.335 31.578 0.088 1.00 71.23 C ATOM 219 CG LYS A 15 -22.050 32.587 -0.795 1.00 43.31 C ATOM 220 CD LYS A 15 -23.542 32.310 -0.864 1.00 35.12 C ATOM 221 CE LYS A 15 -24.187 32.389 0.511 1.00 35.03 C ATOM 222 NZ LYS A 15 -25.675 32.391 0.427 1.00 2.40 N ATOM 0 H LYS A 15 -19.478 30.260 -1.714 1.00 62.12 H new ATOM 0 HA LYS A 15 -19.416 32.547 0.129 1.00 52.34 H new ATOM 0 HB2 LYS A 15 -21.730 30.583 -0.118 1.00 71.23 H new ATOM 0 HB3 LYS A 15 -21.558 31.799 1.132 1.00 71.23 H new ATOM 0 HG2 LYS A 15 -21.883 33.592 -0.408 1.00 43.31 H new ATOM 0 HG3 LYS A 15 -21.627 32.557 -1.799 1.00 43.31 H new ATOM 0 HD2 LYS A 15 -24.016 33.029 -1.532 1.00 35.12 H new ATOM 0 HD3 LYS A 15 -23.710 31.321 -1.290 1.00 35.12 H new ATOM 0 HE2 LYS A 15 -23.859 31.543 1.115 1.00 35.03 H new ATOM 0 HE3 LYS A 15 -23.851 33.293 1.018 1.00 35.03 H new ATOM 0 HZ1 LYS A 15 -26.077 32.446 1.385 1.00 2.40 H new ATOM 0 HZ2 LYS A 15 -25.990 33.212 -0.128 1.00 2.40 H new ATOM 0 HZ3 LYS A 15 -25.998 31.517 -0.034 1.00 2.40 H new ATOM 236 N GLN A 16 -18.772 31.014 2.014 1.00 33.02 N ATOM 237 CA GLN A 16 -18.152 30.145 3.008 1.00 61.05 C ATOM 238 C GLN A 16 -19.158 29.135 3.552 1.00 44.52 C ATOM 239 O GLN A 16 -18.824 27.972 3.777 1.00 61.25 O ATOM 240 CB GLN A 16 -17.576 30.977 4.155 1.00 21.20 C ATOM 241 CG GLN A 16 -16.584 32.035 3.700 1.00 12.13 C ATOM 242 CD GLN A 16 -16.476 33.191 4.675 1.00 15.32 C ATOM 243 OE1 GLN A 16 -16.278 32.992 5.874 1.00 20.34 O ATOM 244 NE2 GLN A 16 -16.608 34.411 4.165 1.00 60.42 N ATOM 0 H GLN A 16 -18.855 31.990 2.299 1.00 33.02 H new ATOM 0 HA GLN A 16 -17.343 29.599 2.522 1.00 61.05 H new ATOM 0 HB2 GLN A 16 -18.394 31.463 4.687 1.00 21.20 H new ATOM 0 HB3 GLN A 16 -17.085 30.311 4.865 1.00 21.20 H new ATOM 0 HG2 GLN A 16 -15.603 31.578 3.575 1.00 12.13 H new ATOM 0 HG3 GLN A 16 -16.886 32.415 2.724 1.00 12.13 H new ATOM 0 HE21 GLN A 16 -16.771 34.531 3.165 1.00 60.42 H new ATOM 0 HE22 GLN A 16 -16.546 35.227 4.773 1.00 60.42 H new ATOM 253 N SER A 17 -20.390 29.588 3.761 1.00 41.32 N ATOM 254 CA SER A 17 -21.443 28.725 4.283 1.00 40.22 C ATOM 255 C SER A 17 -21.867 27.695 3.240 1.00 51.11 C ATOM 256 O SER A 17 -22.554 26.723 3.556 1.00 41.41 O ATOM 257 CB SER A 17 -22.650 29.561 4.711 1.00 75.44 C ATOM 258 OG SER A 17 -23.647 28.748 5.307 1.00 31.12 O ATOM 0 H SER A 17 -20.683 30.547 3.577 1.00 41.32 H new ATOM 0 HA SER A 17 -21.050 28.197 5.151 1.00 40.22 H new ATOM 0 HB2 SER A 17 -22.333 30.329 5.416 1.00 75.44 H new ATOM 0 HB3 SER A 17 -23.066 30.076 3.845 1.00 75.44 H new ATOM 0 HG SER A 17 -23.514 27.816 5.036 1.00 31.12 H new ATOM 264 N GLU A 18 -21.452 27.916 1.997 1.00 73.33 N ATOM 265 CA GLU A 18 -21.790 27.007 0.907 1.00 62.45 C ATOM 266 C GLU A 18 -20.745 25.902 0.776 1.00 12.40 C ATOM 267 O GLU A 18 -21.075 24.752 0.490 1.00 2.22 O ATOM 268 CB GLU A 18 -21.903 27.776 -0.412 1.00 1.12 C ATOM 269 CG GLU A 18 -23.245 28.462 -0.603 1.00 2.10 C ATOM 270 CD GLU A 18 -23.489 28.876 -2.041 1.00 4.50 C ATOM 271 OE1 GLU A 18 -22.522 29.307 -2.704 1.00 55.55 O ATOM 272 OE2 GLU A 18 -24.644 28.771 -2.501 1.00 63.45 O ATOM 0 H GLU A 18 -20.882 28.715 1.719 1.00 73.33 H new ATOM 0 HA GLU A 18 -22.752 26.549 1.136 1.00 62.45 H new ATOM 0 HB2 GLU A 18 -21.112 28.525 -0.455 1.00 1.12 H new ATOM 0 HB3 GLU A 18 -21.735 27.087 -1.240 1.00 1.12 H new ATOM 0 HG2 GLU A 18 -24.041 27.790 -0.282 1.00 2.10 H new ATOM 0 HG3 GLU A 18 -23.293 29.342 0.038 1.00 2.10 H new ATOM 279 N ALA A 19 -19.482 26.261 0.987 1.00 14.52 N ATOM 280 CA ALA A 19 -18.390 25.303 0.895 1.00 23.40 C ATOM 281 C ALA A 19 -18.211 24.545 2.206 1.00 51.22 C ATOM 282 O ALA A 19 -17.988 23.334 2.211 1.00 74.14 O ATOM 283 CB ALA A 19 -17.098 26.009 0.511 1.00 44.25 C ATOM 0 H ALA A 19 -19.191 27.210 1.223 1.00 14.52 H new ATOM 0 HA ALA A 19 -18.640 24.580 0.119 1.00 23.40 H new ATOM 0 HB1 ALA A 19 -16.290 25.280 0.446 1.00 44.25 H new ATOM 0 HB2 ALA A 19 -17.224 26.498 -0.455 1.00 44.25 H new ATOM 0 HB3 ALA A 19 -16.853 26.756 1.266 1.00 44.25 H new ATOM 289 N LEU A 20 -18.309 25.266 3.318 1.00 1.42 N ATOM 290 CA LEU A 20 -18.157 24.662 4.637 1.00 73.03 C ATOM 291 C LEU A 20 -19.362 23.792 4.979 1.00 15.34 C ATOM 292 O LEU A 20 -19.302 22.960 5.884 1.00 35.10 O ATOM 293 CB LEU A 20 -17.980 25.749 5.700 1.00 64.22 C ATOM 294 CG LEU A 20 -17.395 25.291 7.037 1.00 74.04 C ATOM 295 CD1 LEU A 20 -15.876 25.304 6.987 1.00 0.14 C ATOM 296 CD2 LEU A 20 -17.902 26.172 8.169 1.00 42.12 C ATOM 0 H LEU A 20 -18.493 26.269 3.332 1.00 1.42 H new ATOM 0 HA LEU A 20 -17.269 24.030 4.620 1.00 73.03 H new ATOM 0 HB2 LEU A 20 -17.335 26.527 5.292 1.00 64.22 H new ATOM 0 HB3 LEU A 20 -18.951 26.206 5.889 1.00 64.22 H new ATOM 0 HG LEU A 20 -17.722 24.268 7.225 1.00 74.04 H new ATOM 0 HD11 LEU A 20 -15.478 24.975 7.947 1.00 0.14 H new ATOM 0 HD12 LEU A 20 -15.532 24.631 6.202 1.00 0.14 H new ATOM 0 HD13 LEU A 20 -15.528 26.315 6.777 1.00 0.14 H new ATOM 0 HD21 LEU A 20 -17.476 25.832 9.113 1.00 42.12 H new ATOM 0 HD22 LEU A 20 -17.605 27.205 7.987 1.00 42.12 H new ATOM 0 HD23 LEU A 20 -18.989 26.111 8.219 1.00 42.12 H new ATOM 308 N ALA A 21 -20.454 23.988 4.248 1.00 41.44 N ATOM 309 CA ALA A 21 -21.671 23.219 4.471 1.00 74.22 C ATOM 310 C ALA A 21 -21.488 21.765 4.051 1.00 44.42 C ATOM 311 O ALA A 21 -22.296 20.903 4.392 1.00 75.22 O ATOM 312 CB ALA A 21 -22.837 23.844 3.719 1.00 2.20 C ATOM 0 H ALA A 21 -20.520 24.674 3.496 1.00 41.44 H new ATOM 0 HA ALA A 21 -21.890 23.237 5.539 1.00 74.22 H new ATOM 0 HB1 ALA A 21 -23.739 23.258 3.895 1.00 2.20 H new ATOM 0 HB2 ALA A 21 -22.992 24.864 4.071 1.00 2.20 H new ATOM 0 HB3 ALA A 21 -22.616 23.858 2.652 1.00 2.20 H new ATOM 318 N ILE A 22 -20.418 21.500 3.307 1.00 55.21 N ATOM 319 CA ILE A 22 -20.128 20.150 2.840 1.00 12.22 C ATOM 320 C ILE A 22 -19.755 19.235 4.001 1.00 3.53 C ATOM 321 O ILE A 22 -20.016 18.034 3.967 1.00 64.22 O ATOM 322 CB ILE A 22 -18.984 20.145 1.809 1.00 55.44 C ATOM 323 CG1 ILE A 22 -19.336 21.041 0.619 1.00 11.53 C ATOM 324 CG2 ILE A 22 -18.698 18.726 1.343 1.00 61.32 C ATOM 325 CD1 ILE A 22 -20.618 20.643 -0.079 1.00 14.24 C ATOM 0 H ILE A 22 -19.738 22.202 3.015 1.00 55.21 H new ATOM 0 HA ILE A 22 -21.036 19.778 2.365 1.00 12.22 H new ATOM 0 HB ILE A 22 -18.085 20.539 2.284 1.00 55.44 H new ATOM 0 HG12 ILE A 22 -19.424 22.071 0.964 1.00 11.53 H new ATOM 0 HG13 ILE A 22 -18.517 21.015 -0.100 1.00 11.53 H new ATOM 0 HG21 ILE A 22 -17.887 18.739 0.615 1.00 61.32 H new ATOM 0 HG22 ILE A 22 -18.409 18.114 2.197 1.00 61.32 H new ATOM 0 HG23 ILE A 22 -19.593 18.307 0.883 1.00 61.32 H new ATOM 0 HD11 ILE A 22 -20.805 21.321 -0.912 1.00 14.24 H new ATOM 0 HD12 ILE A 22 -20.527 19.624 -0.455 1.00 14.24 H new ATOM 0 HD13 ILE A 22 -21.448 20.697 0.626 1.00 14.24 H new ATOM 337 N MET A 23 -19.144 19.814 5.031 1.00 61.22 N ATOM 338 CA MET A 23 -18.737 19.051 6.205 1.00 72.05 C ATOM 339 C MET A 23 -19.806 19.115 7.291 1.00 21.33 C ATOM 340 O MET A 23 -19.561 18.738 8.437 1.00 41.43 O ATOM 341 CB MET A 23 -17.408 19.580 6.748 1.00 14.13 C ATOM 342 CG MET A 23 -17.406 21.080 6.994 1.00 32.12 C ATOM 343 SD MET A 23 -15.926 21.640 7.860 1.00 74.05 S ATOM 344 CE MET A 23 -16.645 22.714 9.099 1.00 61.21 C ATOM 0 H MET A 23 -18.920 20.808 5.076 1.00 61.22 H new ATOM 0 HA MET A 23 -18.610 18.011 5.906 1.00 72.05 H new ATOM 0 HB2 MET A 23 -17.176 19.067 7.681 1.00 14.13 H new ATOM 0 HB3 MET A 23 -16.613 19.335 6.043 1.00 14.13 H new ATOM 0 HG2 MET A 23 -17.483 21.601 6.040 1.00 32.12 H new ATOM 0 HG3 MET A 23 -18.287 21.350 7.576 1.00 32.12 H new ATOM 0 HE1 MET A 23 -16.024 23.602 9.216 1.00 61.21 H new ATOM 0 HE2 MET A 23 -17.646 23.011 8.787 1.00 61.21 H new ATOM 0 HE3 MET A 23 -16.704 22.184 10.050 1.00 61.21 H new ATOM 354 N GLU A 24 -20.990 19.594 6.924 1.00 52.15 N ATOM 355 CA GLU A 24 -22.094 19.708 7.869 1.00 21.21 C ATOM 356 C GLU A 24 -23.330 18.976 7.352 1.00 51.32 C ATOM 357 O GLU A 24 -23.926 18.164 8.059 1.00 14.11 O ATOM 358 CB GLU A 24 -22.427 21.179 8.124 1.00 51.34 C ATOM 359 CG GLU A 24 -21.205 22.079 8.182 1.00 51.11 C ATOM 360 CD GLU A 24 -21.284 23.097 9.302 1.00 3.43 C ATOM 361 OE1 GLU A 24 -21.179 22.694 10.479 1.00 23.12 O ATOM 362 OE2 GLU A 24 -21.450 24.298 9.003 1.00 64.01 O ATOM 0 H GLU A 24 -21.209 19.909 5.979 1.00 52.15 H new ATOM 0 HA GLU A 24 -21.785 19.246 8.807 1.00 21.21 H new ATOM 0 HB2 GLU A 24 -23.092 21.534 7.337 1.00 51.34 H new ATOM 0 HB3 GLU A 24 -22.973 21.261 9.064 1.00 51.34 H new ATOM 0 HG2 GLU A 24 -20.313 21.467 8.315 1.00 51.11 H new ATOM 0 HG3 GLU A 24 -21.096 22.599 7.230 1.00 51.11 H new ATOM 369 N LYS A 25 -23.709 19.272 6.113 1.00 52.13 N ATOM 370 CA LYS A 25 -24.873 18.644 5.499 1.00 75.32 C ATOM 371 C LYS A 25 -24.714 17.128 5.455 1.00 40.13 C ATOM 372 O LYS A 25 -25.574 16.389 5.935 1.00 75.15 O ATOM 373 CB LYS A 25 -25.084 19.186 4.084 1.00 40.14 C ATOM 374 CG LYS A 25 -25.980 20.412 4.028 1.00 3.32 C ATOM 375 CD LYS A 25 -25.450 21.530 4.912 1.00 74.04 C ATOM 376 CE LYS A 25 -26.337 22.763 4.840 1.00 2.53 C ATOM 377 NZ LYS A 25 -27.651 22.541 5.505 1.00 40.23 N ATOM 0 H LYS A 25 -23.227 19.943 5.515 1.00 52.13 H new ATOM 0 HA LYS A 25 -25.746 18.883 6.107 1.00 75.32 H new ATOM 0 HB2 LYS A 25 -24.115 19.435 3.651 1.00 40.14 H new ATOM 0 HB3 LYS A 25 -25.518 18.401 3.464 1.00 40.14 H new ATOM 0 HG2 LYS A 25 -26.053 20.764 2.999 1.00 3.32 H new ATOM 0 HG3 LYS A 25 -26.987 20.143 4.345 1.00 3.32 H new ATOM 0 HD2 LYS A 25 -25.390 21.183 5.943 1.00 74.04 H new ATOM 0 HD3 LYS A 25 -24.437 21.790 4.604 1.00 74.04 H new ATOM 0 HE2 LYS A 25 -25.829 23.604 5.312 1.00 2.53 H new ATOM 0 HE3 LYS A 25 -26.499 23.033 3.797 1.00 2.53 H new ATOM 0 HZ1 LYS A 25 -28.186 23.433 5.524 1.00 40.23 H new ATOM 0 HZ2 LYS A 25 -28.190 21.825 4.978 1.00 40.23 H new ATOM 0 HZ3 LYS A 25 -27.496 22.210 6.478 1.00 40.23 H new ATOM 391 N LEU A 26 -23.608 16.670 4.879 1.00 73.11 N ATOM 392 CA LEU A 26 -23.335 15.241 4.774 1.00 23.11 C ATOM 393 C LEU A 26 -23.299 14.591 6.153 1.00 35.31 C ATOM 394 O LEU A 26 -23.546 13.393 6.293 1.00 22.22 O ATOM 395 CB LEU A 26 -22.006 15.007 4.052 1.00 15.12 C ATOM 396 CG LEU A 26 -21.856 15.680 2.687 1.00 1.34 C ATOM 397 CD1 LEU A 26 -20.544 15.275 2.035 1.00 51.13 C ATOM 398 CD2 LEU A 26 -23.032 15.331 1.788 1.00 60.31 C ATOM 0 H LEU A 26 -22.886 17.268 4.477 1.00 73.11 H new ATOM 0 HA LEU A 26 -24.140 14.784 4.198 1.00 23.11 H new ATOM 0 HB2 LEU A 26 -21.199 15.355 4.697 1.00 15.12 H new ATOM 0 HB3 LEU A 26 -21.870 13.933 3.922 1.00 15.12 H new ATOM 0 HG LEU A 26 -21.847 16.760 2.834 1.00 1.34 H new ATOM 0 HD11 LEU A 26 -20.454 15.763 1.065 1.00 51.13 H new ATOM 0 HD12 LEU A 26 -19.713 15.577 2.672 1.00 51.13 H new ATOM 0 HD13 LEU A 26 -20.523 14.194 1.900 1.00 51.13 H new ATOM 0 HD21 LEU A 26 -22.908 15.819 0.821 1.00 60.31 H new ATOM 0 HD22 LEU A 26 -23.074 14.251 1.647 1.00 60.31 H new ATOM 0 HD23 LEU A 26 -23.958 15.673 2.251 1.00 60.31 H new ATOM 410 N LYS A 27 -22.992 15.389 7.170 1.00 43.15 N ATOM 411 CA LYS A 27 -22.927 14.894 8.540 1.00 71.22 C ATOM 412 C LYS A 27 -24.244 14.239 8.945 1.00 52.24 C ATOM 413 O LYS A 27 -24.277 13.383 9.828 1.00 0.33 O ATOM 414 CB LYS A 27 -22.597 16.037 9.502 1.00 60.11 C ATOM 415 CG LYS A 27 -21.982 15.571 10.811 1.00 14.43 C ATOM 416 CD LYS A 27 -21.693 16.740 11.738 1.00 34.13 C ATOM 417 CE LYS A 27 -21.062 16.275 13.041 1.00 32.21 C ATOM 418 NZ LYS A 27 -19.600 16.031 12.893 1.00 74.21 N ATOM 0 H LYS A 27 -22.784 16.383 7.071 1.00 43.15 H new ATOM 0 HA LYS A 27 -22.137 14.144 8.592 1.00 71.22 H new ATOM 0 HB2 LYS A 27 -21.909 16.726 9.012 1.00 60.11 H new ATOM 0 HB3 LYS A 27 -23.508 16.595 9.717 1.00 60.11 H new ATOM 0 HG2 LYS A 27 -22.659 14.873 11.304 1.00 14.43 H new ATOM 0 HG3 LYS A 27 -21.058 15.029 10.608 1.00 14.43 H new ATOM 0 HD2 LYS A 27 -21.026 17.444 11.240 1.00 34.13 H new ATOM 0 HD3 LYS A 27 -22.619 17.274 11.951 1.00 34.13 H new ATOM 0 HE2 LYS A 27 -21.229 17.026 13.813 1.00 32.21 H new ATOM 0 HE3 LYS A 27 -21.551 15.360 13.375 1.00 32.21 H new ATOM 0 HZ1 LYS A 27 -19.207 15.716 13.803 1.00 74.21 H new ATOM 0 HZ2 LYS A 27 -19.442 15.296 12.174 1.00 74.21 H new ATOM 0 HZ3 LYS A 27 -19.129 16.910 12.599 1.00 74.21 H new ATOM 432 N SER A 28 -25.327 14.646 8.291 1.00 72.23 N ATOM 433 CA SER A 28 -26.647 14.100 8.584 1.00 33.21 C ATOM 434 C SER A 28 -26.858 12.770 7.866 1.00 44.51 C ATOM 435 O SER A 28 -27.665 11.945 8.289 1.00 73.23 O ATOM 436 CB SER A 28 -27.736 15.093 8.172 1.00 74.12 C ATOM 437 OG SER A 28 -29.027 14.571 8.435 1.00 55.53 O ATOM 0 H SER A 28 -25.316 15.352 7.555 1.00 72.23 H new ATOM 0 HA SER A 28 -26.710 13.927 9.658 1.00 33.21 H new ATOM 0 HB2 SER A 28 -27.602 16.030 8.713 1.00 74.12 H new ATOM 0 HB3 SER A 28 -27.642 15.321 7.110 1.00 74.12 H new ATOM 0 HG SER A 28 -29.705 15.224 8.165 1.00 55.53 H new ATOM 443 N GLY A 29 -26.123 12.571 6.776 1.00 1.23 N ATOM 444 CA GLY A 29 -26.243 11.341 6.016 1.00 62.33 C ATOM 445 C GLY A 29 -26.593 11.589 4.562 1.00 12.32 C ATOM 446 O GLY A 29 -27.243 10.762 3.925 1.00 53.34 O ATOM 0 H GLY A 29 -25.447 13.239 6.406 1.00 1.23 H new ATOM 0 HA2 GLY A 29 -25.304 10.790 6.072 1.00 62.33 H new ATOM 0 HA3 GLY A 29 -27.009 10.711 6.469 1.00 62.33 H new ATOM 450 N GLU A 30 -26.162 12.732 4.039 1.00 53.43 N ATOM 451 CA GLU A 30 -26.437 13.088 2.651 1.00 1.44 C ATOM 452 C GLU A 30 -25.358 12.537 1.724 1.00 3.42 C ATOM 453 O GLU A 30 -24.543 11.706 2.125 1.00 24.24 O ATOM 454 CB GLU A 30 -26.528 14.608 2.500 1.00 52.22 C ATOM 455 CG GLU A 30 -27.286 15.288 3.627 1.00 32.10 C ATOM 456 CD GLU A 30 -28.744 14.874 3.683 1.00 13.12 C ATOM 457 OE1 GLU A 30 -29.508 15.269 2.777 1.00 3.51 O ATOM 458 OE2 GLU A 30 -29.121 14.156 4.632 1.00 74.42 O ATOM 0 H GLU A 30 -25.622 13.427 4.554 1.00 53.43 H new ATOM 0 HA GLU A 30 -27.393 12.644 2.371 1.00 1.44 H new ATOM 0 HB2 GLU A 30 -25.520 15.021 2.451 1.00 52.22 H new ATOM 0 HB3 GLU A 30 -27.015 14.842 1.553 1.00 52.22 H new ATOM 0 HG2 GLU A 30 -26.808 15.050 4.577 1.00 32.10 H new ATOM 0 HG3 GLU A 30 -27.224 16.369 3.501 1.00 32.10 H new ATOM 465 N LYS A 31 -25.357 13.006 0.482 1.00 53.25 N ATOM 466 CA LYS A 31 -24.379 12.563 -0.504 1.00 60.23 C ATOM 467 C LYS A 31 -23.567 13.742 -1.034 1.00 34.33 C ATOM 468 O LYS A 31 -24.121 14.789 -1.368 1.00 1.12 O ATOM 469 CB LYS A 31 -25.079 11.851 -1.664 1.00 74.42 C ATOM 470 CG LYS A 31 -24.209 10.815 -2.355 1.00 52.24 C ATOM 471 CD LYS A 31 -24.553 9.406 -1.901 1.00 73.04 C ATOM 472 CE LYS A 31 -23.926 9.087 -0.553 1.00 34.12 C ATOM 473 NZ LYS A 31 -24.901 9.242 0.563 1.00 62.33 N ATOM 0 H LYS A 31 -26.024 13.694 0.133 1.00 53.25 H new ATOM 0 HA LYS A 31 -23.699 11.866 -0.015 1.00 60.23 H new ATOM 0 HB2 LYS A 31 -25.981 11.365 -1.290 1.00 74.42 H new ATOM 0 HB3 LYS A 31 -25.397 12.593 -2.396 1.00 74.42 H new ATOM 0 HG2 LYS A 31 -24.338 10.892 -3.435 1.00 52.24 H new ATOM 0 HG3 LYS A 31 -23.160 11.020 -2.144 1.00 52.24 H new ATOM 0 HD2 LYS A 31 -25.636 9.298 -1.835 1.00 73.04 H new ATOM 0 HD3 LYS A 31 -24.206 8.688 -2.644 1.00 73.04 H new ATOM 0 HE2 LYS A 31 -23.544 8.066 -0.563 1.00 34.12 H new ATOM 0 HE3 LYS A 31 -23.073 9.745 -0.384 1.00 34.12 H new ATOM 0 HZ1 LYS A 31 -24.684 10.108 1.096 1.00 62.33 H new ATOM 0 HZ2 LYS A 31 -25.864 9.306 0.176 1.00 62.33 H new ATOM 0 HZ3 LYS A 31 -24.836 8.420 1.197 1.00 62.33 H new ATOM 487 N PHE A 32 -22.253 13.563 -1.109 1.00 22.13 N ATOM 488 CA PHE A 32 -21.365 14.610 -1.598 1.00 0.53 C ATOM 489 C PHE A 32 -21.800 15.091 -2.979 1.00 53.22 C ATOM 490 O PHE A 32 -21.859 16.291 -3.242 1.00 2.44 O ATOM 491 CB PHE A 32 -19.923 14.103 -1.653 1.00 12.54 C ATOM 492 CG PHE A 32 -18.932 15.156 -2.059 1.00 40.43 C ATOM 493 CD1 PHE A 32 -18.783 15.509 -3.391 1.00 13.12 C ATOM 494 CD2 PHE A 32 -18.148 15.793 -1.110 1.00 35.41 C ATOM 495 CE1 PHE A 32 -17.871 16.478 -3.767 1.00 74.45 C ATOM 496 CE2 PHE A 32 -17.235 16.761 -1.481 1.00 11.34 C ATOM 497 CZ PHE A 32 -17.098 17.105 -2.811 1.00 62.12 C ATOM 0 H PHE A 32 -21.779 12.702 -0.837 1.00 22.13 H new ATOM 0 HA PHE A 32 -21.420 15.450 -0.906 1.00 0.53 H new ATOM 0 HB2 PHE A 32 -19.646 13.713 -0.674 1.00 12.54 H new ATOM 0 HB3 PHE A 32 -19.865 13.271 -2.355 1.00 12.54 H new ATOM 0 HD1 PHE A 32 -19.386 15.022 -4.143 1.00 13.12 H new ATOM 0 HD2 PHE A 32 -18.252 15.529 -0.068 1.00 35.41 H new ATOM 0 HE1 PHE A 32 -17.764 16.744 -4.808 1.00 74.45 H new ATOM 0 HE2 PHE A 32 -16.629 17.248 -0.731 1.00 11.34 H new ATOM 0 HZ PHE A 32 -16.387 17.864 -3.103 1.00 62.12 H new ATOM 507 N GLY A 33 -22.104 14.142 -3.860 1.00 61.12 N ATOM 508 CA GLY A 33 -22.529 14.487 -5.205 1.00 20.44 C ATOM 509 C GLY A 33 -23.765 15.363 -5.215 1.00 41.51 C ATOM 510 O GLY A 33 -23.874 16.288 -6.021 1.00 3.41 O ATOM 0 H GLY A 33 -22.064 13.141 -3.667 1.00 61.12 H new ATOM 0 HA2 GLY A 33 -21.717 15.003 -5.718 1.00 20.44 H new ATOM 0 HA3 GLY A 33 -22.730 13.574 -5.765 1.00 20.44 H new ATOM 514 N LYS A 34 -24.702 15.073 -4.318 1.00 40.23 N ATOM 515 CA LYS A 34 -25.937 15.842 -4.226 1.00 74.31 C ATOM 516 C LYS A 34 -25.643 17.323 -4.011 1.00 12.11 C ATOM 517 O LYS A 34 -26.458 18.183 -4.346 1.00 74.02 O ATOM 518 CB LYS A 34 -26.808 15.313 -3.084 1.00 62.45 C ATOM 519 CG LYS A 34 -27.385 13.933 -3.348 1.00 61.21 C ATOM 520 CD LYS A 34 -28.622 14.005 -4.228 1.00 15.34 C ATOM 521 CE LYS A 34 -29.872 14.289 -3.409 1.00 42.21 C ATOM 522 NZ LYS A 34 -30.353 13.076 -2.691 1.00 60.13 N ATOM 0 H LYS A 34 -24.629 14.311 -3.644 1.00 40.23 H new ATOM 0 HA LYS A 34 -26.475 15.730 -5.167 1.00 74.31 H new ATOM 0 HB2 LYS A 34 -26.214 15.281 -2.170 1.00 62.45 H new ATOM 0 HB3 LYS A 34 -27.626 16.012 -2.908 1.00 62.45 H new ATOM 0 HG2 LYS A 34 -26.632 13.308 -3.828 1.00 61.21 H new ATOM 0 HG3 LYS A 34 -27.638 13.456 -2.401 1.00 61.21 H new ATOM 0 HD2 LYS A 34 -28.492 14.785 -4.978 1.00 15.34 H new ATOM 0 HD3 LYS A 34 -28.743 13.064 -4.765 1.00 15.34 H new ATOM 0 HE2 LYS A 34 -29.662 15.078 -2.687 1.00 42.21 H new ATOM 0 HE3 LYS A 34 -30.660 14.659 -4.065 1.00 42.21 H new ATOM 0 HZ1 LYS A 34 -31.269 13.279 -2.242 1.00 60.13 H new ATOM 0 HZ2 LYS A 34 -30.465 12.294 -3.367 1.00 60.13 H new ATOM 0 HZ3 LYS A 34 -29.662 12.807 -1.962 1.00 60.13 H new ATOM 536 N LEU A 35 -24.473 17.613 -3.452 1.00 55.33 N ATOM 537 CA LEU A 35 -24.071 18.991 -3.194 1.00 1.40 C ATOM 538 C LEU A 35 -23.138 19.501 -4.289 1.00 35.12 C ATOM 539 O LEU A 35 -23.075 20.700 -4.556 1.00 72.12 O ATOM 540 CB LEU A 35 -23.381 19.095 -1.833 1.00 32.22 C ATOM 541 CG LEU A 35 -23.954 18.215 -0.722 1.00 74.11 C ATOM 542 CD1 LEU A 35 -23.200 18.438 0.579 1.00 3.20 C ATOM 543 CD2 LEU A 35 -25.439 18.491 -0.533 1.00 41.45 C ATOM 0 H LEU A 35 -23.787 16.913 -3.169 1.00 55.33 H new ATOM 0 HA LEU A 35 -24.968 19.610 -3.189 1.00 1.40 H new ATOM 0 HB2 LEU A 35 -22.328 18.844 -1.962 1.00 32.22 H new ATOM 0 HB3 LEU A 35 -23.423 20.134 -1.505 1.00 32.22 H new ATOM 0 HG LEU A 35 -23.833 17.172 -1.014 1.00 74.11 H new ATOM 0 HD11 LEU A 35 -23.622 17.803 1.358 1.00 3.20 H new ATOM 0 HD12 LEU A 35 -22.149 18.188 0.438 1.00 3.20 H new ATOM 0 HD13 LEU A 35 -23.288 19.483 0.876 1.00 3.20 H new ATOM 0 HD21 LEU A 35 -25.829 17.855 0.262 1.00 41.45 H new ATOM 0 HD22 LEU A 35 -25.583 19.537 -0.264 1.00 41.45 H new ATOM 0 HD23 LEU A 35 -25.970 18.278 -1.461 1.00 41.45 H new ATOM 555 N ALA A 36 -22.418 18.580 -4.921 1.00 24.14 N ATOM 556 CA ALA A 36 -21.493 18.934 -5.989 1.00 4.40 C ATOM 557 C ALA A 36 -22.237 19.222 -7.289 1.00 35.43 C ATOM 558 O ALA A 36 -21.713 19.885 -8.183 1.00 74.15 O ATOM 559 CB ALA A 36 -20.475 17.823 -6.197 1.00 22.41 C ATOM 0 H ALA A 36 -22.458 17.583 -4.711 1.00 24.14 H new ATOM 0 HA ALA A 36 -20.968 19.842 -5.693 1.00 4.40 H new ATOM 0 HB1 ALA A 36 -19.791 18.102 -6.998 1.00 22.41 H new ATOM 0 HB2 ALA A 36 -19.912 17.668 -5.276 1.00 22.41 H new ATOM 0 HB3 ALA A 36 -20.992 16.902 -6.466 1.00 22.41 H new ATOM 565 N LYS A 37 -23.462 18.717 -7.386 1.00 75.01 N ATOM 566 CA LYS A 37 -24.282 18.919 -8.575 1.00 10.40 C ATOM 567 C LYS A 37 -25.042 20.239 -8.494 1.00 45.42 C ATOM 568 O LYS A 37 -25.852 20.552 -9.366 1.00 50.22 O ATOM 569 CB LYS A 37 -25.267 17.761 -8.744 1.00 74.41 C ATOM 570 CG LYS A 37 -25.756 17.580 -10.171 1.00 62.33 C ATOM 571 CD LYS A 37 -26.108 16.130 -10.461 1.00 13.50 C ATOM 572 CE LYS A 37 -27.397 15.721 -9.765 1.00 12.21 C ATOM 573 NZ LYS A 37 -28.153 14.707 -10.551 1.00 52.21 N ATOM 0 H LYS A 37 -23.909 18.164 -6.655 1.00 75.01 H new ATOM 0 HA LYS A 37 -23.620 18.953 -9.440 1.00 10.40 H new ATOM 0 HB2 LYS A 37 -24.790 16.839 -8.413 1.00 74.41 H new ATOM 0 HB3 LYS A 37 -26.125 17.928 -8.093 1.00 74.41 H new ATOM 0 HG2 LYS A 37 -26.631 18.208 -10.339 1.00 62.33 H new ATOM 0 HG3 LYS A 37 -24.985 17.914 -10.866 1.00 62.33 H new ATOM 0 HD2 LYS A 37 -26.213 15.988 -11.537 1.00 13.50 H new ATOM 0 HD3 LYS A 37 -25.294 15.484 -10.132 1.00 13.50 H new ATOM 0 HE2 LYS A 37 -27.165 15.318 -8.779 1.00 12.21 H new ATOM 0 HE3 LYS A 37 -28.022 16.601 -9.611 1.00 12.21 H new ATOM 0 HZ1 LYS A 37 -29.025 14.454 -10.044 1.00 52.21 H new ATOM 0 HZ2 LYS A 37 -28.396 15.100 -11.482 1.00 52.21 H new ATOM 0 HZ3 LYS A 37 -27.567 13.857 -10.677 1.00 52.21 H new ATOM 587 N GLU A 38 -24.773 21.009 -7.445 1.00 32.00 N ATOM 588 CA GLU A 38 -25.432 22.295 -7.252 1.00 11.40 C ATOM 589 C GLU A 38 -24.436 23.352 -6.782 1.00 14.13 C ATOM 590 O GLU A 38 -24.219 24.360 -7.455 1.00 12.50 O ATOM 591 CB GLU A 38 -26.570 22.163 -6.238 1.00 73.01 C ATOM 592 CG GLU A 38 -27.579 21.083 -6.592 1.00 2.42 C ATOM 593 CD GLU A 38 -28.614 21.557 -7.594 1.00 44.42 C ATOM 594 OE1 GLU A 38 -28.844 22.783 -7.673 1.00 35.20 O ATOM 595 OE2 GLU A 38 -29.193 20.705 -8.298 1.00 21.23 O ATOM 0 H GLU A 38 -24.103 20.765 -6.716 1.00 32.00 H new ATOM 0 HA GLU A 38 -25.844 22.610 -8.210 1.00 11.40 H new ATOM 0 HB2 GLU A 38 -26.148 21.946 -5.257 1.00 73.01 H new ATOM 0 HB3 GLU A 38 -27.087 23.119 -6.158 1.00 73.01 H new ATOM 0 HG2 GLU A 38 -27.053 20.219 -6.999 1.00 2.42 H new ATOM 0 HG3 GLU A 38 -28.083 20.750 -5.685 1.00 2.42 H new ATOM 602 N LEU A 39 -23.835 23.113 -5.622 1.00 40.23 N ATOM 603 CA LEU A 39 -22.862 24.044 -5.059 1.00 22.00 C ATOM 604 C LEU A 39 -21.715 24.287 -6.034 1.00 4.50 C ATOM 605 O LEU A 39 -21.365 25.432 -6.323 1.00 72.45 O ATOM 606 CB LEU A 39 -22.316 23.504 -3.736 1.00 75.32 C ATOM 607 CG LEU A 39 -23.340 23.312 -2.617 1.00 31.02 C ATOM 608 CD1 LEU A 39 -22.645 22.937 -1.317 1.00 32.02 C ATOM 609 CD2 LEU A 39 -24.172 24.572 -2.433 1.00 55.33 C ATOM 0 H LEU A 39 -24.004 22.283 -5.053 1.00 40.23 H new ATOM 0 HA LEU A 39 -23.367 24.993 -4.876 1.00 22.00 H new ATOM 0 HB2 LEU A 39 -21.834 22.546 -3.929 1.00 75.32 H new ATOM 0 HB3 LEU A 39 -21.542 24.184 -3.380 1.00 75.32 H new ATOM 0 HG LEU A 39 -24.008 22.497 -2.898 1.00 31.02 H new ATOM 0 HD11 LEU A 39 -23.389 22.804 -0.532 1.00 32.02 H new ATOM 0 HD12 LEU A 39 -22.093 22.007 -1.455 1.00 32.02 H new ATOM 0 HD13 LEU A 39 -21.954 23.730 -1.032 1.00 32.02 H new ATOM 0 HD21 LEU A 39 -24.895 24.417 -1.633 1.00 55.33 H new ATOM 0 HD22 LEU A 39 -23.518 25.405 -2.175 1.00 55.33 H new ATOM 0 HD23 LEU A 39 -24.699 24.798 -3.360 1.00 55.33 H new ATOM 621 N SER A 40 -21.133 23.203 -6.539 1.00 53.34 N ATOM 622 CA SER A 40 -20.024 23.299 -7.481 1.00 60.21 C ATOM 623 C SER A 40 -20.364 24.250 -8.624 1.00 65.23 C ATOM 624 O SER A 40 -21.122 23.903 -9.530 1.00 54.45 O ATOM 625 CB SER A 40 -19.679 21.916 -8.037 1.00 51.14 C ATOM 626 OG SER A 40 -18.288 21.797 -8.277 1.00 22.31 O ATOM 0 H SER A 40 -21.411 22.249 -6.311 1.00 53.34 H new ATOM 0 HA SER A 40 -19.159 23.694 -6.948 1.00 60.21 H new ATOM 0 HB2 SER A 40 -19.997 21.147 -7.333 1.00 51.14 H new ATOM 0 HB3 SER A 40 -20.227 21.746 -8.964 1.00 51.14 H new ATOM 0 HG SER A 40 -18.092 20.904 -8.630 1.00 22.31 H new ATOM 632 N ILE A 41 -19.795 25.450 -8.576 1.00 10.33 N ATOM 633 CA ILE A 41 -20.036 26.451 -9.609 1.00 10.14 C ATOM 634 C ILE A 41 -19.277 26.115 -10.887 1.00 63.15 C ATOM 635 O ILE A 41 -19.639 26.569 -11.973 1.00 5.50 O ATOM 636 CB ILE A 41 -19.624 27.858 -9.136 1.00 32.34 C ATOM 637 CG1 ILE A 41 -18.177 27.850 -8.641 1.00 65.15 C ATOM 638 CG2 ILE A 41 -20.562 28.342 -8.039 1.00 4.51 C ATOM 639 CD1 ILE A 41 -17.431 29.133 -8.935 1.00 62.13 C ATOM 0 H ILE A 41 -19.164 25.753 -7.834 1.00 10.33 H new ATOM 0 HA ILE A 41 -21.107 26.443 -9.812 1.00 10.14 H new ATOM 0 HB ILE A 41 -19.696 28.545 -9.979 1.00 32.34 H new ATOM 0 HG12 ILE A 41 -18.170 27.674 -7.565 1.00 65.15 H new ATOM 0 HG13 ILE A 41 -17.648 27.017 -9.104 1.00 65.15 H new ATOM 0 HG21 ILE A 41 -20.259 29.337 -7.714 1.00 4.51 H new ATOM 0 HG22 ILE A 41 -21.582 28.380 -8.423 1.00 4.51 H new ATOM 0 HG23 ILE A 41 -20.518 27.655 -7.194 1.00 4.51 H new ATOM 0 HD11 ILE A 41 -16.412 29.056 -8.556 1.00 62.13 H new ATOM 0 HD12 ILE A 41 -17.406 29.301 -10.012 1.00 62.13 H new ATOM 0 HD13 ILE A 41 -17.937 29.967 -8.449 1.00 62.13 H new ATOM 651 N ASP A 42 -18.226 25.315 -10.752 1.00 5.43 N ATOM 652 CA ASP A 42 -17.416 24.915 -11.897 1.00 23.31 C ATOM 653 C ASP A 42 -18.252 24.134 -12.906 1.00 65.15 C ATOM 654 O ASP A 42 -18.650 22.998 -12.651 1.00 12.24 O ATOM 655 CB ASP A 42 -16.227 24.069 -11.439 1.00 2.42 C ATOM 656 CG ASP A 42 -15.240 23.803 -12.558 1.00 21.24 C ATOM 657 OD1 ASP A 42 -15.555 24.137 -13.718 1.00 54.32 O ATOM 658 OD2 ASP A 42 -14.152 23.259 -12.273 1.00 52.41 O ATOM 0 H ASP A 42 -17.914 24.930 -9.860 1.00 5.43 H new ATOM 0 HA ASP A 42 -17.044 25.818 -12.380 1.00 23.31 H new ATOM 0 HB2 ASP A 42 -15.716 24.578 -10.622 1.00 2.42 H new ATOM 0 HB3 ASP A 42 -16.590 23.120 -11.046 1.00 2.42 H new ATOM 663 N SER A 43 -18.515 24.752 -14.053 1.00 51.54 N ATOM 664 CA SER A 43 -19.308 24.117 -15.100 1.00 11.42 C ATOM 665 C SER A 43 -18.771 22.726 -15.420 1.00 25.32 C ATOM 666 O SER A 43 -19.534 21.801 -15.694 1.00 61.12 O ATOM 667 CB SER A 43 -19.307 24.979 -16.364 1.00 10.24 C ATOM 668 OG SER A 43 -18.139 24.755 -17.133 1.00 72.25 O ATOM 0 H SER A 43 -18.191 25.692 -14.281 1.00 51.54 H new ATOM 0 HA SER A 43 -20.331 24.018 -14.737 1.00 11.42 H new ATOM 0 HB2 SER A 43 -20.189 24.753 -16.963 1.00 10.24 H new ATOM 0 HB3 SER A 43 -19.369 26.032 -16.090 1.00 10.24 H new ATOM 0 HG SER A 43 -18.163 25.316 -17.936 1.00 72.25 H new ATOM 674 N GLY A 44 -17.449 22.585 -15.382 1.00 63.22 N ATOM 675 CA GLY A 44 -16.830 21.304 -15.669 1.00 51.33 C ATOM 676 C GLY A 44 -16.616 20.470 -14.422 1.00 10.44 C ATOM 677 O GLY A 44 -15.537 19.913 -14.218 1.00 31.20 O ATOM 0 H GLY A 44 -16.796 23.335 -15.157 1.00 63.22 H new ATOM 0 HA2 GLY A 44 -17.456 20.751 -16.369 1.00 51.33 H new ATOM 0 HA3 GLY A 44 -15.871 21.469 -16.160 1.00 51.33 H new ATOM 681 N SER A 45 -17.644 20.387 -13.583 1.00 41.12 N ATOM 682 CA SER A 45 -17.561 19.621 -12.346 1.00 22.01 C ATOM 683 C SER A 45 -18.953 19.267 -11.831 1.00 74.04 C ATOM 684 O SER A 45 -19.193 18.150 -11.375 1.00 31.20 O ATOM 685 CB SER A 45 -16.796 20.411 -11.282 1.00 34.14 C ATOM 686 OG SER A 45 -15.718 21.129 -11.857 1.00 13.52 O ATOM 0 H SER A 45 -18.544 20.841 -13.738 1.00 41.12 H new ATOM 0 HA SER A 45 -17.025 18.696 -12.556 1.00 22.01 H new ATOM 0 HB2 SER A 45 -17.473 21.104 -10.782 1.00 34.14 H new ATOM 0 HB3 SER A 45 -16.418 19.729 -10.520 1.00 34.14 H new ATOM 0 HG SER A 45 -15.285 20.577 -12.541 1.00 13.52 H new ATOM 692 N ALA A 46 -19.867 20.230 -11.908 1.00 33.41 N ATOM 693 CA ALA A 46 -21.235 20.021 -11.452 1.00 74.05 C ATOM 694 C ALA A 46 -21.926 18.933 -12.269 1.00 52.41 C ATOM 695 O ALA A 46 -22.967 18.410 -11.871 1.00 5.11 O ATOM 696 CB ALA A 46 -22.021 21.321 -11.530 1.00 32.12 C ATOM 0 H ALA A 46 -19.684 21.161 -12.282 1.00 33.41 H new ATOM 0 HA ALA A 46 -21.200 19.692 -10.413 1.00 74.05 H new ATOM 0 HB1 ALA A 46 -23.041 21.150 -11.186 1.00 32.12 H new ATOM 0 HB2 ALA A 46 -21.546 22.072 -10.898 1.00 32.12 H new ATOM 0 HB3 ALA A 46 -22.040 21.674 -12.561 1.00 32.12 H new ATOM 702 N LYS A 47 -21.342 18.599 -13.415 1.00 32.04 N ATOM 703 CA LYS A 47 -21.900 17.574 -14.287 1.00 70.45 C ATOM 704 C LYS A 47 -21.447 16.183 -13.854 1.00 11.34 C ATOM 705 O LYS A 47 -22.096 15.184 -14.161 1.00 31.40 O ATOM 706 CB LYS A 47 -21.483 17.828 -15.738 1.00 62.25 C ATOM 707 CG LYS A 47 -22.186 16.928 -16.740 1.00 50.52 C ATOM 708 CD LYS A 47 -21.889 17.348 -18.170 1.00 62.33 C ATOM 709 CE LYS A 47 -22.647 18.610 -18.550 1.00 62.01 C ATOM 710 NZ LYS A 47 -21.989 19.333 -19.673 1.00 54.54 N ATOM 0 H LYS A 47 -20.482 19.024 -13.761 1.00 32.04 H new ATOM 0 HA LYS A 47 -22.986 17.622 -14.212 1.00 70.45 H new ATOM 0 HB2 LYS A 47 -21.689 18.868 -15.990 1.00 62.25 H new ATOM 0 HB3 LYS A 47 -20.406 17.686 -15.828 1.00 62.25 H new ATOM 0 HG2 LYS A 47 -21.868 15.896 -16.589 1.00 50.52 H new ATOM 0 HG3 LYS A 47 -23.262 16.959 -16.566 1.00 50.52 H new ATOM 0 HD2 LYS A 47 -20.818 17.517 -18.286 1.00 62.33 H new ATOM 0 HD3 LYS A 47 -22.160 16.541 -18.851 1.00 62.33 H new ATOM 0 HE2 LYS A 47 -23.667 18.350 -18.833 1.00 62.01 H new ATOM 0 HE3 LYS A 47 -22.715 19.268 -17.684 1.00 62.01 H new ATOM 0 HZ1 LYS A 47 -22.535 20.188 -19.903 1.00 54.54 H new ATOM 0 HZ2 LYS A 47 -21.024 19.603 -19.394 1.00 54.54 H new ATOM 0 HZ3 LYS A 47 -21.947 18.714 -20.507 1.00 54.54 H new ATOM 724 N LYS A 48 -20.331 16.128 -13.135 1.00 63.34 N ATOM 725 CA LYS A 48 -19.792 14.860 -12.655 1.00 51.33 C ATOM 726 C LYS A 48 -19.806 14.806 -11.131 1.00 64.12 C ATOM 727 O LYS A 48 -18.980 14.131 -10.518 1.00 74.45 O ATOM 728 CB LYS A 48 -18.365 14.662 -13.171 1.00 65.41 C ATOM 729 CG LYS A 48 -17.526 15.927 -13.143 1.00 10.24 C ATOM 730 CD LYS A 48 -17.636 16.699 -14.447 1.00 72.42 C ATOM 731 CE LYS A 48 -16.564 16.272 -15.439 1.00 13.51 C ATOM 732 NZ LYS A 48 -16.756 16.910 -16.770 1.00 44.45 N ATOM 0 H LYS A 48 -19.782 16.946 -12.872 1.00 63.34 H new ATOM 0 HA LYS A 48 -20.424 14.057 -13.035 1.00 51.33 H new ATOM 0 HB2 LYS A 48 -17.873 13.897 -12.570 1.00 65.41 H new ATOM 0 HB3 LYS A 48 -18.406 14.286 -14.193 1.00 65.41 H new ATOM 0 HG2 LYS A 48 -17.848 16.560 -12.316 1.00 10.24 H new ATOM 0 HG3 LYS A 48 -16.483 15.669 -12.959 1.00 10.24 H new ATOM 0 HD2 LYS A 48 -18.622 16.539 -14.884 1.00 72.42 H new ATOM 0 HD3 LYS A 48 -17.545 17.767 -14.248 1.00 72.42 H new ATOM 0 HE2 LYS A 48 -15.581 16.536 -15.048 1.00 13.51 H new ATOM 0 HE3 LYS A 48 -16.582 15.188 -15.550 1.00 13.51 H new ATOM 0 HZ1 LYS A 48 -16.006 16.594 -17.418 1.00 44.45 H new ATOM 0 HZ2 LYS A 48 -17.683 16.638 -17.155 1.00 44.45 H new ATOM 0 HZ3 LYS A 48 -16.713 17.944 -16.669 1.00 44.45 H new ATOM 746 N ASN A 49 -20.749 15.520 -10.527 1.00 31.34 N ATOM 747 CA ASN A 49 -20.871 15.552 -9.074 1.00 23.43 C ATOM 748 C ASN A 49 -19.534 15.892 -8.423 1.00 63.03 C ATOM 749 O ASN A 49 -19.235 15.440 -7.318 1.00 55.35 O ATOM 750 CB ASN A 49 -21.375 14.203 -8.553 1.00 64.33 C ATOM 751 CG ASN A 49 -22.813 13.933 -8.947 1.00 55.21 C ATOM 752 OD1 ASN A 49 -23.742 14.645 -8.319 1.00 44.42 O flip ATOM 753 ND2 ASN A 49 -23.088 13.094 -9.806 1.00 31.31 N flip ATOM 0 H ASN A 49 -21.440 16.085 -11.021 1.00 31.34 H new ATOM 0 HA ASN A 49 -21.591 16.328 -8.812 1.00 23.43 H new ATOM 0 HB2 ASN A 49 -20.739 13.407 -8.940 1.00 64.33 H new ATOM 0 HB3 ASN A 49 -21.288 14.181 -7.467 1.00 64.33 H new ATOM 0 HD21 ASN A 49 -22.343 12.569 -10.264 1.00 31.31 H new ATOM 0 HD22 ASN A 49 -24.061 12.924 -10.060 1.00 31.31 H new ATOM 760 N GLY A 50 -18.730 16.693 -9.118 1.00 34.10 N ATOM 761 CA GLY A 50 -17.434 17.081 -8.592 1.00 55.33 C ATOM 762 C GLY A 50 -16.556 15.887 -8.276 1.00 44.54 C ATOM 763 O GLY A 50 -15.614 15.992 -7.492 1.00 35.20 O ATOM 0 H GLY A 50 -18.953 17.079 -10.035 1.00 34.10 H new ATOM 0 HA2 GLY A 50 -16.928 17.719 -9.316 1.00 55.33 H new ATOM 0 HA3 GLY A 50 -17.575 17.674 -7.688 1.00 55.33 H new ATOM 767 N ASN A 51 -16.864 14.749 -8.889 1.00 61.01 N ATOM 768 CA ASN A 51 -16.097 13.529 -8.667 1.00 44.35 C ATOM 769 C ASN A 51 -15.035 13.349 -9.748 1.00 45.55 C ATOM 770 O ASN A 51 -15.245 12.632 -10.727 1.00 12.32 O ATOM 771 CB ASN A 51 -17.025 12.314 -8.642 1.00 54.14 C ATOM 772 CG ASN A 51 -16.414 11.133 -7.913 1.00 13.20 C ATOM 773 OD1 ASN A 51 -16.026 10.141 -8.530 1.00 43.52 O ATOM 774 ND2 ASN A 51 -16.326 11.235 -6.592 1.00 54.21 N ATOM 0 H ASN A 51 -17.640 14.646 -9.544 1.00 61.01 H new ATOM 0 HA ASN A 51 -15.598 13.616 -7.702 1.00 44.35 H new ATOM 0 HB2 ASN A 51 -17.964 12.588 -8.161 1.00 54.14 H new ATOM 0 HB3 ASN A 51 -17.264 12.022 -9.665 1.00 54.14 H new ATOM 0 HD21 ASN A 51 -15.924 10.472 -6.047 1.00 54.21 H new ATOM 0 HD22 ASN A 51 -16.660 12.076 -6.122 1.00 54.21 H new ATOM 781 N LEU A 52 -13.895 14.006 -9.564 1.00 63.34 N ATOM 782 CA LEU A 52 -12.799 13.920 -10.523 1.00 65.11 C ATOM 783 C LEU A 52 -12.198 12.517 -10.538 1.00 45.41 C ATOM 784 O LEU A 52 -11.431 12.169 -11.435 1.00 50.25 O ATOM 785 CB LEU A 52 -11.717 14.948 -10.185 1.00 64.45 C ATOM 786 CG LEU A 52 -11.176 14.907 -8.756 1.00 42.31 C ATOM 787 CD1 LEU A 52 -10.075 13.866 -8.632 1.00 24.40 C ATOM 788 CD2 LEU A 52 -10.665 16.278 -8.341 1.00 4.40 C ATOM 0 H LEU A 52 -13.706 14.604 -8.760 1.00 63.34 H new ATOM 0 HA LEU A 52 -13.198 14.135 -11.514 1.00 65.11 H new ATOM 0 HB2 LEU A 52 -10.883 14.807 -10.872 1.00 64.45 H new ATOM 0 HB3 LEU A 52 -12.119 15.944 -10.372 1.00 64.45 H new ATOM 0 HG LEU A 52 -11.990 14.626 -8.087 1.00 42.31 H new ATOM 0 HD11 LEU A 52 -9.702 13.851 -7.608 1.00 24.40 H new ATOM 0 HD12 LEU A 52 -10.472 12.884 -8.888 1.00 24.40 H new ATOM 0 HD13 LEU A 52 -9.260 14.116 -9.311 1.00 24.40 H new ATOM 0 HD21 LEU A 52 -10.284 16.231 -7.321 1.00 4.40 H new ATOM 0 HD22 LEU A 52 -9.865 16.587 -9.014 1.00 4.40 H new ATOM 0 HD23 LEU A 52 -11.480 17.000 -8.390 1.00 4.40 H new ATOM 800 N GLY A 53 -12.553 11.716 -9.539 1.00 12.30 N ATOM 801 CA GLY A 53 -12.041 10.361 -9.457 1.00 31.01 C ATOM 802 C GLY A 53 -10.615 10.309 -8.947 1.00 1.40 C ATOM 803 O GLY A 53 -10.298 10.888 -7.907 1.00 13.33 O ATOM 0 H GLY A 53 -13.186 11.981 -8.785 1.00 12.30 H new ATOM 0 HA2 GLY A 53 -12.681 9.774 -8.798 1.00 31.01 H new ATOM 0 HA3 GLY A 53 -12.088 9.898 -10.443 1.00 31.01 H new ATOM 807 N TYR A 54 -9.751 9.614 -9.679 1.00 11.43 N ATOM 808 CA TYR A 54 -8.351 9.486 -9.292 1.00 51.35 C ATOM 809 C TYR A 54 -7.512 10.601 -9.907 1.00 50.44 C ATOM 810 O TYR A 54 -7.667 10.936 -11.082 1.00 71.45 O ATOM 811 CB TYR A 54 -7.804 8.124 -9.724 1.00 34.04 C ATOM 812 CG TYR A 54 -7.781 7.101 -8.610 1.00 4.14 C ATOM 813 CD1 TYR A 54 -8.875 6.933 -7.771 1.00 73.31 C ATOM 814 CD2 TYR A 54 -6.664 6.302 -8.397 1.00 64.14 C ATOM 815 CE1 TYR A 54 -8.858 6.000 -6.752 1.00 4.51 C ATOM 816 CE2 TYR A 54 -6.638 5.366 -7.382 1.00 55.15 C ATOM 817 CZ TYR A 54 -7.738 5.219 -6.562 1.00 24.03 C ATOM 818 OH TYR A 54 -7.716 4.287 -5.549 1.00 54.35 O ATOM 0 H TYR A 54 -9.996 9.131 -10.543 1.00 11.43 H new ATOM 0 HA TYR A 54 -8.291 9.567 -8.207 1.00 51.35 H new ATOM 0 HB2 TYR A 54 -8.411 7.742 -10.545 1.00 34.04 H new ATOM 0 HB3 TYR A 54 -6.792 8.253 -10.109 1.00 34.04 H new ATOM 0 HD1 TYR A 54 -9.755 7.542 -7.918 1.00 73.31 H new ATOM 0 HD2 TYR A 54 -5.801 6.415 -9.037 1.00 64.14 H new ATOM 0 HE1 TYR A 54 -9.717 5.883 -6.108 1.00 4.51 H new ATOM 0 HE2 TYR A 54 -5.762 4.753 -7.231 1.00 55.15 H new ATOM 0 HH TYR A 54 -6.854 3.820 -5.553 1.00 54.35 H new ATOM 828 N PHE A 55 -6.621 11.175 -9.105 1.00 31.43 N ATOM 829 CA PHE A 55 -5.756 12.252 -9.568 1.00 53.35 C ATOM 830 C PHE A 55 -4.329 12.061 -9.062 1.00 40.43 C ATOM 831 O PHE A 55 -4.039 11.115 -8.331 1.00 32.14 O ATOM 832 CB PHE A 55 -6.297 13.606 -9.101 1.00 62.25 C ATOM 833 CG PHE A 55 -5.782 14.024 -7.754 1.00 35.00 C ATOM 834 CD1 PHE A 55 -5.884 13.175 -6.664 1.00 35.41 C ATOM 835 CD2 PHE A 55 -5.198 15.267 -7.577 1.00 12.53 C ATOM 836 CE1 PHE A 55 -5.412 13.557 -5.423 1.00 31.40 C ATOM 837 CE2 PHE A 55 -4.724 15.656 -6.338 1.00 23.35 C ATOM 838 CZ PHE A 55 -4.832 14.799 -5.260 1.00 20.24 C ATOM 0 H PHE A 55 -6.480 10.911 -8.130 1.00 31.43 H new ATOM 0 HA PHE A 55 -5.742 12.229 -10.658 1.00 53.35 H new ATOM 0 HB2 PHE A 55 -6.032 14.367 -9.835 1.00 62.25 H new ATOM 0 HB3 PHE A 55 -7.386 13.561 -9.067 1.00 62.25 H new ATOM 0 HD1 PHE A 55 -6.338 12.203 -6.786 1.00 35.41 H new ATOM 0 HD2 PHE A 55 -5.112 15.941 -8.417 1.00 12.53 H new ATOM 0 HE1 PHE A 55 -5.497 12.885 -4.582 1.00 31.40 H new ATOM 0 HE2 PHE A 55 -4.270 16.628 -6.213 1.00 23.35 H new ATOM 0 HZ PHE A 55 -4.463 15.100 -4.291 1.00 20.24 H new ATOM 848 N THR A 56 -3.441 12.967 -9.459 1.00 65.20 N ATOM 849 CA THR A 56 -2.044 12.898 -9.048 1.00 4.11 C ATOM 850 C THR A 56 -1.468 14.291 -8.821 1.00 51.11 C ATOM 851 O THR A 56 -2.183 15.290 -8.903 1.00 4.31 O ATOM 852 CB THR A 56 -1.185 12.165 -10.097 1.00 52.41 C ATOM 853 OG1 THR A 56 -1.063 12.967 -11.277 1.00 5.12 O ATOM 854 CG2 THR A 56 -1.799 10.819 -10.454 1.00 52.43 C ATOM 0 H THR A 56 -3.664 13.757 -10.064 1.00 65.20 H new ATOM 0 HA THR A 56 -2.017 12.340 -8.112 1.00 4.11 H new ATOM 0 HB THR A 56 -0.197 11.994 -9.670 1.00 52.41 H new ATOM 0 HG1 THR A 56 -0.514 12.495 -11.938 1.00 5.12 H new ATOM 0 HG21 THR A 56 -1.176 10.320 -11.196 1.00 52.43 H new ATOM 0 HG22 THR A 56 -1.864 10.200 -9.559 1.00 52.43 H new ATOM 0 HG23 THR A 56 -2.798 10.972 -10.863 1.00 52.43 H new ATOM 862 N LYS A 57 -0.171 14.351 -8.536 1.00 54.40 N ATOM 863 CA LYS A 57 0.502 15.622 -8.298 1.00 55.12 C ATOM 864 C LYS A 57 0.923 16.270 -9.614 1.00 34.01 C ATOM 865 O LYS A 57 1.798 15.763 -10.313 1.00 44.22 O ATOM 866 CB LYS A 57 1.727 15.414 -7.405 1.00 11.43 C ATOM 867 CG LYS A 57 1.469 14.497 -6.223 1.00 41.10 C ATOM 868 CD LYS A 57 2.062 15.058 -4.941 1.00 43.21 C ATOM 869 CE LYS A 57 3.576 15.179 -5.034 1.00 22.02 C ATOM 870 NZ LYS A 57 4.238 14.859 -3.738 1.00 40.22 N ATOM 0 H LYS A 57 0.435 13.533 -8.464 1.00 54.40 H new ATOM 0 HA LYS A 57 -0.199 16.287 -7.794 1.00 55.12 H new ATOM 0 HB2 LYS A 57 2.537 15.000 -8.005 1.00 11.43 H new ATOM 0 HB3 LYS A 57 2.066 16.382 -7.036 1.00 11.43 H new ATOM 0 HG2 LYS A 57 0.395 14.357 -6.097 1.00 41.10 H new ATOM 0 HG3 LYS A 57 1.897 13.515 -6.423 1.00 41.10 H new ATOM 0 HD2 LYS A 57 1.629 16.037 -4.737 1.00 43.21 H new ATOM 0 HD3 LYS A 57 1.798 14.412 -4.104 1.00 43.21 H new ATOM 0 HE2 LYS A 57 3.947 14.507 -5.807 1.00 22.02 H new ATOM 0 HE3 LYS A 57 3.842 16.192 -5.337 1.00 22.02 H new ATOM 0 HZ1 LYS A 57 5.269 14.953 -3.842 1.00 40.22 H new ATOM 0 HZ2 LYS A 57 3.903 15.517 -3.005 1.00 40.22 H new ATOM 0 HZ3 LYS A 57 4.005 13.884 -3.461 1.00 40.22 H new ATOM 884 N GLY A 58 0.292 17.393 -9.944 1.00 24.02 N ATOM 885 CA GLY A 58 0.616 18.092 -11.174 1.00 23.14 C ATOM 886 C GLY A 58 -0.563 18.171 -12.123 1.00 71.04 C ATOM 887 O GLY A 58 -0.394 18.439 -13.312 1.00 11.33 O ATOM 0 H GLY A 58 -0.438 17.831 -9.382 1.00 24.02 H new ATOM 0 HA2 GLY A 58 0.956 19.100 -10.937 1.00 23.14 H new ATOM 0 HA3 GLY A 58 1.444 17.585 -11.669 1.00 23.14 H new ATOM 891 N MET A 59 -1.760 17.934 -11.598 1.00 10.13 N ATOM 892 CA MET A 59 -2.972 17.980 -12.407 1.00 72.04 C ATOM 893 C MET A 59 -3.971 18.981 -11.836 1.00 64.20 C ATOM 894 O MET A 59 -5.070 19.144 -12.364 1.00 54.30 O ATOM 895 CB MET A 59 -3.612 16.592 -12.486 1.00 4.52 C ATOM 896 CG MET A 59 -2.796 15.592 -13.288 1.00 70.21 C ATOM 897 SD MET A 59 -3.312 15.500 -15.013 1.00 52.53 S ATOM 898 CE MET A 59 -4.488 14.151 -14.944 1.00 41.23 C ATOM 0 H MET A 59 -1.917 17.708 -10.616 1.00 10.13 H new ATOM 0 HA MET A 59 -2.695 18.303 -13.411 1.00 72.04 H new ATOM 0 HB2 MET A 59 -3.752 16.207 -11.476 1.00 4.52 H new ATOM 0 HB3 MET A 59 -4.602 16.682 -12.933 1.00 4.52 H new ATOM 0 HG2 MET A 59 -1.743 15.868 -13.242 1.00 70.21 H new ATOM 0 HG3 MET A 59 -2.887 14.606 -12.832 1.00 70.21 H new ATOM 0 HE1 MET A 59 -4.896 13.973 -15.939 1.00 41.23 H new ATOM 0 HE2 MET A 59 -3.987 13.250 -14.590 1.00 41.23 H new ATOM 0 HE3 MET A 59 -5.297 14.408 -14.261 1.00 41.23 H new ATOM 908 N MET A 60 -3.581 19.649 -10.755 1.00 24.23 N ATOM 909 CA MET A 60 -4.442 20.634 -10.113 1.00 10.11 C ATOM 910 C MET A 60 -3.661 21.899 -9.771 1.00 44.34 C ATOM 911 O MET A 60 -2.520 22.071 -10.201 1.00 25.25 O ATOM 912 CB MET A 60 -5.067 20.048 -8.845 1.00 50.43 C ATOM 913 CG MET A 60 -5.784 18.728 -9.075 1.00 23.21 C ATOM 914 SD MET A 60 -7.426 18.943 -9.786 1.00 73.33 S ATOM 915 CE MET A 60 -7.597 17.420 -10.712 1.00 72.12 C ATOM 0 H MET A 60 -2.674 19.526 -10.306 1.00 24.23 H new ATOM 0 HA MET A 60 -5.236 20.896 -10.813 1.00 10.11 H new ATOM 0 HB2 MET A 60 -4.286 19.903 -8.099 1.00 50.43 H new ATOM 0 HB3 MET A 60 -5.773 20.768 -8.431 1.00 50.43 H new ATOM 0 HG2 MET A 60 -5.184 18.104 -9.738 1.00 23.21 H new ATOM 0 HG3 MET A 60 -5.870 18.196 -8.128 1.00 23.21 H new ATOM 0 HE1 MET A 60 -8.566 17.404 -11.210 1.00 72.12 H new ATOM 0 HE2 MET A 60 -6.804 17.357 -11.458 1.00 72.12 H new ATOM 0 HE3 MET A 60 -7.525 16.571 -10.032 1.00 72.12 H new ATOM 925 N VAL A 61 -4.282 22.782 -8.997 1.00 34.11 N ATOM 926 CA VAL A 61 -3.644 24.031 -8.597 1.00 54.43 C ATOM 927 C VAL A 61 -3.045 23.919 -7.200 1.00 74.43 C ATOM 928 O VAL A 61 -3.275 22.939 -6.490 1.00 44.34 O ATOM 929 CB VAL A 61 -4.643 25.204 -8.623 1.00 30.01 C ATOM 930 CG1 VAL A 61 -5.318 25.301 -9.982 1.00 51.43 C ATOM 931 CG2 VAL A 61 -5.674 25.050 -7.515 1.00 42.11 C ATOM 0 H VAL A 61 -5.227 22.656 -8.634 1.00 34.11 H new ATOM 0 HA VAL A 61 -2.848 24.225 -9.316 1.00 54.43 H new ATOM 0 HB VAL A 61 -4.094 26.130 -8.451 1.00 30.01 H new ATOM 0 HG11 VAL A 61 -6.020 26.135 -9.981 1.00 51.43 H new ATOM 0 HG12 VAL A 61 -4.564 25.462 -10.752 1.00 51.43 H new ATOM 0 HG13 VAL A 61 -5.855 24.375 -10.188 1.00 51.43 H new ATOM 0 HG21 VAL A 61 -6.371 25.887 -7.548 1.00 42.11 H new ATOM 0 HG22 VAL A 61 -6.220 24.117 -7.653 1.00 42.11 H new ATOM 0 HG23 VAL A 61 -5.170 25.036 -6.549 1.00 42.11 H new ATOM 941 N LYS A 62 -2.275 24.929 -6.810 1.00 1.53 N ATOM 942 CA LYS A 62 -1.642 24.947 -5.496 1.00 55.32 C ATOM 943 C LYS A 62 -2.686 24.857 -4.388 1.00 13.41 C ATOM 944 O LYS A 62 -2.678 23.939 -3.568 1.00 51.42 O ATOM 945 CB LYS A 62 -0.810 26.220 -5.326 1.00 1.43 C ATOM 946 CG LYS A 62 -0.742 26.713 -3.891 1.00 3.42 C ATOM 947 CD LYS A 62 0.348 27.758 -3.712 1.00 2.12 C ATOM 948 CE LYS A 62 0.119 28.594 -2.463 1.00 3.34 C ATOM 949 NZ LYS A 62 1.308 29.423 -2.124 1.00 3.31 N ATOM 0 H LYS A 62 -2.074 25.747 -7.386 1.00 1.53 H new ATOM 0 HA LYS A 62 -0.986 24.079 -5.424 1.00 55.32 H new ATOM 0 HB2 LYS A 62 0.202 26.034 -5.686 1.00 1.43 H new ATOM 0 HB3 LYS A 62 -1.232 27.006 -5.952 1.00 1.43 H new ATOM 0 HG2 LYS A 62 -1.705 27.137 -3.605 1.00 3.42 H new ATOM 0 HG3 LYS A 62 -0.554 25.871 -3.225 1.00 3.42 H new ATOM 0 HD2 LYS A 62 1.318 27.266 -3.649 1.00 2.12 H new ATOM 0 HD3 LYS A 62 0.377 28.408 -4.586 1.00 2.12 H new ATOM 0 HE2 LYS A 62 -0.744 29.242 -2.613 1.00 3.34 H new ATOM 0 HE3 LYS A 62 -0.117 27.938 -1.625 1.00 3.34 H new ATOM 0 HZ1 LYS A 62 1.111 29.978 -1.267 1.00 3.31 H new ATOM 0 HZ2 LYS A 62 2.126 28.804 -1.955 1.00 3.31 H new ATOM 0 HZ3 LYS A 62 1.518 30.067 -2.913 1.00 3.31 H new ATOM 963 N PRO A 63 -3.609 25.831 -4.362 1.00 60.00 N ATOM 964 CA PRO A 63 -4.678 25.882 -3.361 1.00 60.13 C ATOM 965 C PRO A 63 -5.709 24.776 -3.556 1.00 52.53 C ATOM 966 O PRO A 63 -6.915 25.026 -3.535 1.00 11.33 O ATOM 967 CB PRO A 63 -5.315 27.255 -3.592 1.00 33.12 C ATOM 968 CG PRO A 63 -5.018 27.575 -5.017 1.00 0.14 C ATOM 969 CD PRO A 63 -3.679 26.956 -5.310 1.00 24.12 C ATOM 0 HA PRO A 63 -4.297 25.739 -2.350 1.00 60.13 H new ATOM 0 HB2 PRO A 63 -6.389 27.229 -3.407 1.00 33.12 H new ATOM 0 HB3 PRO A 63 -4.894 28.005 -2.922 1.00 33.12 H new ATOM 0 HG2 PRO A 63 -5.787 27.172 -5.676 1.00 0.14 H new ATOM 0 HG3 PRO A 63 -4.993 28.653 -5.178 1.00 0.14 H new ATOM 0 HD2 PRO A 63 -3.611 26.616 -6.343 1.00 24.12 H new ATOM 0 HD3 PRO A 63 -2.866 27.665 -5.154 1.00 24.12 H new ATOM 977 N PHE A 64 -5.229 23.552 -3.748 1.00 41.51 N ATOM 978 CA PHE A 64 -6.109 22.407 -3.948 1.00 54.21 C ATOM 979 C PHE A 64 -5.333 21.098 -3.837 1.00 71.30 C ATOM 980 O PHE A 64 -5.631 20.259 -2.987 1.00 41.44 O ATOM 981 CB PHE A 64 -6.791 22.495 -5.315 1.00 62.02 C ATOM 982 CG PHE A 64 -7.673 21.318 -5.621 1.00 4.40 C ATOM 983 CD1 PHE A 64 -7.137 20.149 -6.139 1.00 3.52 C ATOM 984 CD2 PHE A 64 -9.038 21.379 -5.391 1.00 0.43 C ATOM 985 CE1 PHE A 64 -7.947 19.066 -6.422 1.00 41.31 C ATOM 986 CE2 PHE A 64 -9.852 20.299 -5.672 1.00 33.03 C ATOM 987 CZ PHE A 64 -9.306 19.140 -6.187 1.00 63.41 C ATOM 0 H PHE A 64 -4.234 23.327 -3.769 1.00 41.51 H new ATOM 0 HA PHE A 64 -6.870 22.424 -3.168 1.00 54.21 H new ATOM 0 HB2 PHE A 64 -7.387 23.406 -5.357 1.00 62.02 H new ATOM 0 HB3 PHE A 64 -6.028 22.578 -6.089 1.00 62.02 H new ATOM 0 HD1 PHE A 64 -6.075 20.084 -6.323 1.00 3.52 H new ATOM 0 HD2 PHE A 64 -9.471 22.282 -4.987 1.00 0.43 H new ATOM 0 HE1 PHE A 64 -7.517 18.162 -6.827 1.00 41.31 H new ATOM 0 HE2 PHE A 64 -10.915 20.361 -5.489 1.00 33.03 H new ATOM 0 HZ PHE A 64 -9.940 18.293 -6.406 1.00 63.41 H new ATOM 997 N GLU A 65 -4.339 20.931 -4.703 1.00 2.44 N ATOM 998 CA GLU A 65 -3.521 19.723 -4.702 1.00 42.53 C ATOM 999 C GLU A 65 -2.984 19.430 -3.305 1.00 31.35 C ATOM 1000 O GLU A 65 -3.069 18.301 -2.821 1.00 24.03 O ATOM 1001 CB GLU A 65 -2.359 19.868 -5.687 1.00 62.21 C ATOM 1002 CG GLU A 65 -1.459 18.644 -5.751 1.00 15.23 C ATOM 1003 CD GLU A 65 -2.006 17.568 -6.668 1.00 22.32 C ATOM 1004 OE1 GLU A 65 -2.513 17.915 -7.755 1.00 42.23 O ATOM 1005 OE2 GLU A 65 -1.926 16.377 -6.300 1.00 0.24 O ATOM 0 H GLU A 65 -4.080 21.616 -5.414 1.00 2.44 H new ATOM 0 HA GLU A 65 -4.150 18.889 -5.012 1.00 42.53 H new ATOM 0 HB2 GLU A 65 -2.759 20.067 -6.681 1.00 62.21 H new ATOM 0 HB3 GLU A 65 -1.761 20.734 -5.405 1.00 62.21 H new ATOM 0 HG2 GLU A 65 -0.469 18.943 -6.097 1.00 15.23 H new ATOM 0 HG3 GLU A 65 -1.336 18.234 -4.748 1.00 15.23 H new ATOM 1012 N ASP A 66 -2.433 20.454 -2.662 1.00 31.45 N ATOM 1013 CA ASP A 66 -1.884 20.307 -1.320 1.00 2.55 C ATOM 1014 C ASP A 66 -2.899 19.659 -0.384 1.00 35.24 C ATOM 1015 O ASP A 66 -2.582 18.707 0.329 1.00 43.30 O ATOM 1016 CB ASP A 66 -1.459 21.668 -0.767 1.00 54.50 C ATOM 1017 CG ASP A 66 -0.530 21.546 0.424 1.00 1.44 C ATOM 1018 OD1 ASP A 66 -0.745 20.638 1.253 1.00 34.44 O ATOM 1019 OD2 ASP A 66 0.412 22.359 0.528 1.00 2.33 O ATOM 0 H ASP A 66 -2.355 21.395 -3.049 1.00 31.45 H new ATOM 0 HA ASP A 66 -1.009 19.659 -1.382 1.00 2.55 H new ATOM 0 HB2 ASP A 66 -0.964 22.237 -1.553 1.00 54.50 H new ATOM 0 HB3 ASP A 66 -2.346 22.231 -0.476 1.00 54.50 H new ATOM 1024 N ALA A 67 -4.121 20.182 -0.392 1.00 2.15 N ATOM 1025 CA ALA A 67 -5.183 19.654 0.456 1.00 74.13 C ATOM 1026 C ALA A 67 -6.076 18.691 -0.320 1.00 0.35 C ATOM 1027 O ALA A 67 -7.285 18.633 -0.095 1.00 13.23 O ATOM 1028 CB ALA A 67 -6.009 20.791 1.037 1.00 31.03 C ATOM 0 H ALA A 67 -4.400 20.970 -0.976 1.00 2.15 H new ATOM 0 HA ALA A 67 -4.721 19.101 1.274 1.00 74.13 H new ATOM 0 HB1 ALA A 67 -6.798 20.382 1.668 1.00 31.03 H new ATOM 0 HB2 ALA A 67 -5.367 21.439 1.633 1.00 31.03 H new ATOM 0 HB3 ALA A 67 -6.455 21.368 0.227 1.00 31.03 H new ATOM 1034 N ALA A 68 -5.474 17.939 -1.235 1.00 20.24 N ATOM 1035 CA ALA A 68 -6.215 16.978 -2.043 1.00 11.51 C ATOM 1036 C ALA A 68 -5.846 15.547 -1.670 1.00 4.14 C ATOM 1037 O ALA A 68 -6.608 14.613 -1.921 1.00 1.33 O ATOM 1038 CB ALA A 68 -5.958 17.224 -3.522 1.00 63.03 C ATOM 0 H ALA A 68 -4.475 17.977 -1.436 1.00 20.24 H new ATOM 0 HA ALA A 68 -7.278 17.114 -1.843 1.00 11.51 H new ATOM 0 HB1 ALA A 68 -6.517 16.499 -4.114 1.00 63.03 H new ATOM 0 HB2 ALA A 68 -6.279 18.232 -3.784 1.00 63.03 H new ATOM 0 HB3 ALA A 68 -4.893 17.117 -3.729 1.00 63.03 H new ATOM 1044 N PHE A 69 -4.672 15.380 -1.070 1.00 3.31 N ATOM 1045 CA PHE A 69 -4.201 14.061 -0.663 1.00 54.44 C ATOM 1046 C PHE A 69 -3.753 14.068 0.796 1.00 54.42 C ATOM 1047 O PHE A 69 -3.257 13.066 1.310 1.00 15.53 O ATOM 1048 CB PHE A 69 -3.046 13.611 -1.561 1.00 34.42 C ATOM 1049 CG PHE A 69 -2.038 14.691 -1.828 1.00 20.34 C ATOM 1050 CD1 PHE A 69 -1.352 15.291 -0.784 1.00 15.52 C ATOM 1051 CD2 PHE A 69 -1.774 15.105 -3.124 1.00 11.55 C ATOM 1052 CE1 PHE A 69 -0.425 16.286 -1.027 1.00 63.33 C ATOM 1053 CE2 PHE A 69 -0.847 16.100 -3.373 1.00 61.03 C ATOM 1054 CZ PHE A 69 -0.171 16.690 -2.324 1.00 71.41 C ATOM 0 H PHE A 69 -4.029 16.142 -0.855 1.00 3.31 H new ATOM 0 HA PHE A 69 -5.029 13.359 -0.766 1.00 54.44 H new ATOM 0 HB2 PHE A 69 -2.543 12.763 -1.095 1.00 34.42 H new ATOM 0 HB3 PHE A 69 -3.450 13.260 -2.510 1.00 34.42 H new ATOM 0 HD1 PHE A 69 -1.544 14.977 0.231 1.00 15.52 H new ATOM 0 HD2 PHE A 69 -2.298 14.645 -3.949 1.00 11.55 H new ATOM 0 HE1 PHE A 69 0.101 16.748 -0.204 1.00 63.33 H new ATOM 0 HE2 PHE A 69 -0.652 16.415 -4.387 1.00 61.03 H new ATOM 0 HZ PHE A 69 0.555 17.466 -2.517 1.00 71.41 H new ATOM 1064 N LYS A 70 -3.932 15.207 1.456 1.00 3.24 N ATOM 1065 CA LYS A 70 -3.548 15.348 2.856 1.00 72.20 C ATOM 1066 C LYS A 70 -4.731 15.063 3.776 1.00 23.34 C ATOM 1067 O LYS A 70 -4.622 15.174 4.998 1.00 24.54 O ATOM 1068 CB LYS A 70 -3.011 16.756 3.121 1.00 55.31 C ATOM 1069 CG LYS A 70 -4.093 17.761 3.482 1.00 4.01 C ATOM 1070 CD LYS A 70 -3.541 19.176 3.541 1.00 54.11 C ATOM 1071 CE LYS A 70 -2.370 19.278 4.506 1.00 51.33 C ATOM 1072 NZ LYS A 70 -2.534 20.411 5.459 1.00 13.12 N ATOM 0 H LYS A 70 -4.341 16.046 1.044 1.00 3.24 H new ATOM 0 HA LYS A 70 -2.763 14.621 3.066 1.00 72.20 H new ATOM 0 HB2 LYS A 70 -2.283 16.712 3.931 1.00 55.31 H new ATOM 0 HB3 LYS A 70 -2.482 17.107 2.235 1.00 55.31 H new ATOM 0 HG2 LYS A 70 -4.896 17.713 2.746 1.00 4.01 H new ATOM 0 HG3 LYS A 70 -4.528 17.498 4.446 1.00 4.01 H new ATOM 0 HD2 LYS A 70 -3.221 19.485 2.546 1.00 54.11 H new ATOM 0 HD3 LYS A 70 -4.329 19.863 3.850 1.00 54.11 H new ATOM 0 HE2 LYS A 70 -2.276 18.346 5.063 1.00 51.33 H new ATOM 0 HE3 LYS A 70 -1.446 19.408 3.943 1.00 51.33 H new ATOM 0 HZ1 LYS A 70 -1.716 20.447 6.100 1.00 13.12 H new ATOM 0 HZ2 LYS A 70 -2.598 21.304 4.929 1.00 13.12 H new ATOM 0 HZ3 LYS A 70 -3.403 20.275 6.014 1.00 13.12 H new ATOM 1086 N LEU A 71 -5.860 14.693 3.183 1.00 73.14 N ATOM 1087 CA LEU A 71 -7.064 14.389 3.949 1.00 52.35 C ATOM 1088 C LEU A 71 -7.082 12.926 4.378 1.00 74.13 C ATOM 1089 O LEU A 71 -6.108 12.200 4.180 1.00 63.21 O ATOM 1090 CB LEU A 71 -8.312 14.706 3.123 1.00 3.32 C ATOM 1091 CG LEU A 71 -8.208 15.908 2.184 1.00 43.21 C ATOM 1092 CD1 LEU A 71 -9.413 15.968 1.258 1.00 64.35 C ATOM 1093 CD2 LEU A 71 -8.083 17.198 2.982 1.00 42.53 C ATOM 0 H LEU A 71 -5.967 14.596 2.173 1.00 73.14 H new ATOM 0 HA LEU A 71 -7.061 15.011 4.844 1.00 52.35 H new ATOM 0 HB2 LEU A 71 -8.563 13.827 2.529 1.00 3.32 H new ATOM 0 HB3 LEU A 71 -9.143 14.876 3.808 1.00 3.32 H new ATOM 0 HG LEU A 71 -7.312 15.792 1.574 1.00 43.21 H new ATOM 0 HD11 LEU A 71 -9.321 16.830 0.597 1.00 64.35 H new ATOM 0 HD12 LEU A 71 -9.459 15.057 0.662 1.00 64.35 H new ATOM 0 HD13 LEU A 71 -10.323 16.060 1.851 1.00 64.35 H new ATOM 0 HD21 LEU A 71 -8.010 18.043 2.298 1.00 42.53 H new ATOM 0 HD22 LEU A 71 -8.961 17.320 3.617 1.00 42.53 H new ATOM 0 HD23 LEU A 71 -7.189 17.156 3.604 1.00 42.53 H new ATOM 1105 N GLN A 72 -8.197 12.499 4.962 1.00 11.41 N ATOM 1106 CA GLN A 72 -8.342 11.121 5.417 1.00 3.34 C ATOM 1107 C GLN A 72 -9.227 10.324 4.465 1.00 24.12 C ATOM 1108 O GLN A 72 -9.702 10.848 3.457 1.00 60.41 O ATOM 1109 CB GLN A 72 -8.929 11.086 6.828 1.00 14.43 C ATOM 1110 CG GLN A 72 -7.894 10.840 7.913 1.00 33.21 C ATOM 1111 CD GLN A 72 -7.066 9.595 7.658 1.00 52.41 C ATOM 1112 OE1 GLN A 72 -7.563 8.605 7.121 1.00 3.24 O ATOM 1113 NE2 GLN A 72 -5.796 9.640 8.042 1.00 43.31 N ATOM 0 H GLN A 72 -9.013 13.087 5.131 1.00 11.41 H new ATOM 0 HA GLN A 72 -7.352 10.664 5.432 1.00 3.34 H new ATOM 0 HB2 GLN A 72 -9.433 12.032 7.026 1.00 14.43 H new ATOM 0 HB3 GLN A 72 -9.687 10.305 6.877 1.00 14.43 H new ATOM 0 HG2 GLN A 72 -7.233 11.704 7.982 1.00 33.21 H new ATOM 0 HG3 GLN A 72 -8.397 10.746 8.875 1.00 33.21 H new ATOM 0 HE21 GLN A 72 -5.426 10.482 8.483 1.00 43.31 H new ATOM 0 HE22 GLN A 72 -5.190 8.833 7.896 1.00 43.31 H new ATOM 1122 N VAL A 73 -9.444 9.053 4.790 1.00 3.51 N ATOM 1123 CA VAL A 73 -10.273 8.184 3.964 1.00 4.22 C ATOM 1124 C VAL A 73 -11.753 8.499 4.148 1.00 71.03 C ATOM 1125 O VAL A 73 -12.421 7.921 5.004 1.00 23.24 O ATOM 1126 CB VAL A 73 -10.030 6.699 4.294 1.00 33.22 C ATOM 1127 CG1 VAL A 73 -10.131 6.461 5.794 1.00 55.44 C ATOM 1128 CG2 VAL A 73 -11.015 5.818 3.541 1.00 41.35 C ATOM 0 H VAL A 73 -9.057 8.603 5.619 1.00 3.51 H new ATOM 0 HA VAL A 73 -9.992 8.369 2.927 1.00 4.22 H new ATOM 0 HB VAL A 73 -9.022 6.435 3.975 1.00 33.22 H new ATOM 0 HG11 VAL A 73 -9.956 5.406 6.008 1.00 55.44 H new ATOM 0 HG12 VAL A 73 -9.383 7.064 6.309 1.00 55.44 H new ATOM 0 HG13 VAL A 73 -11.126 6.742 6.141 1.00 55.44 H new ATOM 0 HG21 VAL A 73 -10.829 4.772 3.786 1.00 41.35 H new ATOM 0 HG22 VAL A 73 -12.033 6.082 3.828 1.00 41.35 H new ATOM 0 HG23 VAL A 73 -10.890 5.967 2.468 1.00 41.35 H new ATOM 1138 N GLY A 74 -12.261 9.422 3.335 1.00 33.41 N ATOM 1139 CA GLY A 74 -13.659 9.798 3.424 1.00 72.35 C ATOM 1140 C GLY A 74 -13.867 11.080 4.206 1.00 22.00 C ATOM 1141 O GLY A 74 -14.966 11.348 4.689 1.00 35.23 O ATOM 0 H GLY A 74 -11.729 9.915 2.618 1.00 33.41 H new ATOM 0 HA2 GLY A 74 -14.064 9.919 2.419 1.00 72.35 H new ATOM 0 HA3 GLY A 74 -14.219 8.992 3.898 1.00 72.35 H new ATOM 1145 N GLU A 75 -12.807 11.872 4.332 1.00 73.15 N ATOM 1146 CA GLU A 75 -12.878 13.131 5.064 1.00 53.33 C ATOM 1147 C GLU A 75 -12.971 14.314 4.103 1.00 34.02 C ATOM 1148 O GLU A 75 -12.556 14.224 2.948 1.00 15.10 O ATOM 1149 CB GLU A 75 -11.656 13.290 5.970 1.00 42.21 C ATOM 1150 CG GLU A 75 -11.947 14.042 7.258 1.00 24.24 C ATOM 1151 CD GLU A 75 -11.736 15.537 7.122 1.00 33.03 C ATOM 1152 OE1 GLU A 75 -10.732 15.939 6.499 1.00 2.24 O ATOM 1153 OE2 GLU A 75 -12.575 16.304 7.639 1.00 42.43 O ATOM 0 H GLU A 75 -11.890 11.664 3.937 1.00 73.15 H new ATOM 0 HA GLU A 75 -13.777 13.114 5.680 1.00 53.33 H new ATOM 0 HB2 GLU A 75 -11.266 12.302 6.216 1.00 42.21 H new ATOM 0 HB3 GLU A 75 -10.873 13.815 5.422 1.00 42.21 H new ATOM 0 HG2 GLU A 75 -12.976 13.850 7.561 1.00 24.24 H new ATOM 0 HG3 GLU A 75 -11.304 13.659 8.051 1.00 24.24 H new ATOM 1160 N VAL A 76 -13.519 15.423 4.591 1.00 51.54 N ATOM 1161 CA VAL A 76 -13.666 16.624 3.777 1.00 20.01 C ATOM 1162 C VAL A 76 -12.611 17.664 4.138 1.00 15.31 C ATOM 1163 O VAL A 76 -12.326 17.893 5.314 1.00 71.13 O ATOM 1164 CB VAL A 76 -15.064 17.247 3.945 1.00 12.22 C ATOM 1165 CG1 VAL A 76 -15.211 18.474 3.058 1.00 15.52 C ATOM 1166 CG2 VAL A 76 -16.144 16.222 3.635 1.00 13.20 C ATOM 0 H VAL A 76 -13.868 15.514 5.545 1.00 51.54 H new ATOM 0 HA VAL A 76 -13.534 16.322 2.738 1.00 20.01 H new ATOM 0 HB VAL A 76 -15.181 17.562 4.982 1.00 12.22 H new ATOM 0 HG11 VAL A 76 -16.205 18.901 3.190 1.00 15.52 H new ATOM 0 HG12 VAL A 76 -14.459 19.214 3.333 1.00 15.52 H new ATOM 0 HG13 VAL A 76 -15.074 18.188 2.015 1.00 15.52 H new ATOM 0 HG21 VAL A 76 -17.126 16.679 3.759 1.00 13.20 H new ATOM 0 HG22 VAL A 76 -16.032 15.875 2.608 1.00 13.20 H new ATOM 0 HG23 VAL A 76 -16.049 15.376 4.316 1.00 13.20 H new ATOM 1176 N SER A 77 -12.035 18.292 3.118 1.00 63.05 N ATOM 1177 CA SER A 77 -11.008 19.307 3.327 1.00 60.04 C ATOM 1178 C SER A 77 -11.638 20.657 3.654 1.00 1.13 C ATOM 1179 O SER A 77 -12.846 20.842 3.509 1.00 4.23 O ATOM 1180 CB SER A 77 -10.125 19.431 2.085 1.00 42.43 C ATOM 1181 OG SER A 77 -8.864 19.990 2.409 1.00 2.32 O ATOM 0 H SER A 77 -12.262 18.116 2.139 1.00 63.05 H new ATOM 0 HA SER A 77 -10.393 18.998 4.172 1.00 60.04 H new ATOM 0 HB2 SER A 77 -9.986 18.448 1.635 1.00 42.43 H new ATOM 0 HB3 SER A 77 -10.623 20.054 1.342 1.00 42.43 H new ATOM 0 HG SER A 77 -8.859 20.942 2.177 1.00 2.32 H new ATOM 1187 N GLU A 78 -10.810 21.598 4.096 1.00 20.24 N ATOM 1188 CA GLU A 78 -11.285 22.932 4.446 1.00 20.20 C ATOM 1189 C GLU A 78 -11.556 23.759 3.193 1.00 72.45 C ATOM 1190 O GLU A 78 -11.036 23.481 2.111 1.00 21.01 O ATOM 1191 CB GLU A 78 -10.262 23.647 5.331 1.00 63.22 C ATOM 1192 CG GLU A 78 -9.068 24.190 4.563 1.00 12.40 C ATOM 1193 CD GLU A 78 -8.090 24.931 5.455 1.00 64.44 C ATOM 1194 OE1 GLU A 78 -8.546 25.629 6.384 1.00 20.51 O ATOM 1195 OE2 GLU A 78 -6.869 24.812 5.223 1.00 64.22 O ATOM 0 H GLU A 78 -9.807 21.462 4.220 1.00 20.24 H new ATOM 0 HA GLU A 78 -12.219 22.824 4.998 1.00 20.20 H new ATOM 0 HB2 GLU A 78 -10.754 24.470 5.850 1.00 63.22 H new ATOM 0 HB3 GLU A 78 -9.908 22.955 6.095 1.00 63.22 H new ATOM 0 HG2 GLU A 78 -8.552 23.366 4.070 1.00 12.40 H new ATOM 0 HG3 GLU A 78 -9.419 24.861 3.779 1.00 12.40 H new ATOM 1202 N PRO A 79 -12.391 24.798 3.339 1.00 4.20 N ATOM 1203 CA PRO A 79 -12.751 25.687 2.230 1.00 60.13 C ATOM 1204 C PRO A 79 -11.583 26.561 1.785 1.00 23.10 C ATOM 1205 O PRO A 79 -11.437 27.695 2.239 1.00 1.53 O ATOM 1206 CB PRO A 79 -13.871 26.549 2.815 1.00 41.11 C ATOM 1207 CG PRO A 79 -13.630 26.537 4.285 1.00 22.43 C ATOM 1208 CD PRO A 79 -13.047 25.186 4.599 1.00 55.55 C ATOM 0 HA PRO A 79 -13.044 25.130 1.340 1.00 60.13 H new ATOM 0 HB2 PRO A 79 -13.839 27.563 2.417 1.00 41.11 H new ATOM 0 HB3 PRO A 79 -14.852 26.142 2.571 1.00 41.11 H new ATOM 0 HG2 PRO A 79 -12.945 27.334 4.575 1.00 22.43 H new ATOM 0 HG3 PRO A 79 -14.558 26.699 4.834 1.00 22.43 H new ATOM 0 HD2 PRO A 79 -12.336 25.237 5.424 1.00 55.55 H new ATOM 0 HD3 PRO A 79 -13.819 24.472 4.887 1.00 55.55 H new ATOM 1216 N ILE A 80 -10.754 26.025 0.895 1.00 34.10 N ATOM 1217 CA ILE A 80 -9.600 26.758 0.389 1.00 55.33 C ATOM 1218 C ILE A 80 -10.027 27.839 -0.599 1.00 22.33 C ATOM 1219 O ILE A 80 -10.533 27.543 -1.681 1.00 72.21 O ATOM 1220 CB ILE A 80 -8.594 25.817 -0.300 1.00 20.32 C ATOM 1221 CG1 ILE A 80 -8.307 24.605 0.587 1.00 24.14 C ATOM 1222 CG2 ILE A 80 -7.308 26.562 -0.622 1.00 63.23 C ATOM 1223 CD1 ILE A 80 -7.557 24.948 1.856 1.00 0.42 C ATOM 0 H ILE A 80 -10.860 25.086 0.510 1.00 34.10 H new ATOM 0 HA ILE A 80 -9.119 27.224 1.249 1.00 55.33 H new ATOM 0 HB ILE A 80 -9.030 25.464 -1.235 1.00 20.32 H new ATOM 0 HG12 ILE A 80 -9.250 24.126 0.850 1.00 24.14 H new ATOM 0 HG13 ILE A 80 -7.728 23.877 0.018 1.00 24.14 H new ATOM 0 HG21 ILE A 80 -6.607 25.884 -1.109 1.00 63.23 H new ATOM 0 HG22 ILE A 80 -7.528 27.396 -1.288 1.00 63.23 H new ATOM 0 HG23 ILE A 80 -6.866 26.941 0.300 1.00 63.23 H new ATOM 0 HD11 ILE A 80 -7.388 24.040 2.436 1.00 0.42 H new ATOM 0 HD12 ILE A 80 -6.598 25.399 1.601 1.00 0.42 H new ATOM 0 HD13 ILE A 80 -8.144 25.652 2.446 1.00 0.42 H new ATOM 1235 N LYS A 81 -9.815 29.095 -0.220 1.00 34.00 N ATOM 1236 CA LYS A 81 -10.173 30.222 -1.072 1.00 55.54 C ATOM 1237 C LYS A 81 -9.153 30.405 -2.190 1.00 52.23 C ATOM 1238 O LYS A 81 -7.995 30.739 -1.938 1.00 60.44 O ATOM 1239 CB LYS A 81 -10.272 31.505 -0.243 1.00 32.23 C ATOM 1240 CG LYS A 81 -10.729 32.713 -1.042 1.00 22.33 C ATOM 1241 CD LYS A 81 -12.074 33.227 -0.556 1.00 51.31 C ATOM 1242 CE LYS A 81 -12.582 34.367 -1.425 1.00 2.30 C ATOM 1243 NZ LYS A 81 -12.280 35.697 -0.828 1.00 14.30 N ATOM 0 H LYS A 81 -9.397 29.358 0.672 1.00 34.00 H new ATOM 0 HA LYS A 81 -11.144 30.011 -1.521 1.00 55.54 H new ATOM 0 HB2 LYS A 81 -10.966 31.342 0.582 1.00 32.23 H new ATOM 0 HB3 LYS A 81 -9.298 31.719 0.198 1.00 32.23 H new ATOM 0 HG2 LYS A 81 -9.985 33.506 -0.962 1.00 22.33 H new ATOM 0 HG3 LYS A 81 -10.800 32.447 -2.097 1.00 22.33 H new ATOM 0 HD2 LYS A 81 -12.799 32.413 -0.561 1.00 51.31 H new ATOM 0 HD3 LYS A 81 -11.984 33.567 0.476 1.00 51.31 H new ATOM 0 HE2 LYS A 81 -12.127 34.301 -2.413 1.00 2.30 H new ATOM 0 HE3 LYS A 81 -13.659 34.267 -1.563 1.00 2.30 H new ATOM 0 HZ1 LYS A 81 -12.642 36.447 -1.450 1.00 14.30 H new ATOM 0 HZ2 LYS A 81 -12.735 35.771 0.104 1.00 14.30 H new ATOM 0 HZ3 LYS A 81 -11.251 35.804 -0.720 1.00 14.30 H new ATOM 1257 N SER A 82 -9.590 30.187 -3.427 1.00 20.11 N ATOM 1258 CA SER A 82 -8.713 30.325 -4.583 1.00 40.41 C ATOM 1259 C SER A 82 -9.350 31.217 -5.644 1.00 54.54 C ATOM 1260 O SER A 82 -10.373 31.857 -5.400 1.00 3.22 O ATOM 1261 CB SER A 82 -8.397 28.951 -5.179 1.00 14.54 C ATOM 1262 OG SER A 82 -7.296 29.021 -6.068 1.00 15.45 O ATOM 0 H SER A 82 -10.546 29.914 -3.654 1.00 20.11 H new ATOM 0 HA SER A 82 -7.785 30.790 -4.250 1.00 40.41 H new ATOM 0 HB2 SER A 82 -8.177 28.246 -4.378 1.00 14.54 H new ATOM 0 HB3 SER A 82 -9.271 28.571 -5.707 1.00 14.54 H new ATOM 0 HG SER A 82 -7.392 28.337 -6.763 1.00 15.45 H new ATOM 1268 N GLU A 83 -8.738 31.255 -6.824 1.00 24.44 N ATOM 1269 CA GLU A 83 -9.244 32.068 -7.922 1.00 44.41 C ATOM 1270 C GLU A 83 -10.601 31.558 -8.397 1.00 42.32 C ATOM 1271 O GLU A 83 -11.398 32.310 -8.958 1.00 71.11 O ATOM 1272 CB GLU A 83 -8.251 32.069 -9.086 1.00 3.55 C ATOM 1273 CG GLU A 83 -7.808 30.679 -9.509 1.00 71.12 C ATOM 1274 CD GLU A 83 -7.009 30.688 -10.797 1.00 63.14 C ATOM 1275 OE1 GLU A 83 -7.516 31.219 -11.807 1.00 12.41 O ATOM 1276 OE2 GLU A 83 -5.876 30.163 -10.797 1.00 3.25 O ATOM 0 H GLU A 83 -7.890 30.731 -7.043 1.00 24.44 H new ATOM 0 HA GLU A 83 -9.366 33.088 -7.558 1.00 44.41 H new ATOM 0 HB2 GLU A 83 -8.705 32.572 -9.940 1.00 3.55 H new ATOM 0 HB3 GLU A 83 -7.373 32.651 -8.803 1.00 3.55 H new ATOM 0 HG2 GLU A 83 -7.206 30.237 -8.715 1.00 71.12 H new ATOM 0 HG3 GLU A 83 -8.685 30.045 -9.635 1.00 71.12 H new ATOM 1283 N PHE A 84 -10.856 30.273 -8.169 1.00 50.55 N ATOM 1284 CA PHE A 84 -12.115 29.661 -8.574 1.00 70.04 C ATOM 1285 C PHE A 84 -13.129 29.694 -7.434 1.00 53.44 C ATOM 1286 O PHE A 84 -14.331 29.545 -7.652 1.00 44.25 O ATOM 1287 CB PHE A 84 -11.883 28.216 -9.023 1.00 10.34 C ATOM 1288 CG PHE A 84 -10.705 28.055 -9.940 1.00 63.33 C ATOM 1289 CD1 PHE A 84 -10.562 28.865 -11.055 1.00 34.12 C ATOM 1290 CD2 PHE A 84 -9.739 27.093 -9.688 1.00 34.02 C ATOM 1291 CE1 PHE A 84 -9.479 28.720 -11.902 1.00 32.23 C ATOM 1292 CE2 PHE A 84 -8.654 26.944 -10.531 1.00 21.43 C ATOM 1293 CZ PHE A 84 -8.524 27.757 -11.639 1.00 53.12 C ATOM 0 H PHE A 84 -10.207 29.637 -7.706 1.00 50.55 H new ATOM 0 HA PHE A 84 -12.516 30.235 -9.410 1.00 70.04 H new ATOM 0 HB2 PHE A 84 -11.736 27.590 -8.143 1.00 10.34 H new ATOM 0 HB3 PHE A 84 -12.778 27.853 -9.527 1.00 10.34 H new ATOM 0 HD1 PHE A 84 -11.306 29.619 -11.265 1.00 34.12 H new ATOM 0 HD2 PHE A 84 -9.835 26.453 -8.823 1.00 34.02 H new ATOM 0 HE1 PHE A 84 -9.380 29.358 -12.768 1.00 32.23 H new ATOM 0 HE2 PHE A 84 -7.908 26.191 -10.323 1.00 21.43 H new ATOM 0 HZ PHE A 84 -7.677 27.640 -12.299 1.00 53.12 H new ATOM 1303 N GLY A 85 -12.634 29.892 -6.217 1.00 15.23 N ATOM 1304 CA GLY A 85 -13.509 29.942 -5.060 1.00 34.21 C ATOM 1305 C GLY A 85 -13.095 28.964 -3.977 1.00 40.44 C ATOM 1306 O GLY A 85 -11.935 28.555 -3.910 1.00 53.54 O ATOM 0 H GLY A 85 -11.643 30.019 -6.011 1.00 15.23 H new ATOM 0 HA2 GLY A 85 -13.509 30.953 -4.652 1.00 34.21 H new ATOM 0 HA3 GLY A 85 -14.531 29.724 -5.371 1.00 34.21 H new ATOM 1310 N TYR A 86 -14.044 28.589 -3.127 1.00 40.34 N ATOM 1311 CA TYR A 86 -13.771 27.657 -2.040 1.00 2.20 C ATOM 1312 C TYR A 86 -13.759 26.218 -2.546 1.00 44.52 C ATOM 1313 O TYR A 86 -14.767 25.714 -3.044 1.00 43.52 O ATOM 1314 CB TYR A 86 -14.815 27.811 -0.933 1.00 53.53 C ATOM 1315 CG TYR A 86 -14.701 29.112 -0.170 1.00 34.22 C ATOM 1316 CD1 TYR A 86 -13.581 29.389 0.604 1.00 12.34 C ATOM 1317 CD2 TYR A 86 -15.714 30.062 -0.221 1.00 40.25 C ATOM 1318 CE1 TYR A 86 -13.472 30.575 1.305 1.00 54.44 C ATOM 1319 CE2 TYR A 86 -15.613 31.251 0.474 1.00 0.50 C ATOM 1320 CZ TYR A 86 -14.490 31.503 1.236 1.00 55.42 C ATOM 1321 OH TYR A 86 -14.388 32.686 1.931 1.00 3.44 O ATOM 0 H TYR A 86 -15.009 28.916 -3.170 1.00 40.34 H new ATOM 0 HA TYR A 86 -12.786 27.889 -1.636 1.00 2.20 H new ATOM 0 HB2 TYR A 86 -15.810 27.743 -1.372 1.00 53.53 H new ATOM 0 HB3 TYR A 86 -14.717 26.980 -0.234 1.00 53.53 H new ATOM 0 HD1 TYR A 86 -12.782 28.665 0.659 1.00 12.34 H new ATOM 0 HD2 TYR A 86 -16.595 29.867 -0.814 1.00 40.25 H new ATOM 0 HE1 TYR A 86 -12.595 30.774 1.903 1.00 54.44 H new ATOM 0 HE2 TYR A 86 -16.408 31.980 0.422 1.00 0.50 H new ATOM 0 HH TYR A 86 -15.056 33.320 1.597 1.00 3.44 H new ATOM 1331 N HIS A 87 -12.611 25.561 -2.414 1.00 72.05 N ATOM 1332 CA HIS A 87 -12.466 24.179 -2.857 1.00 55.12 C ATOM 1333 C HIS A 87 -12.734 23.210 -1.709 1.00 23.32 C ATOM 1334 O HIS A 87 -12.164 23.344 -0.626 1.00 4.12 O ATOM 1335 CB HIS A 87 -11.064 23.946 -3.421 1.00 33.11 C ATOM 1336 CG HIS A 87 -10.839 24.593 -4.754 1.00 35.34 C ATOM 1337 ND1 HIS A 87 -11.055 23.944 -5.951 1.00 41.11 N ATOM 1338 CD2 HIS A 87 -10.417 25.839 -5.072 1.00 33.33 C ATOM 1339 CE1 HIS A 87 -10.773 24.763 -6.949 1.00 20.43 C ATOM 1340 NE2 HIS A 87 -10.384 25.919 -6.443 1.00 22.32 N ATOM 0 H HIS A 87 -11.768 25.963 -2.004 1.00 72.05 H new ATOM 0 HA HIS A 87 -13.199 23.996 -3.642 1.00 55.12 H new ATOM 0 HB2 HIS A 87 -10.328 24.327 -2.713 1.00 33.11 H new ATOM 0 HB3 HIS A 87 -10.892 22.874 -3.513 1.00 33.11 H new ATOM 0 HD1 HIS A 87 -11.381 22.983 -6.051 1.00 41.11 H new ATOM 0 HD2 HIS A 87 -10.155 26.624 -4.378 1.00 33.33 H new ATOM 0 HE1 HIS A 87 -10.848 24.527 -8.000 1.00 20.43 H new ATOM 1348 N ILE A 88 -13.603 22.235 -1.954 1.00 11.53 N ATOM 1349 CA ILE A 88 -13.944 21.244 -0.941 1.00 42.41 C ATOM 1350 C ILE A 88 -13.584 19.838 -1.405 1.00 20.43 C ATOM 1351 O ILE A 88 -14.436 19.098 -1.896 1.00 75.44 O ATOM 1352 CB ILE A 88 -15.443 21.289 -0.592 1.00 53.53 C ATOM 1353 CG1 ILE A 88 -15.829 22.680 -0.081 1.00 62.03 C ATOM 1354 CG2 ILE A 88 -15.778 20.227 0.445 1.00 75.35 C ATOM 1355 CD1 ILE A 88 -15.136 23.063 1.207 1.00 41.31 C ATOM 0 H ILE A 88 -14.084 22.110 -2.845 1.00 11.53 H new ATOM 0 HA ILE A 88 -13.364 21.490 -0.051 1.00 42.41 H new ATOM 0 HB ILE A 88 -16.017 21.081 -1.495 1.00 53.53 H new ATOM 0 HG12 ILE A 88 -15.590 23.419 -0.846 1.00 62.03 H new ATOM 0 HG13 ILE A 88 -16.908 22.716 0.071 1.00 62.03 H new ATOM 0 HG21 ILE A 88 -16.841 20.272 0.681 1.00 75.35 H new ATOM 0 HG22 ILE A 88 -15.536 19.241 0.048 1.00 75.35 H new ATOM 0 HG23 ILE A 88 -15.197 20.406 1.350 1.00 75.35 H new ATOM 0 HD11 ILE A 88 -15.456 24.060 1.510 1.00 41.31 H new ATOM 0 HD12 ILE A 88 -15.394 22.346 1.986 1.00 41.31 H new ATOM 0 HD13 ILE A 88 -14.057 23.060 1.054 1.00 41.31 H new ATOM 1367 N ILE A 89 -12.316 19.473 -1.243 1.00 41.31 N ATOM 1368 CA ILE A 89 -11.843 18.154 -1.642 1.00 35.31 C ATOM 1369 C ILE A 89 -12.234 17.095 -0.615 1.00 54.53 C ATOM 1370 O ILE A 89 -12.046 17.282 0.587 1.00 20.40 O ATOM 1371 CB ILE A 89 -10.315 18.135 -1.826 1.00 61.41 C ATOM 1372 CG1 ILE A 89 -9.860 19.356 -2.626 1.00 53.25 C ATOM 1373 CG2 ILE A 89 -9.880 16.850 -2.516 1.00 52.44 C ATOM 1374 CD1 ILE A 89 -9.176 20.411 -1.784 1.00 62.44 C ATOM 0 H ILE A 89 -11.598 20.073 -0.838 1.00 41.31 H new ATOM 0 HA ILE A 89 -12.318 17.924 -2.596 1.00 35.31 H new ATOM 0 HB ILE A 89 -9.845 18.173 -0.843 1.00 61.41 H new ATOM 0 HG12 ILE A 89 -9.178 19.032 -3.412 1.00 53.25 H new ATOM 0 HG13 ILE A 89 -10.725 19.800 -3.118 1.00 53.25 H new ATOM 0 HG21 ILE A 89 -8.797 16.852 -2.639 1.00 52.44 H new ATOM 0 HG22 ILE A 89 -10.175 15.994 -1.910 1.00 52.44 H new ATOM 0 HG23 ILE A 89 -10.356 16.783 -3.494 1.00 52.44 H new ATOM 0 HD11 ILE A 89 -8.881 21.247 -2.418 1.00 62.44 H new ATOM 0 HD12 ILE A 89 -9.863 20.764 -1.014 1.00 62.44 H new ATOM 0 HD13 ILE A 89 -8.291 19.983 -1.312 1.00 62.44 H new ATOM 1386 N LYS A 90 -12.779 15.984 -1.097 1.00 61.04 N ATOM 1387 CA LYS A 90 -13.195 14.893 -0.223 1.00 42.15 C ATOM 1388 C LYS A 90 -12.755 13.546 -0.788 1.00 4.54 C ATOM 1389 O LYS A 90 -13.139 13.172 -1.895 1.00 74.44 O ATOM 1390 CB LYS A 90 -14.714 14.910 -0.040 1.00 24.13 C ATOM 1391 CG LYS A 90 -15.229 13.800 0.860 1.00 14.41 C ATOM 1392 CD LYS A 90 -16.714 13.555 0.647 1.00 31.44 C ATOM 1393 CE LYS A 90 -17.134 12.189 1.170 1.00 64.32 C ATOM 1394 NZ LYS A 90 -18.554 11.883 0.846 1.00 11.43 N ATOM 0 H LYS A 90 -12.943 15.815 -2.089 1.00 61.04 H new ATOM 0 HA LYS A 90 -12.717 15.034 0.746 1.00 42.15 H new ATOM 0 HB2 LYS A 90 -15.011 15.872 0.377 1.00 24.13 H new ATOM 0 HB3 LYS A 90 -15.191 14.825 -1.017 1.00 24.13 H new ATOM 0 HG2 LYS A 90 -14.675 12.882 0.661 1.00 14.41 H new ATOM 0 HG3 LYS A 90 -15.048 14.062 1.903 1.00 14.41 H new ATOM 0 HD2 LYS A 90 -17.288 14.332 1.152 1.00 31.44 H new ATOM 0 HD3 LYS A 90 -16.947 13.627 -0.415 1.00 31.44 H new ATOM 0 HE2 LYS A 90 -16.490 11.422 0.740 1.00 64.32 H new ATOM 0 HE3 LYS A 90 -16.993 12.155 2.250 1.00 64.32 H new ATOM 0 HZ1 LYS A 90 -18.821 10.975 1.277 1.00 11.43 H new ATOM 0 HZ2 LYS A 90 -19.166 12.637 1.220 1.00 11.43 H new ATOM 0 HZ3 LYS A 90 -18.670 11.823 -0.186 1.00 11.43 H new ATOM 1408 N ARG A 91 -11.948 12.823 -0.018 1.00 72.13 N ATOM 1409 CA ARG A 91 -11.457 11.516 -0.442 1.00 43.53 C ATOM 1410 C ARG A 91 -12.591 10.497 -0.485 1.00 14.20 C ATOM 1411 O ARG A 91 -13.541 10.575 0.295 1.00 43.35 O ATOM 1412 CB ARG A 91 -10.356 11.031 0.502 1.00 44.52 C ATOM 1413 CG ARG A 91 -9.898 9.609 0.223 1.00 63.11 C ATOM 1414 CD ARG A 91 -8.490 9.365 0.745 1.00 44.43 C ATOM 1415 NE ARG A 91 -8.233 7.948 0.981 1.00 24.21 N ATOM 1416 CZ ARG A 91 -7.023 7.449 1.214 1.00 32.00 C ATOM 1417 NH1 ARG A 91 -5.967 8.249 1.241 1.00 44.51 N ATOM 1418 NH2 ARG A 91 -6.869 6.147 1.420 1.00 20.12 N ATOM 0 H ARG A 91 -11.620 13.119 0.901 1.00 72.13 H new ATOM 0 HA ARG A 91 -11.046 11.618 -1.446 1.00 43.53 H new ATOM 0 HB2 ARG A 91 -9.500 11.701 0.423 1.00 44.52 H new ATOM 0 HB3 ARG A 91 -10.716 11.093 1.529 1.00 44.52 H new ATOM 0 HG2 ARG A 91 -10.587 8.905 0.690 1.00 63.11 H new ATOM 0 HG3 ARG A 91 -9.927 9.420 -0.850 1.00 63.11 H new ATOM 0 HD2 ARG A 91 -7.765 9.750 0.028 1.00 44.43 H new ATOM 0 HD3 ARG A 91 -8.346 9.919 1.673 1.00 44.43 H new ATOM 0 HE ARG A 91 -9.025 7.305 0.966 1.00 24.21 H new ATOM 0 HH11 ARG A 91 -6.081 9.250 1.083 1.00 44.51 H new ATOM 0 HH12 ARG A 91 -5.040 7.864 1.420 1.00 44.51 H new ATOM 0 HH21 ARG A 91 -7.679 5.528 1.400 1.00 20.12 H new ATOM 0 HH22 ARG A 91 -5.940 5.765 1.599 1.00 20.12 H new ATOM 1432 N PHE A 92 -12.485 9.540 -1.401 1.00 52.25 N ATOM 1433 CA PHE A 92 -13.502 8.505 -1.547 1.00 54.35 C ATOM 1434 C PHE A 92 -12.886 7.116 -1.424 1.00 61.01 C ATOM 1435 O PHE A 92 -13.536 6.175 -0.972 1.00 31.44 O ATOM 1436 CB PHE A 92 -14.211 8.644 -2.897 1.00 63.34 C ATOM 1437 CG PHE A 92 -15.402 9.559 -2.858 1.00 71.42 C ATOM 1438 CD1 PHE A 92 -15.268 10.873 -2.443 1.00 74.03 C ATOM 1439 CD2 PHE A 92 -16.655 9.102 -3.235 1.00 44.24 C ATOM 1440 CE1 PHE A 92 -16.362 11.717 -2.407 1.00 13.34 C ATOM 1441 CE2 PHE A 92 -17.752 9.942 -3.201 1.00 61.22 C ATOM 1442 CZ PHE A 92 -17.606 11.251 -2.786 1.00 14.13 C ATOM 0 H PHE A 92 -11.705 9.460 -2.053 1.00 52.25 H new ATOM 0 HA PHE A 92 -14.231 8.631 -0.747 1.00 54.35 H new ATOM 0 HB2 PHE A 92 -13.500 9.017 -3.635 1.00 63.34 H new ATOM 0 HB3 PHE A 92 -14.531 7.658 -3.233 1.00 63.34 H new ATOM 0 HD1 PHE A 92 -14.298 11.243 -2.144 1.00 74.03 H new ATOM 0 HD2 PHE A 92 -16.775 8.079 -3.559 1.00 44.24 H new ATOM 0 HE1 PHE A 92 -16.244 12.740 -2.083 1.00 13.34 H new ATOM 0 HE2 PHE A 92 -18.723 9.575 -3.499 1.00 61.22 H new ATOM 0 HZ PHE A 92 -18.462 11.909 -2.758 1.00 14.13 H new ATOM 1452 N GLY A 93 -11.625 6.995 -1.831 1.00 53.23 N ATOM 1453 CA GLY A 93 -10.941 5.717 -1.759 1.00 14.44 C ATOM 1454 C GLY A 93 -11.034 5.087 -0.383 1.00 54.54 C ATOM 1455 O GLY A 93 -10.326 4.125 -0.086 1.00 11.22 O ATOM 0 H GLY A 93 -11.066 7.760 -2.209 1.00 53.23 H new ATOM 0 HA2 GLY A 93 -11.369 5.037 -2.496 1.00 14.44 H new ATOM 0 HA3 GLY A 93 -9.892 5.854 -2.022 1.00 14.44 H new TER 1459 GLY A 93