USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 842 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 62 GLN : amide:sc= 0 K(o=-2.4,f=-3.3) USER MOD Set 1.2: A 65 GLN : amide:sc= -2.38 K(o=-2.4,f=-1.3) USER MOD Set 2.1: A 33 HIS : no HD1:sc= -7.24! C(o=-9.5!,f=-12!) USER MOD Set 2.2: A 36 MET CE :methyl -122:sc= -2.26 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 0 (180deg=-0.102) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -114:sc= 1.05 (180deg=-0.677) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -107:sc= -0.642 (180deg=-1.87!) USER MOD Single : A 7 HIS : no HD1:sc=-0.00899 X(o=-0.009,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -153:sc= -2.02 (180deg=-3.22!) USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= -1.07 (180deg=-1.66!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= -0.823 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= 1.33 (180deg=0.121) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 150:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc=-8.57e-06 K(o=-8.6e-06,f=-2.1!) USER MOD Single : A 42 THR OG1 : rot 92:sc= 1.12 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -33:sc= -0.746 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 TYR OH : rot 180:sc= -2.28 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -143:sc= 1.1 (180deg=-0.359) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.18) USER MOD Single : A 60 TYR OH : rot -106:sc= 0.601 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.0592 X(o=-0.059,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.0665 X(o=-0.067,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.39) USER MOD Single : A 88 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.11) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.276 11.937 14.773 1.00 0.00 N ATOM 2 CA MET A 1 11.245 12.052 15.838 1.00 0.00 C ATOM 3 C MET A 1 9.970 12.696 15.302 1.00 0.00 C ATOM 4 O MET A 1 9.323 13.485 15.991 1.00 0.00 O ATOM 5 CB MET A 1 11.819 12.889 16.983 1.00 0.00 C ATOM 6 CG MET A 1 12.698 12.095 17.935 1.00 0.00 C ATOM 7 SD MET A 1 13.816 13.143 18.885 1.00 0.00 S ATOM 8 CE MET A 1 15.047 11.949 19.399 1.00 0.00 C ATOM 0 H1 MET A 1 13.187 11.672 15.199 1.00 0.00 H new ATOM 0 H2 MET A 1 11.989 11.208 14.089 1.00 0.00 H new ATOM 0 H3 MET A 1 12.374 12.850 14.285 1.00 0.00 H new ATOM 0 HA MET A 1 10.985 11.055 16.195 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.400 13.711 16.565 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.997 13.333 17.545 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.067 11.529 18.620 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.281 11.370 17.366 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.809 12.447 19.998 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.571 11.169 19.993 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.511 11.503 18.519 1.00 0.00 H new ATOM 20 N LYS A 2 9.613 12.352 14.069 1.00 0.00 N ATOM 21 CA LYS A 2 8.414 12.897 13.439 1.00 0.00 C ATOM 22 C LYS A 2 7.155 12.354 14.108 1.00 0.00 C ATOM 23 O LYS A 2 7.217 11.417 14.902 1.00 0.00 O ATOM 24 CB LYS A 2 8.398 12.561 11.947 1.00 0.00 C ATOM 25 CG LYS A 2 9.689 12.919 11.230 1.00 0.00 C ATOM 26 CD LYS A 2 9.982 11.952 10.093 1.00 0.00 C ATOM 27 CE LYS A 2 11.211 12.372 9.306 1.00 0.00 C ATOM 28 NZ LYS A 2 11.452 11.483 8.135 1.00 0.00 N ATOM 0 H LYS A 2 10.136 11.699 13.486 1.00 0.00 H new ATOM 0 HA LYS A 2 8.431 13.980 13.559 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.208 11.495 11.825 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.570 13.089 11.473 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.619 13.933 10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.516 12.908 11.940 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.132 10.950 10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.121 11.902 9.426 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.089 13.399 8.963 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.083 12.356 9.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.300 11.803 7.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.594 10.507 8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.631 11.517 7.498 1.00 0.00 H new ATOM 42 N LYS A 3 6.013 12.951 13.780 1.00 0.00 N ATOM 43 CA LYS A 3 4.738 12.526 14.349 1.00 0.00 C ATOM 44 C LYS A 3 3.629 12.586 13.304 1.00 0.00 C ATOM 45 O LYS A 3 3.842 13.046 12.182 1.00 0.00 O ATOM 46 CB LYS A 3 4.375 13.402 15.548 1.00 0.00 C ATOM 47 CG LYS A 3 5.128 13.039 16.818 1.00 0.00 C ATOM 48 CD LYS A 3 5.441 14.272 17.653 1.00 0.00 C ATOM 49 CE LYS A 3 5.240 14.007 19.136 1.00 0.00 C ATOM 50 NZ LYS A 3 3.833 14.252 19.560 1.00 0.00 N ATOM 0 H LYS A 3 5.944 13.729 13.124 1.00 0.00 H new ATOM 0 HA LYS A 3 4.842 11.493 14.681 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.578 14.444 15.301 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.304 13.322 15.735 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.534 12.341 17.407 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.056 12.529 16.559 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.471 14.582 17.474 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.801 15.097 17.340 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.512 12.976 19.360 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.909 14.646 19.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.803 15.061 20.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.250 14.459 18.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.463 13.407 20.040 1.00 0.00 H new ATOM 64 N LEU A 4 2.441 12.120 13.682 1.00 0.00 N ATOM 65 CA LEU A 4 1.297 12.120 12.780 1.00 0.00 C ATOM 66 C LEU A 4 1.538 11.194 11.594 1.00 0.00 C ATOM 67 O LEU A 4 2.361 11.485 10.726 1.00 0.00 O ATOM 68 CB LEU A 4 1.006 13.540 12.286 1.00 0.00 C ATOM 69 CG LEU A 4 -0.403 13.759 11.730 1.00 0.00 C ATOM 70 CD1 LEU A 4 -1.449 13.279 12.725 1.00 0.00 C ATOM 71 CD2 LEU A 4 -0.620 15.226 11.395 1.00 0.00 C ATOM 0 H LEU A 4 2.248 11.738 14.608 1.00 0.00 H new ATOM 0 HA LEU A 4 0.432 11.753 13.333 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.166 14.235 13.111 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.729 13.793 11.511 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.507 13.177 10.814 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.445 13.442 12.313 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.306 12.216 12.918 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.346 13.834 13.657 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.627 15.364 11.001 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.497 15.827 12.296 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.108 15.540 10.648 1.00 0.00 H new ATOM 83 N LYS A 5 0.816 10.078 11.563 1.00 0.00 N ATOM 84 CA LYS A 5 0.952 9.108 10.482 1.00 0.00 C ATOM 85 C LYS A 5 -0.337 9.021 9.670 1.00 0.00 C ATOM 86 O LYS A 5 -1.403 9.424 10.134 1.00 0.00 O ATOM 87 CB LYS A 5 1.312 7.732 11.044 1.00 0.00 C ATOM 88 CG LYS A 5 2.376 7.006 10.237 1.00 0.00 C ATOM 89 CD LYS A 5 2.322 5.505 10.469 1.00 0.00 C ATOM 90 CE LYS A 5 1.157 4.867 9.728 1.00 0.00 C ATOM 91 NZ LYS A 5 1.115 3.392 9.923 1.00 0.00 N ATOM 0 H LYS A 5 0.131 9.823 12.274 1.00 0.00 H new ATOM 0 HA LYS A 5 1.754 9.441 9.824 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.662 7.848 12.070 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.413 7.117 11.081 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.237 7.217 9.177 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.362 7.382 10.510 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.256 5.051 10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.229 5.304 11.536 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.222 5.306 10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.238 5.090 8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.307 2.996 9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.997 2.970 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.012 3.178 10.936 1.00 0.00 H new ATOM 105 N LYS A 6 -0.231 8.492 8.455 1.00 0.00 N ATOM 106 CA LYS A 6 -1.387 8.351 7.578 1.00 0.00 C ATOM 107 C LYS A 6 -2.076 9.698 7.365 1.00 0.00 C ATOM 108 O LYS A 6 -1.557 10.741 7.765 1.00 0.00 O ATOM 109 CB LYS A 6 -2.379 7.342 8.161 1.00 0.00 C ATOM 110 CG LYS A 6 -2.896 6.341 7.142 1.00 0.00 C ATOM 111 CD LYS A 6 -4.102 5.580 7.670 1.00 0.00 C ATOM 112 CE LYS A 6 -5.251 6.517 8.002 1.00 0.00 C ATOM 113 NZ LYS A 6 -5.257 6.902 9.441 1.00 0.00 N ATOM 0 H LYS A 6 0.645 8.154 8.056 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.036 7.986 6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.898 6.802 8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.224 7.881 8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.167 6.862 6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.103 5.637 6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.428 4.852 6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.819 5.020 8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.177 7.414 7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.196 6.035 7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.037 6.415 9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.353 6.630 9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.386 7.931 9.525 1.00 0.00 H new ATOM 127 N HIS A 7 -3.246 9.669 6.735 1.00 0.00 N ATOM 128 CA HIS A 7 -4.002 10.887 6.471 1.00 0.00 C ATOM 129 C HIS A 7 -3.168 11.883 5.668 1.00 0.00 C ATOM 130 O HIS A 7 -1.978 11.665 5.439 1.00 0.00 O ATOM 131 CB HIS A 7 -4.455 11.525 7.787 1.00 0.00 C ATOM 132 CG HIS A 7 -5.903 11.300 8.094 1.00 0.00 C ATOM 133 ND1 HIS A 7 -6.764 12.318 8.448 1.00 0.00 N ATOM 134 CD2 HIS A 7 -6.644 10.166 8.096 1.00 0.00 C ATOM 135 CE1 HIS A 7 -7.970 11.820 8.656 1.00 0.00 C ATOM 136 NE2 HIS A 7 -7.923 10.518 8.449 1.00 0.00 N ATOM 0 H HIS A 7 -3.691 8.815 6.398 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.880 10.621 5.883 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.853 11.124 8.602 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -4.263 12.597 7.747 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -6.294 9.171 7.863 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.845 12.383 8.946 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -8.711 9.876 8.537 1.00 0.00 H new ATOM 145 N PRO A 8 -3.787 12.992 5.225 1.00 0.00 N ATOM 146 CA PRO A 8 -3.100 14.027 4.442 1.00 0.00 C ATOM 147 C PRO A 8 -2.032 14.754 5.254 1.00 0.00 C ATOM 148 O PRO A 8 -2.139 15.953 5.509 1.00 0.00 O ATOM 149 CB PRO A 8 -4.225 14.996 4.042 1.00 0.00 C ATOM 150 CG PRO A 8 -5.497 14.263 4.312 1.00 0.00 C ATOM 151 CD PRO A 8 -5.200 13.327 5.446 1.00 0.00 C ATOM 0 HA PRO A 8 -2.571 13.602 3.589 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.173 15.918 4.621 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.148 15.275 2.991 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.298 14.954 4.576 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.827 13.715 3.429 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.357 13.801 6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.835 12.442 5.418 1.00 0.00 H new ATOM 159 N ASP A 9 -1.002 14.020 5.661 1.00 0.00 N ATOM 160 CA ASP A 9 0.084 14.596 6.444 1.00 0.00 C ATOM 161 C ASP A 9 1.341 13.737 6.347 1.00 0.00 C ATOM 162 O ASP A 9 2.439 14.248 6.124 1.00 0.00 O ATOM 163 CB ASP A 9 -0.339 14.746 7.908 1.00 0.00 C ATOM 164 CG ASP A 9 -0.324 16.190 8.368 1.00 0.00 C ATOM 165 OD1 ASP A 9 -1.217 16.956 7.948 1.00 0.00 O ATOM 166 OD2 ASP A 9 0.582 16.556 9.147 1.00 0.00 O ATOM 0 H ASP A 9 -0.897 13.025 5.461 1.00 0.00 H new ATOM 0 HA ASP A 9 0.310 15.582 6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.341 14.336 8.038 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.329 14.160 8.539 1.00 0.00 H new ATOM 171 N PHE A 10 1.172 12.430 6.518 1.00 0.00 N ATOM 172 CA PHE A 10 2.295 11.500 6.449 1.00 0.00 C ATOM 173 C PHE A 10 2.265 10.705 5.145 1.00 0.00 C ATOM 174 O PHE A 10 1.195 10.335 4.660 1.00 0.00 O ATOM 175 CB PHE A 10 2.267 10.547 7.645 1.00 0.00 C ATOM 176 CG PHE A 10 3.466 9.648 7.726 1.00 0.00 C ATOM 177 CD1 PHE A 10 4.609 10.056 8.397 1.00 0.00 C ATOM 178 CD2 PHE A 10 3.452 8.395 7.135 1.00 0.00 C ATOM 179 CE1 PHE A 10 5.715 9.231 8.473 1.00 0.00 C ATOM 180 CE2 PHE A 10 4.556 7.566 7.208 1.00 0.00 C ATOM 181 CZ PHE A 10 5.689 7.986 7.879 1.00 0.00 C ATOM 0 H PHE A 10 0.271 11.991 6.705 1.00 0.00 H new ATOM 0 HA PHE A 10 3.218 12.079 6.477 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.199 11.131 8.563 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.367 9.934 7.590 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.635 11.029 8.865 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.568 8.062 6.611 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.600 9.561 8.997 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.533 6.592 6.742 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.553 7.340 7.938 1.00 0.00 H new ATOM 191 N PRO A 11 3.443 10.434 4.553 1.00 0.00 N ATOM 192 CA PRO A 11 3.541 9.683 3.296 1.00 0.00 C ATOM 193 C PRO A 11 2.809 8.346 3.356 1.00 0.00 C ATOM 194 O PRO A 11 3.310 7.377 3.926 1.00 0.00 O ATOM 195 CB PRO A 11 5.046 9.459 3.130 1.00 0.00 C ATOM 196 CG PRO A 11 5.681 10.566 3.896 1.00 0.00 C ATOM 197 CD PRO A 11 4.768 10.840 5.059 1.00 0.00 C ATOM 0 HA PRO A 11 3.081 10.221 2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.346 8.486 3.518 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.337 9.487 2.080 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.676 10.283 4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.799 11.454 3.274 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.055 10.266 5.940 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.785 11.892 5.344 1.00 0.00 H new ATOM 205 N LYS A 12 1.622 8.301 2.759 1.00 0.00 N ATOM 206 CA LYS A 12 0.820 7.083 2.740 1.00 0.00 C ATOM 207 C LYS A 12 -0.178 7.111 1.586 1.00 0.00 C ATOM 208 O LYS A 12 -0.823 8.129 1.337 1.00 0.00 O ATOM 209 CB LYS A 12 0.080 6.913 4.068 1.00 0.00 C ATOM 210 CG LYS A 12 -0.373 5.486 4.333 1.00 0.00 C ATOM 211 CD LYS A 12 -1.835 5.289 3.970 1.00 0.00 C ATOM 212 CE LYS A 12 -2.092 3.894 3.426 1.00 0.00 C ATOM 213 NZ LYS A 12 -2.079 3.865 1.937 1.00 0.00 N ATOM 0 H LYS A 12 1.194 9.095 2.282 1.00 0.00 H new ATOM 0 HA LYS A 12 1.491 6.236 2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.730 7.236 4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.790 7.569 4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.242 4.795 3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.223 5.245 5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.455 5.457 4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.129 6.030 3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.334 3.210 3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.056 3.536 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.676 3.083 1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.448 4.765 1.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.105 3.727 1.601 1.00 0.00 H new ATOM 227 N LYS A 13 -0.301 5.987 0.883 1.00 0.00 N ATOM 228 CA LYS A 13 -1.222 5.891 -0.245 1.00 0.00 C ATOM 229 C LYS A 13 -1.217 4.487 -0.850 1.00 0.00 C ATOM 230 O LYS A 13 -2.250 3.817 -0.877 1.00 0.00 O ATOM 231 CB LYS A 13 -0.868 6.926 -1.315 1.00 0.00 C ATOM 232 CG LYS A 13 -2.078 7.655 -1.877 1.00 0.00 C ATOM 233 CD LYS A 13 -1.777 9.124 -2.134 1.00 0.00 C ATOM 234 CE LYS A 13 -3.027 9.882 -2.552 1.00 0.00 C ATOM 235 NZ LYS A 13 -2.785 11.349 -2.633 1.00 0.00 N ATOM 0 H LYS A 13 0.224 5.134 1.074 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.225 6.095 0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.179 7.656 -0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.342 6.429 -2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.391 7.179 -2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.911 7.570 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.361 9.575 -1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.020 9.211 -2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.367 9.516 -3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.827 9.685 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.507 11.787 -3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.837 11.763 -1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.842 11.524 -3.035 1.00 0.00 H new ATOM 249 N PRO A 14 -0.058 4.016 -1.349 1.00 0.00 N ATOM 250 CA PRO A 14 0.057 2.687 -1.957 1.00 0.00 C ATOM 251 C PRO A 14 -0.501 1.588 -1.061 1.00 0.00 C ATOM 252 O PRO A 14 -0.876 1.836 0.085 1.00 0.00 O ATOM 253 CB PRO A 14 1.569 2.497 -2.161 1.00 0.00 C ATOM 254 CG PRO A 14 2.221 3.607 -1.405 1.00 0.00 C ATOM 255 CD PRO A 14 1.227 4.730 -1.370 1.00 0.00 C ATOM 0 HA PRO A 14 -0.516 2.621 -2.882 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.895 1.526 -1.789 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.830 2.538 -3.219 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.484 3.289 -0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.145 3.920 -1.892 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.356 5.359 -0.489 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.317 5.379 -2.241 1.00 0.00 H new ATOM 263 N LEU A 15 -0.556 0.373 -1.594 1.00 0.00 N ATOM 264 CA LEU A 15 -1.071 -0.770 -0.845 1.00 0.00 C ATOM 265 C LEU A 15 0.054 -1.728 -0.478 1.00 0.00 C ATOM 266 O LEU A 15 1.233 -1.418 -0.653 1.00 0.00 O ATOM 267 CB LEU A 15 -2.135 -1.518 -1.657 1.00 0.00 C ATOM 268 CG LEU A 15 -2.974 -0.652 -2.605 1.00 0.00 C ATOM 269 CD1 LEU A 15 -2.701 -1.025 -4.053 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.455 -0.797 -2.289 1.00 0.00 C ATOM 0 H LEU A 15 -0.251 0.153 -2.542 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.525 -0.388 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.641 -2.293 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.808 -2.023 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.690 0.390 -2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.306 -0.400 -4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.645 -0.871 -4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.956 -2.073 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.035 -0.176 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.752 -1.839 -2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.641 -0.480 -1.263 1.00 0.00 H new ATOM 282 N THR A 16 -0.319 -2.897 0.031 1.00 0.00 N ATOM 283 CA THR A 16 0.654 -3.909 0.420 1.00 0.00 C ATOM 284 C THR A 16 0.703 -5.031 -0.613 1.00 0.00 C ATOM 285 O THR A 16 -0.248 -5.234 -1.367 1.00 0.00 O ATOM 286 CB THR A 16 0.306 -4.478 1.796 1.00 0.00 C ATOM 287 OG1 THR A 16 -1.031 -4.943 1.824 1.00 0.00 O ATOM 288 CG2 THR A 16 0.465 -3.472 2.916 1.00 0.00 C ATOM 0 H THR A 16 -1.291 -3.167 0.184 1.00 0.00 H new ATOM 0 HA THR A 16 1.636 -3.439 0.470 1.00 0.00 H new ATOM 0 HB THR A 16 1.011 -5.294 1.958 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.233 -5.304 2.712 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.202 -3.939 3.865 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.499 -3.130 2.954 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.192 -2.621 2.737 1.00 0.00 H new ATOM 296 N PRO A 17 1.820 -5.780 -0.665 1.00 0.00 N ATOM 297 CA PRO A 17 1.993 -6.885 -1.610 1.00 0.00 C ATOM 298 C PRO A 17 0.750 -7.767 -1.702 1.00 0.00 C ATOM 299 O PRO A 17 0.350 -8.177 -2.793 1.00 0.00 O ATOM 300 CB PRO A 17 3.182 -7.679 -1.043 1.00 0.00 C ATOM 301 CG PRO A 17 3.566 -7.002 0.237 1.00 0.00 C ATOM 302 CD PRO A 17 3.000 -5.613 0.184 1.00 0.00 C ATOM 0 HA PRO A 17 2.162 -6.524 -2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.906 -8.719 -0.866 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.016 -7.685 -1.745 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.172 -7.547 1.095 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.650 -6.973 0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.737 -5.245 1.176 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.709 -4.903 -0.242 1.00 0.00 H new ATOM 310 N TYR A 18 0.134 -8.048 -0.556 1.00 0.00 N ATOM 311 CA TYR A 18 -1.070 -8.871 -0.528 1.00 0.00 C ATOM 312 C TYR A 18 -2.198 -8.178 -1.282 1.00 0.00 C ATOM 313 O TYR A 18 -3.015 -8.826 -1.935 1.00 0.00 O ATOM 314 CB TYR A 18 -1.497 -9.155 0.917 1.00 0.00 C ATOM 315 CG TYR A 18 -2.579 -10.213 1.050 1.00 0.00 C ATOM 316 CD1 TYR A 18 -2.990 -10.974 -0.043 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.191 -10.451 2.275 1.00 0.00 C ATOM 318 CE1 TYR A 18 -3.975 -11.934 0.085 1.00 0.00 C ATOM 319 CE2 TYR A 18 -4.177 -11.410 2.409 1.00 0.00 C ATOM 320 CZ TYR A 18 -4.565 -12.149 1.312 1.00 0.00 C ATOM 321 OH TYR A 18 -5.546 -13.105 1.441 1.00 0.00 O ATOM 0 H TYR A 18 0.446 -7.720 0.358 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.850 -9.821 -1.016 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.623 -9.471 1.487 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.853 -8.229 1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.530 -10.810 -1.007 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.890 -9.876 3.138 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.282 -12.514 -0.773 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.642 -11.580 3.369 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.857 -13.131 2.370 1.00 0.00 H new ATOM 331 N PHE A 19 -2.225 -6.851 -1.197 1.00 0.00 N ATOM 332 CA PHE A 19 -3.240 -6.061 -1.884 1.00 0.00 C ATOM 333 C PHE A 19 -3.023 -6.124 -3.390 1.00 0.00 C ATOM 334 O PHE A 19 -3.926 -6.474 -4.145 1.00 0.00 O ATOM 335 CB PHE A 19 -3.201 -4.606 -1.404 1.00 0.00 C ATOM 336 CG PHE A 19 -4.358 -4.234 -0.519 1.00 0.00 C ATOM 337 CD1 PHE A 19 -5.650 -4.613 -0.848 1.00 0.00 C ATOM 338 CD2 PHE A 19 -4.152 -3.504 0.640 1.00 0.00 C ATOM 339 CE1 PHE A 19 -6.714 -4.272 -0.037 1.00 0.00 C ATOM 340 CE2 PHE A 19 -5.214 -3.160 1.457 1.00 0.00 C ATOM 341 CZ PHE A 19 -6.496 -3.544 1.117 1.00 0.00 C ATOM 0 H PHE A 19 -1.555 -6.301 -0.659 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.221 -6.477 -1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.270 -4.435 -0.863 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.191 -3.946 -2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.826 -5.182 -1.749 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.151 -3.200 0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.716 -4.574 -0.304 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.041 -2.592 2.359 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.327 -3.276 1.752 1.00 0.00 H new ATOM 351 N ARG A 20 -1.806 -5.802 -3.822 1.00 0.00 N ATOM 352 CA ARG A 20 -1.469 -5.845 -5.241 1.00 0.00 C ATOM 353 C ARG A 20 -1.598 -7.267 -5.789 1.00 0.00 C ATOM 354 O ARG A 20 -1.548 -7.483 -6.998 1.00 0.00 O ATOM 355 CB ARG A 20 -0.044 -5.336 -5.466 1.00 0.00 C ATOM 356 CG ARG A 20 0.282 -4.069 -4.697 1.00 0.00 C ATOM 357 CD ARG A 20 1.594 -3.460 -5.166 1.00 0.00 C ATOM 358 NE ARG A 20 1.390 -2.458 -6.209 1.00 0.00 N ATOM 359 CZ ARG A 20 2.299 -1.549 -6.552 1.00 0.00 C ATOM 360 NH1 ARG A 20 3.475 -1.513 -5.937 1.00 0.00 N ATOM 361 NH2 ARG A 20 2.033 -0.673 -7.512 1.00 0.00 N ATOM 0 H ARG A 20 -1.041 -5.510 -3.213 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.169 -5.200 -5.772 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.660 -6.116 -5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.102 -5.152 -6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.523 -3.346 -4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.343 -4.293 -3.632 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.105 -3.003 -4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.245 -4.248 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 20 0.498 -2.455 -6.704 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.685 -2.184 -5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.169 -0.814 -6.203 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.131 -0.696 -7.988 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.730 0.024 -7.774 1.00 0.00 H new ATOM 375 N PHE A 21 -1.751 -8.234 -4.888 1.00 0.00 N ATOM 376 CA PHE A 21 -1.878 -9.639 -5.259 1.00 0.00 C ATOM 377 C PHE A 21 -3.342 -10.080 -5.235 1.00 0.00 C ATOM 378 O PHE A 21 -3.835 -10.722 -6.169 1.00 0.00 O ATOM 379 CB PHE A 21 -1.062 -10.483 -4.278 1.00 0.00 C ATOM 380 CG PHE A 21 -0.776 -11.882 -4.739 1.00 0.00 C ATOM 381 CD1 PHE A 21 -1.755 -12.858 -4.684 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.480 -12.223 -5.211 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.489 -14.150 -5.095 1.00 0.00 C ATOM 384 CE2 PHE A 21 0.755 -13.513 -5.621 1.00 0.00 C ATOM 385 CZ PHE A 21 -0.230 -14.478 -5.564 1.00 0.00 C ATOM 0 H PHE A 21 -1.790 -8.065 -3.883 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.503 -9.776 -6.273 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.115 -9.978 -4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.596 -10.530 -3.329 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.739 -12.607 -4.315 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.254 -11.471 -5.259 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.263 -14.902 -5.050 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.740 -13.766 -5.986 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.018 -15.487 -5.885 1.00 0.00 H new ATOM 395 N PHE A 22 -4.031 -9.717 -4.158 1.00 0.00 N ATOM 396 CA PHE A 22 -5.433 -10.063 -3.981 1.00 0.00 C ATOM 397 C PHE A 22 -6.310 -9.106 -4.770 1.00 0.00 C ATOM 398 O PHE A 22 -7.184 -9.518 -5.532 1.00 0.00 O ATOM 399 CB PHE A 22 -5.772 -10.003 -2.485 1.00 0.00 C ATOM 400 CG PHE A 22 -7.233 -10.128 -2.153 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.125 -9.112 -2.464 1.00 0.00 C ATOM 402 CD2 PHE A 22 -7.711 -11.257 -1.507 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.464 -9.224 -2.141 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.050 -11.375 -1.184 1.00 0.00 C ATOM 405 CZ PHE A 22 -9.927 -10.357 -1.502 1.00 0.00 C ATOM 0 H PHE A 22 -3.634 -9.178 -3.388 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.617 -11.071 -4.352 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.231 -10.799 -1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.404 -9.059 -2.083 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.769 -8.223 -2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.029 -12.055 -1.253 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.148 -8.426 -2.388 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.410 -12.262 -0.684 1.00 0.00 H new ATOM 0 HZ PHE A 22 -10.974 -10.447 -1.251 1.00 0.00 H new ATOM 415 N MET A 23 -6.058 -7.826 -4.572 1.00 0.00 N ATOM 416 CA MET A 23 -6.803 -6.774 -5.236 1.00 0.00 C ATOM 417 C MET A 23 -6.586 -6.790 -6.753 1.00 0.00 C ATOM 418 O MET A 23 -7.341 -6.163 -7.497 1.00 0.00 O ATOM 419 CB MET A 23 -6.385 -5.428 -4.629 1.00 0.00 C ATOM 420 CG MET A 23 -5.455 -4.596 -5.502 1.00 0.00 C ATOM 421 SD MET A 23 -6.348 -3.555 -6.676 1.00 0.00 S ATOM 422 CE MET A 23 -6.739 -2.143 -5.646 1.00 0.00 C ATOM 0 H MET A 23 -5.329 -7.486 -3.945 1.00 0.00 H new ATOM 0 HA MET A 23 -7.869 -6.936 -5.079 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.282 -4.845 -4.420 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.895 -5.613 -3.673 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.832 -3.967 -4.866 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.785 -5.260 -6.048 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.293 -1.408 -6.231 1.00 0.00 H new ATOM 0 HE2 MET A 23 -7.346 -2.466 -4.801 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.816 -1.694 -5.279 1.00 0.00 H new ATOM 432 N GLU A 24 -5.548 -7.490 -7.209 1.00 0.00 N ATOM 433 CA GLU A 24 -5.246 -7.552 -8.634 1.00 0.00 C ATOM 434 C GLU A 24 -5.919 -8.742 -9.318 1.00 0.00 C ATOM 435 O GLU A 24 -6.407 -8.618 -10.442 1.00 0.00 O ATOM 436 CB GLU A 24 -3.731 -7.600 -8.857 1.00 0.00 C ATOM 437 CG GLU A 24 -3.104 -8.971 -8.646 1.00 0.00 C ATOM 438 CD GLU A 24 -1.691 -9.055 -9.190 1.00 0.00 C ATOM 439 OE1 GLU A 24 -1.460 -8.570 -10.318 1.00 0.00 O ATOM 440 OE2 GLU A 24 -0.817 -9.605 -8.488 1.00 0.00 O ATOM 0 H GLU A 24 -4.908 -8.018 -6.616 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.649 -6.647 -9.088 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.516 -7.269 -9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.255 -6.889 -8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.094 -9.202 -7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.722 -9.727 -9.130 1.00 0.00 H new ATOM 447 N LYS A 25 -5.934 -9.897 -8.656 1.00 0.00 N ATOM 448 CA LYS A 25 -6.543 -11.084 -9.250 1.00 0.00 C ATOM 449 C LYS A 25 -7.969 -11.313 -8.751 1.00 0.00 C ATOM 450 O LYS A 25 -8.628 -12.265 -9.168 1.00 0.00 O ATOM 451 CB LYS A 25 -5.675 -12.319 -8.995 1.00 0.00 C ATOM 452 CG LYS A 25 -5.786 -12.880 -7.591 1.00 0.00 C ATOM 453 CD LYS A 25 -4.481 -13.521 -7.149 1.00 0.00 C ATOM 454 CE LYS A 25 -4.151 -14.747 -7.986 1.00 0.00 C ATOM 455 NZ LYS A 25 -3.088 -15.581 -7.360 1.00 0.00 N ATOM 0 H LYS A 25 -5.539 -10.036 -7.726 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.604 -10.912 -10.325 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.951 -13.096 -9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.634 -12.063 -9.190 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.055 -12.082 -6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.587 -13.618 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.672 -12.795 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.551 -13.804 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.051 -15.347 -8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.827 -14.432 -8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.566 -16.092 -8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.432 -14.969 -6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.522 -16.265 -6.708 1.00 0.00 H new ATOM 469 N ARG A 26 -8.455 -10.434 -7.875 1.00 0.00 N ATOM 470 CA ARG A 26 -9.807 -10.547 -7.354 1.00 0.00 C ATOM 471 C ARG A 26 -10.793 -10.692 -8.500 1.00 0.00 C ATOM 472 O ARG A 26 -11.796 -11.398 -8.394 1.00 0.00 O ATOM 473 CB ARG A 26 -10.151 -9.313 -6.514 1.00 0.00 C ATOM 474 CG ARG A 26 -10.114 -9.569 -5.019 1.00 0.00 C ATOM 475 CD ARG A 26 -10.835 -10.857 -4.666 1.00 0.00 C ATOM 476 NE ARG A 26 -9.907 -11.928 -4.315 1.00 0.00 N ATOM 477 CZ ARG A 26 -10.167 -12.876 -3.418 1.00 0.00 C ATOM 478 NH1 ARG A 26 -11.316 -12.882 -2.751 1.00 0.00 N ATOM 479 NH2 ARG A 26 -9.271 -13.822 -3.186 1.00 0.00 N ATOM 0 H ARG A 26 -7.929 -9.638 -7.514 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.870 -11.431 -6.720 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.451 -8.513 -6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.145 -8.961 -6.790 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.079 -9.624 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.576 -8.734 -4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.511 -10.676 -3.831 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.448 -11.172 -5.510 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.003 -11.951 -4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.010 -12.155 -2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.504 -13.614 -2.066 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.386 -13.822 -3.694 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.465 -14.551 -2.500 1.00 0.00 H new ATOM 493 N ALA A 27 -10.480 -10.032 -9.605 1.00 0.00 N ATOM 494 CA ALA A 27 -11.311 -10.094 -10.793 1.00 0.00 C ATOM 495 C ALA A 27 -11.293 -11.504 -11.358 1.00 0.00 C ATOM 496 O ALA A 27 -12.291 -11.996 -11.880 1.00 0.00 O ATOM 497 CB ALA A 27 -10.805 -9.112 -11.833 1.00 0.00 C ATOM 0 H ALA A 27 -9.651 -9.445 -9.701 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.334 -9.828 -10.527 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.435 -9.166 -12.721 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.838 -8.102 -11.426 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.778 -9.362 -12.101 1.00 0.00 H new ATOM 503 N LYS A 28 -10.134 -12.141 -11.245 1.00 0.00 N ATOM 504 CA LYS A 28 -9.948 -13.500 -11.741 1.00 0.00 C ATOM 505 C LYS A 28 -10.613 -14.532 -10.829 1.00 0.00 C ATOM 506 O LYS A 28 -10.854 -15.668 -11.237 1.00 0.00 O ATOM 507 CB LYS A 28 -8.454 -13.810 -11.877 1.00 0.00 C ATOM 508 CG LYS A 28 -8.050 -14.248 -13.276 1.00 0.00 C ATOM 509 CD LYS A 28 -8.833 -15.473 -13.725 1.00 0.00 C ATOM 510 CE LYS A 28 -9.887 -15.117 -14.761 1.00 0.00 C ATOM 511 NZ LYS A 28 -9.638 -15.799 -16.061 1.00 0.00 N ATOM 0 H LYS A 28 -9.304 -11.736 -10.812 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.425 -13.563 -12.719 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.881 -12.924 -11.603 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.188 -14.594 -11.168 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.218 -13.430 -13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.983 -14.470 -13.295 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.147 -16.211 -14.142 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.312 -15.935 -12.862 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.872 -15.396 -14.387 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.897 -14.038 -14.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.378 -15.531 -16.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.709 -15.514 -16.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.654 -16.829 -15.921 1.00 0.00 H new ATOM 525 N TYR A 29 -10.905 -14.136 -9.593 1.00 0.00 N ATOM 526 CA TYR A 29 -11.537 -15.035 -8.633 1.00 0.00 C ATOM 527 C TYR A 29 -13.032 -14.764 -8.524 1.00 0.00 C ATOM 528 O TYR A 29 -13.817 -15.668 -8.241 1.00 0.00 O ATOM 529 CB TYR A 29 -10.878 -14.902 -7.261 1.00 0.00 C ATOM 530 CG TYR A 29 -9.618 -15.720 -7.115 1.00 0.00 C ATOM 531 CD1 TYR A 29 -9.650 -17.106 -7.220 1.00 0.00 C ATOM 532 CD2 TYR A 29 -8.398 -15.108 -6.875 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.498 -17.856 -7.089 1.00 0.00 C ATOM 534 CE2 TYR A 29 -7.242 -15.851 -6.743 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.296 -17.225 -6.851 1.00 0.00 C ATOM 536 OH TYR A 29 -6.146 -17.968 -6.719 1.00 0.00 O ATOM 0 H TYR A 29 -10.714 -13.201 -9.234 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.402 -16.055 -8.994 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.643 -13.853 -7.080 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.590 -15.207 -6.494 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.590 -17.604 -7.407 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.351 -14.032 -6.790 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.539 -18.932 -7.173 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.299 -15.358 -6.556 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.379 -17.441 -7.027 1.00 0.00 H new ATOM 546 N ALA A 30 -13.420 -13.515 -8.753 1.00 0.00 N ATOM 547 CA ALA A 30 -14.824 -13.132 -8.686 1.00 0.00 C ATOM 548 C ALA A 30 -15.564 -13.582 -9.937 1.00 0.00 C ATOM 549 O ALA A 30 -16.794 -13.641 -9.959 1.00 0.00 O ATOM 550 CB ALA A 30 -14.953 -11.626 -8.509 1.00 0.00 C ATOM 0 H ALA A 30 -12.784 -12.753 -8.986 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.274 -13.626 -7.825 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -16.007 -11.354 -8.461 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.458 -11.324 -7.586 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.486 -11.119 -9.354 1.00 0.00 H new ATOM 556 N LYS A 31 -14.803 -13.900 -10.979 1.00 0.00 N ATOM 557 CA LYS A 31 -15.377 -14.345 -12.240 1.00 0.00 C ATOM 558 C LYS A 31 -15.346 -15.866 -12.347 1.00 0.00 C ATOM 559 O LYS A 31 -16.222 -16.475 -12.964 1.00 0.00 O ATOM 560 CB LYS A 31 -14.612 -13.719 -13.405 1.00 0.00 C ATOM 561 CG LYS A 31 -15.473 -12.838 -14.293 1.00 0.00 C ATOM 562 CD LYS A 31 -15.432 -11.386 -13.844 1.00 0.00 C ATOM 563 CE LYS A 31 -16.599 -11.051 -12.926 1.00 0.00 C ATOM 564 NZ LYS A 31 -17.229 -9.749 -13.280 1.00 0.00 N ATOM 0 H LYS A 31 -13.784 -13.857 -10.973 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.418 -14.025 -12.279 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.786 -13.127 -13.010 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.174 -14.513 -14.010 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.128 -12.911 -15.324 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.502 -13.197 -14.275 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.493 -11.191 -13.326 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.456 -10.734 -14.717 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.346 -11.843 -12.984 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -16.251 -11.017 -11.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.019 -9.558 -12.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.524 -8.989 -13.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.585 -9.790 -14.256 1.00 0.00 H new ATOM 578 N LEU A 32 -14.329 -16.473 -11.747 1.00 0.00 N ATOM 579 CA LEU A 32 -14.173 -17.923 -11.776 1.00 0.00 C ATOM 580 C LEU A 32 -14.933 -18.598 -10.632 1.00 0.00 C ATOM 581 O LEU A 32 -14.941 -19.824 -10.524 1.00 0.00 O ATOM 582 CB LEU A 32 -12.693 -18.294 -11.701 1.00 0.00 C ATOM 583 CG LEU A 32 -12.389 -19.785 -11.872 1.00 0.00 C ATOM 584 CD1 LEU A 32 -11.294 -19.994 -12.908 1.00 0.00 C ATOM 585 CD2 LEU A 32 -11.991 -20.406 -10.542 1.00 0.00 C ATOM 0 H LEU A 32 -13.598 -15.982 -11.233 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.594 -18.280 -12.716 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.156 -17.739 -12.470 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.300 -17.967 -10.738 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.294 -20.280 -12.225 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.093 -21.060 -13.015 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.618 -19.588 -13.866 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.386 -19.484 -12.586 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.779 -21.466 -10.684 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.101 -19.906 -10.159 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.807 -20.292 -9.828 1.00 0.00 H new ATOM 597 N HIS A 33 -15.570 -17.798 -9.779 1.00 0.00 N ATOM 598 CA HIS A 33 -16.327 -18.336 -8.651 1.00 0.00 C ATOM 599 C HIS A 33 -17.820 -18.048 -8.801 1.00 0.00 C ATOM 600 O HIS A 33 -18.417 -17.369 -7.965 1.00 0.00 O ATOM 601 CB HIS A 33 -15.802 -17.754 -7.334 1.00 0.00 C ATOM 602 CG HIS A 33 -14.511 -18.365 -6.887 1.00 0.00 C ATOM 603 ND1 HIS A 33 -14.395 -19.139 -5.753 1.00 0.00 N ATOM 604 CD2 HIS A 33 -13.273 -18.312 -7.433 1.00 0.00 C ATOM 605 CE1 HIS A 33 -13.143 -19.538 -5.619 1.00 0.00 C ATOM 606 NE2 HIS A 33 -12.442 -19.050 -6.625 1.00 0.00 N ATOM 0 H HIS A 33 -15.577 -16.780 -9.847 1.00 0.00 H new ATOM 0 HA HIS A 33 -16.192 -19.418 -8.638 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.666 -16.679 -7.449 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.552 -17.899 -6.557 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.992 -17.788 -8.334 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.759 -20.158 -4.822 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.444 -19.197 -6.778 1.00 0.00 H new ATOM 615 N PRO A 34 -18.448 -18.563 -9.874 1.00 0.00 N ATOM 616 CA PRO A 34 -19.879 -18.361 -10.129 1.00 0.00 C ATOM 617 C PRO A 34 -20.757 -19.143 -9.158 1.00 0.00 C ATOM 618 O PRO A 34 -21.855 -18.708 -8.809 1.00 0.00 O ATOM 619 CB PRO A 34 -20.063 -18.889 -11.552 1.00 0.00 C ATOM 620 CG PRO A 34 -18.985 -19.902 -11.715 1.00 0.00 C ATOM 621 CD PRO A 34 -17.814 -19.386 -10.924 1.00 0.00 C ATOM 0 HA PRO A 34 -20.171 -17.318 -10.003 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -21.049 -19.334 -11.686 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.971 -18.090 -12.287 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.306 -20.877 -11.348 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -18.722 -20.028 -12.765 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -17.227 -20.199 -10.498 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -17.139 -18.796 -11.544 1.00 0.00 H new ATOM 629 N GLU A 35 -20.263 -20.297 -8.720 1.00 0.00 N ATOM 630 CA GLU A 35 -21.004 -21.138 -7.785 1.00 0.00 C ATOM 631 C GLU A 35 -20.454 -20.991 -6.370 1.00 0.00 C ATOM 632 O GLU A 35 -20.698 -21.833 -5.506 1.00 0.00 O ATOM 633 CB GLU A 35 -20.945 -22.603 -8.222 1.00 0.00 C ATOM 634 CG GLU A 35 -21.732 -22.890 -9.488 1.00 0.00 C ATOM 635 CD GLU A 35 -23.119 -23.430 -9.202 1.00 0.00 C ATOM 636 OE1 GLU A 35 -23.244 -24.647 -8.951 1.00 0.00 O ATOM 637 OE2 GLU A 35 -24.084 -22.635 -9.231 1.00 0.00 O ATOM 0 H GLU A 35 -19.355 -20.671 -8.996 1.00 0.00 H new ATOM 0 HA GLU A 35 -22.044 -20.811 -7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -19.904 -22.885 -8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -21.327 -23.230 -7.416 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.816 -21.975 -10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -21.184 -23.610 -10.097 1.00 0.00 H new ATOM 644 N MET A 36 -19.717 -19.912 -6.145 1.00 0.00 N ATOM 645 CA MET A 36 -19.133 -19.637 -4.839 1.00 0.00 C ATOM 646 C MET A 36 -19.236 -18.150 -4.515 1.00 0.00 C ATOM 647 O MET A 36 -19.976 -17.415 -5.169 1.00 0.00 O ATOM 648 CB MET A 36 -17.668 -20.082 -4.807 1.00 0.00 C ATOM 649 CG MET A 36 -17.443 -21.479 -5.366 1.00 0.00 C ATOM 650 SD MET A 36 -16.303 -22.453 -4.366 1.00 0.00 S ATOM 651 CE MET A 36 -14.765 -22.179 -5.242 1.00 0.00 C ATOM 0 H MET A 36 -19.508 -19.209 -6.854 1.00 0.00 H new ATOM 0 HA MET A 36 -19.687 -20.199 -4.087 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.069 -19.371 -5.376 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.310 -20.049 -3.778 1.00 0.00 H new ATOM 0 HG2 MET A 36 -18.399 -21.999 -5.430 1.00 0.00 H new ATOM 0 HG3 MET A 36 -17.054 -21.401 -6.381 1.00 0.00 H new ATOM 0 HE1 MET A 36 -14.351 -23.136 -5.559 1.00 0.00 H new ATOM 0 HE2 MET A 36 -14.951 -21.557 -6.117 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.056 -21.677 -4.584 1.00 0.00 H new ATOM 661 N SER A 37 -18.493 -17.713 -3.507 1.00 0.00 N ATOM 662 CA SER A 37 -18.508 -16.312 -3.108 1.00 0.00 C ATOM 663 C SER A 37 -17.091 -15.791 -2.897 1.00 0.00 C ATOM 664 O SER A 37 -16.144 -16.569 -2.778 1.00 0.00 O ATOM 665 CB SER A 37 -19.326 -16.136 -1.826 1.00 0.00 C ATOM 666 OG SER A 37 -20.681 -15.853 -2.121 1.00 0.00 O ATOM 0 H SER A 37 -17.875 -18.305 -2.953 1.00 0.00 H new ATOM 0 HA SER A 37 -18.971 -15.736 -3.909 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.263 -17.042 -1.224 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.904 -15.327 -1.230 1.00 0.00 H new ATOM 0 HG SER A 37 -21.182 -15.747 -1.286 1.00 0.00 H new ATOM 672 N ASN A 38 -16.956 -14.470 -2.847 1.00 0.00 N ATOM 673 CA ASN A 38 -15.657 -13.836 -2.647 1.00 0.00 C ATOM 674 C ASN A 38 -14.974 -14.361 -1.387 1.00 0.00 C ATOM 675 O ASN A 38 -13.761 -14.240 -1.232 1.00 0.00 O ATOM 676 CB ASN A 38 -15.820 -12.319 -2.552 1.00 0.00 C ATOM 677 CG ASN A 38 -16.282 -11.703 -3.859 1.00 0.00 C ATOM 678 OD1 ASN A 38 -17.340 -12.052 -4.382 1.00 0.00 O ATOM 679 ND2 ASN A 38 -15.487 -10.784 -4.392 1.00 0.00 N ATOM 0 H ASN A 38 -17.733 -13.816 -2.943 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.030 -14.080 -3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.539 -12.082 -1.768 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -14.870 -11.872 -2.259 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -15.744 -10.335 -5.271 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -14.619 -10.526 -3.922 1.00 0.00 H new ATOM 686 N LEU A 39 -15.761 -14.941 -0.487 1.00 0.00 N ATOM 687 CA LEU A 39 -15.226 -15.482 0.755 1.00 0.00 C ATOM 688 C LEU A 39 -14.409 -16.740 0.491 1.00 0.00 C ATOM 689 O LEU A 39 -13.336 -16.927 1.065 1.00 0.00 O ATOM 690 CB LEU A 39 -16.362 -15.792 1.732 1.00 0.00 C ATOM 691 CG LEU A 39 -16.785 -14.625 2.627 1.00 0.00 C ATOM 692 CD1 LEU A 39 -18.294 -14.618 2.821 1.00 0.00 C ATOM 693 CD2 LEU A 39 -16.074 -14.699 3.970 1.00 0.00 C ATOM 0 H LEU A 39 -16.770 -15.048 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.571 -14.731 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.229 -16.126 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.058 -16.624 2.366 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.499 -13.695 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.575 -13.781 3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -18.785 -14.516 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -18.605 -15.552 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.387 -13.862 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.329 -15.636 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.996 -14.653 3.814 1.00 0.00 H new ATOM 705 N ASP A 40 -14.920 -17.599 -0.386 1.00 0.00 N ATOM 706 CA ASP A 40 -14.234 -18.839 -0.729 1.00 0.00 C ATOM 707 C ASP A 40 -12.875 -18.551 -1.356 1.00 0.00 C ATOM 708 O ASP A 40 -11.869 -19.155 -0.984 1.00 0.00 O ATOM 709 CB ASP A 40 -15.088 -19.669 -1.689 1.00 0.00 C ATOM 710 CG ASP A 40 -15.988 -20.651 -0.962 1.00 0.00 C ATOM 711 OD1 ASP A 40 -15.578 -21.151 0.105 1.00 0.00 O ATOM 712 OD2 ASP A 40 -17.101 -20.917 -1.463 1.00 0.00 O ATOM 0 H ASP A 40 -15.806 -17.459 -0.871 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.077 -19.406 0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.699 -19.002 -2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.436 -20.214 -2.372 1.00 0.00 H new ATOM 717 N LEU A 41 -12.854 -17.628 -2.311 1.00 0.00 N ATOM 718 CA LEU A 41 -11.614 -17.263 -2.990 1.00 0.00 C ATOM 719 C LEU A 41 -10.659 -16.545 -2.042 1.00 0.00 C ATOM 720 O LEU A 41 -9.441 -16.630 -2.195 1.00 0.00 O ATOM 721 CB LEU A 41 -11.902 -16.387 -4.216 1.00 0.00 C ATOM 722 CG LEU A 41 -13.142 -15.495 -4.122 1.00 0.00 C ATOM 723 CD1 LEU A 41 -12.874 -14.127 -4.733 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.327 -16.160 -4.806 1.00 0.00 C ATOM 0 H LEU A 41 -13.678 -17.120 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.136 -18.184 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.034 -15.753 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.010 -17.036 -5.085 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.382 -15.355 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.770 -13.511 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.054 -13.645 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.605 -14.244 -5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.201 -15.513 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.092 -16.331 -5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.539 -17.113 -4.322 1.00 0.00 H new ATOM 736 N THR A 42 -11.213 -15.840 -1.058 1.00 0.00 N ATOM 737 CA THR A 42 -10.395 -15.115 -0.088 1.00 0.00 C ATOM 738 C THR A 42 -9.471 -16.070 0.659 1.00 0.00 C ATOM 739 O THR A 42 -8.307 -15.756 0.905 1.00 0.00 O ATOM 740 CB THR A 42 -11.286 -14.361 0.902 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.021 -13.346 0.241 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.519 -13.705 2.030 1.00 0.00 C ATOM 0 H THR A 42 -12.219 -15.755 -0.911 1.00 0.00 H new ATOM 0 HA THR A 42 -9.782 -14.394 -0.629 1.00 0.00 H new ATOM 0 HB THR A 42 -11.944 -15.119 1.327 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.889 -13.702 -0.042 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.215 -13.190 2.692 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.979 -14.466 2.593 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.810 -12.987 1.618 1.00 0.00 H new ATOM 750 N LYS A 43 -9.992 -17.241 1.008 1.00 0.00 N ATOM 751 CA LYS A 43 -9.202 -18.245 1.714 1.00 0.00 C ATOM 752 C LYS A 43 -8.041 -18.687 0.841 1.00 0.00 C ATOM 753 O LYS A 43 -6.930 -18.916 1.319 1.00 0.00 O ATOM 754 CB LYS A 43 -10.058 -19.461 2.084 1.00 0.00 C ATOM 755 CG LYS A 43 -11.476 -19.119 2.511 1.00 0.00 C ATOM 756 CD LYS A 43 -11.573 -18.914 4.015 1.00 0.00 C ATOM 757 CE LYS A 43 -12.828 -19.553 4.586 1.00 0.00 C ATOM 758 NZ LYS A 43 -13.559 -18.627 5.497 1.00 0.00 N ATOM 0 H LYS A 43 -10.954 -17.519 0.815 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.825 -17.798 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.101 -20.135 1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.568 -20.003 2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.803 -18.215 1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.151 -19.919 2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.694 -19.341 4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.573 -17.847 4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.485 -19.854 3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.559 -20.459 5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.408 -19.101 5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.941 -18.360 6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.839 -17.773 4.973 1.00 0.00 H new ATOM 772 N ILE A 44 -8.319 -18.795 -0.452 1.00 0.00 N ATOM 773 CA ILE A 44 -7.314 -19.202 -1.428 1.00 0.00 C ATOM 774 C ILE A 44 -6.078 -18.309 -1.355 1.00 0.00 C ATOM 775 O ILE A 44 -4.949 -18.796 -1.298 1.00 0.00 O ATOM 776 CB ILE A 44 -7.867 -19.142 -2.866 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.173 -19.926 -2.987 1.00 0.00 C ATOM 778 CG2 ILE A 44 -6.843 -19.674 -3.856 1.00 0.00 C ATOM 779 CD1 ILE A 44 -9.777 -19.857 -4.372 1.00 0.00 C ATOM 0 H ILE A 44 -9.238 -18.605 -0.852 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.043 -20.229 -1.183 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.073 -18.098 -3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.990 -20.969 -2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.891 -19.539 -2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.252 -19.623 -4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.937 -19.071 -3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.605 -20.710 -3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.702 -20.433 -4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.990 -18.818 -4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.075 -20.270 -5.096 1.00 0.00 H new ATOM 791 N LEU A 45 -6.305 -16.999 -1.380 1.00 0.00 N ATOM 792 CA LEU A 45 -5.213 -16.033 -1.342 1.00 0.00 C ATOM 793 C LEU A 45 -4.753 -15.744 0.083 1.00 0.00 C ATOM 794 O LEU A 45 -3.651 -15.238 0.293 1.00 0.00 O ATOM 795 CB LEU A 45 -5.641 -14.740 -2.036 1.00 0.00 C ATOM 796 CG LEU A 45 -6.054 -14.904 -3.503 1.00 0.00 C ATOM 797 CD1 LEU A 45 -6.112 -13.554 -4.196 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.095 -15.835 -4.233 1.00 0.00 C ATOM 0 H LEU A 45 -7.235 -16.583 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.365 -16.468 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.476 -14.307 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.819 -14.026 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.049 -15.349 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.407 -13.691 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.841 -12.918 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.130 -13.082 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.407 -15.937 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.087 -15.421 -4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.103 -16.814 -3.754 1.00 0.00 H new ATOM 810 N SER A 46 -5.585 -16.074 1.064 1.00 0.00 N ATOM 811 CA SER A 46 -5.233 -15.852 2.459 1.00 0.00 C ATOM 812 C SER A 46 -4.364 -16.994 2.971 1.00 0.00 C ATOM 813 O SER A 46 -3.638 -16.848 3.953 1.00 0.00 O ATOM 814 CB SER A 46 -6.489 -15.711 3.318 1.00 0.00 C ATOM 815 OG SER A 46 -7.017 -16.980 3.667 1.00 0.00 O ATOM 0 H SER A 46 -6.503 -16.494 0.919 1.00 0.00 H new ATOM 0 HA SER A 46 -4.667 -14.923 2.528 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.253 -15.151 4.223 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.241 -15.138 2.776 1.00 0.00 H new ATOM 0 HG SER A 46 -6.846 -17.616 2.942 1.00 0.00 H new ATOM 821 N LYS A 47 -4.449 -18.131 2.290 1.00 0.00 N ATOM 822 CA LYS A 47 -3.685 -19.305 2.651 1.00 0.00 C ATOM 823 C LYS A 47 -2.418 -19.402 1.804 1.00 0.00 C ATOM 824 O LYS A 47 -1.374 -19.848 2.278 1.00 0.00 O ATOM 825 CB LYS A 47 -4.548 -20.542 2.445 1.00 0.00 C ATOM 826 CG LYS A 47 -4.052 -21.760 3.195 1.00 0.00 C ATOM 827 CD LYS A 47 -4.014 -21.514 4.695 1.00 0.00 C ATOM 828 CE LYS A 47 -4.900 -22.497 5.444 1.00 0.00 C ATOM 829 NZ LYS A 47 -4.934 -22.211 6.906 1.00 0.00 N ATOM 0 H LYS A 47 -5.049 -18.258 1.475 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.389 -19.233 3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.567 -20.321 2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.589 -20.773 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.701 -22.609 2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.055 -22.024 2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.988 -21.601 5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.340 -20.495 4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.912 -22.453 5.042 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.536 -23.511 5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.548 -22.903 7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.972 -22.278 7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.305 -21.252 7.064 1.00 0.00 H new ATOM 843 N LYS A 48 -2.524 -18.974 0.549 1.00 0.00 N ATOM 844 CA LYS A 48 -1.391 -19.005 -0.370 1.00 0.00 C ATOM 845 C LYS A 48 -0.373 -17.929 -0.008 1.00 0.00 C ATOM 846 O LYS A 48 0.769 -18.234 0.339 1.00 0.00 O ATOM 847 CB LYS A 48 -1.869 -18.806 -1.810 1.00 0.00 C ATOM 848 CG LYS A 48 -2.250 -20.100 -2.510 1.00 0.00 C ATOM 849 CD LYS A 48 -3.330 -19.869 -3.556 1.00 0.00 C ATOM 850 CE LYS A 48 -2.732 -19.591 -4.925 1.00 0.00 C ATOM 851 NZ LYS A 48 -3.501 -20.256 -6.012 1.00 0.00 N ATOM 0 H LYS A 48 -3.383 -18.602 0.145 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.912 -19.980 -0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.729 -18.137 -1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.082 -18.313 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.369 -20.532 -2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.603 -20.823 -1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.977 -20.745 -3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.956 -19.029 -3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.711 -18.515 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.699 -19.937 -4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.061 -20.042 -6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.500 -21.285 -5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.481 -19.907 -6.008 1.00 0.00 H new ATOM 865 N TYR A 49 -0.793 -16.668 -0.092 1.00 0.00 N ATOM 866 CA TYR A 49 0.073 -15.544 0.225 1.00 0.00 C ATOM 867 C TYR A 49 0.822 -15.767 1.536 1.00 0.00 C ATOM 868 O TYR A 49 1.946 -15.300 1.705 1.00 0.00 O ATOM 869 CB TYR A 49 -0.752 -14.265 0.307 1.00 0.00 C ATOM 870 CG TYR A 49 0.093 -13.038 0.506 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.774 -12.474 -0.560 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.219 -12.454 1.755 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.561 -11.352 -0.386 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.003 -11.334 1.941 1.00 0.00 C ATOM 875 CZ TYR A 49 1.673 -10.785 0.867 1.00 0.00 C ATOM 876 OH TYR A 49 2.457 -9.670 1.049 1.00 0.00 O ATOM 0 H TYR A 49 -1.735 -16.402 -0.379 1.00 0.00 H new ATOM 0 HA TYR A 49 0.813 -15.452 -0.570 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.335 -14.155 -0.608 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.462 -14.349 1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.689 -12.918 -1.541 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.305 -12.882 2.597 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.086 -10.921 -1.226 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.092 -10.890 2.921 1.00 0.00 H new ATOM 0 HH TYR A 49 2.425 -9.398 1.990 1.00 0.00 H new ATOM 886 N LYS A 50 0.196 -16.486 2.459 1.00 0.00 N ATOM 887 CA LYS A 50 0.815 -16.770 3.749 1.00 0.00 C ATOM 888 C LYS A 50 1.900 -17.824 3.601 1.00 0.00 C ATOM 889 O LYS A 50 3.082 -17.560 3.825 1.00 0.00 O ATOM 890 CB LYS A 50 -0.234 -17.252 4.748 1.00 0.00 C ATOM 891 CG LYS A 50 -0.859 -16.133 5.556 1.00 0.00 C ATOM 892 CD LYS A 50 -0.092 -15.878 6.845 1.00 0.00 C ATOM 893 CE LYS A 50 1.362 -15.523 6.575 1.00 0.00 C ATOM 894 NZ LYS A 50 2.130 -15.326 7.835 1.00 0.00 N ATOM 0 H LYS A 50 -0.736 -16.882 2.340 1.00 0.00 H new ATOM 0 HA LYS A 50 1.265 -15.849 4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.019 -17.783 4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.226 -17.968 5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.882 -15.221 4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.893 -16.386 5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.568 -15.067 7.397 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.139 -16.765 7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.826 -16.315 5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.408 -14.613 5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.116 -15.086 7.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.703 -14.553 8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.108 -16.202 8.395 1.00 0.00 H new ATOM 908 N GLU A 51 1.481 -19.025 3.221 1.00 0.00 N ATOM 909 CA GLU A 51 2.400 -20.146 3.034 1.00 0.00 C ATOM 910 C GLU A 51 3.630 -19.733 2.225 1.00 0.00 C ATOM 911 O GLU A 51 4.698 -20.329 2.361 1.00 0.00 O ATOM 912 CB GLU A 51 1.682 -21.306 2.342 1.00 0.00 C ATOM 913 CG GLU A 51 1.437 -22.499 3.252 1.00 0.00 C ATOM 914 CD GLU A 51 -0.006 -22.968 3.226 1.00 0.00 C ATOM 915 OE1 GLU A 51 -0.459 -23.435 2.160 1.00 0.00 O ATOM 916 OE2 GLU A 51 -0.681 -22.867 4.272 1.00 0.00 O ATOM 0 H GLU A 51 0.504 -19.250 3.035 1.00 0.00 H new ATOM 0 HA GLU A 51 2.739 -20.468 4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.726 -20.952 1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.273 -21.629 1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.087 -23.320 2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.710 -22.234 4.273 1.00 0.00 H new ATOM 923 N LEU A 52 3.474 -18.712 1.382 1.00 0.00 N ATOM 924 CA LEU A 52 4.574 -18.224 0.552 1.00 0.00 C ATOM 925 C LEU A 52 5.862 -18.083 1.364 1.00 0.00 C ATOM 926 O LEU A 52 5.880 -17.431 2.408 1.00 0.00 O ATOM 927 CB LEU A 52 4.206 -16.878 -0.082 1.00 0.00 C ATOM 928 CG LEU A 52 3.853 -16.941 -1.569 1.00 0.00 C ATOM 929 CD1 LEU A 52 2.837 -15.867 -1.925 1.00 0.00 C ATOM 930 CD2 LEU A 52 5.108 -16.795 -2.417 1.00 0.00 C ATOM 0 H LEU A 52 2.597 -18.207 1.256 1.00 0.00 H new ATOM 0 HA LEU A 52 4.747 -18.957 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.359 -16.457 0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.042 -16.191 0.049 1.00 0.00 H new ATOM 0 HG LEU A 52 3.406 -17.913 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.599 -15.929 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.929 -16.017 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.253 -14.884 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.841 -16.842 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.581 -15.836 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.802 -17.602 -2.182 1.00 0.00 H new ATOM 942 N PRO A 53 6.962 -18.701 0.892 1.00 0.00 N ATOM 943 CA PRO A 53 8.259 -18.648 1.578 1.00 0.00 C ATOM 944 C PRO A 53 8.943 -17.293 1.480 1.00 0.00 C ATOM 945 O PRO A 53 10.163 -17.197 1.604 1.00 0.00 O ATOM 946 CB PRO A 53 9.106 -19.672 0.833 1.00 0.00 C ATOM 947 CG PRO A 53 8.476 -19.814 -0.510 1.00 0.00 C ATOM 948 CD PRO A 53 7.016 -19.506 -0.341 1.00 0.00 C ATOM 0 HA PRO A 53 8.131 -18.839 2.644 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.140 -19.337 0.747 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.122 -20.625 1.361 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.934 -19.132 -1.226 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.616 -20.823 -0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.623 -18.955 -1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.424 -20.417 -0.249 1.00 0.00 H new ATOM 956 N GLU A 54 8.164 -16.259 1.231 1.00 0.00 N ATOM 957 CA GLU A 54 8.702 -14.910 1.085 1.00 0.00 C ATOM 958 C GLU A 54 9.760 -14.871 -0.016 1.00 0.00 C ATOM 959 O GLU A 54 10.486 -13.885 -0.152 1.00 0.00 O ATOM 960 CB GLU A 54 9.301 -14.393 2.403 1.00 0.00 C ATOM 961 CG GLU A 54 9.149 -15.344 3.579 1.00 0.00 C ATOM 962 CD GLU A 54 9.306 -14.650 4.918 1.00 0.00 C ATOM 963 OE1 GLU A 54 10.283 -13.890 5.081 1.00 0.00 O ATOM 964 OE2 GLU A 54 8.451 -14.866 5.802 1.00 0.00 O ATOM 0 H GLU A 54 7.152 -16.322 1.124 1.00 0.00 H new ATOM 0 HA GLU A 54 7.873 -14.257 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.361 -14.190 2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.827 -13.444 2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.169 -15.818 3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.891 -16.138 3.497 1.00 0.00 H new ATOM 971 N LYS A 55 9.842 -15.942 -0.805 1.00 0.00 N ATOM 972 CA LYS A 55 10.810 -16.006 -1.887 1.00 0.00 C ATOM 973 C LYS A 55 10.317 -15.195 -3.079 1.00 0.00 C ATOM 974 O LYS A 55 11.106 -14.612 -3.821 1.00 0.00 O ATOM 975 CB LYS A 55 11.056 -17.456 -2.302 1.00 0.00 C ATOM 976 CG LYS A 55 11.995 -18.206 -1.370 1.00 0.00 C ATOM 977 CD LYS A 55 13.427 -17.716 -1.509 1.00 0.00 C ATOM 978 CE LYS A 55 14.280 -18.143 -0.326 1.00 0.00 C ATOM 979 NZ LYS A 55 15.086 -19.356 -0.632 1.00 0.00 N ATOM 0 H LYS A 55 9.252 -16.769 -0.712 1.00 0.00 H new ATOM 0 HA LYS A 55 11.751 -15.583 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.101 -17.981 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.470 -17.471 -3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.664 -18.079 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.952 -19.273 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.859 -18.108 -2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.434 -16.629 -1.590 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.945 -17.327 -0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.638 -18.341 0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.654 -19.615 0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.451 -20.143 -0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.718 -19.160 -1.435 1.00 0.00 H new ATOM 993 N LYS A 56 8.996 -15.158 -3.248 1.00 0.00 N ATOM 994 CA LYS A 56 8.380 -14.415 -4.340 1.00 0.00 C ATOM 995 C LYS A 56 7.856 -13.069 -3.847 1.00 0.00 C ATOM 996 O LYS A 56 7.736 -12.117 -4.616 1.00 0.00 O ATOM 997 CB LYS A 56 7.244 -15.228 -4.962 1.00 0.00 C ATOM 998 CG LYS A 56 7.720 -16.474 -5.691 1.00 0.00 C ATOM 999 CD LYS A 56 6.991 -17.719 -5.211 1.00 0.00 C ATOM 1000 CE LYS A 56 5.781 -18.025 -6.080 1.00 0.00 C ATOM 1001 NZ LYS A 56 5.394 -19.461 -6.003 1.00 0.00 N ATOM 0 H LYS A 56 8.332 -15.636 -2.639 1.00 0.00 H new ATOM 0 HA LYS A 56 9.139 -14.233 -5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.545 -15.520 -4.178 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.695 -14.596 -5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.563 -16.351 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.792 -16.598 -5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.673 -18.569 -5.223 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.673 -17.580 -4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.942 -17.405 -5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.001 -17.763 -7.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.566 -19.630 -6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.186 -20.052 -6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.160 -19.705 -5.020 1.00 0.00 H new ATOM 1015 N LYS A 57 7.556 -12.998 -2.553 1.00 0.00 N ATOM 1016 CA LYS A 57 7.057 -11.770 -1.946 1.00 0.00 C ATOM 1017 C LYS A 57 8.094 -10.668 -2.074 1.00 0.00 C ATOM 1018 O LYS A 57 7.756 -9.516 -2.344 1.00 0.00 O ATOM 1019 CB LYS A 57 6.710 -12.012 -0.477 1.00 0.00 C ATOM 1020 CG LYS A 57 5.696 -13.124 -0.280 1.00 0.00 C ATOM 1021 CD LYS A 57 5.588 -13.531 1.180 1.00 0.00 C ATOM 1022 CE LYS A 57 4.139 -13.671 1.609 1.00 0.00 C ATOM 1023 NZ LYS A 57 4.014 -14.342 2.933 1.00 0.00 N ATOM 0 H LYS A 57 7.651 -13.779 -1.904 1.00 0.00 H new ATOM 0 HA LYS A 57 6.152 -11.458 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.621 -12.258 0.069 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.318 -11.091 -0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.721 -12.796 -0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.982 -13.988 -0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.108 -14.476 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.084 -12.788 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.678 -12.685 1.657 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.592 -14.243 0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.177 -14.959 2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.864 -14.912 3.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.913 -13.624 3.678 1.00 0.00 H new ATOM 1037 N MET A 58 9.364 -11.029 -1.904 1.00 0.00 N ATOM 1038 CA MET A 58 10.452 -10.068 -2.029 1.00 0.00 C ATOM 1039 C MET A 58 10.266 -9.239 -3.295 1.00 0.00 C ATOM 1040 O MET A 58 10.679 -8.081 -3.365 1.00 0.00 O ATOM 1041 CB MET A 58 11.795 -10.797 -2.072 1.00 0.00 C ATOM 1042 CG MET A 58 12.399 -11.040 -0.700 1.00 0.00 C ATOM 1043 SD MET A 58 13.201 -9.574 -0.024 1.00 0.00 S ATOM 1044 CE MET A 58 13.112 -9.919 1.732 1.00 0.00 C ATOM 0 H MET A 58 9.662 -11.978 -1.680 1.00 0.00 H new ATOM 0 HA MET A 58 10.441 -9.405 -1.164 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.663 -11.754 -2.577 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.496 -10.215 -2.670 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.617 -11.369 -0.016 1.00 0.00 H new ATOM 0 HG3 MET A 58 13.126 -11.849 -0.766 1.00 0.00 H new ATOM 0 HE1 MET A 58 13.569 -9.100 2.287 1.00 0.00 H new ATOM 0 HE2 MET A 58 12.069 -10.022 2.030 1.00 0.00 H new ATOM 0 HE3 MET A 58 13.644 -10.846 1.948 1.00 0.00 H new ATOM 1054 N LYS A 59 9.616 -9.845 -4.285 1.00 0.00 N ATOM 1055 CA LYS A 59 9.338 -9.178 -5.546 1.00 0.00 C ATOM 1056 C LYS A 59 8.217 -8.159 -5.359 1.00 0.00 C ATOM 1057 O LYS A 59 8.311 -7.020 -5.816 1.00 0.00 O ATOM 1058 CB LYS A 59 8.973 -10.227 -6.613 1.00 0.00 C ATOM 1059 CG LYS A 59 7.585 -10.084 -7.228 1.00 0.00 C ATOM 1060 CD LYS A 59 7.573 -9.050 -8.346 1.00 0.00 C ATOM 1061 CE LYS A 59 6.515 -7.984 -8.114 1.00 0.00 C ATOM 1062 NZ LYS A 59 6.957 -6.647 -8.599 1.00 0.00 N ATOM 0 H LYS A 59 9.271 -10.804 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 59 10.224 -8.641 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.712 -10.178 -7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.052 -11.218 -6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.258 -11.048 -7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.872 -9.795 -6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.554 -8.580 -8.417 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.387 -9.546 -9.299 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.595 -8.269 -8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.285 -7.926 -7.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.172 -5.970 -8.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.760 -6.318 -8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.249 -6.718 -9.595 1.00 0.00 H new ATOM 1076 N TYR A 60 7.161 -8.586 -4.675 1.00 0.00 N ATOM 1077 CA TYR A 60 6.016 -7.723 -4.411 1.00 0.00 C ATOM 1078 C TYR A 60 6.377 -6.640 -3.408 1.00 0.00 C ATOM 1079 O TYR A 60 6.104 -5.461 -3.631 1.00 0.00 O ATOM 1080 CB TYR A 60 4.845 -8.534 -3.872 1.00 0.00 C ATOM 1081 CG TYR A 60 4.357 -9.611 -4.812 1.00 0.00 C ATOM 1082 CD1 TYR A 60 4.064 -9.319 -6.138 1.00 0.00 C ATOM 1083 CD2 TYR A 60 4.183 -10.916 -4.372 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.613 -10.299 -7.000 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.733 -11.901 -5.227 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.448 -11.589 -6.540 1.00 0.00 C ATOM 1087 OH TYR A 60 2.999 -12.568 -7.395 1.00 0.00 O ATOM 0 H TYR A 60 7.075 -9.528 -4.292 1.00 0.00 H new ATOM 0 HA TYR A 60 5.729 -7.257 -5.354 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.140 -8.995 -2.929 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.019 -7.858 -3.651 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.191 -8.310 -6.501 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.403 -11.164 -3.344 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.391 -10.057 -8.029 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.604 -12.912 -4.870 1.00 0.00 H new ATOM 0 HH TYR A 60 2.066 -12.782 -7.186 1.00 0.00 H new ATOM 1097 N ILE A 61 6.995 -7.040 -2.298 1.00 0.00 N ATOM 1098 CA ILE A 61 7.385 -6.080 -1.275 1.00 0.00 C ATOM 1099 C ILE A 61 8.288 -5.013 -1.885 1.00 0.00 C ATOM 1100 O ILE A 61 8.294 -3.862 -1.445 1.00 0.00 O ATOM 1101 CB ILE A 61 8.106 -6.745 -0.079 1.00 0.00 C ATOM 1102 CG1 ILE A 61 7.109 -7.523 0.787 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.813 -5.694 0.767 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.407 -8.646 0.059 1.00 0.00 C ATOM 0 H ILE A 61 7.233 -8.010 -2.088 1.00 0.00 H new ATOM 0 HA ILE A 61 6.469 -5.629 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 61 8.847 -7.440 -0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.636 -7.935 1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.361 -6.830 1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.315 -6.179 1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.549 -5.170 0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.082 -4.980 1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.719 -9.147 0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.850 -8.240 -0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.145 -9.362 -0.303 1.00 0.00 H new ATOM 1116 N GLN A 62 9.030 -5.403 -2.917 1.00 0.00 N ATOM 1117 CA GLN A 62 9.915 -4.484 -3.609 1.00 0.00 C ATOM 1118 C GLN A 62 9.091 -3.504 -4.429 1.00 0.00 C ATOM 1119 O GLN A 62 9.550 -2.413 -4.765 1.00 0.00 O ATOM 1120 CB GLN A 62 10.881 -5.250 -4.515 1.00 0.00 C ATOM 1121 CG GLN A 62 12.176 -5.645 -3.826 1.00 0.00 C ATOM 1122 CD GLN A 62 13.377 -4.891 -4.364 1.00 0.00 C ATOM 1123 OE1 GLN A 62 13.614 -3.739 -4.004 1.00 0.00 O ATOM 1124 NE2 GLN A 62 14.144 -5.542 -5.232 1.00 0.00 N ATOM 0 H GLN A 62 9.033 -6.352 -3.290 1.00 0.00 H new ATOM 0 HA GLN A 62 10.500 -3.934 -2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.386 -6.149 -4.883 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.114 -4.636 -5.385 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.085 -5.460 -2.756 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.338 -6.716 -3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.910 -6.497 -5.503 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.967 -5.087 -5.627 1.00 0.00 H new ATOM 1133 N ASP A 63 7.856 -3.903 -4.738 1.00 0.00 N ATOM 1134 CA ASP A 63 6.955 -3.062 -5.504 1.00 0.00 C ATOM 1135 C ASP A 63 6.211 -2.111 -4.575 1.00 0.00 C ATOM 1136 O ASP A 63 5.820 -1.013 -4.972 1.00 0.00 O ATOM 1137 CB ASP A 63 5.959 -3.920 -6.289 1.00 0.00 C ATOM 1138 CG ASP A 63 5.891 -3.533 -7.754 1.00 0.00 C ATOM 1139 OD1 ASP A 63 6.133 -2.348 -8.068 1.00 0.00 O ATOM 1140 OD2 ASP A 63 5.594 -4.414 -8.588 1.00 0.00 O ATOM 0 H ASP A 63 7.463 -4.804 -4.466 1.00 0.00 H new ATOM 0 HA ASP A 63 7.542 -2.478 -6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.243 -4.969 -6.206 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.969 -3.822 -5.844 1.00 0.00 H new ATOM 1145 N PHE A 64 6.029 -2.541 -3.331 1.00 0.00 N ATOM 1146 CA PHE A 64 5.345 -1.737 -2.330 1.00 0.00 C ATOM 1147 C PHE A 64 6.298 -0.689 -1.760 1.00 0.00 C ATOM 1148 O PHE A 64 5.910 0.452 -1.509 1.00 0.00 O ATOM 1149 CB PHE A 64 4.802 -2.648 -1.217 1.00 0.00 C ATOM 1150 CG PHE A 64 5.056 -2.150 0.178 1.00 0.00 C ATOM 1151 CD1 PHE A 64 4.177 -1.266 0.784 1.00 0.00 C ATOM 1152 CD2 PHE A 64 6.172 -2.568 0.879 1.00 0.00 C ATOM 1153 CE1 PHE A 64 4.411 -0.808 2.067 1.00 0.00 C ATOM 1154 CE2 PHE A 64 6.411 -2.115 2.163 1.00 0.00 C ATOM 1155 CZ PHE A 64 5.530 -1.233 2.758 1.00 0.00 C ATOM 0 H PHE A 64 6.349 -3.448 -2.992 1.00 0.00 H new ATOM 0 HA PHE A 64 4.506 -1.218 -2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.728 -2.768 -1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.250 -3.636 -1.323 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.301 -0.932 0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.865 -3.256 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.720 -0.119 2.529 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.286 -2.450 2.700 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.715 -0.876 3.761 1.00 0.00 H new ATOM 1165 N GLN A 65 7.548 -1.091 -1.562 1.00 0.00 N ATOM 1166 CA GLN A 65 8.567 -0.202 -1.026 1.00 0.00 C ATOM 1167 C GLN A 65 8.944 0.865 -2.050 1.00 0.00 C ATOM 1168 O GLN A 65 9.162 2.026 -1.702 1.00 0.00 O ATOM 1169 CB GLN A 65 9.806 -1.004 -0.628 1.00 0.00 C ATOM 1170 CG GLN A 65 10.482 -1.688 -1.801 1.00 0.00 C ATOM 1171 CD GLN A 65 11.767 -2.390 -1.407 1.00 0.00 C ATOM 1172 OE1 GLN A 65 12.863 -1.866 -1.609 1.00 0.00 O ATOM 1173 NE2 GLN A 65 11.638 -3.585 -0.839 1.00 0.00 N ATOM 0 H GLN A 65 7.880 -2.034 -1.767 1.00 0.00 H new ATOM 0 HA GLN A 65 8.162 0.293 -0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 65 10.521 -0.338 -0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.522 -1.756 0.108 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.796 -2.413 -2.238 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.698 -0.949 -2.572 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.710 -3.982 -0.691 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.467 -4.105 -0.552 1.00 0.00 H new ATOM 1182 N ARG A 66 9.017 0.462 -3.315 1.00 0.00 N ATOM 1183 CA ARG A 66 9.365 1.378 -4.393 1.00 0.00 C ATOM 1184 C ARG A 66 8.347 2.509 -4.496 1.00 0.00 C ATOM 1185 O ARG A 66 8.714 3.680 -4.600 1.00 0.00 O ATOM 1186 CB ARG A 66 9.447 0.626 -5.723 1.00 0.00 C ATOM 1187 CG ARG A 66 10.859 0.216 -6.105 1.00 0.00 C ATOM 1188 CD ARG A 66 10.897 -0.446 -7.473 1.00 0.00 C ATOM 1189 NE ARG A 66 10.873 -1.904 -7.375 1.00 0.00 N ATOM 1190 CZ ARG A 66 10.543 -2.709 -8.382 1.00 0.00 C ATOM 1191 NH1 ARG A 66 10.208 -2.202 -9.564 1.00 0.00 N ATOM 1192 NH2 ARG A 66 10.546 -4.025 -8.210 1.00 0.00 N ATOM 0 H ARG A 66 8.839 -0.496 -3.618 1.00 0.00 H new ATOM 0 HA ARG A 66 10.340 1.811 -4.168 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.822 -0.265 -5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.034 1.255 -6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.506 1.093 -6.106 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.255 -0.471 -5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.045 -0.108 -8.063 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.797 -0.133 -8.003 1.00 0.00 H new ATOM 0 HE ARG A 66 11.124 -2.329 -6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.203 -1.191 -9.703 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.956 -2.823 -10.333 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.801 -4.420 -7.305 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.293 -4.641 -8.983 1.00 0.00 H new ATOM 1206 N GLU A 67 7.067 2.150 -4.466 1.00 0.00 N ATOM 1207 CA GLU A 67 5.994 3.135 -4.555 1.00 0.00 C ATOM 1208 C GLU A 67 6.125 4.183 -3.455 1.00 0.00 C ATOM 1209 O GLU A 67 5.827 5.359 -3.664 1.00 0.00 O ATOM 1210 CB GLU A 67 4.632 2.445 -4.457 1.00 0.00 C ATOM 1211 CG GLU A 67 3.978 2.197 -5.808 1.00 0.00 C ATOM 1212 CD GLU A 67 3.643 3.482 -6.538 1.00 0.00 C ATOM 1213 OE1 GLU A 67 4.122 4.554 -6.111 1.00 0.00 O ATOM 1214 OE2 GLU A 67 2.900 3.418 -7.541 1.00 0.00 O ATOM 0 H GLU A 67 6.748 1.185 -4.381 1.00 0.00 H new ATOM 0 HA GLU A 67 6.073 3.635 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.752 1.493 -3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.967 3.057 -3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.645 1.596 -6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.067 1.616 -5.665 1.00 0.00 H new ATOM 1221 N LYS A 68 6.570 3.745 -2.280 1.00 0.00 N ATOM 1222 CA LYS A 68 6.739 4.641 -1.143 1.00 0.00 C ATOM 1223 C LYS A 68 7.674 5.794 -1.487 1.00 0.00 C ATOM 1224 O LYS A 68 7.524 6.904 -0.976 1.00 0.00 O ATOM 1225 CB LYS A 68 7.276 3.868 0.064 1.00 0.00 C ATOM 1226 CG LYS A 68 6.232 3.612 1.139 1.00 0.00 C ATOM 1227 CD LYS A 68 6.794 2.764 2.268 1.00 0.00 C ATOM 1228 CE LYS A 68 5.989 2.933 3.546 1.00 0.00 C ATOM 1229 NZ LYS A 68 6.845 2.838 4.760 1.00 0.00 N ATOM 0 H LYS A 68 6.820 2.774 -2.092 1.00 0.00 H new ATOM 0 HA LYS A 68 5.764 5.058 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.676 2.913 -0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.106 4.424 0.501 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.878 4.563 1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.370 3.110 0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.792 1.715 1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.832 3.042 2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.485 3.900 3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.212 2.169 3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.257 2.959 5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.306 1.906 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.570 3.583 4.732 1.00 0.00 H new ATOM 1243 N GLN A 69 8.640 5.521 -2.352 1.00 0.00 N ATOM 1244 CA GLN A 69 9.603 6.531 -2.765 1.00 0.00 C ATOM 1245 C GLN A 69 9.244 7.122 -4.129 1.00 0.00 C ATOM 1246 O GLN A 69 9.918 8.028 -4.617 1.00 0.00 O ATOM 1247 CB GLN A 69 11.001 5.921 -2.807 1.00 0.00 C ATOM 1248 CG GLN A 69 12.119 6.951 -2.812 1.00 0.00 C ATOM 1249 CD GLN A 69 13.439 6.377 -3.289 1.00 0.00 C ATOM 1250 OE1 GLN A 69 14.237 5.883 -2.492 1.00 0.00 O ATOM 1251 NE2 GLN A 69 13.674 6.439 -4.595 1.00 0.00 N ATOM 0 H GLN A 69 8.778 4.606 -2.782 1.00 0.00 H new ATOM 0 HA GLN A 69 9.580 7.342 -2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.127 5.265 -1.945 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.089 5.298 -3.697 1.00 0.00 H new ATOM 0 HG2 GLN A 69 11.837 7.785 -3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.244 7.351 -1.806 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.983 6.858 -5.218 1.00 0.00 H new ATOM 0 HE22 GLN A 69 14.545 6.068 -4.975 1.00 0.00 H new ATOM 1260 N GLU A 70 8.184 6.600 -4.744 1.00 0.00 N ATOM 1261 CA GLU A 70 7.746 7.078 -6.049 1.00 0.00 C ATOM 1262 C GLU A 70 6.576 8.048 -5.919 1.00 0.00 C ATOM 1263 O GLU A 70 6.444 8.982 -6.708 1.00 0.00 O ATOM 1264 CB GLU A 70 7.346 5.898 -6.936 1.00 0.00 C ATOM 1265 CG GLU A 70 7.094 6.282 -8.385 1.00 0.00 C ATOM 1266 CD GLU A 70 6.644 5.108 -9.231 1.00 0.00 C ATOM 1267 OE1 GLU A 70 5.916 4.241 -8.704 1.00 0.00 O ATOM 1268 OE2 GLU A 70 7.021 5.055 -10.421 1.00 0.00 O ATOM 0 H GLU A 70 7.615 5.847 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 70 8.580 7.609 -6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.133 5.145 -6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.446 5.438 -6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.335 7.064 -8.423 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.006 6.702 -8.809 1.00 0.00 H new ATOM 1275 N PHE A 71 5.724 7.820 -4.922 1.00 0.00 N ATOM 1276 CA PHE A 71 4.565 8.679 -4.704 1.00 0.00 C ATOM 1277 C PHE A 71 4.918 9.860 -3.802 1.00 0.00 C ATOM 1278 O PHE A 71 4.336 10.939 -3.920 1.00 0.00 O ATOM 1279 CB PHE A 71 3.397 7.866 -4.118 1.00 0.00 C ATOM 1280 CG PHE A 71 3.424 7.701 -2.620 1.00 0.00 C ATOM 1281 CD1 PHE A 71 3.190 8.779 -1.781 1.00 0.00 C ATOM 1282 CD2 PHE A 71 3.672 6.460 -2.055 1.00 0.00 C ATOM 1283 CE1 PHE A 71 3.206 8.622 -0.408 1.00 0.00 C ATOM 1284 CE2 PHE A 71 3.689 6.297 -0.683 1.00 0.00 C ATOM 1285 CZ PHE A 71 3.456 7.380 0.142 1.00 0.00 C ATOM 0 H PHE A 71 5.814 7.052 -4.257 1.00 0.00 H new ATOM 0 HA PHE A 71 4.253 9.082 -5.667 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.461 8.349 -4.398 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.396 6.878 -4.577 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.993 9.753 -2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.854 5.610 -2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.023 9.470 0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.884 5.324 -0.256 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.469 7.256 1.215 1.00 0.00 H new ATOM 1295 N GLU A 72 5.872 9.648 -2.902 1.00 0.00 N ATOM 1296 CA GLU A 72 6.303 10.695 -1.979 1.00 0.00 C ATOM 1297 C GLU A 72 6.737 11.952 -2.732 1.00 0.00 C ATOM 1298 O GLU A 72 6.719 13.053 -2.181 1.00 0.00 O ATOM 1299 CB GLU A 72 7.454 10.188 -1.105 1.00 0.00 C ATOM 1300 CG GLU A 72 7.047 9.897 0.330 1.00 0.00 C ATOM 1301 CD GLU A 72 8.220 9.482 1.195 1.00 0.00 C ATOM 1302 OE1 GLU A 72 9.374 9.767 0.807 1.00 0.00 O ATOM 1303 OE2 GLU A 72 7.987 8.872 2.259 1.00 0.00 O ATOM 0 H GLU A 72 6.363 8.761 -2.791 1.00 0.00 H new ATOM 0 HA GLU A 72 5.455 10.953 -1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.863 9.280 -1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.252 10.930 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.580 10.784 0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.297 9.106 0.338 1.00 0.00 H new ATOM 1310 N ARG A 73 7.131 11.781 -3.990 1.00 0.00 N ATOM 1311 CA ARG A 73 7.574 12.900 -4.817 1.00 0.00 C ATOM 1312 C ARG A 73 6.555 14.037 -4.809 1.00 0.00 C ATOM 1313 O ARG A 73 6.826 15.123 -4.298 1.00 0.00 O ATOM 1314 CB ARG A 73 7.820 12.432 -6.252 1.00 0.00 C ATOM 1315 CG ARG A 73 9.261 12.034 -6.525 1.00 0.00 C ATOM 1316 CD ARG A 73 9.415 11.405 -7.901 1.00 0.00 C ATOM 1317 NE ARG A 73 10.651 11.821 -8.557 1.00 0.00 N ATOM 1318 CZ ARG A 73 10.869 11.714 -9.867 1.00 0.00 C ATOM 1319 NH1 ARG A 73 9.936 11.204 -10.661 1.00 0.00 N ATOM 1320 NH2 ARG A 73 12.022 12.115 -10.382 1.00 0.00 N ATOM 0 H ARG A 73 7.153 10.876 -4.461 1.00 0.00 H new ATOM 0 HA ARG A 73 8.506 13.277 -4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.171 11.582 -6.464 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.536 13.229 -6.939 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.902 12.912 -6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.596 11.330 -5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.402 10.319 -7.807 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.564 11.681 -8.523 1.00 0.00 H new ATOM 0 HE ARG A 73 11.392 12.217 -7.978 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.048 10.892 -10.269 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.107 11.124 -11.663 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.743 12.506 -9.776 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.189 12.033 -11.385 1.00 0.00 H new ATOM 1334 N ASN A 74 5.385 13.782 -5.386 1.00 0.00 N ATOM 1335 CA ASN A 74 4.330 14.788 -5.452 1.00 0.00 C ATOM 1336 C ASN A 74 3.605 14.916 -4.116 1.00 0.00 C ATOM 1337 O ASN A 74 3.239 16.017 -3.702 1.00 0.00 O ATOM 1338 CB ASN A 74 3.331 14.434 -6.557 1.00 0.00 C ATOM 1339 CG ASN A 74 3.487 15.319 -7.778 1.00 0.00 C ATOM 1340 OD1 ASN A 74 3.773 14.839 -8.875 1.00 0.00 O ATOM 1341 ND2 ASN A 74 3.295 16.621 -7.594 1.00 0.00 N ATOM 0 H ASN A 74 5.143 12.888 -5.814 1.00 0.00 H new ATOM 0 HA ASN A 74 4.794 15.747 -5.681 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.467 13.392 -6.846 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.316 14.528 -6.170 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.383 17.266 -8.380 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.059 16.976 -6.667 1.00 0.00 H new ATOM 1348 N LEU A 75 3.395 13.787 -3.447 1.00 0.00 N ATOM 1349 CA LEU A 75 2.708 13.777 -2.161 1.00 0.00 C ATOM 1350 C LEU A 75 3.418 14.674 -1.150 1.00 0.00 C ATOM 1351 O LEU A 75 2.783 15.475 -0.464 1.00 0.00 O ATOM 1352 CB LEU A 75 2.614 12.348 -1.618 1.00 0.00 C ATOM 1353 CG LEU A 75 1.294 11.634 -1.907 1.00 0.00 C ATOM 1354 CD1 LEU A 75 0.151 12.303 -1.158 1.00 0.00 C ATOM 1355 CD2 LEU A 75 1.014 11.616 -3.403 1.00 0.00 C ATOM 0 H LEU A 75 3.691 12.867 -3.774 1.00 0.00 H new ATOM 0 HA LEU A 75 1.702 14.166 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.428 11.760 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.767 12.374 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 75 1.376 10.604 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.781 11.782 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.347 12.265 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.068 13.343 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.070 11.104 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.951 12.639 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.820 11.092 -3.918 1.00 0.00 H new ATOM 1367 N ALA A 76 4.737 14.537 -1.064 1.00 0.00 N ATOM 1368 CA ALA A 76 5.535 15.333 -0.135 1.00 0.00 C ATOM 1369 C ALA A 76 5.187 16.818 -0.223 1.00 0.00 C ATOM 1370 O ALA A 76 5.339 17.558 0.749 1.00 0.00 O ATOM 1371 CB ALA A 76 7.018 15.123 -0.402 1.00 0.00 C ATOM 0 H ALA A 76 5.278 13.881 -1.627 1.00 0.00 H new ATOM 0 HA ALA A 76 5.302 14.997 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.602 15.722 0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.265 14.069 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.251 15.427 -1.423 1.00 0.00 H new ATOM 1377 N ARG A 77 4.722 17.247 -1.392 1.00 0.00 N ATOM 1378 CA ARG A 77 4.357 18.644 -1.602 1.00 0.00 C ATOM 1379 C ARG A 77 3.027 18.975 -0.932 1.00 0.00 C ATOM 1380 O ARG A 77 2.784 20.117 -0.544 1.00 0.00 O ATOM 1381 CB ARG A 77 4.277 18.951 -3.099 1.00 0.00 C ATOM 1382 CG ARG A 77 3.901 20.392 -3.407 1.00 0.00 C ATOM 1383 CD ARG A 77 2.668 20.476 -4.291 1.00 0.00 C ATOM 1384 NE ARG A 77 3.009 20.772 -5.680 1.00 0.00 N ATOM 1385 CZ ARG A 77 2.193 20.550 -6.709 1.00 0.00 C ATOM 1386 NH1 ARG A 77 0.988 20.029 -6.508 1.00 0.00 N ATOM 1387 NH2 ARG A 77 2.582 20.850 -7.939 1.00 0.00 N ATOM 0 H ARG A 77 4.589 16.649 -2.207 1.00 0.00 H new ATOM 0 HA ARG A 77 5.131 19.264 -1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.240 18.730 -3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.545 18.287 -3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.718 20.927 -2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.737 20.888 -3.900 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.124 19.533 -4.245 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.000 21.248 -3.909 1.00 0.00 H new ATOM 0 HE ARG A 77 3.927 21.173 -5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.684 19.797 -5.562 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.367 19.861 -7.299 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.506 21.251 -8.098 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.957 20.680 -8.727 1.00 0.00 H new ATOM 1401 N PHE A 78 2.166 17.970 -0.799 1.00 0.00 N ATOM 1402 CA PHE A 78 0.859 18.162 -0.178 1.00 0.00 C ATOM 1403 C PHE A 78 0.863 17.688 1.272 1.00 0.00 C ATOM 1404 O PHE A 78 0.237 18.299 2.138 1.00 0.00 O ATOM 1405 CB PHE A 78 -0.218 17.417 -0.968 1.00 0.00 C ATOM 1406 CG PHE A 78 -0.766 18.203 -2.124 1.00 0.00 C ATOM 1407 CD1 PHE A 78 -1.177 19.516 -1.953 1.00 0.00 C ATOM 1408 CD2 PHE A 78 -0.870 17.631 -3.382 1.00 0.00 C ATOM 1409 CE1 PHE A 78 -1.680 20.243 -3.014 1.00 0.00 C ATOM 1410 CE2 PHE A 78 -1.373 18.354 -4.447 1.00 0.00 C ATOM 1411 CZ PHE A 78 -1.778 19.662 -4.264 1.00 0.00 C ATOM 0 H PHE A 78 2.349 17.017 -1.112 1.00 0.00 H new ATOM 0 HA PHE A 78 0.636 19.229 -0.188 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.198 16.481 -1.340 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.036 17.157 -0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.103 19.976 -0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.555 16.609 -3.532 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.997 21.265 -2.867 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.449 17.896 -5.422 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.170 20.229 -5.095 1.00 0.00 H new ATOM 1421 N ARG A 79 1.572 16.592 1.531 1.00 0.00 N ATOM 1422 CA ARG A 79 1.658 16.031 2.877 1.00 0.00 C ATOM 1423 C ARG A 79 2.057 17.096 3.896 1.00 0.00 C ATOM 1424 O ARG A 79 1.710 17.002 5.072 1.00 0.00 O ATOM 1425 CB ARG A 79 2.665 14.879 2.907 1.00 0.00 C ATOM 1426 CG ARG A 79 2.241 13.675 2.082 1.00 0.00 C ATOM 1427 CD ARG A 79 0.887 13.143 2.528 1.00 0.00 C ATOM 1428 NE ARG A 79 -0.185 13.550 1.624 1.00 0.00 N ATOM 1429 CZ ARG A 79 -1.358 12.927 1.533 1.00 0.00 C ATOM 1430 NH1 ARG A 79 -1.615 11.867 2.293 1.00 0.00 N ATOM 1431 NH2 ARG A 79 -2.277 13.363 0.684 1.00 0.00 N ATOM 0 H ARG A 79 2.096 16.074 0.826 1.00 0.00 H new ATOM 0 HA ARG A 79 0.671 15.654 3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.626 15.239 2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.815 14.566 3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.195 13.952 1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.990 12.888 2.173 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.924 12.055 2.580 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.669 13.503 3.534 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.025 14.361 1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.912 11.528 2.950 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.515 11.393 2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.086 14.177 0.099 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.175 12.885 0.615 1.00 0.00 H new ATOM 1445 N GLU A 80 2.791 18.106 3.438 1.00 0.00 N ATOM 1446 CA GLU A 80 3.238 19.187 4.316 1.00 0.00 C ATOM 1447 C GLU A 80 2.068 19.772 5.106 1.00 0.00 C ATOM 1448 O GLU A 80 1.855 19.418 6.267 1.00 0.00 O ATOM 1449 CB GLU A 80 3.938 20.291 3.512 1.00 0.00 C ATOM 1450 CG GLU A 80 3.403 20.471 2.098 1.00 0.00 C ATOM 1451 CD GLU A 80 3.256 21.929 1.711 1.00 0.00 C ATOM 1452 OE1 GLU A 80 2.314 22.583 2.206 1.00 0.00 O ATOM 1453 OE2 GLU A 80 4.083 22.417 0.911 1.00 0.00 O ATOM 0 H GLU A 80 3.089 18.200 2.467 1.00 0.00 H new ATOM 0 HA GLU A 80 3.953 18.765 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.838 21.234 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.003 20.066 3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.074 19.978 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.435 19.977 2.014 1.00 0.00 H new ATOM 1460 N ASP A 81 1.309 20.665 4.476 1.00 0.00 N ATOM 1461 CA ASP A 81 0.159 21.291 5.122 1.00 0.00 C ATOM 1462 C ASP A 81 0.538 21.861 6.490 1.00 0.00 C ATOM 1463 O ASP A 81 1.716 21.954 6.830 1.00 0.00 O ATOM 1464 CB ASP A 81 -0.977 20.279 5.277 1.00 0.00 C ATOM 1465 CG ASP A 81 -2.336 20.889 4.996 1.00 0.00 C ATOM 1466 OD1 ASP A 81 -2.397 21.885 4.247 1.00 0.00 O ATOM 1467 OD2 ASP A 81 -3.341 20.369 5.526 1.00 0.00 O ATOM 0 H ASP A 81 1.470 20.972 3.517 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.176 22.113 4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.810 19.442 4.599 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.965 19.876 6.290 1.00 0.00 H new ATOM 1472 N HIS A 82 -0.473 22.240 7.265 1.00 0.00 N ATOM 1473 CA HIS A 82 -0.249 22.798 8.595 1.00 0.00 C ATOM 1474 C HIS A 82 -0.536 21.755 9.675 1.00 0.00 C ATOM 1475 O HIS A 82 -1.691 21.394 9.905 1.00 0.00 O ATOM 1476 CB HIS A 82 -1.136 24.026 8.808 1.00 0.00 C ATOM 1477 CG HIS A 82 -0.725 24.864 9.978 1.00 0.00 C ATOM 1478 ND1 HIS A 82 -1.625 25.571 10.750 1.00 0.00 N ATOM 1479 CD2 HIS A 82 0.496 25.107 10.510 1.00 0.00 C ATOM 1480 CE1 HIS A 82 -0.974 26.213 11.703 1.00 0.00 C ATOM 1481 NE2 HIS A 82 0.314 25.946 11.581 1.00 0.00 N ATOM 0 H HIS A 82 -1.454 22.171 6.996 1.00 0.00 H new ATOM 0 HA HIS A 82 0.797 23.095 8.669 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.116 24.639 7.907 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.166 23.700 8.949 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.438 24.714 10.157 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -1.419 26.848 12.454 1.00 0.00 H new ATOM 0 HE2 HIS A 82 1.053 26.305 12.185 1.00 0.00 H new ATOM 1490 N PRO A 83 0.512 21.250 10.355 1.00 0.00 N ATOM 1491 CA PRO A 83 0.353 20.245 11.411 1.00 0.00 C ATOM 1492 C PRO A 83 -0.358 20.801 12.640 1.00 0.00 C ATOM 1493 O PRO A 83 -0.206 21.975 12.978 1.00 0.00 O ATOM 1494 CB PRO A 83 1.792 19.856 11.757 1.00 0.00 C ATOM 1495 CG PRO A 83 2.612 21.031 11.351 1.00 0.00 C ATOM 1496 CD PRO A 83 1.925 21.619 10.150 1.00 0.00 C ATOM 0 HA PRO A 83 -0.261 19.406 11.082 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.900 19.647 12.821 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.098 18.957 11.223 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.677 21.760 12.159 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.632 20.731 11.109 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.056 22.700 10.101 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.318 21.208 9.220 1.00 0.00 H new ATOM 1504 N ASP A 84 -1.135 19.950 13.304 1.00 0.00 N ATOM 1505 CA ASP A 84 -1.870 20.359 14.496 1.00 0.00 C ATOM 1506 C ASP A 84 -2.449 19.147 15.220 1.00 0.00 C ATOM 1507 O ASP A 84 -3.533 19.218 15.798 1.00 0.00 O ATOM 1508 CB ASP A 84 -2.992 21.329 14.121 1.00 0.00 C ATOM 1509 CG ASP A 84 -3.938 20.750 13.089 1.00 0.00 C ATOM 1510 OD1 ASP A 84 -3.455 20.084 12.149 1.00 0.00 O ATOM 1511 OD2 ASP A 84 -5.162 20.960 13.222 1.00 0.00 O ATOM 0 H ASP A 84 -1.272 18.975 13.037 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.174 20.862 15.167 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.554 21.593 15.017 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -2.557 22.251 13.734 1.00 0.00 H new ATOM 1516 N LEU A 85 -1.718 18.038 15.187 1.00 0.00 N ATOM 1517 CA LEU A 85 -2.157 16.810 15.843 1.00 0.00 C ATOM 1518 C LEU A 85 -1.045 16.238 16.715 1.00 0.00 C ATOM 1519 O LEU A 85 0.137 16.378 16.403 1.00 0.00 O ATOM 1520 CB LEU A 85 -2.592 15.777 14.799 1.00 0.00 C ATOM 1521 CG LEU A 85 -4.101 15.528 14.726 1.00 0.00 C ATOM 1522 CD1 LEU A 85 -4.556 15.417 13.278 1.00 0.00 C ATOM 1523 CD2 LEU A 85 -4.472 14.272 15.501 1.00 0.00 C ATOM 0 H LEU A 85 -0.818 17.963 14.713 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.008 17.048 16.481 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.245 16.105 13.819 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.093 14.832 15.014 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.612 16.377 15.181 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.631 15.240 13.247 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.325 16.343 12.752 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.038 14.588 12.796 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.548 14.110 15.438 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.951 13.415 15.075 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.183 14.390 16.545 1.00 0.00 H new ATOM 1535 N ILE A 86 -1.430 15.597 17.817 1.00 0.00 N ATOM 1536 CA ILE A 86 -0.460 15.011 18.737 1.00 0.00 C ATOM 1537 C ILE A 86 0.480 14.043 18.014 1.00 0.00 C ATOM 1538 O ILE A 86 1.687 14.272 17.962 1.00 0.00 O ATOM 1539 CB ILE A 86 -1.159 14.294 19.919 1.00 0.00 C ATOM 1540 CG1 ILE A 86 -0.144 13.506 20.755 1.00 0.00 C ATOM 1541 CG2 ILE A 86 -2.269 13.375 19.426 1.00 0.00 C ATOM 1542 CD1 ILE A 86 0.968 14.364 21.318 1.00 0.00 C ATOM 0 H ILE A 86 -2.404 15.471 18.093 1.00 0.00 H new ATOM 0 HA ILE A 86 0.134 15.832 19.139 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.609 15.059 20.552 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.665 13.015 21.577 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.291 12.720 20.138 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.741 12.886 20.278 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.013 13.960 18.886 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.848 12.620 18.761 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.649 13.742 21.898 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.514 14.835 20.500 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.543 15.134 21.961 1.00 0.00 H new ATOM 1554 N GLN A 87 -0.077 12.971 17.450 1.00 0.00 N ATOM 1555 CA GLN A 87 0.714 11.977 16.725 1.00 0.00 C ATOM 1556 C GLN A 87 -0.141 10.764 16.367 1.00 0.00 C ATOM 1557 O GLN A 87 -1.076 10.419 17.088 1.00 0.00 O ATOM 1558 CB GLN A 87 1.922 11.527 17.557 1.00 0.00 C ATOM 1559 CG GLN A 87 2.764 10.454 16.880 1.00 0.00 C ATOM 1560 CD GLN A 87 3.752 9.804 17.828 1.00 0.00 C ATOM 1561 OE1 GLN A 87 3.377 9.308 18.890 1.00 0.00 O ATOM 1562 NE2 GLN A 87 5.024 9.805 17.447 1.00 0.00 N ATOM 0 H GLN A 87 -1.076 12.769 17.482 1.00 0.00 H new ATOM 0 HA GLN A 87 1.072 12.443 15.807 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.551 12.392 17.766 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.571 11.149 18.517 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.107 9.689 16.466 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.306 10.896 16.044 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.290 10.228 16.558 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.735 9.383 18.044 1.00 0.00 H new ATOM 1571 N ASN A 88 0.187 10.120 15.248 1.00 0.00 N ATOM 1572 CA ASN A 88 -0.545 8.940 14.788 1.00 0.00 C ATOM 1573 C ASN A 88 -1.886 9.325 14.164 1.00 0.00 C ATOM 1574 O ASN A 88 -2.204 8.905 13.051 1.00 0.00 O ATOM 1575 CB ASN A 88 -0.768 7.958 15.944 1.00 0.00 C ATOM 1576 CG ASN A 88 -0.324 6.550 15.601 1.00 0.00 C ATOM 1577 OD1 ASN A 88 -1.049 5.584 15.835 1.00 0.00 O ATOM 1578 ND2 ASN A 88 0.875 6.427 15.043 1.00 0.00 N ATOM 0 H ASN A 88 0.958 10.397 14.641 1.00 0.00 H new ATOM 0 HA ASN A 88 0.061 8.455 14.022 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.222 8.304 16.822 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.825 7.948 16.210 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.228 5.504 14.791 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.443 7.256 14.867 1.00 0.00 H new ATOM 1585 N ALA A 89 -2.670 10.119 14.887 1.00 0.00 N ATOM 1586 CA ALA A 89 -3.975 10.553 14.402 1.00 0.00 C ATOM 1587 C ALA A 89 -4.916 9.365 14.234 1.00 0.00 C ATOM 1588 O ALA A 89 -5.280 9.001 13.115 1.00 0.00 O ATOM 1589 CB ALA A 89 -3.832 11.310 13.090 1.00 0.00 C ATOM 0 H ALA A 89 -2.424 10.475 15.811 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.406 11.225 15.144 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.816 11.626 12.743 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.202 12.186 13.242 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.375 10.661 12.343 1.00 0.00 H new ATOM 1595 N LYS A 90 -5.305 8.762 15.353 1.00 0.00 N ATOM 1596 CA LYS A 90 -6.202 7.613 15.331 1.00 0.00 C ATOM 1597 C LYS A 90 -7.627 8.028 15.685 1.00 0.00 C ATOM 1598 O LYS A 90 -8.503 8.075 14.822 1.00 0.00 O ATOM 1599 CB LYS A 90 -5.710 6.539 16.305 1.00 0.00 C ATOM 1600 CG LYS A 90 -5.467 5.190 15.647 1.00 0.00 C ATOM 1601 CD LYS A 90 -5.609 4.052 16.644 1.00 0.00 C ATOM 1602 CE LYS A 90 -4.260 3.632 17.206 1.00 0.00 C ATOM 1603 NZ LYS A 90 -3.744 2.401 16.546 1.00 0.00 N ATOM 0 H LYS A 90 -5.013 9.051 16.287 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.205 7.203 14.321 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.785 6.879 16.771 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.444 6.419 17.102 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.174 5.050 14.830 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.468 5.171 15.211 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.264 4.360 17.459 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.084 3.199 16.159 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.543 4.443 17.074 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.351 3.458 18.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.823 2.147 16.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.416 1.621 16.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.633 2.574 15.527 1.00 0.00 H new ATOM 1617 N LYS A 91 -7.851 8.326 16.961 1.00 0.00 N ATOM 1618 CA LYS A 91 -9.169 8.736 17.430 1.00 0.00 C ATOM 1619 C LYS A 91 -9.535 10.115 16.887 1.00 0.00 C ATOM 1620 O LYS A 91 -8.763 11.067 17.124 1.00 0.00 O ATOM 1621 CB LYS A 91 -9.208 8.744 18.960 1.00 0.00 C ATOM 1622 CG LYS A 91 -10.306 7.871 19.545 1.00 0.00 C ATOM 1623 CD LYS A 91 -10.061 7.576 21.017 1.00 0.00 C ATOM 1624 CE LYS A 91 -9.640 6.130 21.234 1.00 0.00 C ATOM 1625 NZ LYS A 91 -8.212 5.908 20.876 1.00 0.00 N ATOM 0 H LYS A 91 -7.137 8.291 17.688 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.901 8.017 17.061 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.245 8.406 19.341 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.346 9.768 19.306 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.269 8.369 19.428 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.362 6.935 18.990 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.287 8.242 21.399 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.968 7.781 21.586 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.799 5.858 22.278 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.271 5.474 20.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.964 4.911 21.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.065 6.143 19.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.608 6.515 21.466 1.00 0.00 H new TER 1639 LYS A 91