USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 620 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 42 LYS NZ :NH3+ 161:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 74 ASN : amide:sc= 1.98 K(o=3.2,f=-6.4!) USER MOD Set 2.1: A 17 ASN : amide:sc= 0.728 X(o=1.6,f=1.7) USER MOD Set 2.2: A 20 ASN : amide:sc= 0.878 X(o=1.6,f=1.7) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0416 (180deg=-0.379) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 168:sc= 1.27 (180deg=1.11) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 175:sc=-0.00323 (180deg=-0.0309) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.057) USER MOD Single : A 28 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.7!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.583 X(o=-0.58,f=-0.46) USER MOD Single : A 38 GLN : amide:sc=-0.00738 X(o=-0.0074,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0119 K(o=-0.012,f=-1.2) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -179:sc= 1.72 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.800 -14.683 -0.683 1.00 0.00 N ATOM 2 CA MET A 1 11.020 -15.682 -1.446 1.00 0.00 C ATOM 3 C MET A 1 10.380 -16.828 -0.743 1.00 0.00 C ATOM 4 O MET A 1 9.546 -17.509 -1.339 1.00 0.00 O ATOM 5 CB MET A 1 11.879 -16.230 -2.599 1.00 0.00 C ATOM 6 CG MET A 1 12.877 -17.332 -2.239 1.00 0.00 C ATOM 7 SD MET A 1 14.081 -17.722 -3.545 1.00 0.00 S ATOM 8 CE MET A 1 12.902 -18.310 -4.795 1.00 0.00 C ATOM 0 H1 MET A 1 12.170 -13.961 -1.334 1.00 0.00 H new ATOM 0 H2 MET A 1 11.187 -14.230 0.024 1.00 0.00 H new ATOM 0 H3 MET A 1 12.593 -15.155 -0.203 1.00 0.00 H new ATOM 0 HA MET A 1 10.159 -15.091 -1.759 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.211 -16.613 -3.371 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.431 -15.399 -3.039 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.419 -17.034 -1.341 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.324 -18.238 -1.991 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.439 -18.847 -5.577 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.179 -18.978 -4.327 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.380 -17.459 -5.232 1.00 0.00 H new ATOM 20 N LYS A 2 10.712 -17.150 0.520 1.00 0.00 N ATOM 21 CA LYS A 2 10.305 -18.377 1.131 1.00 0.00 C ATOM 22 C LYS A 2 8.857 -18.439 1.476 1.00 0.00 C ATOM 23 O LYS A 2 8.174 -19.386 1.092 1.00 0.00 O ATOM 24 CB LYS A 2 11.169 -18.707 2.361 1.00 0.00 C ATOM 25 CG LYS A 2 12.586 -19.171 2.020 1.00 0.00 C ATOM 26 CD LYS A 2 12.654 -20.655 1.652 1.00 0.00 C ATOM 27 CE LYS A 2 13.924 -21.092 0.918 1.00 0.00 C ATOM 28 NZ LYS A 2 15.143 -20.873 1.727 1.00 0.00 N ATOM 0 H LYS A 2 11.271 -16.550 1.126 1.00 0.00 H new ATOM 0 HA LYS A 2 10.464 -19.139 0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.230 -17.824 2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.673 -19.484 2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.967 -18.578 1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.239 -18.983 2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.562 -21.243 2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.793 -20.897 1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.847 -22.148 0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.008 -20.540 -0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.977 -21.184 1.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.233 -19.862 1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.077 -21.420 2.609 1.00 0.00 H new ATOM 42 N LYS A 3 8.300 -17.440 2.185 1.00 0.00 N ATOM 43 CA LYS A 3 6.891 -17.382 2.424 1.00 0.00 C ATOM 44 C LYS A 3 6.144 -16.863 1.245 1.00 0.00 C ATOM 45 O LYS A 3 5.877 -17.624 0.317 1.00 0.00 O ATOM 46 CB LYS A 3 6.559 -16.648 3.735 1.00 0.00 C ATOM 47 CG LYS A 3 7.108 -17.386 4.958 1.00 0.00 C ATOM 48 CD LYS A 3 6.646 -16.800 6.295 1.00 0.00 C ATOM 49 CE LYS A 3 5.209 -17.171 6.665 1.00 0.00 C ATOM 50 NZ LYS A 3 4.820 -16.480 7.914 1.00 0.00 N ATOM 0 H LYS A 3 8.828 -16.669 2.594 1.00 0.00 H new ATOM 0 HA LYS A 3 6.542 -18.405 2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.974 -15.641 3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.478 -16.544 3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.804 -18.431 4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.197 -17.369 4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.315 -17.145 7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.733 -15.714 6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.532 -16.892 5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.124 -18.250 6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.793 -16.568 8.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.317 -16.912 8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.076 -15.474 7.848 1.00 0.00 H new ATOM 64 N VAL A 4 5.803 -15.562 1.206 1.00 0.00 N ATOM 65 CA VAL A 4 5.090 -14.903 0.155 1.00 0.00 C ATOM 66 C VAL A 4 3.682 -15.347 -0.041 1.00 0.00 C ATOM 67 O VAL A 4 3.429 -16.496 -0.402 1.00 0.00 O ATOM 68 CB VAL A 4 5.836 -14.884 -1.146 1.00 0.00 C ATOM 69 CG1 VAL A 4 5.021 -14.184 -2.246 1.00 0.00 C ATOM 70 CG2 VAL A 4 7.183 -14.170 -0.941 1.00 0.00 C ATOM 0 H VAL A 4 6.044 -14.925 1.965 1.00 0.00 H new ATOM 0 HA VAL A 4 5.021 -13.878 0.518 1.00 0.00 H new ATOM 0 HB VAL A 4 6.008 -15.911 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.589 -14.186 -3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.080 -14.713 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.816 -13.156 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.732 -14.152 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.006 -13.149 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.767 -14.703 -0.191 1.00 0.00 H new ATOM 80 N ILE A 5 2.678 -14.472 0.144 1.00 0.00 N ATOM 81 CA ILE A 5 1.328 -14.920 -0.009 1.00 0.00 C ATOM 82 C ILE A 5 0.873 -14.727 -1.415 1.00 0.00 C ATOM 83 O ILE A 5 0.441 -15.669 -2.076 1.00 0.00 O ATOM 84 CB ILE A 5 0.383 -14.291 0.972 1.00 0.00 C ATOM 85 CG1 ILE A 5 0.850 -14.558 2.412 1.00 0.00 C ATOM 86 CG2 ILE A 5 -1.025 -14.881 0.786 1.00 0.00 C ATOM 87 CD1 ILE A 5 1.770 -13.489 3.002 1.00 0.00 C ATOM 0 H ILE A 5 2.791 -13.489 0.391 1.00 0.00 H new ATOM 0 HA ILE A 5 1.317 -15.986 0.217 1.00 0.00 H new ATOM 0 HB ILE A 5 0.363 -13.216 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.028 -14.653 3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.368 -15.517 2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.709 -14.422 1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.372 -14.682 -0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.994 -15.957 0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.045 -13.767 4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.670 -13.407 2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.252 -12.530 3.015 1.00 0.00 H new ATOM 99 N ALA A 6 0.922 -13.483 -1.926 1.00 0.00 N ATOM 100 CA ALA A 6 0.276 -13.208 -3.171 1.00 0.00 C ATOM 101 C ALA A 6 0.707 -11.957 -3.856 1.00 0.00 C ATOM 102 O ALA A 6 1.295 -11.054 -3.263 1.00 0.00 O ATOM 103 CB ALA A 6 -1.241 -13.105 -2.940 1.00 0.00 C ATOM 0 H ALA A 6 1.394 -12.689 -1.492 1.00 0.00 H new ATOM 0 HA ALA A 6 0.560 -14.035 -3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.740 -12.895 -3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.612 -14.046 -2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.448 -12.300 -2.235 1.00 0.00 H new ATOM 109 N THR A 7 0.442 -11.859 -5.171 1.00 0.00 N ATOM 110 CA THR A 7 0.449 -10.692 -5.998 1.00 0.00 C ATOM 111 C THR A 7 -0.927 -10.254 -6.360 1.00 0.00 C ATOM 112 O THR A 7 -1.848 -11.070 -6.351 1.00 0.00 O ATOM 113 CB THR A 7 1.220 -10.856 -7.275 1.00 0.00 C ATOM 114 OG1 THR A 7 0.770 -11.959 -8.048 1.00 0.00 O ATOM 115 CG2 THR A 7 2.698 -11.124 -6.948 1.00 0.00 C ATOM 0 H THR A 7 0.197 -12.689 -5.710 1.00 0.00 H new ATOM 0 HA THR A 7 0.944 -9.940 -5.383 1.00 0.00 H new ATOM 0 HB THR A 7 1.077 -9.936 -7.842 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.302 -12.022 -8.869 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.260 -11.243 -7.874 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.104 -10.285 -6.383 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.780 -12.034 -6.354 1.00 0.00 H new ATOM 123 N LYS A 8 -1.144 -8.978 -6.726 1.00 0.00 N ATOM 124 CA LYS A 8 -2.390 -8.390 -7.110 1.00 0.00 C ATOM 125 C LYS A 8 -3.466 -8.491 -6.084 1.00 0.00 C ATOM 126 O LYS A 8 -4.548 -9.035 -6.300 1.00 0.00 O ATOM 127 CB LYS A 8 -2.856 -8.880 -8.491 1.00 0.00 C ATOM 128 CG LYS A 8 -1.880 -8.563 -9.627 1.00 0.00 C ATOM 129 CD LYS A 8 -2.236 -9.288 -10.927 1.00 0.00 C ATOM 130 CE LYS A 8 -1.379 -8.924 -12.141 1.00 0.00 C ATOM 131 NZ LYS A 8 0.066 -9.050 -11.846 1.00 0.00 N ATOM 0 H LYS A 8 -0.381 -8.301 -6.755 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.184 -7.323 -7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.011 -9.958 -8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.821 -8.428 -8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.872 -7.488 -9.805 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.871 -8.843 -9.323 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.157 -10.362 -10.757 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.279 -9.079 -11.165 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.638 -9.573 -12.978 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.600 -7.902 -12.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.614 -8.878 -12.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.335 -8.353 -11.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.266 -10.008 -11.494 1.00 0.00 H new ATOM 145 N VAL A 9 -3.190 -7.950 -4.883 1.00 0.00 N ATOM 146 CA VAL A 9 -3.916 -8.074 -3.659 1.00 0.00 C ATOM 147 C VAL A 9 -4.420 -6.721 -3.291 1.00 0.00 C ATOM 148 O VAL A 9 -3.820 -5.720 -3.679 1.00 0.00 O ATOM 149 CB VAL A 9 -3.007 -8.533 -2.557 1.00 0.00 C ATOM 150 CG1 VAL A 9 -3.829 -8.955 -1.328 1.00 0.00 C ATOM 151 CG2 VAL A 9 -2.171 -9.740 -3.018 1.00 0.00 C ATOM 0 H VAL A 9 -2.366 -7.361 -4.761 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.725 -8.793 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.349 -7.703 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.156 -9.286 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.416 -8.107 -0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.498 -9.771 -1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.517 -10.061 -2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.836 -10.559 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.568 -9.457 -3.880 1.00 0.00 H new ATOM 161 N LEU A 10 -5.544 -6.623 -2.559 1.00 0.00 N ATOM 162 CA LEU A 10 -6.087 -5.364 -2.150 1.00 0.00 C ATOM 163 C LEU A 10 -6.366 -5.266 -0.690 1.00 0.00 C ATOM 164 O LEU A 10 -6.378 -6.234 0.069 1.00 0.00 O ATOM 165 CB LEU A 10 -7.330 -4.993 -2.979 1.00 0.00 C ATOM 166 CG LEU A 10 -6.972 -4.688 -4.443 1.00 0.00 C ATOM 167 CD1 LEU A 10 -7.108 -5.897 -5.383 1.00 0.00 C ATOM 168 CD2 LEU A 10 -7.805 -3.498 -4.952 1.00 0.00 C ATOM 0 H LEU A 10 -6.084 -7.429 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.303 -4.633 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.048 -5.813 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.816 -4.124 -2.535 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.913 -4.428 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.838 -5.602 -6.397 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.444 -6.694 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.138 -6.253 -5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.545 -3.289 -5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.865 -3.741 -4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.595 -2.620 -4.342 1.00 0.00 H new ATOM 180 N GLY A 11 -6.568 -4.020 -0.227 1.00 0.00 N ATOM 181 CA GLY A 11 -6.777 -3.738 1.160 1.00 0.00 C ATOM 182 C GLY A 11 -7.237 -2.333 1.345 1.00 0.00 C ATOM 183 O GLY A 11 -7.393 -1.597 0.371 1.00 0.00 O ATOM 0 H GLY A 11 -6.587 -3.194 -0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.517 -4.426 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.852 -3.899 1.713 1.00 0.00 H new ATOM 187 N THR A 12 -7.348 -1.900 2.614 1.00 0.00 N ATOM 188 CA THR A 12 -7.933 -0.633 2.926 1.00 0.00 C ATOM 189 C THR A 12 -6.886 0.228 3.544 1.00 0.00 C ATOM 190 O THR A 12 -6.151 -0.147 4.456 1.00 0.00 O ATOM 191 CB THR A 12 -9.041 -0.767 3.928 1.00 0.00 C ATOM 192 OG1 THR A 12 -10.068 -1.582 3.382 1.00 0.00 O ATOM 193 CG2 THR A 12 -9.732 0.576 4.220 1.00 0.00 C ATOM 0 H THR A 12 -7.031 -2.430 3.426 1.00 0.00 H new ATOM 0 HA THR A 12 -8.331 -0.209 2.004 1.00 0.00 H new ATOM 0 HB THR A 12 -8.587 -1.174 4.832 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.794 -1.674 4.034 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.526 0.425 4.951 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.002 1.282 4.617 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.158 0.974 3.299 1.00 0.00 H new ATOM 201 N VAL A 13 -6.747 1.456 3.015 1.00 0.00 N ATOM 202 CA VAL A 13 -5.766 2.411 3.426 1.00 0.00 C ATOM 203 C VAL A 13 -6.230 3.249 4.568 1.00 0.00 C ATOM 204 O VAL A 13 -7.412 3.553 4.723 1.00 0.00 O ATOM 205 CB VAL A 13 -5.306 3.210 2.243 1.00 0.00 C ATOM 206 CG1 VAL A 13 -6.406 4.162 1.744 1.00 0.00 C ATOM 207 CG2 VAL A 13 -4.019 4.009 2.515 1.00 0.00 C ATOM 0 H VAL A 13 -7.347 1.799 2.265 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.900 1.876 3.815 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.081 2.478 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.038 4.725 0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.282 3.584 1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.679 4.853 2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.740 4.565 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.190 4.705 3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.215 3.323 2.782 1.00 0.00 H new ATOM 217 N LYS A 14 -5.293 3.658 5.442 1.00 0.00 N ATOM 218 CA LYS A 14 -5.467 4.730 6.372 1.00 0.00 C ATOM 219 C LYS A 14 -4.741 5.898 5.801 1.00 0.00 C ATOM 220 O LYS A 14 -5.210 6.590 4.899 1.00 0.00 O ATOM 221 CB LYS A 14 -4.922 4.351 7.759 1.00 0.00 C ATOM 222 CG LYS A 14 -5.968 3.742 8.694 1.00 0.00 C ATOM 223 CD LYS A 14 -6.856 4.838 9.286 1.00 0.00 C ATOM 224 CE LYS A 14 -7.942 4.339 10.240 1.00 0.00 C ATOM 225 NZ LYS A 14 -8.745 5.500 10.683 1.00 0.00 N ATOM 0 H LYS A 14 -4.373 3.222 5.503 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.522 4.962 6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.104 3.642 7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.504 5.241 8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.580 3.025 8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.473 3.193 9.495 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.225 5.550 9.818 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.331 5.381 8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.577 3.607 9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.492 3.839 11.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.490 5.179 11.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.130 6.182 11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.181 5.956 9.856 1.00 0.00 H new ATOM 239 N TRP A 15 -3.511 6.148 6.286 1.00 0.00 N ATOM 240 CA TRP A 15 -2.632 7.135 5.741 1.00 0.00 C ATOM 241 C TRP A 15 -1.253 6.603 5.932 1.00 0.00 C ATOM 242 O TRP A 15 -1.069 5.444 6.299 1.00 0.00 O ATOM 243 CB TRP A 15 -2.855 8.504 6.406 1.00 0.00 C ATOM 244 CG TRP A 15 -2.143 9.686 5.791 1.00 0.00 C ATOM 245 CD1 TRP A 15 -1.970 9.985 4.471 1.00 0.00 C ATOM 246 CD2 TRP A 15 -1.445 10.703 6.536 1.00 0.00 C ATOM 247 NE1 TRP A 15 -1.201 11.111 4.340 1.00 0.00 N ATOM 248 CE2 TRP A 15 -0.895 11.583 5.596 1.00 0.00 C ATOM 249 CE3 TRP A 15 -1.277 10.903 7.878 1.00 0.00 C ATOM 250 CZ2 TRP A 15 -0.188 12.684 5.996 1.00 0.00 C ATOM 251 CZ3 TRP A 15 -0.562 12.012 8.266 1.00 0.00 C ATOM 252 CH2 TRP A 15 -0.030 12.887 7.347 1.00 0.00 C ATOM 0 H TRP A 15 -3.116 5.647 7.082 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.818 7.312 4.682 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.925 8.713 6.402 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.549 8.428 7.449 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.380 9.417 3.649 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.905 11.530 3.458 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -1.689 10.218 8.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.232 13.370 5.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.414 12.201 9.319 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.522 13.749 7.693 1.00 0.00 H new ATOM 263 N PHE A 16 -0.218 7.422 5.675 1.00 0.00 N ATOM 264 CA PHE A 16 1.167 7.061 5.684 1.00 0.00 C ATOM 265 C PHE A 16 1.882 7.971 6.624 1.00 0.00 C ATOM 266 O PHE A 16 1.371 9.004 7.056 1.00 0.00 O ATOM 267 CB PHE A 16 1.777 7.209 4.281 1.00 0.00 C ATOM 268 CG PHE A 16 1.102 6.317 3.297 1.00 0.00 C ATOM 269 CD1 PHE A 16 1.556 5.032 3.114 1.00 0.00 C ATOM 270 CD2 PHE A 16 0.016 6.751 2.575 1.00 0.00 C ATOM 271 CE1 PHE A 16 0.928 4.186 2.230 1.00 0.00 C ATOM 272 CE2 PHE A 16 -0.624 5.905 1.700 1.00 0.00 C ATOM 273 CZ PHE A 16 -0.175 4.617 1.530 1.00 0.00 C ATOM 0 H PHE A 16 -0.359 8.406 5.445 1.00 0.00 H new ATOM 0 HA PHE A 16 1.266 6.022 5.997 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.692 8.245 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.840 6.973 4.318 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.414 4.684 3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.337 7.764 2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.301 3.183 2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.482 6.254 1.145 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.684 3.948 0.852 1.00 0.00 H new ATOM 283 N ASN A 17 3.131 7.620 6.981 1.00 0.00 N ATOM 284 CA ASN A 17 4.063 8.529 7.571 1.00 0.00 C ATOM 285 C ASN A 17 4.769 9.189 6.437 1.00 0.00 C ATOM 286 O ASN A 17 5.783 8.696 5.946 1.00 0.00 O ATOM 287 CB ASN A 17 5.026 7.766 8.498 1.00 0.00 C ATOM 288 CG ASN A 17 6.189 8.627 8.969 1.00 0.00 C ATOM 289 OD1 ASN A 17 6.029 9.695 9.558 1.00 0.00 O ATOM 290 ND2 ASN A 17 7.430 8.173 8.645 1.00 0.00 N ATOM 0 H ASN A 17 3.502 6.678 6.856 1.00 0.00 H new ATOM 0 HA ASN A 17 3.576 9.279 8.194 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.476 7.399 9.365 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.414 6.893 7.974 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.254 8.722 8.891 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.536 7.284 8.156 1.00 0.00 H new ATOM 297 N VAL A 18 4.274 10.340 5.946 1.00 0.00 N ATOM 298 CA VAL A 18 4.708 11.031 4.772 1.00 0.00 C ATOM 299 C VAL A 18 6.073 11.616 4.889 1.00 0.00 C ATOM 300 O VAL A 18 6.796 11.689 3.895 1.00 0.00 O ATOM 301 CB VAL A 18 3.726 12.082 4.346 1.00 0.00 C ATOM 302 CG1 VAL A 18 2.488 11.394 3.747 1.00 0.00 C ATOM 303 CG2 VAL A 18 3.330 13.010 5.507 1.00 0.00 C ATOM 0 H VAL A 18 3.507 10.826 6.411 1.00 0.00 H new ATOM 0 HA VAL A 18 4.761 10.265 3.999 1.00 0.00 H new ATOM 0 HB VAL A 18 4.199 12.713 3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.768 12.150 3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.785 10.797 2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.033 10.747 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.618 13.754 5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.873 12.422 6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.218 13.512 5.891 1.00 0.00 H new ATOM 313 N ARG A 19 6.486 12.022 6.103 1.00 0.00 N ATOM 314 CA ARG A 19 7.729 12.682 6.360 1.00 0.00 C ATOM 315 C ARG A 19 8.909 11.840 6.014 1.00 0.00 C ATOM 316 O ARG A 19 9.841 12.326 5.377 1.00 0.00 O ATOM 317 CB ARG A 19 7.743 13.110 7.838 1.00 0.00 C ATOM 318 CG ARG A 19 8.873 14.077 8.196 1.00 0.00 C ATOM 319 CD ARG A 19 8.866 14.631 9.622 1.00 0.00 C ATOM 320 NE ARG A 19 7.686 15.535 9.724 1.00 0.00 N ATOM 321 CZ ARG A 19 7.523 16.458 10.718 1.00 0.00 C ATOM 322 NH1 ARG A 19 8.416 16.593 11.742 1.00 0.00 N ATOM 323 NH2 ARG A 19 6.428 17.272 10.671 1.00 0.00 N ATOM 0 H ARG A 19 5.927 11.884 6.945 1.00 0.00 H new ATOM 0 HA ARG A 19 7.809 13.559 5.717 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.788 13.578 8.079 1.00 0.00 H new ATOM 0 HB3 ARG A 19 7.829 12.221 8.462 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.823 13.569 8.031 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.837 14.917 7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.799 13.823 10.351 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.788 15.173 9.831 1.00 0.00 H new ATOM 0 HE ARG A 19 6.959 15.461 9.012 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.240 15.993 11.783 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.260 17.294 12.466 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.758 17.182 9.907 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.280 17.970 11.399 1.00 0.00 H new ATOM 337 N ASN A 20 8.952 10.538 6.347 1.00 0.00 N ATOM 338 CA ASN A 20 9.899 9.607 5.819 1.00 0.00 C ATOM 339 C ASN A 20 9.419 8.893 4.601 1.00 0.00 C ATOM 340 O ASN A 20 10.213 8.612 3.704 1.00 0.00 O ATOM 341 CB ASN A 20 10.255 8.530 6.858 1.00 0.00 C ATOM 342 CG ASN A 20 10.734 9.129 8.172 1.00 0.00 C ATOM 343 OD1 ASN A 20 9.959 9.380 9.094 1.00 0.00 O ATOM 344 ND2 ASN A 20 12.071 9.358 8.271 1.00 0.00 N ATOM 0 H ASN A 20 8.301 10.117 7.010 1.00 0.00 H new ATOM 0 HA ASN A 20 10.766 10.214 5.557 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.381 7.905 7.044 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.031 7.881 6.453 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.459 9.749 9.129 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.685 9.138 7.487 1.00 0.00 H new ATOM 351 N GLY A 21 8.121 8.554 4.522 1.00 0.00 N ATOM 352 CA GLY A 21 7.554 7.950 3.356 1.00 0.00 C ATOM 353 C GLY A 21 7.245 6.500 3.508 1.00 0.00 C ATOM 354 O GLY A 21 7.328 5.729 2.552 1.00 0.00 O ATOM 0 H GLY A 21 7.454 8.701 5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.638 8.480 3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.244 8.077 2.522 1.00 0.00 H new ATOM 358 N TYR A 22 6.829 6.064 4.709 1.00 0.00 N ATOM 359 CA TYR A 22 6.527 4.693 4.983 1.00 0.00 C ATOM 360 C TYR A 22 5.134 4.560 5.495 1.00 0.00 C ATOM 361 O TYR A 22 4.514 5.517 5.957 1.00 0.00 O ATOM 362 CB TYR A 22 7.458 4.105 6.058 1.00 0.00 C ATOM 363 CG TYR A 22 8.888 4.079 5.639 1.00 0.00 C ATOM 364 CD1 TYR A 22 9.305 3.263 4.614 1.00 0.00 C ATOM 365 CD2 TYR A 22 9.813 4.838 6.317 1.00 0.00 C ATOM 366 CE1 TYR A 22 10.635 3.189 4.272 1.00 0.00 C ATOM 367 CE2 TYR A 22 11.146 4.767 5.985 1.00 0.00 C ATOM 368 CZ TYR A 22 11.556 3.931 4.973 1.00 0.00 C ATOM 369 OH TYR A 22 12.938 3.815 4.717 1.00 0.00 O ATOM 0 H TYR A 22 6.699 6.680 5.511 1.00 0.00 H new ATOM 0 HA TYR A 22 6.658 4.155 4.044 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.364 4.691 6.972 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.136 3.091 6.294 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.580 2.674 4.072 1.00 0.00 H new ATOM 0 HD2 TYR A 22 9.491 5.493 7.114 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.953 2.553 3.459 1.00 0.00 H new ATOM 0 HE2 TYR A 22 11.869 5.367 6.518 1.00 0.00 H new ATOM 0 HH TYR A 22 13.432 4.419 5.310 1.00 0.00 H new ATOM 379 N GLY A 23 4.580 3.335 5.459 1.00 0.00 N ATOM 380 CA GLY A 23 3.348 3.048 6.127 1.00 0.00 C ATOM 381 C GLY A 23 2.897 1.685 5.730 1.00 0.00 C ATOM 382 O GLY A 23 3.487 1.081 4.836 1.00 0.00 O ATOM 0 H GLY A 23 4.987 2.540 4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.482 3.102 7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.593 3.788 5.862 1.00 0.00 H new ATOM 386 N PHE A 24 1.845 1.151 6.377 1.00 0.00 N ATOM 387 CA PHE A 24 1.265 -0.103 6.009 1.00 0.00 C ATOM 388 C PHE A 24 -0.158 0.040 5.587 1.00 0.00 C ATOM 389 O PHE A 24 -0.816 1.038 5.875 1.00 0.00 O ATOM 390 CB PHE A 24 1.399 -1.168 7.110 1.00 0.00 C ATOM 391 CG PHE A 24 0.727 -0.842 8.399 1.00 0.00 C ATOM 392 CD1 PHE A 24 1.326 -0.014 9.320 1.00 0.00 C ATOM 393 CD2 PHE A 24 -0.497 -1.396 8.690 1.00 0.00 C ATOM 394 CE1 PHE A 24 0.710 0.270 10.516 1.00 0.00 C ATOM 395 CE2 PHE A 24 -1.108 -1.126 9.892 1.00 0.00 C ATOM 396 CZ PHE A 24 -0.516 -0.284 10.803 1.00 0.00 C ATOM 0 H PHE A 24 1.389 1.599 7.171 1.00 0.00 H new ATOM 0 HA PHE A 24 1.839 -0.452 5.150 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.992 -2.107 6.735 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.459 -1.334 7.304 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.291 0.418 9.101 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.979 -2.044 7.974 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.188 0.926 11.228 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.061 -1.579 10.122 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.010 -0.059 11.737 1.00 0.00 H new ATOM 406 N ILE A 25 -0.641 -0.911 4.769 1.00 0.00 N ATOM 407 CA ILE A 25 -2.024 -1.050 4.431 1.00 0.00 C ATOM 408 C ILE A 25 -2.540 -2.212 5.207 1.00 0.00 C ATOM 409 O ILE A 25 -1.764 -3.104 5.545 1.00 0.00 O ATOM 410 CB ILE A 25 -2.241 -1.276 2.963 1.00 0.00 C ATOM 411 CG1 ILE A 25 -1.293 -0.459 2.069 1.00 0.00 C ATOM 412 CG2 ILE A 25 -3.700 -1.001 2.560 1.00 0.00 C ATOM 413 CD1 ILE A 25 -1.446 1.058 2.171 1.00 0.00 C ATOM 0 H ILE A 25 -0.046 -1.611 4.325 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.551 -0.127 4.675 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.012 -2.329 2.798 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.266 -0.722 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.453 -0.755 1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.821 -1.175 1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.362 -1.667 3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.952 0.034 2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.734 1.541 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.460 1.341 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.254 1.375 3.196 1.00 0.00 H new ATOM 425 N ASN A 26 -3.854 -2.297 5.483 1.00 0.00 N ATOM 426 CA ASN A 26 -4.445 -3.489 6.007 1.00 0.00 C ATOM 427 C ASN A 26 -5.332 -4.124 4.992 1.00 0.00 C ATOM 428 O ASN A 26 -6.502 -3.771 4.844 1.00 0.00 O ATOM 429 CB ASN A 26 -5.232 -3.210 7.299 1.00 0.00 C ATOM 430 CG ASN A 26 -4.347 -3.035 8.525 1.00 0.00 C ATOM 431 OD1 ASN A 26 -4.661 -2.234 9.404 1.00 0.00 O ATOM 432 ND2 ASN A 26 -3.277 -3.861 8.676 1.00 0.00 N ATOM 0 H ASN A 26 -4.513 -1.531 5.341 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.635 -4.177 6.250 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.831 -2.310 7.162 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.926 -4.031 7.476 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.720 -3.823 9.529 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.032 -4.519 7.936 1.00 0.00 H new ATOM 439 N ARG A 27 -4.779 -5.118 4.274 1.00 0.00 N ATOM 440 CA ARG A 27 -5.371 -6.123 3.445 1.00 0.00 C ATOM 441 C ARG A 27 -6.680 -6.688 3.879 1.00 0.00 C ATOM 442 O ARG A 27 -6.959 -6.844 5.066 1.00 0.00 O ATOM 443 CB ARG A 27 -4.364 -7.284 3.366 1.00 0.00 C ATOM 444 CG ARG A 27 -4.555 -8.276 2.216 1.00 0.00 C ATOM 445 CD ARG A 27 -3.789 -9.568 2.506 1.00 0.00 C ATOM 446 NE ARG A 27 -4.080 -10.584 1.456 1.00 0.00 N ATOM 447 CZ ARG A 27 -3.709 -11.889 1.609 1.00 0.00 C ATOM 448 NH1 ARG A 27 -3.043 -12.336 2.713 1.00 0.00 N ATOM 449 NH2 ARG A 27 -4.127 -12.832 0.715 1.00 0.00 N ATOM 0 H ARG A 27 -3.765 -5.228 4.280 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.590 -5.626 2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.362 -6.862 3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.406 -7.837 4.304 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.615 -8.494 2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.202 -7.836 1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.719 -9.365 2.540 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.071 -9.955 3.485 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.566 -10.299 0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.805 -11.687 3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.784 -13.320 2.789 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.719 -12.563 -0.071 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.848 -13.806 0.833 1.00 0.00 H new ATOM 463 N ASN A 28 -7.543 -7.071 2.920 1.00 0.00 N ATOM 464 CA ASN A 28 -8.812 -7.668 3.201 1.00 0.00 C ATOM 465 C ASN A 28 -8.821 -9.013 3.841 1.00 0.00 C ATOM 466 O ASN A 28 -9.886 -9.510 4.202 1.00 0.00 O ATOM 467 CB ASN A 28 -9.700 -7.601 1.947 1.00 0.00 C ATOM 468 CG ASN A 28 -9.095 -8.314 0.745 1.00 0.00 C ATOM 469 OD1 ASN A 28 -8.598 -9.434 0.858 1.00 0.00 O ATOM 470 ND2 ASN A 28 -9.115 -7.665 -0.450 1.00 0.00 N ATOM 0 H ASN A 28 -7.353 -6.963 1.924 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.230 -7.059 4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.670 -8.043 2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.877 -6.557 1.690 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.712 -8.106 -1.277 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.533 -6.737 -0.519 1.00 0.00 H new ATOM 477 N ASP A 29 -7.673 -9.693 4.010 1.00 0.00 N ATOM 478 CA ASP A 29 -7.625 -11.052 4.455 1.00 0.00 C ATOM 479 C ASP A 29 -7.713 -11.170 5.938 1.00 0.00 C ATOM 480 O ASP A 29 -8.799 -11.477 6.426 1.00 0.00 O ATOM 481 CB ASP A 29 -6.391 -11.748 3.857 1.00 0.00 C ATOM 482 CG ASP A 29 -6.547 -13.259 3.747 1.00 0.00 C ATOM 483 OD1 ASP A 29 -7.377 -13.726 2.922 1.00 0.00 O ATOM 484 OD2 ASP A 29 -5.800 -13.997 4.444 1.00 0.00 O ATOM 0 H ASP A 29 -6.754 -9.288 3.833 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.509 -11.573 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.195 -11.337 2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.521 -11.523 4.474 1.00 0.00 H new ATOM 489 N THR A 30 -6.653 -10.937 6.733 1.00 0.00 N ATOM 490 CA THR A 30 -6.718 -11.114 8.150 1.00 0.00 C ATOM 491 C THR A 30 -6.400 -9.800 8.774 1.00 0.00 C ATOM 492 O THR A 30 -6.174 -9.647 9.974 1.00 0.00 O ATOM 493 CB THR A 30 -5.839 -12.229 8.635 1.00 0.00 C ATOM 494 OG1 THR A 30 -6.245 -12.728 9.901 1.00 0.00 O ATOM 495 CG2 THR A 30 -4.348 -11.863 8.754 1.00 0.00 C ATOM 0 H THR A 30 -5.745 -10.624 6.391 1.00 0.00 H new ATOM 0 HA THR A 30 -7.720 -11.426 8.445 1.00 0.00 H new ATOM 0 HB THR A 30 -5.955 -12.986 7.859 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.645 -13.453 10.175 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.788 -12.728 9.111 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.968 -11.563 7.777 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.231 -11.039 9.458 1.00 0.00 H new ATOM 503 N LYS A 31 -6.360 -8.766 7.914 1.00 0.00 N ATOM 504 CA LYS A 31 -5.981 -7.414 8.188 1.00 0.00 C ATOM 505 C LYS A 31 -4.581 -7.316 8.688 1.00 0.00 C ATOM 506 O LYS A 31 -4.323 -6.932 9.828 1.00 0.00 O ATOM 507 CB LYS A 31 -6.973 -6.726 9.142 1.00 0.00 C ATOM 508 CG LYS A 31 -8.379 -6.437 8.614 1.00 0.00 C ATOM 509 CD LYS A 31 -9.359 -7.608 8.720 1.00 0.00 C ATOM 510 CE LYS A 31 -10.812 -7.140 8.631 1.00 0.00 C ATOM 511 NZ LYS A 31 -11.748 -8.276 8.788 1.00 0.00 N ATOM 0 H LYS A 31 -6.618 -8.891 6.935 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.018 -6.878 7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.070 -7.348 10.032 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.533 -5.781 9.460 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.789 -5.588 9.160 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.305 -6.138 7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.158 -8.324 7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.202 -8.130 9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.006 -6.396 9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.983 -6.654 7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.727 -7.931 8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.577 -8.973 8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.599 -8.723 9.715 1.00 0.00 H new ATOM 525 N GLU A 32 -3.600 -7.622 7.820 1.00 0.00 N ATOM 526 CA GLU A 32 -2.248 -7.802 8.250 1.00 0.00 C ATOM 527 C GLU A 32 -1.426 -6.642 7.802 1.00 0.00 C ATOM 528 O GLU A 32 -1.824 -5.860 6.941 1.00 0.00 O ATOM 529 CB GLU A 32 -1.739 -9.116 7.634 1.00 0.00 C ATOM 530 CG GLU A 32 -1.891 -9.238 6.117 1.00 0.00 C ATOM 531 CD GLU A 32 -3.078 -10.096 5.706 1.00 0.00 C ATOM 532 OE1 GLU A 32 -4.254 -9.696 5.914 1.00 0.00 O ATOM 533 OE2 GLU A 32 -2.823 -11.179 5.113 1.00 0.00 O ATOM 0 H GLU A 32 -3.744 -7.745 6.818 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.180 -7.856 9.337 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.685 -9.230 7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.270 -9.945 8.102 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.003 -8.243 5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.979 -9.665 5.699 1.00 0.00 H new ATOM 540 N ASP A 33 -0.272 -6.431 8.461 1.00 0.00 N ATOM 541 CA ASP A 33 0.570 -5.290 8.273 1.00 0.00 C ATOM 542 C ASP A 33 1.510 -5.453 7.128 1.00 0.00 C ATOM 543 O ASP A 33 2.578 -6.053 7.244 1.00 0.00 O ATOM 544 CB ASP A 33 1.313 -4.978 9.583 1.00 0.00 C ATOM 545 CG ASP A 33 2.113 -6.157 10.122 1.00 0.00 C ATOM 546 OD1 ASP A 33 1.498 -7.223 10.391 1.00 0.00 O ATOM 547 OD2 ASP A 33 3.342 -6.017 10.358 1.00 0.00 O ATOM 0 H ASP A 33 0.090 -7.085 9.155 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.063 -4.441 8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.986 -4.137 9.418 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.590 -4.665 10.336 1.00 0.00 H new ATOM 552 N VAL A 34 1.105 -4.938 5.953 1.00 0.00 N ATOM 553 CA VAL A 34 1.886 -5.071 4.763 1.00 0.00 C ATOM 554 C VAL A 34 2.435 -3.732 4.411 1.00 0.00 C ATOM 555 O VAL A 34 1.695 -2.818 4.048 1.00 0.00 O ATOM 556 CB VAL A 34 1.091 -5.682 3.648 1.00 0.00 C ATOM 557 CG1 VAL A 34 2.006 -6.024 2.460 1.00 0.00 C ATOM 558 CG2 VAL A 34 0.353 -6.948 4.118 1.00 0.00 C ATOM 0 H VAL A 34 0.231 -4.427 5.827 1.00 0.00 H new ATOM 0 HA VAL A 34 2.716 -5.756 4.936 1.00 0.00 H new ATOM 0 HB VAL A 34 0.349 -4.949 3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.413 -6.467 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.485 -5.115 2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.769 -6.733 2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.214 -7.368 3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.078 -7.682 4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.328 -6.692 4.930 1.00 0.00 H new ATOM 568 N PHE A 35 3.758 -3.528 4.540 1.00 0.00 N ATOM 569 CA PHE A 35 4.367 -2.237 4.463 1.00 0.00 C ATOM 570 C PHE A 35 4.672 -1.804 3.070 1.00 0.00 C ATOM 571 O PHE A 35 5.136 -2.579 2.235 1.00 0.00 O ATOM 572 CB PHE A 35 5.634 -2.212 5.335 1.00 0.00 C ATOM 573 CG PHE A 35 5.337 -1.912 6.764 1.00 0.00 C ATOM 574 CD1 PHE A 35 4.875 -2.898 7.603 1.00 0.00 C ATOM 575 CD2 PHE A 35 5.532 -0.642 7.253 1.00 0.00 C ATOM 576 CE1 PHE A 35 4.619 -2.617 8.925 1.00 0.00 C ATOM 577 CE2 PHE A 35 5.268 -0.374 8.576 1.00 0.00 C ATOM 578 CZ PHE A 35 4.796 -1.348 9.424 1.00 0.00 C ATOM 0 H PHE A 35 4.424 -4.284 4.703 1.00 0.00 H new ATOM 0 HA PHE A 35 3.641 -1.518 4.842 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.137 -3.176 5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.324 -1.464 4.946 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.713 -3.896 7.223 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.891 0.141 6.602 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.274 -3.404 9.580 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.435 0.623 8.957 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.570 -1.122 10.456 1.00 0.00 H new ATOM 588 N VAL A 36 4.611 -0.479 2.845 1.00 0.00 N ATOM 589 CA VAL A 36 4.690 0.141 1.559 1.00 0.00 C ATOM 590 C VAL A 36 5.580 1.332 1.645 1.00 0.00 C ATOM 591 O VAL A 36 5.498 2.120 2.588 1.00 0.00 O ATOM 592 CB VAL A 36 3.337 0.623 1.125 1.00 0.00 C ATOM 593 CG1 VAL A 36 3.374 1.416 -0.192 1.00 0.00 C ATOM 594 CG2 VAL A 36 2.349 -0.542 0.945 1.00 0.00 C ATOM 0 H VAL A 36 4.501 0.196 3.602 1.00 0.00 H new ATOM 0 HA VAL A 36 5.073 -0.591 0.848 1.00 0.00 H new ATOM 0 HB VAL A 36 3.005 1.283 1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.365 1.737 -0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.013 2.291 -0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.770 0.783 -0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.381 -0.153 0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.728 -1.227 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.237 -1.073 1.890 1.00 0.00 H new ATOM 604 N HIS A 37 6.511 1.490 0.689 1.00 0.00 N ATOM 605 CA HIS A 37 7.348 2.641 0.533 1.00 0.00 C ATOM 606 C HIS A 37 7.045 3.355 -0.740 1.00 0.00 C ATOM 607 O HIS A 37 6.386 2.804 -1.620 1.00 0.00 O ATOM 608 CB HIS A 37 8.846 2.307 0.630 1.00 0.00 C ATOM 609 CG HIS A 37 9.313 1.188 -0.252 1.00 0.00 C ATOM 610 ND1 HIS A 37 10.280 1.312 -1.230 1.00 0.00 N ATOM 611 CD2 HIS A 37 8.985 -0.132 -0.231 1.00 0.00 C ATOM 612 CE1 HIS A 37 10.482 0.072 -1.750 1.00 0.00 C ATOM 613 NE2 HIS A 37 9.715 -0.833 -1.170 1.00 0.00 N ATOM 0 H HIS A 37 6.691 0.775 -0.016 1.00 0.00 H new ATOM 0 HA HIS A 37 7.120 3.304 1.367 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.417 3.203 0.386 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.078 2.053 1.664 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.253 -0.572 0.430 1.00 0.00 H new ATOM 0 HE1 HIS A 37 11.184 -0.146 -2.541 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.671 -1.832 -1.372 1.00 0.00 H new ATOM 621 N GLN A 38 7.512 4.605 -0.908 1.00 0.00 N ATOM 622 CA GLN A 38 7.114 5.477 -1.970 1.00 0.00 C ATOM 623 C GLN A 38 7.468 5.008 -3.340 1.00 0.00 C ATOM 624 O GLN A 38 6.715 5.156 -4.301 1.00 0.00 O ATOM 625 CB GLN A 38 7.693 6.885 -1.749 1.00 0.00 C ATOM 626 CG GLN A 38 7.238 7.521 -0.433 1.00 0.00 C ATOM 627 CD GLN A 38 7.779 8.926 -0.209 1.00 0.00 C ATOM 628 OE1 GLN A 38 7.029 9.858 0.075 1.00 0.00 O ATOM 629 NE2 GLN A 38 9.130 9.077 -0.263 1.00 0.00 N ATOM 0 H GLN A 38 8.195 5.026 -0.278 1.00 0.00 H new ATOM 0 HA GLN A 38 6.025 5.488 -1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.782 6.830 -1.762 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.396 7.528 -2.578 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.149 7.554 -0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.552 6.885 0.395 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.723 8.282 -0.502 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.550 9.985 -0.064 1.00 0.00 H new ATOM 638 N THR A 39 8.641 4.367 -3.476 1.00 0.00 N ATOM 639 CA THR A 39 9.138 3.818 -4.700 1.00 0.00 C ATOM 640 C THR A 39 8.438 2.557 -5.074 1.00 0.00 C ATOM 641 O THR A 39 8.419 2.177 -6.243 1.00 0.00 O ATOM 642 CB THR A 39 10.617 3.577 -4.621 1.00 0.00 C ATOM 643 OG1 THR A 39 11.238 4.784 -4.203 1.00 0.00 O ATOM 644 CG2 THR A 39 11.238 3.241 -5.988 1.00 0.00 C ATOM 0 H THR A 39 9.277 4.224 -2.691 1.00 0.00 H new ATOM 0 HA THR A 39 8.939 4.555 -5.478 1.00 0.00 H new ATOM 0 HB THR A 39 10.770 2.741 -3.938 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.207 4.650 -4.143 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.309 3.077 -5.871 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.774 2.339 -6.387 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.071 4.069 -6.677 1.00 0.00 H new ATOM 652 N ALA A 40 7.770 1.858 -4.139 1.00 0.00 N ATOM 653 CA ALA A 40 6.958 0.720 -4.441 1.00 0.00 C ATOM 654 C ALA A 40 5.664 1.088 -5.083 1.00 0.00 C ATOM 655 O ALA A 40 5.072 0.324 -5.844 1.00 0.00 O ATOM 656 CB ALA A 40 6.673 -0.091 -3.165 1.00 0.00 C ATOM 0 H ALA A 40 7.795 2.090 -3.146 1.00 0.00 H new ATOM 0 HA ALA A 40 7.524 0.119 -5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.054 -0.953 -3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.614 -0.432 -2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.149 0.537 -2.444 1.00 0.00 H new ATOM 662 N ILE A 41 5.184 2.313 -4.803 1.00 0.00 N ATOM 663 CA ILE A 41 4.068 2.938 -5.442 1.00 0.00 C ATOM 664 C ILE A 41 4.472 3.433 -6.788 1.00 0.00 C ATOM 665 O ILE A 41 5.323 4.308 -6.935 1.00 0.00 O ATOM 666 CB ILE A 41 3.505 4.045 -4.601 1.00 0.00 C ATOM 667 CG1 ILE A 41 3.159 3.561 -3.183 1.00 0.00 C ATOM 668 CG2 ILE A 41 2.256 4.624 -5.288 1.00 0.00 C ATOM 669 CD1 ILE A 41 2.806 4.701 -2.228 1.00 0.00 C ATOM 0 H ILE A 41 5.603 2.904 -4.084 1.00 0.00 H new ATOM 0 HA ILE A 41 3.277 2.198 -5.564 1.00 0.00 H new ATOM 0 HB ILE A 41 4.264 4.821 -4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.320 2.868 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.005 3.006 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.845 5.429 -4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.528 5.014 -6.269 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.508 3.840 -5.405 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.572 4.293 -1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.653 5.382 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.941 5.242 -2.611 1.00 0.00 H new ATOM 681 N LYS A 42 3.890 2.853 -7.853 1.00 0.00 N ATOM 682 CA LYS A 42 4.182 3.180 -9.215 1.00 0.00 C ATOM 683 C LYS A 42 3.030 3.921 -9.803 1.00 0.00 C ATOM 684 O LYS A 42 1.873 3.537 -9.645 1.00 0.00 O ATOM 685 CB LYS A 42 4.505 1.930 -10.050 1.00 0.00 C ATOM 686 CG LYS A 42 5.736 1.168 -9.555 1.00 0.00 C ATOM 687 CD LYS A 42 5.971 -0.131 -10.330 1.00 0.00 C ATOM 688 CE LYS A 42 7.255 -0.849 -9.909 1.00 0.00 C ATOM 689 NZ LYS A 42 7.380 -2.161 -10.581 1.00 0.00 N ATOM 0 H LYS A 42 3.184 2.123 -7.761 1.00 0.00 H new ATOM 0 HA LYS A 42 5.071 3.811 -9.232 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.644 1.262 -10.037 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.663 2.226 -11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.615 1.806 -9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.616 0.939 -8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.122 -0.797 -10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.017 0.091 -11.396 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.118 -0.229 -10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.258 -0.989 -8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.370 -2.478 -10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.775 -2.857 -10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.083 -2.072 -11.574 1.00 0.00 H new ATOM 703 N LYS A 43 3.295 5.042 -10.499 1.00 0.00 N ATOM 704 CA LYS A 43 2.264 5.845 -11.079 1.00 0.00 C ATOM 705 C LYS A 43 1.885 5.332 -12.425 1.00 0.00 C ATOM 706 O LYS A 43 2.446 5.735 -13.444 1.00 0.00 O ATOM 707 CB LYS A 43 2.669 7.325 -11.195 1.00 0.00 C ATOM 708 CG LYS A 43 2.891 8.019 -9.849 1.00 0.00 C ATOM 709 CD LYS A 43 3.077 9.527 -10.024 1.00 0.00 C ATOM 710 CE LYS A 43 3.560 10.277 -8.780 1.00 0.00 C ATOM 711 NZ LYS A 43 2.584 10.173 -7.673 1.00 0.00 N ATOM 0 H LYS A 43 4.238 5.395 -10.661 1.00 0.00 H new ATOM 0 HA LYS A 43 1.408 5.780 -10.407 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.584 7.395 -11.783 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.895 7.861 -11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.040 7.829 -9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.769 7.597 -9.360 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.791 9.697 -10.830 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.128 9.959 -10.342 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.520 9.872 -8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.722 11.326 -9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.941 10.692 -6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.675 10.581 -7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.448 9.173 -7.423 1.00 0.00 H new ATOM 725 N ASN A 44 0.897 4.421 -12.494 1.00 0.00 N ATOM 726 CA ASN A 44 0.396 3.879 -13.718 1.00 0.00 C ATOM 727 C ASN A 44 -0.693 4.762 -14.225 1.00 0.00 C ATOM 728 O ASN A 44 -0.573 5.365 -15.291 1.00 0.00 O ATOM 729 CB ASN A 44 -0.078 2.435 -13.487 1.00 0.00 C ATOM 730 CG ASN A 44 -0.345 1.715 -14.802 1.00 0.00 C ATOM 731 OD1 ASN A 44 0.023 2.161 -15.887 1.00 0.00 O ATOM 732 ND2 ASN A 44 -1.038 0.549 -14.708 1.00 0.00 N ATOM 0 H ASN A 44 0.431 4.049 -11.667 1.00 0.00 H new ATOM 0 HA ASN A 44 1.179 3.842 -14.476 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.677 1.890 -12.920 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.986 2.442 -12.884 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.265 0.021 -15.551 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.331 0.202 -13.795 1.00 0.00 H new ATOM 739 N ASN A 45 -1.772 4.916 -13.437 1.00 0.00 N ATOM 740 CA ASN A 45 -2.928 5.684 -13.782 1.00 0.00 C ATOM 741 C ASN A 45 -3.169 6.821 -12.851 1.00 0.00 C ATOM 742 O ASN A 45 -4.159 6.764 -12.125 1.00 0.00 O ATOM 743 CB ASN A 45 -4.180 4.790 -13.800 1.00 0.00 C ATOM 744 CG ASN A 45 -4.013 3.626 -14.766 1.00 0.00 C ATOM 745 OD1 ASN A 45 -3.590 3.777 -15.911 1.00 0.00 O ATOM 746 ND2 ASN A 45 -4.406 2.409 -14.303 1.00 0.00 N ATOM 0 H ASN A 45 -1.841 4.484 -12.515 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.734 6.095 -14.773 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.372 4.409 -12.797 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.049 5.382 -14.087 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.354 1.591 -14.910 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.753 2.314 -13.348 1.00 0.00 H new ATOM 753 N PRO A 46 -2.399 7.867 -12.769 1.00 0.00 N ATOM 754 CA PRO A 46 -2.617 8.923 -11.824 1.00 0.00 C ATOM 755 C PRO A 46 -3.752 9.818 -12.187 1.00 0.00 C ATOM 756 O PRO A 46 -3.612 10.658 -13.074 1.00 0.00 O ATOM 757 CB PRO A 46 -1.291 9.680 -11.796 1.00 0.00 C ATOM 758 CG PRO A 46 -0.693 9.484 -13.198 1.00 0.00 C ATOM 759 CD PRO A 46 -1.200 8.080 -13.566 1.00 0.00 C ATOM 0 HA PRO A 46 -2.902 8.527 -10.849 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.444 10.737 -11.576 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.628 9.287 -11.025 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.042 10.241 -13.900 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.396 9.536 -13.188 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.422 8.012 -14.631 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.447 7.323 -13.348 1.00 0.00 H new ATOM 767 N ARG A 47 -4.915 9.698 -11.523 1.00 0.00 N ATOM 768 CA ARG A 47 -6.057 10.507 -11.815 1.00 0.00 C ATOM 769 C ARG A 47 -6.330 11.527 -10.762 1.00 0.00 C ATOM 770 O ARG A 47 -5.981 11.380 -9.592 1.00 0.00 O ATOM 771 CB ARG A 47 -7.308 9.639 -12.036 1.00 0.00 C ATOM 772 CG ARG A 47 -7.222 8.712 -13.251 1.00 0.00 C ATOM 773 CD ARG A 47 -6.996 9.410 -14.594 1.00 0.00 C ATOM 774 NE ARG A 47 -8.155 10.316 -14.836 1.00 0.00 N ATOM 775 CZ ARG A 47 -9.201 10.058 -15.675 1.00 0.00 C ATOM 776 NH1 ARG A 47 -9.274 8.952 -16.471 1.00 0.00 N ATOM 777 NH2 ARG A 47 -10.240 10.941 -15.752 1.00 0.00 N ATOM 0 H ARG A 47 -5.065 9.027 -10.770 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.820 11.042 -12.735 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.480 9.036 -11.144 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.173 10.292 -12.151 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.411 8.002 -13.089 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.144 8.134 -13.312 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.065 9.976 -14.578 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.910 8.677 -15.396 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.168 11.203 -14.333 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.521 8.264 -16.459 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.082 8.813 -17.078 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.232 11.788 -15.184 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.024 10.753 -16.377 1.00 0.00 H new ATOM 791 N LYS A 48 -6.986 12.629 -11.168 1.00 0.00 N ATOM 792 CA LYS A 48 -7.359 13.719 -10.322 1.00 0.00 C ATOM 793 C LYS A 48 -8.737 13.533 -9.784 1.00 0.00 C ATOM 794 O LYS A 48 -8.923 12.880 -8.758 1.00 0.00 O ATOM 795 CB LYS A 48 -7.239 15.031 -11.114 1.00 0.00 C ATOM 796 CG LYS A 48 -5.845 15.318 -11.677 1.00 0.00 C ATOM 797 CD LYS A 48 -5.800 16.672 -12.386 1.00 0.00 C ATOM 798 CE LYS A 48 -4.424 17.079 -12.918 1.00 0.00 C ATOM 799 NZ LYS A 48 -3.996 16.258 -14.073 1.00 0.00 N ATOM 0 H LYS A 48 -7.271 12.766 -12.138 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.687 13.758 -9.465 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.950 15.007 -11.939 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.531 15.858 -10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.114 15.304 -10.869 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.563 14.530 -12.375 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.503 16.653 -13.218 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.147 17.439 -11.694 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.448 18.128 -13.212 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.688 16.988 -12.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.059 16.574 -14.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.946 15.259 -13.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.682 16.364 -14.847 1.00 0.00 H new ATOM 813 N TYR A 49 -9.763 14.088 -10.454 1.00 0.00 N ATOM 814 CA TYR A 49 -11.154 14.030 -10.126 1.00 0.00 C ATOM 815 C TYR A 49 -11.522 14.604 -8.801 1.00 0.00 C ATOM 816 O TYR A 49 -12.209 13.992 -7.984 1.00 0.00 O ATOM 817 CB TYR A 49 -11.749 12.634 -10.374 1.00 0.00 C ATOM 818 CG TYR A 49 -13.228 12.645 -10.556 1.00 0.00 C ATOM 819 CD1 TYR A 49 -13.773 13.339 -11.610 1.00 0.00 C ATOM 820 CD2 TYR A 49 -14.068 11.978 -9.696 1.00 0.00 C ATOM 821 CE1 TYR A 49 -15.136 13.366 -11.796 1.00 0.00 C ATOM 822 CE2 TYR A 49 -15.432 12.005 -9.868 1.00 0.00 C ATOM 823 CZ TYR A 49 -15.968 12.703 -10.924 1.00 0.00 C ATOM 824 OH TYR A 49 -17.365 12.778 -11.107 1.00 0.00 O ATOM 0 H TYR A 49 -9.601 14.627 -11.305 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.632 14.711 -10.830 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.285 12.201 -11.260 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.498 11.986 -9.534 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.127 13.866 -12.296 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -13.649 11.423 -8.870 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -15.554 13.910 -12.630 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -16.078 11.482 -9.178 1.00 0.00 H new ATOM 0 HH TYR A 49 -17.815 12.256 -10.410 1.00 0.00 H new ATOM 834 N LEU A 50 -11.092 15.854 -8.559 1.00 0.00 N ATOM 835 CA LEU A 50 -11.351 16.654 -7.403 1.00 0.00 C ATOM 836 C LEU A 50 -10.592 16.246 -6.187 1.00 0.00 C ATOM 837 O LEU A 50 -9.812 17.020 -5.634 1.00 0.00 O ATOM 838 CB LEU A 50 -12.854 16.856 -7.141 1.00 0.00 C ATOM 839 CG LEU A 50 -13.235 17.997 -6.184 1.00 0.00 C ATOM 840 CD1 LEU A 50 -12.825 19.377 -6.728 1.00 0.00 C ATOM 841 CD2 LEU A 50 -14.751 17.967 -5.925 1.00 0.00 C ATOM 0 H LEU A 50 -10.510 16.348 -9.235 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.950 17.637 -7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.346 17.034 -8.097 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.259 15.926 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.691 17.841 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.116 20.150 -6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.745 19.405 -6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.324 19.555 -7.681 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -15.020 18.776 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -15.284 18.092 -6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.025 17.012 -5.477 1.00 0.00 H new ATOM 853 N ARG A 51 -10.800 15.003 -5.720 1.00 0.00 N ATOM 854 CA ARG A 51 -10.105 14.404 -4.623 1.00 0.00 C ATOM 855 C ARG A 51 -9.708 13.019 -5.001 1.00 0.00 C ATOM 856 O ARG A 51 -10.416 12.305 -5.711 1.00 0.00 O ATOM 857 CB ARG A 51 -10.972 14.285 -3.358 1.00 0.00 C ATOM 858 CG ARG A 51 -11.414 15.639 -2.802 1.00 0.00 C ATOM 859 CD ARG A 51 -12.252 15.503 -1.528 1.00 0.00 C ATOM 860 NE ARG A 51 -12.630 16.884 -1.114 1.00 0.00 N ATOM 861 CZ ARG A 51 -13.707 17.559 -1.610 1.00 0.00 C ATOM 862 NH1 ARG A 51 -14.587 16.985 -2.482 1.00 0.00 N ATOM 863 NH2 ARG A 51 -13.914 18.856 -1.237 1.00 0.00 N ATOM 0 H ARG A 51 -11.494 14.380 -6.132 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.251 15.046 -4.407 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.855 13.687 -3.585 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.413 13.749 -2.591 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.534 16.247 -2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.993 16.168 -3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.140 14.898 -1.712 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.684 15.005 -0.742 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.049 17.352 -0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.450 16.020 -2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.381 17.521 -2.832 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.267 19.311 -0.593 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.716 19.370 -1.602 1.00 0.00 H new ATOM 877 N SER A 52 -8.552 12.567 -4.481 1.00 0.00 N ATOM 878 CA SER A 52 -7.963 11.287 -4.724 1.00 0.00 C ATOM 879 C SER A 52 -8.511 10.342 -3.709 1.00 0.00 C ATOM 880 O SER A 52 -9.105 9.313 -4.026 1.00 0.00 O ATOM 881 CB SER A 52 -6.432 11.325 -4.588 1.00 0.00 C ATOM 882 OG SER A 52 -5.856 12.220 -5.527 1.00 0.00 O ATOM 0 H SER A 52 -7.991 13.137 -3.847 1.00 0.00 H new ATOM 0 HA SER A 52 -8.198 10.977 -5.742 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.161 11.630 -3.577 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.026 10.325 -4.738 1.00 0.00 H new ATOM 0 HG SER A 52 -4.882 12.226 -5.418 1.00 0.00 H new ATOM 888 N VAL A 53 -8.220 10.597 -2.421 1.00 0.00 N ATOM 889 CA VAL A 53 -8.493 9.714 -1.331 1.00 0.00 C ATOM 890 C VAL A 53 -9.644 10.190 -0.513 1.00 0.00 C ATOM 891 O VAL A 53 -10.263 11.210 -0.809 1.00 0.00 O ATOM 892 CB VAL A 53 -7.252 9.509 -0.513 1.00 0.00 C ATOM 893 CG1 VAL A 53 -6.215 8.762 -1.367 1.00 0.00 C ATOM 894 CG2 VAL A 53 -6.684 10.838 0.012 1.00 0.00 C ATOM 0 H VAL A 53 -7.771 11.464 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.790 8.745 -1.732 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.503 8.914 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.307 8.606 -0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.621 7.797 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.980 9.352 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.786 10.643 0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.435 11.485 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.428 11.329 0.639 1.00 0.00 H new ATOM 904 N GLY A 54 -9.981 9.475 0.576 1.00 0.00 N ATOM 905 CA GLY A 54 -11.083 9.806 1.427 1.00 0.00 C ATOM 906 C GLY A 54 -11.665 8.566 2.010 1.00 0.00 C ATOM 907 O GLY A 54 -12.011 7.649 1.267 1.00 0.00 O ATOM 0 H GLY A 54 -9.472 8.642 0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.751 10.471 2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.843 10.343 0.860 1.00 0.00 H new ATOM 911 N ASP A 55 -11.754 8.494 3.351 1.00 0.00 N ATOM 912 CA ASP A 55 -12.087 7.313 4.085 1.00 0.00 C ATOM 913 C ASP A 55 -11.003 6.301 3.937 1.00 0.00 C ATOM 914 O ASP A 55 -9.818 6.626 3.987 1.00 0.00 O ATOM 915 CB ASP A 55 -13.526 6.853 3.793 1.00 0.00 C ATOM 916 CG ASP A 55 -14.066 5.870 4.822 1.00 0.00 C ATOM 917 OD1 ASP A 55 -14.356 6.292 5.973 1.00 0.00 O ATOM 918 OD2 ASP A 55 -14.157 4.655 4.502 1.00 0.00 O ATOM 0 H ASP A 55 -11.585 9.300 3.952 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.120 7.516 5.155 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -14.178 7.725 3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.559 6.390 2.807 1.00 0.00 H new ATOM 923 N GLY A 56 -11.358 5.018 3.746 1.00 0.00 N ATOM 924 CA GLY A 56 -10.450 3.966 3.410 1.00 0.00 C ATOM 925 C GLY A 56 -10.615 3.500 2.005 1.00 0.00 C ATOM 926 O GLY A 56 -11.321 2.531 1.725 1.00 0.00 O ATOM 0 H GLY A 56 -12.323 4.700 3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.427 4.312 3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.603 3.127 4.089 1.00 0.00 H new ATOM 930 N GLU A 57 -9.934 4.140 1.038 1.00 0.00 N ATOM 931 CA GLU A 57 -9.870 3.676 -0.313 1.00 0.00 C ATOM 932 C GLU A 57 -9.186 2.362 -0.485 1.00 0.00 C ATOM 933 O GLU A 57 -8.570 1.815 0.428 1.00 0.00 O ATOM 934 CB GLU A 57 -9.193 4.719 -1.218 1.00 0.00 C ATOM 935 CG GLU A 57 -10.197 5.675 -1.866 1.00 0.00 C ATOM 936 CD GLU A 57 -11.077 5.032 -2.929 1.00 0.00 C ATOM 937 OE1 GLU A 57 -10.969 3.803 -3.184 1.00 0.00 O ATOM 938 OE2 GLU A 57 -11.907 5.769 -3.526 1.00 0.00 O ATOM 0 H GLU A 57 -9.414 5.003 1.200 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.909 3.528 -0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.476 5.294 -0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.629 4.207 -1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.835 6.095 -1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.652 6.506 -2.315 1.00 0.00 H new ATOM 945 N THR A 58 -9.292 1.786 -1.697 1.00 0.00 N ATOM 946 CA THR A 58 -8.563 0.614 -2.067 1.00 0.00 C ATOM 947 C THR A 58 -7.319 0.975 -2.806 1.00 0.00 C ATOM 948 O THR A 58 -7.310 1.817 -3.702 1.00 0.00 O ATOM 949 CB THR A 58 -9.291 -0.413 -2.883 1.00 0.00 C ATOM 950 OG1 THR A 58 -10.332 0.100 -3.703 1.00 0.00 O ATOM 951 CG2 THR A 58 -9.893 -1.475 -1.948 1.00 0.00 C ATOM 0 H THR A 58 -9.898 2.144 -2.435 1.00 0.00 H new ATOM 0 HA THR A 58 -8.364 0.147 -1.102 1.00 0.00 H new ATOM 0 HB THR A 58 -8.542 -0.829 -3.557 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.750 -0.635 -4.199 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.422 -2.222 -2.539 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.095 -1.958 -1.384 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.589 -0.999 -1.257 1.00 0.00 H new ATOM 959 N VAL A 59 -6.219 0.289 -2.450 1.00 0.00 N ATOM 960 CA VAL A 59 -4.993 0.285 -3.187 1.00 0.00 C ATOM 961 C VAL A 59 -4.705 -1.141 -3.507 1.00 0.00 C ATOM 962 O VAL A 59 -5.107 -2.035 -2.765 1.00 0.00 O ATOM 963 CB VAL A 59 -3.861 0.893 -2.414 1.00 0.00 C ATOM 964 CG1 VAL A 59 -4.120 2.393 -2.196 1.00 0.00 C ATOM 965 CG2 VAL A 59 -3.657 0.227 -1.042 1.00 0.00 C ATOM 0 H VAL A 59 -6.182 -0.289 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.094 0.891 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.959 0.736 -3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.293 2.827 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.204 2.892 -3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.047 2.525 -1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.825 0.706 -0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.564 0.334 -0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.437 -0.832 -1.181 1.00 0.00 H new ATOM 975 N GLU A 60 -4.010 -1.423 -4.624 1.00 0.00 N ATOM 976 CA GLU A 60 -3.533 -2.731 -4.946 1.00 0.00 C ATOM 977 C GLU A 60 -2.087 -2.851 -4.606 1.00 0.00 C ATOM 978 O GLU A 60 -1.335 -1.877 -4.614 1.00 0.00 O ATOM 979 CB GLU A 60 -3.618 -3.066 -6.445 1.00 0.00 C ATOM 980 CG GLU A 60 -4.999 -2.878 -7.076 1.00 0.00 C ATOM 981 CD GLU A 60 -4.899 -2.465 -8.538 1.00 0.00 C ATOM 982 OE1 GLU A 60 -4.666 -3.354 -9.399 1.00 0.00 O ATOM 983 OE2 GLU A 60 -5.012 -1.247 -8.841 1.00 0.00 O ATOM 0 H GLU A 60 -3.773 -0.719 -5.324 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.170 -3.407 -4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.903 -2.443 -6.982 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.309 -4.101 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.564 -3.807 -6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.553 -2.121 -6.521 1.00 0.00 H new ATOM 990 N PHE A 61 -1.658 -4.091 -4.310 1.00 0.00 N ATOM 991 CA PHE A 61 -0.297 -4.376 -3.979 1.00 0.00 C ATOM 992 C PHE A 61 -0.017 -5.830 -4.144 1.00 0.00 C ATOM 993 O PHE A 61 -0.881 -6.618 -4.524 1.00 0.00 O ATOM 994 CB PHE A 61 0.065 -3.908 -2.559 1.00 0.00 C ATOM 995 CG PHE A 61 -0.990 -4.241 -1.561 1.00 0.00 C ATOM 996 CD1 PHE A 61 -1.052 -5.487 -0.983 1.00 0.00 C ATOM 997 CD2 PHE A 61 -1.939 -3.294 -1.256 1.00 0.00 C ATOM 998 CE1 PHE A 61 -2.066 -5.794 -0.106 1.00 0.00 C ATOM 999 CE2 PHE A 61 -2.966 -3.587 -0.390 1.00 0.00 C ATOM 1000 CZ PHE A 61 -3.014 -4.840 0.177 1.00 0.00 C ATOM 0 H PHE A 61 -2.267 -4.909 -4.300 1.00 0.00 H new ATOM 0 HA PHE A 61 0.332 -3.814 -4.670 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.005 -4.370 -2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.227 -2.830 -2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.302 -6.227 -1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.877 -2.312 -1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.117 -6.770 0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.720 -2.849 -0.159 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.815 -5.079 0.860 1.00 0.00 H new ATOM 1010 N ASP A 62 1.231 -6.240 -3.850 1.00 0.00 N ATOM 1011 CA ASP A 62 1.600 -7.603 -3.634 1.00 0.00 C ATOM 1012 C ASP A 62 1.794 -7.782 -2.168 1.00 0.00 C ATOM 1013 O ASP A 62 2.058 -6.803 -1.470 1.00 0.00 O ATOM 1014 CB ASP A 62 2.863 -7.897 -4.460 1.00 0.00 C ATOM 1015 CG ASP A 62 2.651 -7.697 -5.954 1.00 0.00 C ATOM 1016 OD1 ASP A 62 1.499 -7.711 -6.465 1.00 0.00 O ATOM 1017 OD2 ASP A 62 3.682 -7.579 -6.669 1.00 0.00 O ATOM 0 H ASP A 62 2.015 -5.593 -3.759 1.00 0.00 H new ATOM 0 HA ASP A 62 0.837 -8.310 -3.959 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.671 -7.248 -4.122 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.180 -8.924 -4.277 1.00 0.00 H new ATOM 1022 N VAL A 63 1.644 -8.989 -1.593 1.00 0.00 N ATOM 1023 CA VAL A 63 1.908 -9.294 -0.221 1.00 0.00 C ATOM 1024 C VAL A 63 3.086 -10.208 -0.206 1.00 0.00 C ATOM 1025 O VAL A 63 2.961 -11.430 -0.268 1.00 0.00 O ATOM 1026 CB VAL A 63 0.774 -9.988 0.471 1.00 0.00 C ATOM 1027 CG1 VAL A 63 1.113 -10.294 1.940 1.00 0.00 C ATOM 1028 CG2 VAL A 63 -0.471 -9.085 0.472 1.00 0.00 C ATOM 0 H VAL A 63 1.319 -9.800 -2.119 1.00 0.00 H new ATOM 0 HA VAL A 63 2.072 -8.356 0.309 1.00 0.00 H new ATOM 0 HB VAL A 63 0.591 -10.917 -0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.269 -10.797 2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.990 -10.939 1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.320 -9.363 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.291 -9.596 0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.246 -8.156 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.760 -8.862 -0.555 1.00 0.00 H new ATOM 1038 N VAL A 64 4.313 -9.662 -0.125 1.00 0.00 N ATOM 1039 CA VAL A 64 5.473 -10.442 -0.423 1.00 0.00 C ATOM 1040 C VAL A 64 6.267 -10.547 0.833 1.00 0.00 C ATOM 1041 O VAL A 64 7.128 -9.738 1.177 1.00 0.00 O ATOM 1042 CB VAL A 64 6.180 -9.938 -1.646 1.00 0.00 C ATOM 1043 CG1 VAL A 64 5.648 -10.693 -2.876 1.00 0.00 C ATOM 1044 CG2 VAL A 64 5.944 -8.434 -1.872 1.00 0.00 C ATOM 0 H VAL A 64 4.500 -8.696 0.143 1.00 0.00 H new ATOM 0 HA VAL A 64 5.231 -11.462 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 64 7.248 -10.103 -1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.156 -10.334 -3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.834 -11.760 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.576 -10.521 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.475 -8.113 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.877 -8.248 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.313 -7.875 -1.012 1.00 0.00 H new ATOM 1054 N GLU A 65 5.933 -11.573 1.635 1.00 0.00 N ATOM 1055 CA GLU A 65 6.442 -11.772 2.957 1.00 0.00 C ATOM 1056 C GLU A 65 7.742 -12.498 2.996 1.00 0.00 C ATOM 1057 O GLU A 65 7.887 -13.594 2.455 1.00 0.00 O ATOM 1058 CB GLU A 65 5.431 -12.518 3.844 1.00 0.00 C ATOM 1059 CG GLU A 65 5.799 -12.523 5.329 1.00 0.00 C ATOM 1060 CD GLU A 65 4.684 -13.047 6.221 1.00 0.00 C ATOM 1061 OE1 GLU A 65 3.531 -12.542 6.173 1.00 0.00 O ATOM 1062 OE2 GLU A 65 4.969 -13.950 7.053 1.00 0.00 O ATOM 0 H GLU A 65 5.276 -12.299 1.348 1.00 0.00 H new ATOM 0 HA GLU A 65 6.611 -10.767 3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.449 -12.060 3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.347 -13.548 3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.689 -13.135 5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.055 -11.509 5.637 1.00 0.00 H new ATOM 1069 N GLY A 66 8.747 -11.878 3.639 1.00 0.00 N ATOM 1070 CA GLY A 66 10.030 -12.448 3.908 1.00 0.00 C ATOM 1071 C GLY A 66 10.379 -12.427 5.357 1.00 0.00 C ATOM 1072 O GLY A 66 10.937 -13.389 5.884 1.00 0.00 O ATOM 0 H GLY A 66 8.658 -10.925 3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.048 -13.477 3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.790 -11.902 3.348 1.00 0.00 H new ATOM 1076 N GLU A 67 10.082 -11.309 6.043 1.00 0.00 N ATOM 1077 CA GLU A 67 10.477 -11.036 7.390 1.00 0.00 C ATOM 1078 C GLU A 67 9.473 -11.534 8.374 1.00 0.00 C ATOM 1079 O GLU A 67 8.968 -12.650 8.268 1.00 0.00 O ATOM 1080 CB GLU A 67 10.683 -9.518 7.522 1.00 0.00 C ATOM 1081 CG GLU A 67 11.692 -8.922 6.539 1.00 0.00 C ATOM 1082 CD GLU A 67 13.145 -9.221 6.880 1.00 0.00 C ATOM 1083 OE1 GLU A 67 13.604 -8.752 7.956 1.00 0.00 O ATOM 1084 OE2 GLU A 67 13.860 -9.889 6.086 1.00 0.00 O ATOM 0 H GLU A 67 9.534 -10.552 5.633 1.00 0.00 H new ATOM 0 HA GLU A 67 11.405 -11.562 7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.723 -9.021 7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.011 -9.297 8.538 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.479 -9.304 5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.554 -7.841 6.504 1.00 0.00 H new ATOM 1091 N LYS A 68 9.135 -10.742 9.407 1.00 0.00 N ATOM 1092 CA LYS A 68 8.201 -11.050 10.446 1.00 0.00 C ATOM 1093 C LYS A 68 6.798 -10.732 10.056 1.00 0.00 C ATOM 1094 O LYS A 68 5.831 -11.132 10.704 1.00 0.00 O ATOM 1095 CB LYS A 68 8.552 -10.242 11.707 1.00 0.00 C ATOM 1096 CG LYS A 68 9.949 -10.517 12.266 1.00 0.00 C ATOM 1097 CD LYS A 68 10.243 -9.742 13.552 1.00 0.00 C ATOM 1098 CE LYS A 68 10.210 -8.224 13.372 1.00 0.00 C ATOM 1099 NZ LYS A 68 10.453 -7.526 14.655 1.00 0.00 N ATOM 0 H LYS A 68 9.547 -9.816 9.524 1.00 0.00 H new ATOM 0 HA LYS A 68 8.269 -12.121 10.635 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.468 -9.180 11.478 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.815 -10.460 12.480 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.053 -11.585 12.460 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.693 -10.256 11.513 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.515 -10.025 14.312 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.224 -10.034 13.926 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.964 -7.925 12.644 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.242 -7.924 12.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.425 -6.498 14.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.718 -7.794 15.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.387 -7.795 15.025 1.00 0.00 H new ATOM 1113 N GLY A 69 6.658 -9.964 8.961 1.00 0.00 N ATOM 1114 CA GLY A 69 5.424 -9.532 8.380 1.00 0.00 C ATOM 1115 C GLY A 69 5.779 -9.007 7.031 1.00 0.00 C ATOM 1116 O GLY A 69 6.958 -8.842 6.720 1.00 0.00 O ATOM 0 H GLY A 69 7.467 -9.620 8.444 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.716 -10.357 8.306 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.952 -8.761 8.989 1.00 0.00 H new ATOM 1120 N ALA A 70 4.797 -8.759 6.146 1.00 0.00 N ATOM 1121 CA ALA A 70 5.052 -8.603 4.747 1.00 0.00 C ATOM 1122 C ALA A 70 5.393 -7.225 4.296 1.00 0.00 C ATOM 1123 O ALA A 70 5.224 -6.216 4.981 1.00 0.00 O ATOM 1124 CB ALA A 70 3.840 -9.118 3.952 1.00 0.00 C ATOM 0 H ALA A 70 3.815 -8.666 6.404 1.00 0.00 H new ATOM 0 HA ALA A 70 5.950 -9.189 4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.029 -9.002 2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.677 -10.172 4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.954 -8.546 4.228 1.00 0.00 H new ATOM 1130 N GLU A 71 5.923 -7.145 3.063 1.00 0.00 N ATOM 1131 CA GLU A 71 6.030 -5.923 2.328 1.00 0.00 C ATOM 1132 C GLU A 71 5.198 -5.962 1.093 1.00 0.00 C ATOM 1133 O GLU A 71 4.507 -6.946 0.830 1.00 0.00 O ATOM 1134 CB GLU A 71 7.490 -5.618 1.949 1.00 0.00 C ATOM 1135 CG GLU A 71 8.281 -6.658 1.154 1.00 0.00 C ATOM 1136 CD GLU A 71 9.703 -6.172 0.915 1.00 0.00 C ATOM 1137 OE1 GLU A 71 9.921 -5.366 -0.027 1.00 0.00 O ATOM 1138 OE2 GLU A 71 10.629 -6.561 1.677 1.00 0.00 O ATOM 0 H GLU A 71 6.288 -7.955 2.562 1.00 0.00 H new ATOM 0 HA GLU A 71 5.664 -5.130 2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.495 -4.691 1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.036 -5.424 2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.299 -7.603 1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.789 -6.847 0.200 1.00 0.00 H new ATOM 1145 N ALA A 72 5.279 -4.923 0.243 1.00 0.00 N ATOM 1146 CA ALA A 72 4.397 -4.716 -0.863 1.00 0.00 C ATOM 1147 C ALA A 72 5.170 -4.109 -1.983 1.00 0.00 C ATOM 1148 O ALA A 72 6.153 -3.393 -1.797 1.00 0.00 O ATOM 1149 CB ALA A 72 3.265 -3.758 -0.453 1.00 0.00 C ATOM 0 H ALA A 72 5.989 -4.196 0.330 1.00 0.00 H new ATOM 0 HA ALA A 72 3.967 -5.668 -1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.595 -3.603 -1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.707 -4.189 0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.690 -2.802 -0.147 1.00 0.00 H new ATOM 1155 N ALA A 73 4.787 -4.506 -3.210 1.00 0.00 N ATOM 1156 CA ALA A 73 5.441 -4.109 -4.418 1.00 0.00 C ATOM 1157 C ALA A 73 4.331 -3.791 -5.360 1.00 0.00 C ATOM 1158 O ALA A 73 3.202 -4.226 -5.137 1.00 0.00 O ATOM 1159 CB ALA A 73 6.286 -5.282 -4.944 1.00 0.00 C ATOM 0 H ALA A 73 3.993 -5.126 -3.366 1.00 0.00 H new ATOM 0 HA ALA A 73 6.112 -3.260 -4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.787 -4.985 -5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.031 -5.557 -4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.639 -6.136 -5.142 1.00 0.00 H new ATOM 1165 N ASN A 74 4.627 -3.023 -6.424 1.00 0.00 N ATOM 1166 CA ASN A 74 3.742 -2.699 -7.499 1.00 0.00 C ATOM 1167 C ASN A 74 2.464 -2.062 -7.071 1.00 0.00 C ATOM 1168 O ASN A 74 1.372 -2.467 -7.466 1.00 0.00 O ATOM 1169 CB ASN A 74 3.480 -3.927 -8.386 1.00 0.00 C ATOM 1170 CG ASN A 74 4.819 -4.526 -8.789 1.00 0.00 C ATOM 1171 OD1 ASN A 74 5.630 -3.862 -9.434 1.00 0.00 O ATOM 1172 ND2 ASN A 74 5.074 -5.799 -8.383 1.00 0.00 N ATOM 0 H ASN A 74 5.548 -2.600 -6.540 1.00 0.00 H new ATOM 0 HA ASN A 74 4.260 -1.940 -8.085 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.883 -4.663 -7.847 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.911 -3.641 -9.271 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.966 -6.238 -8.612 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.374 -6.314 -7.850 1.00 0.00 H new ATOM 1179 N VAL A 75 2.560 -1.035 -6.209 1.00 0.00 N ATOM 1180 CA VAL A 75 1.462 -0.504 -5.461 1.00 0.00 C ATOM 1181 C VAL A 75 0.751 0.554 -6.233 1.00 0.00 C ATOM 1182 O VAL A 75 1.373 1.352 -6.932 1.00 0.00 O ATOM 1183 CB VAL A 75 1.887 -0.023 -4.106 1.00 0.00 C ATOM 1184 CG1 VAL A 75 0.679 0.337 -3.224 1.00 0.00 C ATOM 1185 CG2 VAL A 75 2.713 -1.114 -3.405 1.00 0.00 C ATOM 0 H VAL A 75 3.440 -0.554 -6.025 1.00 0.00 H new ATOM 0 HA VAL A 75 0.755 -1.316 -5.292 1.00 0.00 H new ATOM 0 HB VAL A 75 2.487 0.876 -4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.029 0.681 -2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.102 1.128 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.049 -0.543 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.020 -0.761 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.108 -2.014 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.597 -1.341 -4.001 1.00 0.00 H new ATOM 1195 N THR A 76 -0.594 0.566 -6.186 1.00 0.00 N ATOM 1196 CA THR A 76 -1.417 1.474 -6.921 1.00 0.00 C ATOM 1197 C THR A 76 -2.078 2.492 -6.056 1.00 0.00 C ATOM 1198 O THR A 76 -1.681 2.810 -4.937 1.00 0.00 O ATOM 1199 CB THR A 76 -2.440 0.795 -7.783 1.00 0.00 C ATOM 1200 OG1 THR A 76 -3.469 0.147 -7.049 1.00 0.00 O ATOM 1201 CG2 THR A 76 -1.777 -0.297 -8.639 1.00 0.00 C ATOM 0 H THR A 76 -1.129 -0.085 -5.611 1.00 0.00 H new ATOM 0 HA THR A 76 -0.719 1.988 -7.582 1.00 0.00 H new ATOM 0 HB THR A 76 -2.875 1.595 -8.382 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.095 -0.280 -7.670 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.531 -0.781 -9.259 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.016 0.153 -9.277 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.313 -1.038 -7.988 1.00 0.00 H new ATOM 1209 N GLY A 77 -3.178 3.078 -6.561 1.00 0.00 N ATOM 1210 CA GLY A 77 -3.983 4.027 -5.858 1.00 0.00 C ATOM 1211 C GLY A 77 -4.943 4.667 -6.801 1.00 0.00 C ATOM 1212 O GLY A 77 -5.024 4.268 -7.961 1.00 0.00 O ATOM 0 H GLY A 77 -3.521 2.881 -7.501 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.525 3.532 -5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.350 4.786 -5.398 1.00 0.00 H new ATOM 1216 N PRO A 78 -5.682 5.647 -6.368 1.00 0.00 N ATOM 1217 CA PRO A 78 -6.460 6.489 -7.229 1.00 0.00 C ATOM 1218 C PRO A 78 -5.609 7.461 -7.971 1.00 0.00 C ATOM 1219 O PRO A 78 -5.935 7.811 -9.103 1.00 0.00 O ATOM 1220 CB PRO A 78 -7.450 7.172 -6.288 1.00 0.00 C ATOM 1221 CG PRO A 78 -6.747 7.208 -4.922 1.00 0.00 C ATOM 1222 CD PRO A 78 -5.920 5.912 -4.957 1.00 0.00 C ATOM 0 HA PRO A 78 -6.969 5.929 -8.014 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.692 8.177 -6.633 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -8.388 6.619 -6.234 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.118 8.091 -4.809 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.459 7.216 -4.096 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -4.982 6.029 -4.415 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.459 5.089 -4.487 1.00 0.00 H new ATOM 1230 N GLY A 79 -4.497 7.918 -7.367 1.00 0.00 N ATOM 1231 CA GLY A 79 -3.580 8.836 -7.969 1.00 0.00 C ATOM 1232 C GLY A 79 -2.659 9.424 -6.910 1.00 0.00 C ATOM 1233 O GLY A 79 -2.223 8.678 -5.993 1.00 0.00 O ATOM 1234 OXT GLY A 79 -2.312 10.632 -7.002 1.00 0.00 O ATOM 0 H GLY A 79 -4.227 7.638 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.991 8.327 -8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.128 9.634 -8.469 1.00 0.00 H new TER 1238 GLY A 79