USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 834 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 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 92 LYS NZ :NH3+ -141:sc= -0.137 (180deg=-0.895!) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -112:sc= -0.0302 (180deg=-4.52!) USER MOD Set 2.2: A 47 TYR OH : rot 151:sc= 0.582 USER MOD Single : A 1 ALA N :NH3+ -118:sc= 0.0854 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.0058 X(o=-0.0058,f=-0.12) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -151:sc= -1.46 (180deg=-2.84!) USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 0.634 (180deg=0.607) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 20 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.1!) USER MOD Single : A 24 MET CE :methyl -167:sc= -4.73! (180deg=-5.21!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0.881 USER MOD Single : A 30 ASN : amide:sc= 0.608 K(o=0.61,f=-0.0081) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= -0.504 (180deg=-0.504) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0392) USER MOD Single : A 59 HIS : no HD1:sc=-0.00279 K(o=-0.0028,f=-1.4) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -110:sc= 1.38 USER MOD Single : A 72 LYS NZ :NH3+ 135:sc= -0.529 (180deg=-3.03!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -177:sc= 0.609 (180deg=0.589) USER MOD Single : A 90 MET CE :methyl -112:sc= -1.72! (180deg=-2.56!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.24) USER MOD Single : A 102 GLN : amide:sc= -0.48 K(o=-0.48,f=-3.8!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.226 -14.224 5.476 1.00 51.32 N ATOM 2 CA ALA A 1 -12.729 -14.181 4.082 1.00 54.11 C ATOM 3 C ALA A 1 -12.700 -12.744 3.535 1.00 5.43 C ATOM 4 O ALA A 1 -12.313 -11.802 4.236 1.00 11.12 O ATOM 5 CB ALA A 1 -14.143 -14.788 4.013 1.00 53.52 C ATOM 0 H1 ALA A 1 -11.373 -14.817 5.519 1.00 51.32 H new ATOM 0 H2 ALA A 1 -11.994 -13.260 5.791 1.00 51.32 H new ATOM 0 H3 ALA A 1 -12.958 -14.625 6.097 1.00 51.32 H new ATOM 0 HA ALA A 1 -12.073 -14.780 3.450 1.00 54.11 H new ATOM 0 HB1 ALA A 1 -14.505 -14.752 2.985 1.00 53.52 H new ATOM 0 HB2 ALA A 1 -14.111 -15.824 4.351 1.00 53.52 H new ATOM 0 HB3 ALA A 1 -14.815 -14.218 4.654 1.00 53.52 H new ATOM 13 N ASP A 2 -13.147 -12.590 2.279 1.00 0.21 N ATOM 14 CA ASP A 2 -13.179 -11.293 1.558 1.00 42.30 C ATOM 15 C ASP A 2 -14.375 -10.393 1.993 1.00 50.43 C ATOM 16 O ASP A 2 -14.660 -9.388 1.332 1.00 63.22 O ATOM 17 CB ASP A 2 -13.248 -11.563 0.028 1.00 5.14 C ATOM 18 CG ASP A 2 -14.515 -12.345 -0.368 1.00 4.51 C ATOM 19 OD1 ASP A 2 -14.545 -13.580 -0.173 1.00 53.34 O ATOM 20 OD2 ASP A 2 -15.498 -11.731 -0.820 1.00 74.11 O ATOM 0 H ASP A 2 -13.502 -13.368 1.723 1.00 0.21 H new ATOM 0 HA ASP A 2 -12.268 -10.751 1.811 1.00 42.30 H new ATOM 0 HB2 ASP A 2 -13.226 -10.614 -0.508 1.00 5.14 H new ATOM 0 HB3 ASP A 2 -12.366 -12.124 -0.281 1.00 5.14 H new ATOM 25 N GLU A 3 -15.047 -10.764 3.104 1.00 52.41 N ATOM 26 CA GLU A 3 -16.180 -10.020 3.697 1.00 62.43 C ATOM 27 C GLU A 3 -15.840 -8.529 3.906 1.00 72.34 C ATOM 28 O GLU A 3 -16.605 -7.638 3.512 1.00 10.22 O ATOM 29 CB GLU A 3 -16.541 -10.684 5.058 1.00 75.41 C ATOM 30 CG GLU A 3 -17.665 -9.988 5.843 1.00 45.22 C ATOM 31 CD GLU A 3 -17.860 -10.571 7.252 1.00 62.43 C ATOM 32 OE1 GLU A 3 -17.120 -10.170 8.179 1.00 35.03 O ATOM 33 OE2 GLU A 3 -18.730 -11.447 7.433 1.00 44.10 O ATOM 0 H GLU A 3 -14.812 -11.608 3.626 1.00 52.41 H new ATOM 0 HA GLU A 3 -17.028 -10.061 3.013 1.00 62.43 H new ATOM 0 HB2 GLU A 3 -16.833 -11.718 4.874 1.00 75.41 H new ATOM 0 HB3 GLU A 3 -15.647 -10.711 5.680 1.00 75.41 H new ATOM 0 HG2 GLU A 3 -17.441 -8.924 5.923 1.00 45.22 H new ATOM 0 HG3 GLU A 3 -18.598 -10.076 5.287 1.00 45.22 H new ATOM 40 N ASN A 4 -14.663 -8.291 4.494 1.00 20.11 N ATOM 41 CA ASN A 4 -14.194 -6.936 4.823 1.00 30.40 C ATOM 42 C ASN A 4 -13.867 -6.155 3.541 1.00 40.14 C ATOM 43 O ASN A 4 -14.191 -4.972 3.437 1.00 11.12 O ATOM 44 CB ASN A 4 -12.964 -7.008 5.753 1.00 72.23 C ATOM 45 CG ASN A 4 -13.217 -7.866 6.997 1.00 54.50 C ATOM 46 OD1 ASN A 4 -13.007 -9.076 6.973 1.00 12.25 O ATOM 47 ND2 ASN A 4 -13.704 -7.263 8.075 1.00 51.24 N ATOM 0 H ASN A 4 -14.008 -9.028 4.756 1.00 20.11 H new ATOM 0 HA ASN A 4 -14.990 -6.407 5.348 1.00 30.40 H new ATOM 0 HB2 ASN A 4 -12.118 -7.416 5.200 1.00 72.23 H new ATOM 0 HB3 ASN A 4 -12.686 -6.000 6.061 1.00 72.23 H new ATOM 0 HD21 ASN A 4 -13.914 -7.806 8.912 1.00 51.24 H new ATOM 0 HD22 ASN A 4 -13.868 -6.256 8.066 1.00 51.24 H new ATOM 54 N ILE A 5 -13.256 -6.865 2.564 1.00 65.23 N ATOM 55 CA ILE A 5 -12.871 -6.308 1.247 1.00 44.23 C ATOM 56 C ILE A 5 -14.095 -5.699 0.531 1.00 2.22 C ATOM 57 O ILE A 5 -14.028 -4.566 0.039 1.00 23.41 O ATOM 58 CB ILE A 5 -12.221 -7.429 0.335 1.00 33.33 C ATOM 59 CG1 ILE A 5 -10.902 -7.961 0.980 1.00 74.51 C ATOM 60 CG2 ILE A 5 -11.983 -6.937 -1.112 1.00 52.32 C ATOM 61 CD1 ILE A 5 -10.181 -9.052 0.195 1.00 70.42 C ATOM 0 H ILE A 5 -13.014 -7.850 2.669 1.00 65.23 H new ATOM 0 HA ILE A 5 -12.137 -5.521 1.419 1.00 44.23 H new ATOM 0 HB ILE A 5 -12.930 -8.254 0.271 1.00 33.33 H new ATOM 0 HG12 ILE A 5 -10.219 -7.122 1.113 1.00 74.51 H new ATOM 0 HG13 ILE A 5 -11.133 -8.345 1.974 1.00 74.51 H new ATOM 0 HG21 ILE A 5 -11.536 -7.739 -1.700 1.00 52.32 H new ATOM 0 HG22 ILE A 5 -12.934 -6.646 -1.558 1.00 52.32 H new ATOM 0 HG23 ILE A 5 -11.311 -6.079 -1.099 1.00 52.32 H new ATOM 0 HD11 ILE A 5 -9.279 -9.350 0.730 1.00 70.42 H new ATOM 0 HD12 ILE A 5 -10.838 -9.915 0.083 1.00 70.42 H new ATOM 0 HD13 ILE A 5 -9.910 -8.673 -0.790 1.00 70.42 H new ATOM 73 N ALA A 6 -15.216 -6.456 0.552 1.00 4.04 N ATOM 74 CA ALA A 6 -16.489 -6.064 -0.077 1.00 52.01 C ATOM 75 C ALA A 6 -16.976 -4.693 0.437 1.00 72.52 C ATOM 76 O ALA A 6 -17.447 -3.864 -0.344 1.00 11.42 O ATOM 77 CB ALA A 6 -17.552 -7.147 0.170 1.00 73.44 C ATOM 0 H ALA A 6 -15.258 -7.365 1.012 1.00 4.04 H new ATOM 0 HA ALA A 6 -16.323 -5.968 -1.150 1.00 52.01 H new ATOM 0 HB1 ALA A 6 -18.490 -6.849 -0.298 1.00 73.44 H new ATOM 0 HB2 ALA A 6 -17.216 -8.091 -0.259 1.00 73.44 H new ATOM 0 HB3 ALA A 6 -17.705 -7.269 1.242 1.00 73.44 H new ATOM 83 N LYS A 7 -16.805 -4.468 1.755 1.00 3.13 N ATOM 84 CA LYS A 7 -17.178 -3.206 2.417 1.00 2.42 C ATOM 85 C LYS A 7 -16.303 -2.035 1.912 1.00 24.21 C ATOM 86 O LYS A 7 -16.825 -0.974 1.564 1.00 41.24 O ATOM 87 CB LYS A 7 -17.040 -3.341 3.960 1.00 41.14 C ATOM 88 CG LYS A 7 -17.281 -2.020 4.737 1.00 51.02 C ATOM 89 CD LYS A 7 -17.000 -2.138 6.257 1.00 60.13 C ATOM 90 CE LYS A 7 -17.110 -0.779 6.970 1.00 40.12 C ATOM 91 NZ LYS A 7 -16.833 -0.871 8.428 1.00 15.01 N ATOM 0 H LYS A 7 -16.404 -5.158 2.390 1.00 3.13 H new ATOM 0 HA LYS A 7 -18.218 -2.993 2.169 1.00 2.42 H new ATOM 0 HB2 LYS A 7 -17.748 -4.091 4.313 1.00 41.14 H new ATOM 0 HB3 LYS A 7 -16.041 -3.710 4.194 1.00 41.14 H new ATOM 0 HG2 LYS A 7 -16.646 -1.240 4.317 1.00 51.02 H new ATOM 0 HG3 LYS A 7 -18.314 -1.704 4.590 1.00 51.02 H new ATOM 0 HD2 LYS A 7 -17.705 -2.840 6.703 1.00 60.13 H new ATOM 0 HD3 LYS A 7 -16.002 -2.548 6.411 1.00 60.13 H new ATOM 0 HE2 LYS A 7 -16.411 -0.077 6.515 1.00 40.12 H new ATOM 0 HE3 LYS A 7 -18.111 -0.374 6.819 1.00 40.12 H new ATOM 0 HZ1 LYS A 7 -16.921 0.072 8.858 1.00 15.01 H new ATOM 0 HZ2 LYS A 7 -17.516 -1.519 8.871 1.00 15.01 H new ATOM 0 HZ3 LYS A 7 -15.868 -1.231 8.576 1.00 15.01 H new ATOM 105 N PHE A 8 -14.971 -2.258 1.871 1.00 41.04 N ATOM 106 CA PHE A 8 -13.981 -1.204 1.544 1.00 61.41 C ATOM 107 C PHE A 8 -14.085 -0.757 0.069 1.00 71.13 C ATOM 108 O PHE A 8 -13.757 0.384 -0.254 1.00 13.24 O ATOM 109 CB PHE A 8 -12.538 -1.679 1.848 1.00 10.44 C ATOM 110 CG PHE A 8 -12.278 -2.112 3.294 1.00 44.35 C ATOM 111 CD1 PHE A 8 -12.664 -1.301 4.362 1.00 52.44 C ATOM 112 CD2 PHE A 8 -11.647 -3.326 3.585 1.00 23.10 C ATOM 113 CE1 PHE A 8 -12.433 -1.692 5.664 1.00 54.32 C ATOM 114 CE2 PHE A 8 -11.420 -3.715 4.893 1.00 2.51 C ATOM 115 CZ PHE A 8 -11.815 -2.899 5.933 1.00 12.05 C ATOM 0 H PHE A 8 -14.552 -3.168 2.062 1.00 41.04 H new ATOM 0 HA PHE A 8 -14.212 -0.347 2.177 1.00 61.41 H new ATOM 0 HB2 PHE A 8 -12.303 -2.515 1.189 1.00 10.44 H new ATOM 0 HB3 PHE A 8 -11.848 -0.872 1.599 1.00 10.44 H new ATOM 0 HD1 PHE A 8 -13.149 -0.356 4.167 1.00 52.44 H new ATOM 0 HD2 PHE A 8 -11.332 -3.969 2.776 1.00 23.10 H new ATOM 0 HE1 PHE A 8 -12.737 -1.051 6.479 1.00 54.32 H new ATOM 0 HE2 PHE A 8 -10.934 -4.657 5.100 1.00 2.51 H new ATOM 0 HZ PHE A 8 -11.642 -3.202 6.955 1.00 12.05 H new ATOM 125 N GLU A 9 -14.538 -1.673 -0.809 1.00 61.24 N ATOM 126 CA GLU A 9 -14.754 -1.380 -2.245 1.00 44.13 C ATOM 127 C GLU A 9 -16.005 -0.507 -2.442 1.00 3.02 C ATOM 128 O GLU A 9 -16.016 0.391 -3.286 1.00 21.44 O ATOM 129 CB GLU A 9 -14.885 -2.693 -3.051 1.00 1.00 C ATOM 130 CG GLU A 9 -13.625 -3.572 -3.011 1.00 32.22 C ATOM 131 CD GLU A 9 -13.824 -4.909 -3.729 1.00 65.32 C ATOM 132 OE1 GLU A 9 -14.514 -5.789 -3.171 1.00 73.23 O ATOM 133 OE2 GLU A 9 -13.327 -5.074 -4.868 1.00 24.42 O ATOM 0 H GLU A 9 -14.764 -2.633 -0.548 1.00 61.24 H new ATOM 0 HA GLU A 9 -13.889 -0.829 -2.613 1.00 44.13 H new ATOM 0 HB2 GLU A 9 -15.728 -3.264 -2.663 1.00 1.00 H new ATOM 0 HB3 GLU A 9 -15.115 -2.450 -4.088 1.00 1.00 H new ATOM 0 HG2 GLU A 9 -12.796 -3.035 -3.472 1.00 32.22 H new ATOM 0 HG3 GLU A 9 -13.347 -3.758 -1.973 1.00 32.22 H new ATOM 140 N LYS A 10 -17.055 -0.794 -1.650 1.00 20.21 N ATOM 141 CA LYS A 10 -18.304 -0.002 -1.646 1.00 4.50 C ATOM 142 C LYS A 10 -18.061 1.379 -1.007 1.00 72.40 C ATOM 143 O LYS A 10 -18.715 2.360 -1.369 1.00 15.33 O ATOM 144 CB LYS A 10 -19.426 -0.769 -0.892 1.00 15.45 C ATOM 145 CG LYS A 10 -19.826 -2.100 -1.563 1.00 75.33 C ATOM 146 CD LYS A 10 -20.888 -2.880 -0.758 1.00 41.41 C ATOM 147 CE LYS A 10 -21.246 -4.226 -1.402 1.00 1.24 C ATOM 148 NZ LYS A 10 -22.264 -4.968 -0.609 1.00 34.44 N ATOM 0 H LYS A 10 -17.064 -1.577 -0.997 1.00 20.21 H new ATOM 0 HA LYS A 10 -18.626 0.151 -2.676 1.00 4.50 H new ATOM 0 HB2 LYS A 10 -19.095 -0.971 0.127 1.00 15.45 H new ATOM 0 HB3 LYS A 10 -20.306 -0.130 -0.820 1.00 15.45 H new ATOM 0 HG2 LYS A 10 -20.211 -1.897 -2.562 1.00 75.33 H new ATOM 0 HG3 LYS A 10 -18.939 -2.722 -1.684 1.00 75.33 H new ATOM 0 HD2 LYS A 10 -20.518 -3.052 0.253 1.00 41.41 H new ATOM 0 HD3 LYS A 10 -21.789 -2.273 -0.669 1.00 41.41 H new ATOM 0 HE2 LYS A 10 -21.624 -4.057 -2.410 1.00 1.24 H new ATOM 0 HE3 LYS A 10 -20.346 -4.834 -1.497 1.00 1.24 H new ATOM 0 HZ1 LYS A 10 -22.478 -5.871 -1.078 1.00 34.44 H new ATOM 0 HZ2 LYS A 10 -21.894 -5.152 0.345 1.00 34.44 H new ATOM 0 HZ3 LYS A 10 -23.132 -4.399 -0.540 1.00 34.44 H new ATOM 162 N ALA A 11 -17.111 1.427 -0.055 1.00 61.11 N ATOM 163 CA ALA A 11 -16.667 2.673 0.587 1.00 23.34 C ATOM 164 C ALA A 11 -15.817 3.496 -0.393 1.00 61.41 C ATOM 165 O ALA A 11 -15.882 4.731 -0.411 1.00 13.44 O ATOM 166 CB ALA A 11 -15.883 2.359 1.872 1.00 34.54 C ATOM 0 H ALA A 11 -16.629 0.597 0.290 1.00 61.11 H new ATOM 0 HA ALA A 11 -17.540 3.265 0.861 1.00 23.34 H new ATOM 0 HB1 ALA A 11 -15.560 3.290 2.338 1.00 34.54 H new ATOM 0 HB2 ALA A 11 -16.522 1.810 2.563 1.00 34.54 H new ATOM 0 HB3 ALA A 11 -15.010 1.754 1.627 1.00 34.54 H new ATOM 172 N TYR A 12 -15.044 2.790 -1.235 1.00 51.23 N ATOM 173 CA TYR A 12 -14.209 3.400 -2.280 1.00 44.42 C ATOM 174 C TYR A 12 -15.044 3.467 -3.582 1.00 20.33 C ATOM 175 O TYR A 12 -14.660 2.919 -4.624 1.00 22.03 O ATOM 176 CB TYR A 12 -12.892 2.564 -2.475 1.00 53.22 C ATOM 177 CG TYR A 12 -11.695 3.380 -2.995 1.00 13.14 C ATOM 178 CD1 TYR A 12 -11.796 4.197 -4.123 1.00 15.24 C ATOM 179 CD2 TYR A 12 -10.469 3.357 -2.340 1.00 3.24 C ATOM 180 CE1 TYR A 12 -10.732 4.946 -4.562 1.00 3.33 C ATOM 181 CE2 TYR A 12 -9.414 4.096 -2.786 1.00 25.14 C ATOM 182 CZ TYR A 12 -9.543 4.891 -3.891 1.00 51.22 C ATOM 183 OH TYR A 12 -8.480 5.657 -4.306 1.00 33.22 O ATOM 0 H TYR A 12 -14.981 1.772 -1.208 1.00 51.23 H new ATOM 0 HA TYR A 12 -13.908 4.408 -1.996 1.00 44.42 H new ATOM 0 HB2 TYR A 12 -12.620 2.109 -1.523 1.00 53.22 H new ATOM 0 HB3 TYR A 12 -13.092 1.750 -3.172 1.00 53.22 H new ATOM 0 HD1 TYR A 12 -12.731 4.241 -4.662 1.00 15.24 H new ATOM 0 HD2 TYR A 12 -10.350 2.742 -1.461 1.00 3.24 H new ATOM 0 HE1 TYR A 12 -10.835 5.576 -5.434 1.00 3.33 H new ATOM 0 HE2 TYR A 12 -8.470 4.053 -2.263 1.00 25.14 H new ATOM 0 HH TYR A 12 -7.713 5.498 -3.717 1.00 33.22 H new ATOM 193 N LYS A 13 -16.191 4.138 -3.506 1.00 63.05 N ATOM 194 CA LYS A 13 -17.138 4.228 -4.621 1.00 44.02 C ATOM 195 C LYS A 13 -16.850 5.503 -5.406 1.00 64.33 C ATOM 196 O LYS A 13 -17.158 6.613 -4.925 1.00 14.21 O ATOM 197 CB LYS A 13 -18.592 4.247 -4.097 1.00 21.45 C ATOM 198 CG LYS A 13 -19.670 4.316 -5.208 1.00 13.42 C ATOM 199 CD LYS A 13 -21.082 4.691 -4.697 1.00 2.53 C ATOM 200 CE LYS A 13 -21.251 6.192 -4.375 1.00 12.45 C ATOM 201 NZ LYS A 13 -20.429 6.646 -3.220 1.00 22.44 N ATOM 0 H LYS A 13 -16.493 4.637 -2.669 1.00 63.05 H new ATOM 0 HA LYS A 13 -17.021 3.358 -5.267 1.00 44.02 H new ATOM 0 HB2 LYS A 13 -18.761 3.352 -3.498 1.00 21.45 H new ATOM 0 HB3 LYS A 13 -18.715 5.103 -3.434 1.00 21.45 H new ATOM 0 HG2 LYS A 13 -19.360 5.047 -5.955 1.00 13.42 H new ATOM 0 HG3 LYS A 13 -19.722 3.350 -5.709 1.00 13.42 H new ATOM 0 HD2 LYS A 13 -21.818 4.405 -5.449 1.00 2.53 H new ATOM 0 HD3 LYS A 13 -21.300 4.110 -3.801 1.00 2.53 H new ATOM 0 HE2 LYS A 13 -20.982 6.777 -5.255 1.00 12.45 H new ATOM 0 HE3 LYS A 13 -22.301 6.395 -4.166 1.00 12.45 H new ATOM 0 HZ1 LYS A 13 -20.903 7.443 -2.749 1.00 22.44 H new ATOM 0 HZ2 LYS A 13 -20.316 5.863 -2.545 1.00 22.44 H new ATOM 0 HZ3 LYS A 13 -19.493 6.950 -3.558 1.00 22.44 H new ATOM 215 N LYS A 14 -16.178 5.339 -6.568 1.00 54.44 N ATOM 216 CA LYS A 14 -15.989 6.412 -7.569 1.00 3.43 C ATOM 217 C LYS A 14 -15.120 7.561 -6.989 1.00 61.40 C ATOM 218 O LYS A 14 -15.117 8.692 -7.491 1.00 31.14 O ATOM 219 CB LYS A 14 -17.405 6.875 -8.046 1.00 44.02 C ATOM 220 CG LYS A 14 -17.461 7.670 -9.365 1.00 21.13 C ATOM 221 CD LYS A 14 -18.914 7.802 -9.886 1.00 21.21 C ATOM 222 CE LYS A 14 -18.997 8.536 -11.228 1.00 50.21 C ATOM 223 NZ LYS A 14 -18.592 9.955 -11.109 1.00 74.34 N ATOM 0 H LYS A 14 -15.750 4.454 -6.838 1.00 54.44 H new ATOM 0 HA LYS A 14 -15.438 6.050 -8.437 1.00 3.43 H new ATOM 0 HB2 LYS A 14 -18.034 5.992 -8.153 1.00 44.02 H new ATOM 0 HB3 LYS A 14 -17.846 7.487 -7.260 1.00 44.02 H new ATOM 0 HG2 LYS A 14 -17.037 8.662 -9.211 1.00 21.13 H new ATOM 0 HG3 LYS A 14 -16.847 7.174 -10.117 1.00 21.13 H new ATOM 0 HD2 LYS A 14 -19.349 6.808 -9.993 1.00 21.21 H new ATOM 0 HD3 LYS A 14 -19.513 8.335 -9.148 1.00 21.21 H new ATOM 0 HE2 LYS A 14 -18.357 8.036 -11.955 1.00 50.21 H new ATOM 0 HE3 LYS A 14 -20.017 8.481 -11.609 1.00 50.21 H new ATOM 0 HZ1 LYS A 14 -18.597 10.398 -12.050 1.00 74.34 H new ATOM 0 HZ2 LYS A 14 -19.259 10.455 -10.487 1.00 74.34 H new ATOM 0 HZ3 LYS A 14 -17.635 10.010 -10.706 1.00 74.34 H new ATOM 237 N ALA A 15 -14.352 7.216 -5.934 1.00 70.22 N ATOM 238 CA ALA A 15 -13.500 8.152 -5.184 1.00 52.31 C ATOM 239 C ALA A 15 -12.139 8.290 -5.892 1.00 1.44 C ATOM 240 O ALA A 15 -11.110 7.829 -5.399 1.00 61.04 O ATOM 241 CB ALA A 15 -13.355 7.668 -3.719 1.00 21.44 C ATOM 0 H ALA A 15 -14.309 6.262 -5.576 1.00 70.22 H new ATOM 0 HA ALA A 15 -13.958 9.141 -5.156 1.00 52.31 H new ATOM 0 HB1 ALA A 15 -12.723 8.364 -3.167 1.00 21.44 H new ATOM 0 HB2 ALA A 15 -14.339 7.622 -3.252 1.00 21.44 H new ATOM 0 HB3 ALA A 15 -12.901 6.677 -3.706 1.00 21.44 H new ATOM 247 N GLU A 16 -12.165 8.896 -7.086 1.00 11.21 N ATOM 248 CA GLU A 16 -10.981 9.035 -7.971 1.00 61.24 C ATOM 249 C GLU A 16 -10.972 10.442 -8.615 1.00 63.44 C ATOM 250 O GLU A 16 -10.186 10.706 -9.525 1.00 24.44 O ATOM 251 CB GLU A 16 -11.036 7.937 -9.087 1.00 2.13 C ATOM 252 CG GLU A 16 -11.062 6.481 -8.566 1.00 31.34 C ATOM 253 CD GLU A 16 -11.340 5.460 -9.674 1.00 3.45 C ATOM 254 OE1 GLU A 16 -12.525 5.153 -9.930 1.00 32.03 O ATOM 255 OE2 GLU A 16 -10.377 4.958 -10.301 1.00 75.23 O ATOM 0 H GLU A 16 -13.011 9.310 -7.476 1.00 11.21 H new ATOM 0 HA GLU A 16 -10.071 8.909 -7.385 1.00 61.24 H new ATOM 0 HB2 GLU A 16 -11.923 8.105 -9.698 1.00 2.13 H new ATOM 0 HB3 GLU A 16 -10.171 8.059 -9.739 1.00 2.13 H new ATOM 0 HG2 GLU A 16 -10.105 6.250 -8.097 1.00 31.34 H new ATOM 0 HG3 GLU A 16 -11.826 6.390 -7.794 1.00 31.34 H new ATOM 262 N GLU A 17 -11.824 11.343 -8.098 1.00 22.10 N ATOM 263 CA GLU A 17 -12.121 12.641 -8.737 1.00 12.41 C ATOM 264 C GLU A 17 -12.089 13.796 -7.719 1.00 61.43 C ATOM 265 O GLU A 17 -11.843 13.577 -6.517 1.00 60.44 O ATOM 266 CB GLU A 17 -13.514 12.568 -9.426 1.00 21.04 C ATOM 267 CG GLU A 17 -14.670 12.200 -8.472 1.00 14.22 C ATOM 268 CD GLU A 17 -16.048 12.232 -9.152 1.00 13.41 C ATOM 269 OE1 GLU A 17 -16.429 11.233 -9.784 1.00 4.44 O ATOM 270 OE2 GLU A 17 -16.743 13.280 -9.067 1.00 73.10 O ATOM 0 H GLU A 17 -12.328 11.194 -7.224 1.00 22.10 H new ATOM 0 HA GLU A 17 -11.351 12.842 -9.481 1.00 12.41 H new ATOM 0 HB2 GLU A 17 -13.730 13.532 -9.887 1.00 21.04 H new ATOM 0 HB3 GLU A 17 -13.472 11.833 -10.229 1.00 21.04 H new ATOM 0 HG2 GLU A 17 -14.495 11.203 -8.067 1.00 14.22 H new ATOM 0 HG3 GLU A 17 -14.671 12.891 -7.629 1.00 14.22 H new ATOM 277 N LEU A 18 -12.292 15.032 -8.254 1.00 31.32 N ATOM 278 CA LEU A 18 -12.560 16.268 -7.473 1.00 40.14 C ATOM 279 C LEU A 18 -11.284 16.761 -6.729 1.00 44.04 C ATOM 280 O LEU A 18 -11.360 17.648 -5.879 1.00 42.02 O ATOM 281 CB LEU A 18 -13.794 16.020 -6.514 1.00 34.22 C ATOM 282 CG LEU A 18 -14.872 17.148 -6.393 1.00 11.43 C ATOM 283 CD1 LEU A 18 -16.149 16.619 -5.694 1.00 64.53 C ATOM 284 CD2 LEU A 18 -14.338 18.391 -5.653 1.00 42.53 C ATOM 0 H LEU A 18 -12.273 15.198 -9.260 1.00 31.32 H new ATOM 0 HA LEU A 18 -12.826 17.081 -8.149 1.00 40.14 H new ATOM 0 HB2 LEU A 18 -14.297 15.112 -6.846 1.00 34.22 H new ATOM 0 HB3 LEU A 18 -13.405 15.822 -5.515 1.00 34.22 H new ATOM 0 HG LEU A 18 -15.123 17.453 -7.409 1.00 11.43 H new ATOM 0 HD11 LEU A 18 -16.883 17.421 -5.622 1.00 64.53 H new ATOM 0 HD12 LEU A 18 -16.567 15.796 -6.274 1.00 64.53 H new ATOM 0 HD13 LEU A 18 -15.897 16.267 -4.694 1.00 64.53 H new ATOM 0 HD21 LEU A 18 -15.123 19.145 -5.595 1.00 42.53 H new ATOM 0 HD22 LEU A 18 -14.029 18.110 -4.646 1.00 42.53 H new ATOM 0 HD23 LEU A 18 -13.484 18.798 -6.194 1.00 42.53 H new ATOM 296 N ASN A 19 -10.115 16.202 -7.116 1.00 44.45 N ATOM 297 CA ASN A 19 -8.817 16.420 -6.438 1.00 15.11 C ATOM 298 C ASN A 19 -8.958 16.140 -4.927 1.00 43.12 C ATOM 299 O ASN A 19 -8.980 17.051 -4.088 1.00 5.42 O ATOM 300 CB ASN A 19 -8.224 17.836 -6.738 1.00 40.34 C ATOM 301 CG ASN A 19 -6.847 18.060 -6.089 1.00 11.13 C ATOM 302 OD1 ASN A 19 -6.734 18.616 -5.000 1.00 41.44 O ATOM 303 ND2 ASN A 19 -5.791 17.586 -6.739 1.00 54.32 N ATOM 0 H ASN A 19 -10.046 15.578 -7.920 1.00 44.45 H new ATOM 0 HA ASN A 19 -8.094 15.712 -6.843 1.00 15.11 H new ATOM 0 HB2 ASN A 19 -8.137 17.966 -7.817 1.00 40.34 H new ATOM 0 HB3 ASN A 19 -8.917 18.597 -6.380 1.00 40.34 H new ATOM 0 HD21 ASN A 19 -4.859 17.680 -6.335 1.00 54.32 H new ATOM 0 HD22 ASN A 19 -5.912 17.128 -7.642 1.00 54.32 H new ATOM 310 N GLN A 20 -9.175 14.861 -4.608 1.00 20.22 N ATOM 311 CA GLN A 20 -9.364 14.392 -3.231 1.00 42.44 C ATOM 312 C GLN A 20 -8.433 13.212 -2.978 1.00 4.13 C ATOM 313 O GLN A 20 -8.005 12.540 -3.929 1.00 23.53 O ATOM 314 CB GLN A 20 -10.845 13.967 -3.003 1.00 11.53 C ATOM 315 CG GLN A 20 -11.892 15.021 -3.398 1.00 71.02 C ATOM 316 CD GLN A 20 -13.321 14.567 -3.121 1.00 4.15 C ATOM 317 OE1 GLN A 20 -13.877 14.847 -2.066 1.00 64.53 O ATOM 318 NE2 GLN A 20 -13.912 13.820 -4.050 1.00 15.25 N ATOM 0 H GLN A 20 -9.225 14.116 -5.303 1.00 20.22 H new ATOM 0 HA GLN A 20 -9.130 15.199 -2.536 1.00 42.44 H new ATOM 0 HB2 GLN A 20 -11.037 13.056 -3.570 1.00 11.53 H new ATOM 0 HB3 GLN A 20 -10.979 13.721 -1.950 1.00 11.53 H new ATOM 0 HG2 GLN A 20 -11.696 15.944 -2.851 1.00 71.02 H new ATOM 0 HG3 GLN A 20 -11.788 15.251 -4.458 1.00 71.02 H new ATOM 0 HE21 GLN A 20 -13.422 13.604 -4.918 1.00 15.25 H new ATOM 0 HE22 GLN A 20 -14.855 13.463 -3.894 1.00 15.25 H new ATOM 327 N GLY A 21 -8.141 12.956 -1.698 1.00 14.01 N ATOM 328 CA GLY A 21 -7.258 11.861 -1.323 1.00 11.04 C ATOM 329 C GLY A 21 -7.503 11.341 0.084 1.00 55.24 C ATOM 330 O GLY A 21 -7.379 10.145 0.331 1.00 14.34 O ATOM 0 H GLY A 21 -8.505 13.494 -0.911 1.00 14.01 H new ATOM 0 HA2 GLY A 21 -7.385 11.043 -2.032 1.00 11.04 H new ATOM 0 HA3 GLY A 21 -6.223 12.195 -1.404 1.00 11.04 H new ATOM 334 N GLU A 22 -7.825 12.249 1.016 1.00 65.43 N ATOM 335 CA GLU A 22 -8.098 11.896 2.428 1.00 61.04 C ATOM 336 C GLU A 22 -9.310 10.940 2.537 1.00 5.00 C ATOM 337 O GLU A 22 -9.299 10.009 3.344 1.00 1.15 O ATOM 338 CB GLU A 22 -8.264 13.211 3.256 1.00 2.22 C ATOM 339 CG GLU A 22 -8.551 13.054 4.780 1.00 35.02 C ATOM 340 CD GLU A 22 -10.049 12.881 5.129 1.00 44.32 C ATOM 341 OE1 GLU A 22 -10.827 13.835 4.904 1.00 42.02 O ATOM 342 OE2 GLU A 22 -10.454 11.803 5.616 1.00 21.12 O ATOM 0 H GLU A 22 -7.905 13.247 0.820 1.00 65.43 H new ATOM 0 HA GLU A 22 -7.257 11.345 2.849 1.00 61.04 H new ATOM 0 HB2 GLU A 22 -7.355 13.801 3.141 1.00 2.22 H new ATOM 0 HB3 GLU A 22 -9.077 13.789 2.816 1.00 2.22 H new ATOM 0 HG2 GLU A 22 -8.000 12.191 5.155 1.00 35.02 H new ATOM 0 HG3 GLU A 22 -8.166 13.930 5.303 1.00 35.02 H new ATOM 349 N LEU A 23 -10.311 11.147 1.667 1.00 31.15 N ATOM 350 CA LEU A 23 -11.545 10.321 1.629 1.00 61.42 C ATOM 351 C LEU A 23 -11.321 8.929 0.982 1.00 75.44 C ATOM 352 O LEU A 23 -12.247 8.110 0.939 1.00 34.35 O ATOM 353 CB LEU A 23 -12.654 11.079 0.847 1.00 51.45 C ATOM 354 CG LEU A 23 -13.117 12.443 1.450 1.00 60.31 C ATOM 355 CD1 LEU A 23 -14.203 13.107 0.573 1.00 3.04 C ATOM 356 CD2 LEU A 23 -13.601 12.276 2.906 1.00 14.22 C ATOM 0 H LEU A 23 -10.295 11.889 0.967 1.00 31.15 H new ATOM 0 HA LEU A 23 -11.847 10.152 2.662 1.00 61.42 H new ATOM 0 HB2 LEU A 23 -12.297 11.257 -0.167 1.00 51.45 H new ATOM 0 HB3 LEU A 23 -13.524 10.427 0.768 1.00 51.45 H new ATOM 0 HG LEU A 23 -12.252 13.106 1.462 1.00 60.31 H new ATOM 0 HD11 LEU A 23 -14.503 14.054 1.021 1.00 3.04 H new ATOM 0 HD12 LEU A 23 -13.804 13.288 -0.425 1.00 3.04 H new ATOM 0 HD13 LEU A 23 -15.068 12.448 0.504 1.00 3.04 H new ATOM 0 HD21 LEU A 23 -13.917 13.243 3.298 1.00 14.22 H new ATOM 0 HD22 LEU A 23 -14.441 11.582 2.933 1.00 14.22 H new ATOM 0 HD23 LEU A 23 -12.788 11.885 3.517 1.00 14.22 H new ATOM 368 N MET A 24 -10.112 8.676 0.467 1.00 13.42 N ATOM 369 CA MET A 24 -9.787 7.450 -0.291 1.00 74.42 C ATOM 370 C MET A 24 -8.356 6.991 0.035 1.00 4.03 C ATOM 371 O MET A 24 -7.733 7.525 0.960 1.00 74.22 O ATOM 372 CB MET A 24 -9.977 7.752 -1.801 1.00 5.44 C ATOM 373 CG MET A 24 -9.001 8.790 -2.379 1.00 50.24 C ATOM 374 SD MET A 24 -9.630 9.645 -3.829 1.00 0.22 S ATOM 375 CE MET A 24 -11.088 10.432 -3.143 1.00 40.52 C ATOM 0 H MET A 24 -9.324 9.316 0.562 1.00 13.42 H new ATOM 0 HA MET A 24 -10.450 6.632 -0.011 1.00 74.42 H new ATOM 0 HB2 MET A 24 -9.869 6.822 -2.359 1.00 5.44 H new ATOM 0 HB3 MET A 24 -10.996 8.104 -1.961 1.00 5.44 H new ATOM 0 HG2 MET A 24 -8.767 9.524 -1.608 1.00 50.24 H new ATOM 0 HG3 MET A 24 -8.067 8.292 -2.639 1.00 50.24 H new ATOM 0 HE1 MET A 24 -11.714 10.808 -3.953 1.00 40.52 H new ATOM 0 HE2 MET A 24 -11.651 9.706 -2.556 1.00 40.52 H new ATOM 0 HE3 MET A 24 -10.787 11.261 -2.502 1.00 40.52 H new ATOM 385 N GLY A 25 -7.841 5.998 -0.718 1.00 11.42 N ATOM 386 CA GLY A 25 -6.504 5.425 -0.488 1.00 33.21 C ATOM 387 C GLY A 25 -6.460 4.447 0.677 1.00 1.43 C ATOM 388 O GLY A 25 -6.049 3.294 0.521 1.00 60.44 O ATOM 0 H GLY A 25 -8.340 5.574 -1.500 1.00 11.42 H new ATOM 0 HA2 GLY A 25 -6.174 4.916 -1.393 1.00 33.21 H new ATOM 0 HA3 GLY A 25 -5.797 6.233 -0.301 1.00 33.21 H new ATOM 392 N ARG A 26 -6.892 4.941 1.847 1.00 21.41 N ATOM 393 CA ARG A 26 -6.973 4.179 3.099 1.00 14.33 C ATOM 394 C ARG A 26 -7.811 2.899 2.924 1.00 42.01 C ATOM 395 O ARG A 26 -7.425 1.838 3.408 1.00 40.54 O ATOM 396 CB ARG A 26 -7.588 5.067 4.224 1.00 2.11 C ATOM 397 CG ARG A 26 -6.954 6.470 4.346 1.00 23.20 C ATOM 398 CD ARG A 26 -7.450 7.247 5.571 1.00 35.31 C ATOM 399 NE ARG A 26 -7.074 6.577 6.826 1.00 34.50 N ATOM 400 CZ ARG A 26 -7.658 6.761 8.017 1.00 60.23 C ATOM 401 NH1 ARG A 26 -8.682 7.605 8.165 1.00 70.52 N ATOM 402 NH2 ARG A 26 -7.202 6.088 9.062 1.00 31.11 N ATOM 0 H ARG A 26 -7.203 5.907 1.950 1.00 21.41 H new ATOM 0 HA ARG A 26 -5.962 3.885 3.380 1.00 14.33 H new ATOM 0 HB2 ARG A 26 -8.656 5.179 4.039 1.00 2.11 H new ATOM 0 HB3 ARG A 26 -7.482 4.549 5.177 1.00 2.11 H new ATOM 0 HG2 ARG A 26 -5.870 6.369 4.401 1.00 23.20 H new ATOM 0 HG3 ARG A 26 -7.176 7.042 3.445 1.00 23.20 H new ATOM 0 HD2 ARG A 26 -7.034 8.254 5.557 1.00 35.31 H new ATOM 0 HD3 ARG A 26 -8.534 7.349 5.523 1.00 35.31 H new ATOM 0 HE ARG A 26 -6.300 5.914 6.785 1.00 34.50 H new ATOM 0 HH11 ARG A 26 -9.034 8.125 7.361 1.00 70.52 H new ATOM 0 HH12 ARG A 26 -9.112 7.730 9.082 1.00 70.52 H new ATOM 0 HH21 ARG A 26 -6.419 5.443 8.951 1.00 31.11 H new ATOM 0 HH22 ARG A 26 -7.633 6.214 9.978 1.00 31.11 H new ATOM 416 N ALA A 27 -8.944 3.030 2.198 1.00 22.51 N ATOM 417 CA ALA A 27 -9.861 1.909 1.907 1.00 44.03 C ATOM 418 C ALA A 27 -9.142 0.795 1.114 1.00 21.50 C ATOM 419 O ALA A 27 -9.328 -0.383 1.417 1.00 74.53 O ATOM 420 CB ALA A 27 -11.106 2.415 1.161 1.00 21.10 C ATOM 0 H ALA A 27 -9.247 3.918 1.798 1.00 22.51 H new ATOM 0 HA ALA A 27 -10.187 1.476 2.853 1.00 44.03 H new ATOM 0 HB1 ALA A 27 -11.772 1.577 0.954 1.00 21.10 H new ATOM 0 HB2 ALA A 27 -11.626 3.148 1.777 1.00 21.10 H new ATOM 0 HB3 ALA A 27 -10.804 2.879 0.222 1.00 21.10 H new ATOM 426 N LEU A 28 -8.299 1.194 0.125 1.00 12.23 N ATOM 427 CA LEU A 28 -7.466 0.242 -0.650 1.00 62.11 C ATOM 428 C LEU A 28 -6.473 -0.483 0.274 1.00 45.11 C ATOM 429 O LEU A 28 -6.360 -1.700 0.226 1.00 33.22 O ATOM 430 CB LEU A 28 -6.687 0.946 -1.793 1.00 55.33 C ATOM 431 CG LEU A 28 -7.518 1.358 -3.035 1.00 13.21 C ATOM 432 CD1 LEU A 28 -6.653 2.124 -4.052 1.00 13.13 C ATOM 433 CD2 LEU A 28 -8.220 0.153 -3.694 1.00 23.45 C ATOM 0 H LEU A 28 -8.180 2.168 -0.152 1.00 12.23 H new ATOM 0 HA LEU A 28 -8.146 -0.482 -1.099 1.00 62.11 H new ATOM 0 HB2 LEU A 28 -6.214 1.839 -1.386 1.00 55.33 H new ATOM 0 HB3 LEU A 28 -5.886 0.283 -2.121 1.00 55.33 H new ATOM 0 HG LEU A 28 -8.303 2.029 -2.685 1.00 13.21 H new ATOM 0 HD11 LEU A 28 -7.262 2.400 -4.913 1.00 13.13 H new ATOM 0 HD12 LEU A 28 -6.255 3.025 -3.585 1.00 13.13 H new ATOM 0 HD13 LEU A 28 -5.829 1.490 -4.379 1.00 13.13 H new ATOM 0 HD21 LEU A 28 -8.789 0.492 -4.559 1.00 23.45 H new ATOM 0 HD22 LEU A 28 -7.473 -0.573 -4.013 1.00 23.45 H new ATOM 0 HD23 LEU A 28 -8.895 -0.313 -2.976 1.00 23.45 H new ATOM 445 N TYR A 29 -5.772 0.311 1.113 1.00 43.31 N ATOM 446 CA TYR A 29 -4.766 -0.175 2.088 1.00 2.22 C ATOM 447 C TYR A 29 -5.327 -1.326 2.962 1.00 75.33 C ATOM 448 O TYR A 29 -4.650 -2.342 3.164 1.00 64.02 O ATOM 449 CB TYR A 29 -4.276 1.021 2.970 1.00 62.22 C ATOM 450 CG TYR A 29 -3.461 0.620 4.208 1.00 52.25 C ATOM 451 CD1 TYR A 29 -2.099 0.315 4.122 1.00 63.54 C ATOM 452 CD2 TYR A 29 -4.071 0.514 5.467 1.00 31.43 C ATOM 453 CE1 TYR A 29 -1.383 -0.071 5.236 1.00 54.24 C ATOM 454 CE2 TYR A 29 -3.360 0.125 6.575 1.00 60.42 C ATOM 455 CZ TYR A 29 -2.021 -0.168 6.458 1.00 12.55 C ATOM 456 OH TYR A 29 -1.326 -0.576 7.568 1.00 15.22 O ATOM 0 H TYR A 29 -5.890 1.324 1.133 1.00 43.31 H new ATOM 0 HA TYR A 29 -3.917 -0.583 1.539 1.00 2.22 H new ATOM 0 HB2 TYR A 29 -3.670 1.684 2.353 1.00 62.22 H new ATOM 0 HB3 TYR A 29 -5.145 1.594 3.295 1.00 62.22 H new ATOM 0 HD1 TYR A 29 -1.599 0.383 3.167 1.00 63.54 H new ATOM 0 HD2 TYR A 29 -5.122 0.743 5.567 1.00 31.43 H new ATOM 0 HE1 TYR A 29 -0.330 -0.296 5.154 1.00 54.24 H new ATOM 0 HE2 TYR A 29 -3.850 0.049 7.535 1.00 60.42 H new ATOM 0 HH TYR A 29 -1.925 -0.588 8.343 1.00 15.22 H new ATOM 466 N ASN A 30 -6.569 -1.146 3.458 1.00 4.43 N ATOM 467 CA ASN A 30 -7.257 -2.148 4.302 1.00 41.43 C ATOM 468 C ASN A 30 -7.548 -3.452 3.523 1.00 15.10 C ATOM 469 O ASN A 30 -7.465 -4.549 4.091 1.00 10.03 O ATOM 470 CB ASN A 30 -8.568 -1.566 4.893 1.00 24.13 C ATOM 471 CG ASN A 30 -8.346 -0.578 6.041 1.00 24.13 C ATOM 472 OD1 ASN A 30 -8.172 -0.983 7.186 1.00 52.33 O ATOM 473 ND2 ASN A 30 -8.378 0.711 5.756 1.00 63.45 N ATOM 0 H ASN A 30 -7.122 -0.306 3.286 1.00 4.43 H new ATOM 0 HA ASN A 30 -6.584 -2.396 5.123 1.00 41.43 H new ATOM 0 HB2 ASN A 30 -9.123 -1.066 4.099 1.00 24.13 H new ATOM 0 HB3 ASN A 30 -9.191 -2.387 5.249 1.00 24.13 H new ATOM 0 HD21 ASN A 30 -8.256 1.400 6.498 1.00 63.45 H new ATOM 0 HD22 ASN A 30 -8.524 1.017 4.794 1.00 63.45 H new ATOM 480 N ILE A 31 -7.888 -3.311 2.226 1.00 21.11 N ATOM 481 CA ILE A 31 -8.081 -4.461 1.318 1.00 43.44 C ATOM 482 C ILE A 31 -6.744 -5.209 1.125 1.00 12.02 C ATOM 483 O ILE A 31 -6.716 -6.438 1.017 1.00 55.40 O ATOM 484 CB ILE A 31 -8.626 -4.023 -0.095 1.00 25.00 C ATOM 485 CG1 ILE A 31 -9.938 -3.203 0.028 1.00 52.44 C ATOM 486 CG2 ILE A 31 -8.842 -5.247 -1.012 1.00 23.53 C ATOM 487 CD1 ILE A 31 -10.435 -2.590 -1.277 1.00 3.21 C ATOM 0 H ILE A 31 -8.036 -2.405 1.781 1.00 21.11 H new ATOM 0 HA ILE A 31 -8.822 -5.112 1.781 1.00 43.44 H new ATOM 0 HB ILE A 31 -7.869 -3.382 -0.547 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -10.718 -3.850 0.429 1.00 52.44 H new ATOM 0 HG13 ILE A 31 -9.783 -2.404 0.753 1.00 52.44 H new ATOM 0 HG21 ILE A 31 -9.218 -4.915 -1.980 1.00 23.53 H new ATOM 0 HG22 ILE A 31 -7.895 -5.769 -1.151 1.00 23.53 H new ATOM 0 HG23 ILE A 31 -9.565 -5.922 -0.554 1.00 23.53 H new ATOM 0 HD11 ILE A 31 -11.356 -2.037 -1.092 1.00 3.21 H new ATOM 0 HD12 ILE A 31 -9.678 -1.913 -1.672 1.00 3.21 H new ATOM 0 HD13 ILE A 31 -10.627 -3.382 -2.001 1.00 3.21 H new ATOM 499 N GLY A 32 -5.648 -4.424 1.069 1.00 33.22 N ATOM 500 CA GLY A 32 -4.298 -4.951 0.922 1.00 31.24 C ATOM 501 C GLY A 32 -3.903 -5.854 2.082 1.00 34.23 C ATOM 502 O GLY A 32 -3.307 -6.908 1.872 1.00 55.34 O ATOM 0 H GLY A 32 -5.687 -3.406 1.126 1.00 33.22 H new ATOM 0 HA2 GLY A 32 -4.228 -5.510 -0.011 1.00 31.24 H new ATOM 0 HA3 GLY A 32 -3.592 -4.123 0.852 1.00 31.24 H new ATOM 506 N LEU A 33 -4.259 -5.429 3.308 1.00 20.21 N ATOM 507 CA LEU A 33 -4.022 -6.213 4.539 1.00 33.24 C ATOM 508 C LEU A 33 -4.706 -7.586 4.432 1.00 15.21 C ATOM 509 O LEU A 33 -4.083 -8.614 4.686 1.00 10.44 O ATOM 510 CB LEU A 33 -4.552 -5.441 5.776 1.00 35.51 C ATOM 511 CG LEU A 33 -3.912 -4.047 6.035 1.00 33.45 C ATOM 512 CD1 LEU A 33 -4.595 -3.344 7.219 1.00 21.45 C ATOM 513 CD2 LEU A 33 -2.384 -4.152 6.247 1.00 32.45 C ATOM 0 H LEU A 33 -4.719 -4.534 3.476 1.00 20.21 H new ATOM 0 HA LEU A 33 -2.949 -6.366 4.658 1.00 33.24 H new ATOM 0 HB2 LEU A 33 -5.628 -5.310 5.664 1.00 35.51 H new ATOM 0 HB3 LEU A 33 -4.397 -6.060 6.660 1.00 35.51 H new ATOM 0 HG LEU A 33 -4.071 -3.438 5.145 1.00 33.45 H new ATOM 0 HD11 LEU A 33 -4.131 -2.371 7.381 1.00 21.45 H new ATOM 0 HD12 LEU A 33 -5.654 -3.209 7.000 1.00 21.45 H new ATOM 0 HD13 LEU A 33 -4.485 -3.953 8.116 1.00 21.45 H new ATOM 0 HD21 LEU A 33 -1.972 -3.159 6.425 1.00 32.45 H new ATOM 0 HD22 LEU A 33 -2.179 -4.789 7.107 1.00 32.45 H new ATOM 0 HD23 LEU A 33 -1.922 -4.582 5.358 1.00 32.45 H new ATOM 525 N GLU A 34 -5.982 -7.554 3.996 1.00 53.21 N ATOM 526 CA GLU A 34 -6.811 -8.751 3.769 1.00 40.23 C ATOM 527 C GLU A 34 -6.159 -9.719 2.754 1.00 0.03 C ATOM 528 O GLU A 34 -6.132 -10.931 2.980 1.00 34.44 O ATOM 529 CB GLU A 34 -8.207 -8.319 3.261 1.00 24.53 C ATOM 530 CG GLU A 34 -9.087 -7.586 4.296 1.00 43.40 C ATOM 531 CD GLU A 34 -9.581 -8.512 5.419 1.00 2.01 C ATOM 532 OE1 GLU A 34 -10.438 -9.385 5.141 1.00 32.42 O ATOM 533 OE2 GLU A 34 -9.106 -8.391 6.571 1.00 2.23 O ATOM 0 H GLU A 34 -6.470 -6.683 3.789 1.00 53.21 H new ATOM 0 HA GLU A 34 -6.904 -9.282 4.716 1.00 40.23 H new ATOM 0 HB2 GLU A 34 -8.076 -7.670 2.395 1.00 24.53 H new ATOM 0 HB3 GLU A 34 -8.741 -9.205 2.917 1.00 24.53 H new ATOM 0 HG2 GLU A 34 -8.519 -6.764 4.732 1.00 43.40 H new ATOM 0 HG3 GLU A 34 -9.946 -7.146 3.789 1.00 43.40 H new ATOM 540 N LYS A 35 -5.630 -9.152 1.649 1.00 63.44 N ATOM 541 CA LYS A 35 -4.958 -9.922 0.579 1.00 30.14 C ATOM 542 C LYS A 35 -3.687 -10.607 1.112 1.00 23.03 C ATOM 543 O LYS A 35 -3.478 -11.799 0.886 1.00 75.51 O ATOM 544 CB LYS A 35 -4.587 -8.997 -0.611 1.00 34.12 C ATOM 545 CG LYS A 35 -5.776 -8.428 -1.415 1.00 45.13 C ATOM 546 CD LYS A 35 -6.615 -9.522 -2.116 1.00 32.32 C ATOM 547 CE LYS A 35 -7.525 -8.967 -3.232 1.00 34.02 C ATOM 548 NZ LYS A 35 -8.536 -8.005 -2.730 1.00 75.12 N ATOM 0 H LYS A 35 -5.656 -8.148 1.473 1.00 63.44 H new ATOM 0 HA LYS A 35 -5.654 -10.687 0.234 1.00 30.14 H new ATOM 0 HB2 LYS A 35 -3.999 -8.163 -0.229 1.00 34.12 H new ATOM 0 HB3 LYS A 35 -3.945 -9.554 -1.293 1.00 34.12 H new ATOM 0 HG2 LYS A 35 -6.420 -7.858 -0.745 1.00 45.13 H new ATOM 0 HG3 LYS A 35 -5.400 -7.731 -2.164 1.00 45.13 H new ATOM 0 HD2 LYS A 35 -5.944 -10.269 -2.541 1.00 32.32 H new ATOM 0 HD3 LYS A 35 -7.230 -10.031 -1.374 1.00 32.32 H new ATOM 0 HE2 LYS A 35 -6.909 -8.478 -3.986 1.00 34.02 H new ATOM 0 HE3 LYS A 35 -8.033 -9.796 -3.725 1.00 34.02 H new ATOM 0 HZ1 LYS A 35 -9.485 -8.421 -2.818 1.00 75.12 H new ATOM 0 HZ2 LYS A 35 -8.344 -7.789 -1.731 1.00 75.12 H new ATOM 0 HZ3 LYS A 35 -8.489 -7.129 -3.289 1.00 75.12 H new ATOM 562 N ASN A 36 -2.884 -9.822 1.850 1.00 25.23 N ATOM 563 CA ASN A 36 -1.576 -10.243 2.388 1.00 43.44 C ATOM 564 C ASN A 36 -1.741 -11.412 3.380 1.00 61.24 C ATOM 565 O ASN A 36 -0.937 -12.345 3.390 1.00 3.11 O ATOM 566 CB ASN A 36 -0.871 -9.025 3.057 1.00 62.44 C ATOM 567 CG ASN A 36 0.566 -9.320 3.506 1.00 11.33 C ATOM 568 OD1 ASN A 36 1.507 -9.202 2.726 1.00 61.11 O ATOM 569 ND2 ASN A 36 0.744 -9.691 4.761 1.00 0.12 N ATOM 0 H ASN A 36 -3.128 -8.862 2.094 1.00 25.23 H new ATOM 0 HA ASN A 36 -0.951 -10.600 1.570 1.00 43.44 H new ATOM 0 HB2 ASN A 36 -0.860 -8.191 2.355 1.00 62.44 H new ATOM 0 HB3 ASN A 36 -1.455 -8.707 3.921 1.00 62.44 H new ATOM 0 HD21 ASN A 36 1.683 -9.888 5.106 1.00 0.12 H new ATOM 0 HD22 ASN A 36 -0.058 -9.780 5.385 1.00 0.12 H new ATOM 576 N LYS A 37 -2.828 -11.354 4.174 1.00 71.10 N ATOM 577 CA LYS A 37 -3.177 -12.405 5.153 1.00 54.02 C ATOM 578 C LYS A 37 -3.636 -13.701 4.453 1.00 61.44 C ATOM 579 O LYS A 37 -3.433 -14.800 4.977 1.00 30.50 O ATOM 580 CB LYS A 37 -4.267 -11.880 6.125 1.00 2.31 C ATOM 581 CG LYS A 37 -3.789 -10.704 6.998 1.00 62.41 C ATOM 582 CD LYS A 37 -4.895 -10.142 7.916 1.00 2.14 C ATOM 583 CE LYS A 37 -4.411 -8.939 8.743 1.00 22.03 C ATOM 584 NZ LYS A 37 -5.464 -8.425 9.662 1.00 24.04 N ATOM 0 H LYS A 37 -3.489 -10.578 4.156 1.00 71.10 H new ATOM 0 HA LYS A 37 -2.283 -12.650 5.726 1.00 54.02 H new ATOM 0 HB2 LYS A 37 -5.137 -11.566 5.549 1.00 2.31 H new ATOM 0 HB3 LYS A 37 -4.591 -12.696 6.772 1.00 2.31 H new ATOM 0 HG2 LYS A 37 -2.949 -11.032 7.610 1.00 62.41 H new ATOM 0 HG3 LYS A 37 -3.421 -9.906 6.353 1.00 62.41 H new ATOM 0 HD2 LYS A 37 -5.750 -9.843 7.310 1.00 2.14 H new ATOM 0 HD3 LYS A 37 -5.240 -10.927 8.589 1.00 2.14 H new ATOM 0 HE2 LYS A 37 -3.535 -9.229 9.323 1.00 22.03 H new ATOM 0 HE3 LYS A 37 -4.098 -8.141 8.070 1.00 22.03 H new ATOM 0 HZ1 LYS A 37 -5.092 -7.615 10.198 1.00 24.04 H new ATOM 0 HZ2 LYS A 37 -6.291 -8.123 9.108 1.00 24.04 H new ATOM 0 HZ3 LYS A 37 -5.746 -9.177 10.323 1.00 24.04 H new ATOM 598 N MET A 38 -4.242 -13.564 3.255 1.00 22.32 N ATOM 599 CA MET A 38 -4.634 -14.721 2.416 1.00 42.12 C ATOM 600 C MET A 38 -3.425 -15.293 1.641 1.00 2.22 C ATOM 601 O MET A 38 -3.564 -16.285 0.919 1.00 4.53 O ATOM 602 CB MET A 38 -5.775 -14.326 1.432 1.00 52.41 C ATOM 603 CG MET A 38 -7.079 -13.904 2.121 1.00 51.14 C ATOM 604 SD MET A 38 -8.466 -13.680 0.979 1.00 31.13 S ATOM 605 CE MET A 38 -7.892 -12.329 -0.048 1.00 74.34 C ATOM 0 H MET A 38 -4.472 -12.660 2.844 1.00 22.32 H new ATOM 0 HA MET A 38 -5.003 -15.501 3.082 1.00 42.12 H new ATOM 0 HB2 MET A 38 -5.429 -13.507 0.801 1.00 52.41 H new ATOM 0 HB3 MET A 38 -5.981 -15.170 0.774 1.00 52.41 H new ATOM 0 HG2 MET A 38 -7.348 -14.657 2.862 1.00 51.14 H new ATOM 0 HG3 MET A 38 -6.910 -12.972 2.660 1.00 51.14 H new ATOM 0 HE1 MET A 38 -8.651 -12.091 -0.793 1.00 74.34 H new ATOM 0 HE2 MET A 38 -7.706 -11.453 0.574 1.00 74.34 H new ATOM 0 HE3 MET A 38 -6.969 -12.620 -0.550 1.00 74.34 H new ATOM 615 N GLY A 39 -2.244 -14.654 1.800 1.00 35.01 N ATOM 616 CA GLY A 39 -1.016 -15.060 1.101 1.00 71.12 C ATOM 617 C GLY A 39 -0.856 -14.386 -0.250 1.00 63.30 C ATOM 618 O GLY A 39 0.173 -14.539 -0.920 1.00 10.11 O ATOM 0 H GLY A 39 -2.121 -13.848 2.413 1.00 35.01 H new ATOM 0 HA2 GLY A 39 -0.154 -14.823 1.724 1.00 71.12 H new ATOM 0 HA3 GLY A 39 -1.022 -16.141 0.964 1.00 71.12 H new ATOM 622 N LYS A 40 -1.884 -13.620 -0.641 1.00 73.12 N ATOM 623 CA LYS A 40 -1.952 -12.923 -1.930 1.00 74.42 C ATOM 624 C LYS A 40 -1.346 -11.519 -1.803 1.00 52.14 C ATOM 625 O LYS A 40 -1.966 -10.504 -2.148 1.00 62.42 O ATOM 626 CB LYS A 40 -3.428 -12.893 -2.408 1.00 11.23 C ATOM 627 CG LYS A 40 -4.048 -14.305 -2.526 1.00 71.51 C ATOM 628 CD LYS A 40 -5.508 -14.304 -3.018 1.00 45.22 C ATOM 629 CE LYS A 40 -6.057 -15.729 -3.202 1.00 61.35 C ATOM 630 NZ LYS A 40 -7.417 -15.733 -3.787 1.00 20.44 N ATOM 0 H LYS A 40 -2.707 -13.466 -0.058 1.00 73.12 H new ATOM 0 HA LYS A 40 -1.365 -13.451 -2.682 1.00 74.42 H new ATOM 0 HB2 LYS A 40 -4.019 -12.299 -1.711 1.00 11.23 H new ATOM 0 HB3 LYS A 40 -3.482 -12.395 -3.376 1.00 11.23 H new ATOM 0 HG2 LYS A 40 -3.444 -14.901 -3.211 1.00 71.51 H new ATOM 0 HG3 LYS A 40 -4.003 -14.794 -1.553 1.00 71.51 H new ATOM 0 HD2 LYS A 40 -6.131 -13.765 -2.304 1.00 45.22 H new ATOM 0 HD3 LYS A 40 -5.571 -13.767 -3.964 1.00 45.22 H new ATOM 0 HE2 LYS A 40 -5.384 -16.295 -3.846 1.00 61.35 H new ATOM 0 HE3 LYS A 40 -6.077 -16.236 -2.237 1.00 61.35 H new ATOM 0 HZ1 LYS A 40 -7.746 -16.714 -3.893 1.00 20.44 H new ATOM 0 HZ2 LYS A 40 -8.066 -15.215 -3.160 1.00 20.44 H new ATOM 0 HZ3 LYS A 40 -7.395 -15.273 -4.719 1.00 20.44 H new ATOM 644 N ALA A 41 -0.087 -11.496 -1.321 1.00 1.13 N ATOM 645 CA ALA A 41 0.666 -10.270 -1.060 1.00 5.21 C ATOM 646 C ALA A 41 1.048 -9.541 -2.360 1.00 42.24 C ATOM 647 O ALA A 41 1.436 -8.372 -2.319 1.00 31.25 O ATOM 648 CB ALA A 41 1.903 -10.584 -0.215 1.00 3.14 C ATOM 0 H ALA A 41 0.435 -12.344 -1.102 1.00 1.13 H new ATOM 0 HA ALA A 41 0.022 -9.592 -0.499 1.00 5.21 H new ATOM 0 HB1 ALA A 41 2.457 -9.665 -0.026 1.00 3.14 H new ATOM 0 HB2 ALA A 41 1.594 -11.023 0.734 1.00 3.14 H new ATOM 0 HB3 ALA A 41 2.540 -11.288 -0.750 1.00 3.14 H new ATOM 654 N ARG A 42 0.952 -10.252 -3.508 1.00 34.33 N ATOM 655 CA ARG A 42 1.185 -9.680 -4.849 1.00 44.10 C ATOM 656 C ARG A 42 0.127 -8.583 -5.107 1.00 52.23 C ATOM 657 O ARG A 42 0.459 -7.443 -5.455 1.00 23.12 O ATOM 658 CB ARG A 42 1.117 -10.820 -5.923 1.00 11.23 C ATOM 659 CG ARG A 42 2.026 -10.651 -7.164 1.00 44.42 C ATOM 660 CD ARG A 42 1.785 -9.360 -7.960 1.00 40.32 C ATOM 661 NE ARG A 42 0.376 -9.209 -8.343 1.00 40.53 N ATOM 662 CZ ARG A 42 -0.162 -8.122 -8.912 1.00 44.54 C ATOM 663 NH1 ARG A 42 0.586 -7.067 -9.190 1.00 43.22 N ATOM 664 NH2 ARG A 42 -1.462 -8.087 -9.164 1.00 62.40 N ATOM 0 H ARG A 42 0.710 -11.243 -3.527 1.00 34.33 H new ATOM 0 HA ARG A 42 2.175 -9.228 -4.912 1.00 44.10 H new ATOM 0 HB2 ARG A 42 1.373 -11.762 -5.438 1.00 11.23 H new ATOM 0 HB3 ARG A 42 0.085 -10.907 -6.264 1.00 11.23 H new ATOM 0 HG2 ARG A 42 3.067 -10.675 -6.842 1.00 44.42 H new ATOM 0 HG3 ARG A 42 1.877 -11.504 -7.826 1.00 44.42 H new ATOM 0 HD2 ARG A 42 2.093 -8.502 -7.362 1.00 40.32 H new ATOM 0 HD3 ARG A 42 2.406 -9.364 -8.856 1.00 40.32 H new ATOM 0 HE ARG A 42 -0.245 -9.997 -8.161 1.00 40.53 H new ATOM 0 HH11 ARG A 42 1.582 -7.076 -8.971 1.00 43.22 H new ATOM 0 HH12 ARG A 42 0.167 -6.244 -9.623 1.00 43.22 H new ATOM 0 HH21 ARG A 42 -2.050 -8.886 -8.925 1.00 62.40 H new ATOM 0 HH22 ARG A 42 -1.875 -7.261 -9.597 1.00 62.40 H new ATOM 678 N GLU A 43 -1.145 -8.963 -4.908 1.00 72.25 N ATOM 679 CA GLU A 43 -2.292 -8.054 -5.034 1.00 2.15 C ATOM 680 C GLU A 43 -2.289 -7.031 -3.892 1.00 2.30 C ATOM 681 O GLU A 43 -2.671 -5.895 -4.101 1.00 30.14 O ATOM 682 CB GLU A 43 -3.636 -8.832 -5.061 1.00 74.02 C ATOM 683 CG GLU A 43 -3.919 -9.591 -6.375 1.00 21.43 C ATOM 684 CD GLU A 43 -2.882 -10.676 -6.715 1.00 22.20 C ATOM 685 OE1 GLU A 43 -2.709 -11.616 -5.907 1.00 4.35 O ATOM 686 OE2 GLU A 43 -2.248 -10.613 -7.793 1.00 33.34 O ATOM 0 H GLU A 43 -1.407 -9.916 -4.654 1.00 72.25 H new ATOM 0 HA GLU A 43 -2.196 -7.526 -5.983 1.00 2.15 H new ATOM 0 HB2 GLU A 43 -3.643 -9.546 -4.237 1.00 74.02 H new ATOM 0 HB3 GLU A 43 -4.450 -8.130 -4.881 1.00 74.02 H new ATOM 0 HG2 GLU A 43 -4.904 -10.054 -6.309 1.00 21.43 H new ATOM 0 HG3 GLU A 43 -3.959 -8.873 -7.194 1.00 21.43 H new ATOM 693 N ALA A 44 -1.847 -7.452 -2.691 1.00 5.55 N ATOM 694 CA ALA A 44 -1.712 -6.552 -1.526 1.00 25.24 C ATOM 695 C ALA A 44 -0.793 -5.368 -1.849 1.00 4.31 C ATOM 696 O ALA A 44 -1.107 -4.228 -1.514 1.00 64.03 O ATOM 697 CB ALA A 44 -1.185 -7.320 -0.314 1.00 32.50 C ATOM 0 H ALA A 44 -1.575 -8.417 -2.500 1.00 5.55 H new ATOM 0 HA ALA A 44 -2.700 -6.159 -1.287 1.00 25.24 H new ATOM 0 HB1 ALA A 44 -1.092 -6.642 0.534 1.00 32.50 H new ATOM 0 HB2 ALA A 44 -1.878 -8.123 -0.062 1.00 32.50 H new ATOM 0 HB3 ALA A 44 -0.209 -7.744 -0.548 1.00 32.50 H new ATOM 703 N ALA A 45 0.310 -5.671 -2.550 1.00 60.51 N ATOM 704 CA ALA A 45 1.309 -4.679 -2.967 1.00 53.13 C ATOM 705 C ALA A 45 0.716 -3.652 -3.945 1.00 22.21 C ATOM 706 O ALA A 45 1.168 -2.508 -3.976 1.00 21.24 O ATOM 707 CB ALA A 45 2.522 -5.383 -3.575 1.00 74.21 C ATOM 0 H ALA A 45 0.534 -6.621 -2.846 1.00 60.51 H new ATOM 0 HA ALA A 45 1.630 -4.128 -2.083 1.00 53.13 H new ATOM 0 HB1 ALA A 45 3.258 -4.640 -3.882 1.00 74.21 H new ATOM 0 HB2 ALA A 45 2.965 -6.049 -2.835 1.00 74.21 H new ATOM 0 HB3 ALA A 45 2.209 -5.963 -4.443 1.00 74.21 H new ATOM 713 N GLU A 46 -0.290 -4.082 -4.742 1.00 33.33 N ATOM 714 CA GLU A 46 -1.083 -3.173 -5.591 1.00 15.22 C ATOM 715 C GLU A 46 -1.794 -2.122 -4.720 1.00 31.33 C ATOM 716 O GLU A 46 -1.654 -0.935 -4.949 1.00 51.53 O ATOM 717 CB GLU A 46 -2.149 -3.955 -6.408 1.00 12.23 C ATOM 718 CG GLU A 46 -1.601 -4.949 -7.452 1.00 35.32 C ATOM 719 CD GLU A 46 -0.937 -4.252 -8.649 1.00 52.22 C ATOM 720 OE1 GLU A 46 -1.661 -3.641 -9.463 1.00 52.43 O ATOM 721 OE2 GLU A 46 0.293 -4.296 -8.787 1.00 35.12 O ATOM 0 H GLU A 46 -0.570 -5.060 -4.812 1.00 33.33 H new ATOM 0 HA GLU A 46 -0.398 -2.683 -6.282 1.00 15.22 H new ATOM 0 HB2 GLU A 46 -2.783 -4.503 -5.711 1.00 12.23 H new ATOM 0 HB3 GLU A 46 -2.787 -3.235 -6.920 1.00 12.23 H new ATOM 0 HG2 GLU A 46 -0.876 -5.608 -6.974 1.00 35.32 H new ATOM 0 HG3 GLU A 46 -2.416 -5.578 -7.810 1.00 35.32 H new ATOM 728 N TYR A 47 -2.532 -2.601 -3.701 1.00 32.42 N ATOM 729 CA TYR A 47 -3.352 -1.747 -2.817 1.00 13.13 C ATOM 730 C TYR A 47 -2.485 -0.800 -1.973 1.00 61.45 C ATOM 731 O TYR A 47 -2.885 0.332 -1.730 1.00 1.21 O ATOM 732 CB TYR A 47 -4.230 -2.610 -1.893 1.00 34.20 C ATOM 733 CG TYR A 47 -5.251 -3.468 -2.639 1.00 44.34 C ATOM 734 CD1 TYR A 47 -6.414 -2.915 -3.158 1.00 63.22 C ATOM 735 CD2 TYR A 47 -5.045 -4.825 -2.830 1.00 4.24 C ATOM 736 CE1 TYR A 47 -7.333 -3.691 -3.833 1.00 50.24 C ATOM 737 CE2 TYR A 47 -5.947 -5.599 -3.506 1.00 42.51 C ATOM 738 CZ TYR A 47 -7.087 -5.036 -4.005 1.00 53.12 C ATOM 739 OH TYR A 47 -7.999 -5.829 -4.660 1.00 3.20 O ATOM 0 H TYR A 47 -2.577 -3.593 -3.466 1.00 32.42 H new ATOM 0 HA TYR A 47 -3.990 -1.139 -3.458 1.00 13.13 H new ATOM 0 HB2 TYR A 47 -3.587 -3.260 -1.299 1.00 34.20 H new ATOM 0 HB3 TYR A 47 -4.757 -1.959 -1.195 1.00 34.20 H new ATOM 0 HD1 TYR A 47 -6.602 -1.859 -3.031 1.00 63.22 H new ATOM 0 HD2 TYR A 47 -4.150 -5.283 -2.435 1.00 4.24 H new ATOM 0 HE1 TYR A 47 -8.238 -3.248 -4.223 1.00 50.24 H new ATOM 0 HE2 TYR A 47 -5.758 -6.653 -3.645 1.00 42.51 H new ATOM 0 HH TYR A 47 -7.533 -6.573 -5.096 1.00 3.20 H new ATOM 749 N PHE A 48 -1.307 -1.285 -1.537 1.00 62.01 N ATOM 750 CA PHE A 48 -0.356 -0.486 -0.735 1.00 53.31 C ATOM 751 C PHE A 48 0.333 0.574 -1.605 1.00 22.24 C ATOM 752 O PHE A 48 0.656 1.657 -1.119 1.00 32.13 O ATOM 753 CB PHE A 48 0.710 -1.390 -0.060 1.00 65.43 C ATOM 754 CG PHE A 48 0.147 -2.432 0.913 1.00 32.03 C ATOM 755 CD1 PHE A 48 -0.922 -2.124 1.761 1.00 72.45 C ATOM 756 CD2 PHE A 48 0.691 -3.712 0.987 1.00 25.05 C ATOM 757 CE1 PHE A 48 -1.423 -3.062 2.638 1.00 54.43 C ATOM 758 CE2 PHE A 48 0.188 -4.650 1.866 1.00 35.41 C ATOM 759 CZ PHE A 48 -0.869 -4.327 2.690 1.00 73.03 C ATOM 0 H PHE A 48 -0.988 -2.235 -1.728 1.00 62.01 H new ATOM 0 HA PHE A 48 -0.927 0.015 0.047 1.00 53.31 H new ATOM 0 HB2 PHE A 48 1.273 -1.906 -0.838 1.00 65.43 H new ATOM 0 HB3 PHE A 48 1.416 -0.756 0.477 1.00 65.43 H new ATOM 0 HD1 PHE A 48 -1.361 -1.138 1.728 1.00 72.45 H new ATOM 0 HD2 PHE A 48 1.520 -3.975 0.346 1.00 25.05 H new ATOM 0 HE1 PHE A 48 -2.249 -2.808 3.285 1.00 54.43 H new ATOM 0 HE2 PHE A 48 0.623 -5.638 1.908 1.00 35.41 H new ATOM 0 HZ PHE A 48 -1.264 -5.062 3.376 1.00 73.03 H new ATOM 769 N PHE A 49 0.542 0.245 -2.895 1.00 2.44 N ATOM 770 CA PHE A 49 1.151 1.164 -3.867 1.00 55.53 C ATOM 771 C PHE A 49 0.175 2.287 -4.227 1.00 22.31 C ATOM 772 O PHE A 49 0.530 3.460 -4.167 1.00 54.11 O ATOM 773 CB PHE A 49 1.598 0.407 -5.148 1.00 0.21 C ATOM 774 CG PHE A 49 2.269 1.300 -6.185 1.00 0.13 C ATOM 775 CD1 PHE A 49 3.414 2.011 -5.850 1.00 34.33 C ATOM 776 CD2 PHE A 49 1.758 1.457 -7.477 1.00 2.23 C ATOM 777 CE1 PHE A 49 4.027 2.824 -6.761 1.00 61.22 C ATOM 778 CE2 PHE A 49 2.385 2.283 -8.393 1.00 32.11 C ATOM 779 CZ PHE A 49 3.521 2.971 -8.031 1.00 13.45 C ATOM 0 H PHE A 49 0.293 -0.663 -3.288 1.00 2.44 H new ATOM 0 HA PHE A 49 2.036 1.603 -3.406 1.00 55.53 H new ATOM 0 HB2 PHE A 49 2.287 -0.389 -4.867 1.00 0.21 H new ATOM 0 HB3 PHE A 49 0.728 -0.069 -5.600 1.00 0.21 H new ATOM 0 HD1 PHE A 49 3.826 1.920 -4.856 1.00 34.33 H new ATOM 0 HD2 PHE A 49 0.862 0.927 -7.764 1.00 2.23 H new ATOM 0 HE1 PHE A 49 4.922 3.359 -6.480 1.00 61.22 H new ATOM 0 HE2 PHE A 49 1.984 2.388 -9.390 1.00 32.11 H new ATOM 0 HZ PHE A 49 4.011 3.622 -8.740 1.00 13.45 H new ATOM 789 N ARG A 50 -1.055 1.892 -4.589 1.00 24.34 N ATOM 790 CA ARG A 50 -2.119 2.819 -4.995 1.00 73.22 C ATOM 791 C ARG A 50 -2.515 3.731 -3.824 1.00 55.22 C ATOM 792 O ARG A 50 -2.790 4.915 -4.023 1.00 24.32 O ATOM 793 CB ARG A 50 -3.349 2.035 -5.502 1.00 34.10 C ATOM 794 CG ARG A 50 -3.107 1.173 -6.763 1.00 74.23 C ATOM 795 CD ARG A 50 -4.397 0.490 -7.243 1.00 70.43 C ATOM 796 NE ARG A 50 -5.447 1.473 -7.553 1.00 75.13 N ATOM 797 CZ ARG A 50 -6.769 1.226 -7.585 1.00 1.33 C ATOM 798 NH1 ARG A 50 -7.262 0.011 -7.325 1.00 62.21 N ATOM 799 NH2 ARG A 50 -7.594 2.220 -7.836 1.00 53.30 N ATOM 0 H ARG A 50 -1.340 0.913 -4.608 1.00 24.34 H new ATOM 0 HA ARG A 50 -1.742 3.442 -5.806 1.00 73.22 H new ATOM 0 HB2 ARG A 50 -3.702 1.386 -4.700 1.00 34.10 H new ATOM 0 HB3 ARG A 50 -4.149 2.744 -5.714 1.00 34.10 H new ATOM 0 HG2 ARG A 50 -2.709 1.800 -7.561 1.00 74.23 H new ATOM 0 HG3 ARG A 50 -2.354 0.416 -6.547 1.00 74.23 H new ATOM 0 HD2 ARG A 50 -4.185 -0.108 -8.129 1.00 70.43 H new ATOM 0 HD3 ARG A 50 -4.755 -0.195 -6.474 1.00 70.43 H new ATOM 0 HE ARG A 50 -5.146 2.425 -7.762 1.00 75.13 H new ATOM 0 HH11 ARG A 50 -6.631 -0.757 -7.095 1.00 62.21 H new ATOM 0 HH12 ARG A 50 -8.269 -0.148 -7.356 1.00 62.21 H new ATOM 0 HH21 ARG A 50 -7.228 3.157 -8.002 1.00 53.30 H new ATOM 0 HH22 ARG A 50 -8.600 2.053 -7.865 1.00 53.30 H new ATOM 813 N ALA A 51 -2.515 3.155 -2.603 1.00 21.55 N ATOM 814 CA ALA A 51 -2.733 3.912 -1.367 1.00 15.42 C ATOM 815 C ALA A 51 -1.607 4.933 -1.183 1.00 75.02 C ATOM 816 O ALA A 51 -1.880 6.098 -0.921 1.00 21.42 O ATOM 817 CB ALA A 51 -2.824 2.975 -0.159 1.00 20.34 C ATOM 0 H ALA A 51 -2.364 2.157 -2.454 1.00 21.55 H new ATOM 0 HA ALA A 51 -3.682 4.443 -1.443 1.00 15.42 H new ATOM 0 HB1 ALA A 51 -2.986 3.562 0.745 1.00 20.34 H new ATOM 0 HB2 ALA A 51 -3.655 2.284 -0.297 1.00 20.34 H new ATOM 0 HB3 ALA A 51 -1.896 2.412 -0.065 1.00 20.34 H new ATOM 823 N ALA A 52 -0.347 4.479 -1.373 1.00 65.42 N ATOM 824 CA ALA A 52 0.848 5.330 -1.217 1.00 21.54 C ATOM 825 C ALA A 52 0.829 6.519 -2.203 1.00 25.01 C ATOM 826 O ALA A 52 1.275 7.607 -1.852 1.00 64.32 O ATOM 827 CB ALA A 52 2.133 4.503 -1.386 1.00 4.54 C ATOM 0 H ALA A 52 -0.134 3.517 -1.637 1.00 65.42 H new ATOM 0 HA ALA A 52 0.832 5.738 -0.206 1.00 21.54 H new ATOM 0 HB1 ALA A 52 3.001 5.151 -1.267 1.00 4.54 H new ATOM 0 HB2 ALA A 52 2.161 3.716 -0.632 1.00 4.54 H new ATOM 0 HB3 ALA A 52 2.149 4.054 -2.379 1.00 4.54 H new ATOM 833 N ILE A 53 0.286 6.291 -3.424 1.00 63.52 N ATOM 834 CA ILE A 53 0.074 7.357 -4.429 1.00 0.03 C ATOM 835 C ILE A 53 -0.875 8.429 -3.854 1.00 51.12 C ATOM 836 O ILE A 53 -0.558 9.611 -3.855 1.00 4.44 O ATOM 837 CB ILE A 53 -0.525 6.799 -5.787 1.00 3.12 C ATOM 838 CG1 ILE A 53 0.421 5.741 -6.433 1.00 13.40 C ATOM 839 CG2 ILE A 53 -0.810 7.951 -6.783 1.00 34.20 C ATOM 840 CD1 ILE A 53 -0.089 5.115 -7.723 1.00 13.21 C ATOM 0 H ILE A 53 -0.015 5.368 -3.737 1.00 63.52 H new ATOM 0 HA ILE A 53 1.049 7.790 -4.653 1.00 0.03 H new ATOM 0 HB ILE A 53 -1.469 6.307 -5.550 1.00 3.12 H new ATOM 0 HG12 ILE A 53 1.383 6.212 -6.633 1.00 13.40 H new ATOM 0 HG13 ILE A 53 0.599 4.946 -5.708 1.00 13.40 H new ATOM 0 HG21 ILE A 53 -1.220 7.541 -7.706 1.00 34.20 H new ATOM 0 HG22 ILE A 53 -1.528 8.643 -6.343 1.00 34.20 H new ATOM 0 HG23 ILE A 53 0.117 8.481 -7.002 1.00 34.20 H new ATOM 0 HD11 ILE A 53 0.641 4.394 -8.091 1.00 13.21 H new ATOM 0 HD12 ILE A 53 -1.035 4.608 -7.532 1.00 13.21 H new ATOM 0 HD13 ILE A 53 -0.239 5.894 -8.471 1.00 13.21 H new ATOM 852 N VAL A 54 -2.013 7.966 -3.322 1.00 40.05 N ATOM 853 CA VAL A 54 -3.073 8.825 -2.768 1.00 4.13 C ATOM 854 C VAL A 54 -2.560 9.661 -1.561 1.00 5.03 C ATOM 855 O VAL A 54 -2.815 10.869 -1.486 1.00 23.42 O ATOM 856 CB VAL A 54 -4.313 7.947 -2.363 1.00 51.23 C ATOM 857 CG1 VAL A 54 -5.376 8.776 -1.627 1.00 5.01 C ATOM 858 CG2 VAL A 54 -4.930 7.254 -3.605 1.00 31.42 C ATOM 0 H VAL A 54 -2.229 6.971 -3.262 1.00 40.05 H new ATOM 0 HA VAL A 54 -3.379 9.533 -3.538 1.00 4.13 H new ATOM 0 HB VAL A 54 -3.957 7.177 -1.678 1.00 51.23 H new ATOM 0 HG11 VAL A 54 -6.218 8.136 -1.363 1.00 5.01 H new ATOM 0 HG12 VAL A 54 -4.944 9.200 -0.720 1.00 5.01 H new ATOM 0 HG13 VAL A 54 -5.722 9.582 -2.275 1.00 5.01 H new ATOM 0 HG21 VAL A 54 -5.786 6.653 -3.298 1.00 31.42 H new ATOM 0 HG22 VAL A 54 -5.255 8.010 -4.320 1.00 31.42 H new ATOM 0 HG23 VAL A 54 -4.183 6.611 -4.071 1.00 31.42 H new ATOM 868 N PHE A 55 -1.809 9.002 -0.654 1.00 0.00 N ATOM 869 CA PHE A 55 -1.216 9.653 0.538 1.00 31.14 C ATOM 870 C PHE A 55 -0.126 10.661 0.137 1.00 55.21 C ATOM 871 O PHE A 55 0.090 11.647 0.833 1.00 71.31 O ATOM 872 CB PHE A 55 -0.617 8.604 1.507 1.00 30.04 C ATOM 873 CG PHE A 55 -1.643 7.705 2.203 1.00 72.23 C ATOM 874 CD1 PHE A 55 -2.624 8.251 3.030 1.00 13.41 C ATOM 875 CD2 PHE A 55 -1.600 6.317 2.071 1.00 44.54 C ATOM 876 CE1 PHE A 55 -3.524 7.439 3.689 1.00 40.50 C ATOM 877 CE2 PHE A 55 -2.503 5.507 2.725 1.00 14.12 C ATOM 878 CZ PHE A 55 -3.461 6.066 3.537 1.00 41.34 C ATOM 0 H PHE A 55 -1.596 8.007 -0.725 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.020 10.186 1.046 1.00 31.14 H new ATOM 0 HB2 PHE A 55 0.078 7.974 0.952 1.00 30.04 H new ATOM 0 HB3 PHE A 55 -0.037 9.125 2.269 1.00 30.04 H new ATOM 0 HD1 PHE A 55 -2.680 9.322 3.156 1.00 13.41 H new ATOM 0 HD2 PHE A 55 -0.844 5.868 1.444 1.00 44.54 H new ATOM 0 HE1 PHE A 55 -4.279 7.877 4.325 1.00 40.50 H new ATOM 0 HE2 PHE A 55 -2.458 4.435 2.600 1.00 14.12 H new ATOM 0 HZ PHE A 55 -4.165 5.433 4.056 1.00 41.34 H new ATOM 888 N TYR A 56 0.550 10.376 -0.982 1.00 12.44 N ATOM 889 CA TYR A 56 1.577 11.254 -1.559 1.00 63.31 C ATOM 890 C TYR A 56 0.947 12.536 -2.136 1.00 74.20 C ATOM 891 O TYR A 56 1.501 13.629 -1.976 1.00 14.25 O ATOM 892 CB TYR A 56 2.362 10.475 -2.645 1.00 4.14 C ATOM 893 CG TYR A 56 3.325 11.328 -3.476 1.00 23.10 C ATOM 894 CD1 TYR A 56 4.393 11.994 -2.871 1.00 32.31 C ATOM 895 CD2 TYR A 56 3.142 11.494 -4.848 1.00 34.35 C ATOM 896 CE1 TYR A 56 5.253 12.767 -3.607 1.00 53.33 C ATOM 897 CE2 TYR A 56 3.995 12.271 -5.585 1.00 65.24 C ATOM 898 CZ TYR A 56 5.048 12.914 -4.965 1.00 3.50 C ATOM 899 OH TYR A 56 5.900 13.698 -5.713 1.00 64.40 O ATOM 0 H TYR A 56 0.399 9.522 -1.518 1.00 12.44 H new ATOM 0 HA TYR A 56 2.268 11.562 -0.775 1.00 63.31 H new ATOM 0 HB2 TYR A 56 2.928 9.678 -2.163 1.00 4.14 H new ATOM 0 HB3 TYR A 56 1.649 9.998 -3.317 1.00 4.14 H new ATOM 0 HD1 TYR A 56 4.544 11.898 -1.806 1.00 32.31 H new ATOM 0 HD2 TYR A 56 2.314 11.002 -5.337 1.00 34.35 H new ATOM 0 HE1 TYR A 56 6.087 13.259 -3.128 1.00 53.33 H new ATOM 0 HE2 TYR A 56 3.845 12.381 -6.649 1.00 65.24 H new ATOM 0 HH TYR A 56 5.613 13.692 -6.650 1.00 64.40 H new ATOM 909 N LYS A 57 -0.195 12.380 -2.822 1.00 55.31 N ATOM 910 CA LYS A 57 -1.012 13.513 -3.309 1.00 35.34 C ATOM 911 C LYS A 57 -1.491 14.394 -2.144 1.00 22.33 C ATOM 912 O LYS A 57 -1.584 15.617 -2.281 1.00 23.24 O ATOM 913 CB LYS A 57 -2.229 13.010 -4.147 1.00 71.34 C ATOM 914 CG LYS A 57 -1.939 12.859 -5.654 1.00 43.01 C ATOM 915 CD LYS A 57 -0.824 11.836 -5.973 1.00 52.41 C ATOM 916 CE LYS A 57 -0.546 11.691 -7.476 1.00 12.14 C ATOM 917 NZ LYS A 57 -1.725 11.201 -8.234 1.00 21.20 N ATOM 0 H LYS A 57 -0.582 11.466 -3.057 1.00 55.31 H new ATOM 0 HA LYS A 57 -0.378 14.119 -3.956 1.00 35.34 H new ATOM 0 HB2 LYS A 57 -2.554 12.047 -3.753 1.00 71.34 H new ATOM 0 HB3 LYS A 57 -3.058 13.705 -4.016 1.00 71.34 H new ATOM 0 HG2 LYS A 57 -2.854 12.556 -6.163 1.00 43.01 H new ATOM 0 HG3 LYS A 57 -1.656 13.830 -6.060 1.00 43.01 H new ATOM 0 HD2 LYS A 57 0.093 12.139 -5.468 1.00 52.41 H new ATOM 0 HD3 LYS A 57 -1.105 10.864 -5.567 1.00 52.41 H new ATOM 0 HE2 LYS A 57 -0.236 12.655 -7.878 1.00 12.14 H new ATOM 0 HE3 LYS A 57 0.286 11.002 -7.622 1.00 12.14 H new ATOM 0 HZ1 LYS A 57 -1.458 11.041 -9.226 1.00 21.20 H new ATOM 0 HZ2 LYS A 57 -2.059 10.309 -7.817 1.00 21.20 H new ATOM 0 HZ3 LYS A 57 -2.485 11.910 -8.190 1.00 21.20 H new ATOM 931 N GLU A 58 -1.799 13.756 -1.008 1.00 61.21 N ATOM 932 CA GLU A 58 -2.196 14.462 0.226 1.00 10.34 C ATOM 933 C GLU A 58 -0.982 14.904 1.051 1.00 1.21 C ATOM 934 O GLU A 58 -1.135 15.650 2.021 1.00 62.02 O ATOM 935 CB GLU A 58 -3.140 13.573 1.076 1.00 3.42 C ATOM 936 CG GLU A 58 -4.465 13.252 0.377 1.00 53.13 C ATOM 937 CD GLU A 58 -5.344 14.494 0.085 1.00 31.42 C ATOM 938 OE1 GLU A 58 -5.220 15.102 -1.003 1.00 63.31 O ATOM 939 OE2 GLU A 58 -6.187 14.853 0.940 1.00 52.11 O ATOM 0 H GLU A 58 -1.782 12.741 -0.914 1.00 61.21 H new ATOM 0 HA GLU A 58 -2.731 15.365 -0.070 1.00 10.34 H new ATOM 0 HB2 GLU A 58 -2.630 12.641 1.317 1.00 3.42 H new ATOM 0 HB3 GLU A 58 -3.348 14.076 2.020 1.00 3.42 H new ATOM 0 HG2 GLU A 58 -4.253 12.741 -0.562 1.00 53.13 H new ATOM 0 HG3 GLU A 58 -5.031 12.557 0.997 1.00 53.13 H new ATOM 946 N HIS A 59 0.208 14.399 0.674 1.00 43.31 N ATOM 947 CA HIS A 59 1.495 14.727 1.322 1.00 51.42 C ATOM 948 C HIS A 59 1.515 14.325 2.812 1.00 44.10 C ATOM 949 O HIS A 59 2.283 14.868 3.608 1.00 51.33 O ATOM 950 CB HIS A 59 1.863 16.228 1.094 1.00 2.35 C ATOM 951 CG HIS A 59 2.205 16.537 -0.344 1.00 5.22 C ATOM 952 ND1 HIS A 59 3.495 16.548 -0.809 1.00 72.14 N ATOM 953 CD2 HIS A 59 1.422 16.780 -1.418 1.00 41.45 C ATOM 954 CE1 HIS A 59 3.495 16.795 -2.099 1.00 73.14 C ATOM 955 NE2 HIS A 59 2.248 16.935 -2.497 1.00 64.21 N ATOM 0 H HIS A 59 0.305 13.742 -0.100 1.00 43.31 H new ATOM 0 HA HIS A 59 2.272 14.129 0.846 1.00 51.42 H new ATOM 0 HB2 HIS A 59 1.026 16.853 1.406 1.00 2.35 H new ATOM 0 HB3 HIS A 59 2.710 16.490 1.728 1.00 2.35 H new ATOM 0 HD2 HIS A 59 0.344 16.841 -1.423 1.00 41.45 H new ATOM 0 HE1 HIS A 59 4.370 16.871 -2.727 1.00 73.14 H new ATOM 0 HE2 HIS A 59 1.947 17.127 -3.453 1.00 64.21 H new ATOM 964 N ASP A 60 0.689 13.326 3.150 1.00 1.00 N ATOM 965 CA ASP A 60 0.605 12.746 4.490 1.00 63.41 C ATOM 966 C ASP A 60 1.747 11.739 4.652 1.00 31.21 C ATOM 967 O ASP A 60 1.668 10.628 4.126 1.00 11.32 O ATOM 968 CB ASP A 60 -0.788 12.072 4.676 1.00 72.14 C ATOM 969 CG ASP A 60 -0.935 11.223 5.958 1.00 21.20 C ATOM 970 OD1 ASP A 60 -0.394 11.603 7.026 1.00 40.53 O ATOM 971 OD2 ASP A 60 -1.611 10.170 5.911 1.00 31.41 O ATOM 0 H ASP A 60 0.049 12.892 2.484 1.00 1.00 H new ATOM 0 HA ASP A 60 0.705 13.515 5.256 1.00 63.41 H new ATOM 0 HB2 ASP A 60 -1.553 12.849 4.683 1.00 72.14 H new ATOM 0 HB3 ASP A 60 -0.986 11.437 3.813 1.00 72.14 H new ATOM 976 N THR A 61 2.810 12.175 5.348 1.00 64.51 N ATOM 977 CA THR A 61 4.035 11.383 5.582 1.00 45.44 C ATOM 978 C THR A 61 3.742 10.079 6.335 1.00 2.41 C ATOM 979 O THR A 61 4.379 9.060 6.080 1.00 74.11 O ATOM 980 CB THR A 61 5.095 12.207 6.398 1.00 53.40 C ATOM 981 OG1 THR A 61 4.464 12.828 7.530 1.00 45.42 O ATOM 982 CG2 THR A 61 5.787 13.282 5.546 1.00 33.03 C ATOM 0 H THR A 61 2.846 13.102 5.772 1.00 64.51 H new ATOM 0 HA THR A 61 4.434 11.140 4.597 1.00 45.44 H new ATOM 0 HB THR A 61 5.861 11.506 6.729 1.00 53.40 H new ATOM 0 HG1 THR A 61 5.130 13.339 8.036 1.00 45.42 H new ATOM 0 HG21 THR A 61 6.509 13.822 6.158 1.00 33.03 H new ATOM 0 HG22 THR A 61 6.302 12.808 4.710 1.00 33.03 H new ATOM 0 HG23 THR A 61 5.041 13.980 5.165 1.00 33.03 H new ATOM 990 N ASP A 62 2.777 10.142 7.264 1.00 34.41 N ATOM 991 CA ASP A 62 2.430 9.020 8.149 1.00 22.23 C ATOM 992 C ASP A 62 1.773 7.890 7.358 1.00 74.41 C ATOM 993 O ASP A 62 2.202 6.741 7.457 1.00 32.33 O ATOM 994 CB ASP A 62 1.499 9.507 9.287 1.00 55.22 C ATOM 995 CG ASP A 62 2.183 10.551 10.188 1.00 11.01 C ATOM 996 OD1 ASP A 62 2.088 11.765 9.892 1.00 3.02 O ATOM 997 OD2 ASP A 62 2.835 10.150 11.176 1.00 35.14 O ATOM 0 H ASP A 62 2.213 10.977 7.423 1.00 34.41 H new ATOM 0 HA ASP A 62 3.346 8.631 8.593 1.00 22.23 H new ATOM 0 HB2 ASP A 62 0.595 9.937 8.856 1.00 55.22 H new ATOM 0 HB3 ASP A 62 1.189 8.654 9.891 1.00 55.22 H new ATOM 1002 N GLY A 63 0.744 8.239 6.562 1.00 4.35 N ATOM 1003 CA GLY A 63 0.034 7.264 5.733 1.00 51.42 C ATOM 1004 C GLY A 63 0.863 6.761 4.560 1.00 74.45 C ATOM 1005 O GLY A 63 0.767 5.585 4.188 1.00 31.21 O ATOM 0 H GLY A 63 0.390 9.192 6.480 1.00 4.35 H new ATOM 0 HA2 GLY A 63 -0.261 6.416 6.352 1.00 51.42 H new ATOM 0 HA3 GLY A 63 -0.883 7.717 5.355 1.00 51.42 H new ATOM 1009 N LEU A 64 1.663 7.669 3.977 1.00 60.44 N ATOM 1010 CA LEU A 64 2.591 7.356 2.874 1.00 4.23 C ATOM 1011 C LEU A 64 3.611 6.310 3.328 1.00 65.11 C ATOM 1012 O LEU A 64 3.829 5.328 2.636 1.00 73.54 O ATOM 1013 CB LEU A 64 3.314 8.648 2.399 1.00 64.11 C ATOM 1014 CG LEU A 64 4.420 8.492 1.300 1.00 51.51 C ATOM 1015 CD1 LEU A 64 3.855 7.941 -0.023 1.00 54.42 C ATOM 1016 CD2 LEU A 64 5.137 9.830 1.064 1.00 41.32 C ATOM 0 H LEU A 64 1.685 8.649 4.259 1.00 60.44 H new ATOM 0 HA LEU A 64 2.022 6.949 2.038 1.00 4.23 H new ATOM 0 HB2 LEU A 64 2.559 9.337 2.022 1.00 64.11 H new ATOM 0 HB3 LEU A 64 3.769 9.119 3.270 1.00 64.11 H new ATOM 0 HG LEU A 64 5.141 7.763 1.670 1.00 51.51 H new ATOM 0 HD11 LEU A 64 4.660 7.851 -0.753 1.00 54.42 H new ATOM 0 HD12 LEU A 64 3.411 6.961 0.151 1.00 54.42 H new ATOM 0 HD13 LEU A 64 3.094 8.621 -0.405 1.00 54.42 H new ATOM 0 HD21 LEU A 64 5.902 9.703 0.298 1.00 41.32 H new ATOM 0 HD22 LEU A 64 4.414 10.577 0.735 1.00 41.32 H new ATOM 0 HD23 LEU A 64 5.604 10.161 1.991 1.00 41.32 H new ATOM 1028 N ARG A 65 4.190 6.546 4.518 1.00 24.34 N ATOM 1029 CA ARG A 65 5.196 5.656 5.131 1.00 64.52 C ATOM 1030 C ARG A 65 4.547 4.357 5.630 1.00 0.14 C ATOM 1031 O ARG A 65 5.204 3.330 5.696 1.00 11.10 O ATOM 1032 CB ARG A 65 5.905 6.386 6.299 1.00 73.45 C ATOM 1033 CG ARG A 65 7.038 5.585 6.981 1.00 41.40 C ATOM 1034 CD ARG A 65 7.719 6.379 8.107 1.00 53.55 C ATOM 1035 NE ARG A 65 6.787 6.757 9.180 1.00 25.02 N ATOM 1036 CZ ARG A 65 7.132 7.435 10.285 1.00 53.30 C ATOM 1037 NH1 ARG A 65 8.390 7.832 10.498 1.00 1.11 N ATOM 1038 NH2 ARG A 65 6.204 7.715 11.183 1.00 43.55 N ATOM 0 H ARG A 65 3.973 7.365 5.087 1.00 24.34 H new ATOM 0 HA ARG A 65 5.934 5.396 4.373 1.00 64.52 H new ATOM 0 HB2 ARG A 65 6.318 7.323 5.924 1.00 73.45 H new ATOM 0 HB3 ARG A 65 5.160 6.644 7.051 1.00 73.45 H new ATOM 0 HG2 ARG A 65 6.631 4.659 7.387 1.00 41.40 H new ATOM 0 HG3 ARG A 65 7.782 5.306 6.235 1.00 41.40 H new ATOM 0 HD2 ARG A 65 8.528 5.783 8.528 1.00 53.55 H new ATOM 0 HD3 ARG A 65 8.170 7.279 7.690 1.00 53.55 H new ATOM 0 HE ARG A 65 5.810 6.484 9.077 1.00 25.02 H new ATOM 0 HH11 ARG A 65 9.115 7.621 9.812 1.00 1.11 H new ATOM 0 HH12 ARG A 65 8.626 8.346 11.347 1.00 1.11 H new ATOM 0 HH21 ARG A 65 5.241 7.416 11.031 1.00 43.55 H new ATOM 0 HH22 ARG A 65 6.451 8.230 12.028 1.00 43.55 H new ATOM 1052 N ARG A 66 3.257 4.437 6.008 1.00 41.22 N ATOM 1053 CA ARG A 66 2.481 3.271 6.468 1.00 54.14 C ATOM 1054 C ARG A 66 2.287 2.278 5.314 1.00 15.25 C ATOM 1055 O ARG A 66 2.552 1.078 5.456 1.00 42.34 O ATOM 1056 CB ARG A 66 1.108 3.731 7.030 1.00 74.23 C ATOM 1057 CG ARG A 66 0.236 2.624 7.670 1.00 53.55 C ATOM 1058 CD ARG A 66 0.735 2.159 9.058 1.00 61.23 C ATOM 1059 NE ARG A 66 2.052 1.499 9.048 1.00 4.15 N ATOM 1060 CZ ARG A 66 2.293 0.226 8.663 1.00 24.25 C ATOM 1061 NH1 ARG A 66 1.317 -0.559 8.233 1.00 72.02 N ATOM 1062 NH2 ARG A 66 3.515 -0.253 8.739 1.00 51.25 N ATOM 0 H ARG A 66 2.726 5.308 6.003 1.00 41.22 H new ATOM 0 HA ARG A 66 3.031 2.771 7.266 1.00 54.14 H new ATOM 0 HB2 ARG A 66 1.284 4.506 7.776 1.00 74.23 H new ATOM 0 HB3 ARG A 66 0.541 4.191 6.220 1.00 74.23 H new ATOM 0 HG2 ARG A 66 -0.786 2.990 7.766 1.00 53.55 H new ATOM 0 HG3 ARG A 66 0.206 1.765 6.999 1.00 53.55 H new ATOM 0 HD2 ARG A 66 0.782 3.023 9.721 1.00 61.23 H new ATOM 0 HD3 ARG A 66 0.002 1.472 9.481 1.00 61.23 H new ATOM 0 HE ARG A 66 2.852 2.051 9.359 1.00 4.15 H new ATOM 0 HH11 ARG A 66 0.361 -0.206 8.187 1.00 72.02 H new ATOM 0 HH12 ARG A 66 1.521 -1.517 7.947 1.00 72.02 H new ATOM 0 HH21 ARG A 66 4.273 0.335 9.086 1.00 51.25 H new ATOM 0 HH22 ARG A 66 3.705 -1.213 8.451 1.00 51.25 H new ATOM 1076 N ALA A 67 1.837 2.813 4.174 1.00 51.13 N ATOM 1077 CA ALA A 67 1.592 2.038 2.956 1.00 3.05 C ATOM 1078 C ALA A 67 2.917 1.645 2.277 1.00 62.00 C ATOM 1079 O ALA A 67 2.984 0.599 1.644 1.00 43.55 O ATOM 1080 CB ALA A 67 0.683 2.830 2.012 1.00 64.32 C ATOM 0 H ALA A 67 1.631 3.807 4.071 1.00 51.13 H new ATOM 0 HA ALA A 67 1.083 1.111 3.220 1.00 3.05 H new ATOM 0 HB1 ALA A 67 0.504 2.249 1.107 1.00 64.32 H new ATOM 0 HB2 ALA A 67 -0.267 3.033 2.507 1.00 64.32 H new ATOM 0 HB3 ALA A 67 1.164 3.772 1.749 1.00 64.32 H new ATOM 1086 N ALA A 68 3.959 2.496 2.421 1.00 64.42 N ATOM 1087 CA ALA A 68 5.312 2.213 1.895 1.00 61.34 C ATOM 1088 C ALA A 68 5.960 1.052 2.656 1.00 65.52 C ATOM 1089 O ALA A 68 6.559 0.161 2.046 1.00 63.34 O ATOM 1090 CB ALA A 68 6.209 3.456 1.984 1.00 22.11 C ATOM 0 H ALA A 68 3.885 3.392 2.902 1.00 64.42 H new ATOM 0 HA ALA A 68 5.206 1.933 0.847 1.00 61.34 H new ATOM 0 HB1 ALA A 68 7.198 3.220 1.591 1.00 22.11 H new ATOM 0 HB2 ALA A 68 5.770 4.264 1.400 1.00 22.11 H new ATOM 0 HB3 ALA A 68 6.297 3.767 3.025 1.00 22.11 H new ATOM 1096 N LYS A 69 5.828 1.091 3.996 1.00 72.14 N ATOM 1097 CA LYS A 69 6.329 0.037 4.890 1.00 72.24 C ATOM 1098 C LYS A 69 5.652 -1.286 4.545 1.00 10.02 C ATOM 1099 O LYS A 69 6.323 -2.257 4.224 1.00 14.35 O ATOM 1100 CB LYS A 69 6.031 0.387 6.371 1.00 40.15 C ATOM 1101 CG LYS A 69 6.508 -0.669 7.406 1.00 1.34 C ATOM 1102 CD LYS A 69 8.038 -0.704 7.589 1.00 20.53 C ATOM 1103 CE LYS A 69 8.586 0.621 8.145 1.00 23.23 C ATOM 1104 NZ LYS A 69 10.057 0.574 8.347 1.00 63.40 N ATOM 0 H LYS A 69 5.369 1.858 4.487 1.00 72.14 H new ATOM 0 HA LYS A 69 7.408 -0.046 4.757 1.00 72.24 H new ATOM 0 HB2 LYS A 69 6.503 1.341 6.605 1.00 40.15 H new ATOM 0 HB3 LYS A 69 4.956 0.526 6.486 1.00 40.15 H new ATOM 0 HG2 LYS A 69 6.040 -0.460 8.368 1.00 1.34 H new ATOM 0 HG3 LYS A 69 6.165 -1.655 7.092 1.00 1.34 H new ATOM 0 HD2 LYS A 69 8.303 -1.517 8.265 1.00 20.53 H new ATOM 0 HD3 LYS A 69 8.512 -0.918 6.631 1.00 20.53 H new ATOM 0 HE2 LYS A 69 8.340 1.431 7.459 1.00 23.23 H new ATOM 0 HE3 LYS A 69 8.097 0.846 9.093 1.00 23.23 H new ATOM 0 HZ1 LYS A 69 10.385 1.487 8.723 1.00 63.40 H new ATOM 0 HZ2 LYS A 69 10.291 -0.182 9.022 1.00 63.40 H new ATOM 0 HZ3 LYS A 69 10.526 0.385 7.438 1.00 63.40 H new ATOM 1118 N SER A 70 4.307 -1.248 4.533 1.00 41.33 N ATOM 1119 CA SER A 70 3.463 -2.423 4.320 1.00 3.00 C ATOM 1120 C SER A 70 3.666 -3.001 2.906 1.00 61.52 C ATOM 1121 O SER A 70 3.525 -4.202 2.713 1.00 32.10 O ATOM 1122 CB SER A 70 1.985 -2.050 4.573 1.00 44.20 C ATOM 1123 OG SER A 70 1.183 -3.205 4.715 1.00 51.02 O ATOM 0 H SER A 70 3.776 -0.388 4.673 1.00 41.33 H new ATOM 0 HA SER A 70 3.751 -3.201 5.027 1.00 3.00 H new ATOM 0 HB2 SER A 70 1.910 -1.439 5.473 1.00 44.20 H new ATOM 0 HB3 SER A 70 1.613 -1.445 3.746 1.00 44.20 H new ATOM 0 HG SER A 70 0.592 -3.290 3.938 1.00 51.02 H new ATOM 1129 N LEU A 71 4.002 -2.116 1.940 1.00 30.23 N ATOM 1130 CA LEU A 71 4.365 -2.505 0.560 1.00 24.24 C ATOM 1131 C LEU A 71 5.607 -3.417 0.608 1.00 71.24 C ATOM 1132 O LEU A 71 5.583 -4.525 0.082 1.00 35.12 O ATOM 1133 CB LEU A 71 4.626 -1.240 -0.328 1.00 33.33 C ATOM 1134 CG LEU A 71 4.118 -1.295 -1.810 1.00 32.33 C ATOM 1135 CD1 LEU A 71 4.352 0.050 -2.505 1.00 11.23 C ATOM 1136 CD2 LEU A 71 4.752 -2.440 -2.628 1.00 71.03 C ATOM 0 H LEU A 71 4.029 -1.109 2.097 1.00 30.23 H new ATOM 0 HA LEU A 71 3.537 -3.050 0.107 1.00 24.24 H new ATOM 0 HB2 LEU A 71 4.161 -0.383 0.158 1.00 33.33 H new ATOM 0 HB3 LEU A 71 5.700 -1.053 -0.344 1.00 33.33 H new ATOM 0 HG LEU A 71 3.049 -1.501 -1.764 1.00 32.33 H new ATOM 0 HD11 LEU A 71 3.994 -0.005 -3.533 1.00 11.23 H new ATOM 0 HD12 LEU A 71 3.811 0.833 -1.974 1.00 11.23 H new ATOM 0 HD13 LEU A 71 5.418 0.280 -2.504 1.00 11.23 H new ATOM 0 HD21 LEU A 71 4.358 -2.422 -3.644 1.00 71.03 H new ATOM 0 HD22 LEU A 71 5.834 -2.311 -2.656 1.00 71.03 H new ATOM 0 HD23 LEU A 71 4.512 -3.396 -2.162 1.00 71.03 H new ATOM 1148 N LYS A 72 6.662 -2.937 1.306 1.00 52.34 N ATOM 1149 CA LYS A 72 7.959 -3.636 1.413 1.00 45.32 C ATOM 1150 C LYS A 72 7.832 -4.949 2.208 1.00 1.10 C ATOM 1151 O LYS A 72 8.492 -5.946 1.881 1.00 54.14 O ATOM 1152 CB LYS A 72 9.007 -2.728 2.086 1.00 64.22 C ATOM 1153 CG LYS A 72 9.272 -1.394 1.359 1.00 54.10 C ATOM 1154 CD LYS A 72 10.305 -0.489 2.081 1.00 41.11 C ATOM 1155 CE LYS A 72 9.920 -0.125 3.541 1.00 54.41 C ATOM 1156 NZ LYS A 72 10.227 -1.208 4.530 1.00 52.13 N ATOM 0 H LYS A 72 6.635 -2.051 1.811 1.00 52.34 H new ATOM 0 HA LYS A 72 8.282 -3.877 0.400 1.00 45.32 H new ATOM 0 HB2 LYS A 72 8.680 -2.512 3.103 1.00 64.22 H new ATOM 0 HB3 LYS A 72 9.946 -3.276 2.163 1.00 64.22 H new ATOM 0 HG2 LYS A 72 9.627 -1.604 0.350 1.00 54.10 H new ATOM 0 HG3 LYS A 72 8.332 -0.851 1.259 1.00 54.10 H new ATOM 0 HD2 LYS A 72 11.272 -0.993 2.087 1.00 41.11 H new ATOM 0 HD3 LYS A 72 10.428 0.431 1.509 1.00 41.11 H new ATOM 0 HE2 LYS A 72 10.450 0.782 3.832 1.00 54.41 H new ATOM 0 HE3 LYS A 72 8.854 0.101 3.581 1.00 54.41 H new ATOM 0 HZ1 LYS A 72 10.680 -0.793 5.370 1.00 52.13 H new ATOM 0 HZ2 LYS A 72 9.345 -1.682 4.811 1.00 52.13 H new ATOM 0 HZ3 LYS A 72 10.870 -1.901 4.097 1.00 52.13 H new ATOM 1170 N GLU A 73 6.990 -4.935 3.253 1.00 13.13 N ATOM 1171 CA GLU A 73 6.764 -6.119 4.102 1.00 1.13 C ATOM 1172 C GLU A 73 5.883 -7.140 3.357 1.00 64.03 C ATOM 1173 O GLU A 73 5.930 -8.340 3.642 1.00 53.51 O ATOM 1174 CB GLU A 73 6.145 -5.730 5.473 1.00 34.23 C ATOM 1175 CG GLU A 73 6.876 -4.584 6.230 1.00 64.51 C ATOM 1176 CD GLU A 73 8.418 -4.611 6.127 1.00 34.31 C ATOM 1177 OE1 GLU A 73 9.052 -5.521 6.711 1.00 42.43 O ATOM 1178 OE2 GLU A 73 9.012 -3.710 5.479 1.00 10.51 O ATOM 0 H GLU A 73 6.452 -4.115 3.532 1.00 13.13 H new ATOM 0 HA GLU A 73 7.729 -6.581 4.311 1.00 1.13 H new ATOM 0 HB2 GLU A 73 5.108 -5.435 5.314 1.00 34.23 H new ATOM 0 HB3 GLU A 73 6.131 -6.614 6.111 1.00 34.23 H new ATOM 0 HG2 GLU A 73 6.518 -3.629 5.845 1.00 64.51 H new ATOM 0 HG3 GLU A 73 6.597 -4.628 7.283 1.00 64.51 H new ATOM 1185 N ALA A 74 5.088 -6.644 2.392 1.00 61.30 N ATOM 1186 CA ALA A 74 4.330 -7.498 1.472 1.00 64.54 C ATOM 1187 C ALA A 74 5.288 -8.198 0.498 1.00 2.24 C ATOM 1188 O ALA A 74 5.085 -9.366 0.204 1.00 30.13 O ATOM 1189 CB ALA A 74 3.266 -6.690 0.702 1.00 54.31 C ATOM 0 H ALA A 74 4.956 -5.645 2.232 1.00 61.30 H new ATOM 0 HA ALA A 74 3.807 -8.252 2.060 1.00 64.54 H new ATOM 0 HB1 ALA A 74 2.722 -7.353 0.029 1.00 54.31 H new ATOM 0 HB2 ALA A 74 2.569 -6.240 1.409 1.00 54.31 H new ATOM 0 HB3 ALA A 74 3.753 -5.906 0.123 1.00 54.31 H new ATOM 1195 N ILE A 75 6.357 -7.473 0.052 1.00 50.33 N ATOM 1196 CA ILE A 75 7.307 -7.949 -0.990 1.00 4.51 C ATOM 1197 C ILE A 75 7.907 -9.324 -0.655 1.00 74.52 C ATOM 1198 O ILE A 75 7.975 -10.204 -1.525 1.00 72.45 O ATOM 1199 CB ILE A 75 8.478 -6.925 -1.262 1.00 2.05 C ATOM 1200 CG1 ILE A 75 7.940 -5.527 -1.700 1.00 51.41 C ATOM 1201 CG2 ILE A 75 9.467 -7.467 -2.316 1.00 23.31 C ATOM 1202 CD1 ILE A 75 6.963 -5.530 -2.861 1.00 52.12 C ATOM 0 H ILE A 75 6.580 -6.543 0.407 1.00 50.33 H new ATOM 0 HA ILE A 75 6.708 -8.039 -1.896 1.00 4.51 H new ATOM 0 HB ILE A 75 9.009 -6.801 -0.318 1.00 2.05 H new ATOM 0 HG12 ILE A 75 7.455 -5.060 -0.843 1.00 51.41 H new ATOM 0 HG13 ILE A 75 8.790 -4.899 -1.966 1.00 51.41 H new ATOM 0 HG21 ILE A 75 10.260 -6.738 -2.479 1.00 23.31 H new ATOM 0 HG22 ILE A 75 9.901 -8.402 -1.961 1.00 23.31 H new ATOM 0 HG23 ILE A 75 8.939 -7.645 -3.253 1.00 23.31 H new ATOM 0 HD11 ILE A 75 6.655 -4.508 -3.080 1.00 52.12 H new ATOM 0 HD12 ILE A 75 7.443 -5.960 -3.740 1.00 52.12 H new ATOM 0 HD13 ILE A 75 6.088 -6.124 -2.599 1.00 52.12 H new ATOM 1214 N THR A 76 8.320 -9.504 0.605 1.00 24.30 N ATOM 1215 CA THR A 76 8.912 -10.765 1.066 1.00 71.10 C ATOM 1216 C THR A 76 7.843 -11.888 1.113 1.00 70.42 C ATOM 1217 O THR A 76 8.149 -13.046 0.862 1.00 61.40 O ATOM 1218 CB THR A 76 9.606 -10.590 2.456 1.00 43.11 C ATOM 1219 OG1 THR A 76 10.278 -11.803 2.826 1.00 61.42 O ATOM 1220 CG2 THR A 76 8.616 -10.185 3.565 1.00 14.23 C ATOM 0 H THR A 76 8.254 -8.787 1.328 1.00 24.30 H new ATOM 0 HA THR A 76 9.680 -11.058 0.350 1.00 71.10 H new ATOM 0 HB THR A 76 10.328 -9.780 2.353 1.00 43.11 H new ATOM 0 HG1 THR A 76 10.711 -11.684 3.697 1.00 61.42 H new ATOM 0 HG21 THR A 76 9.151 -10.077 4.509 1.00 14.23 H new ATOM 0 HG22 THR A 76 8.145 -9.237 3.304 1.00 14.23 H new ATOM 0 HG23 THR A 76 7.850 -10.954 3.668 1.00 14.23 H new ATOM 1228 N ALA A 77 6.576 -11.502 1.372 1.00 12.35 N ATOM 1229 CA ALA A 77 5.426 -12.434 1.460 1.00 74.22 C ATOM 1230 C ALA A 77 4.813 -12.728 0.064 1.00 20.43 C ATOM 1231 O ALA A 77 3.935 -13.594 -0.058 1.00 44.33 O ATOM 1232 CB ALA A 77 4.370 -11.843 2.413 1.00 22.15 C ATOM 0 H ALA A 77 6.318 -10.528 1.528 1.00 12.35 H new ATOM 0 HA ALA A 77 5.779 -13.387 1.854 1.00 74.22 H new ATOM 0 HB1 ALA A 77 3.521 -12.523 2.482 1.00 22.15 H new ATOM 0 HB2 ALA A 77 4.808 -11.707 3.402 1.00 22.15 H new ATOM 0 HB3 ALA A 77 4.033 -10.880 2.030 1.00 22.15 H new ATOM 1238 N ILE A 78 5.268 -11.988 -0.971 1.00 53.10 N ATOM 1239 CA ILE A 78 4.781 -12.134 -2.365 1.00 50.23 C ATOM 1240 C ILE A 78 5.226 -13.485 -2.979 1.00 42.21 C ATOM 1241 O ILE A 78 6.325 -13.958 -2.682 1.00 54.50 O ATOM 1242 CB ILE A 78 5.272 -10.921 -3.268 1.00 42.33 C ATOM 1243 CG1 ILE A 78 4.531 -9.621 -2.869 1.00 15.32 C ATOM 1244 CG2 ILE A 78 5.100 -11.194 -4.778 1.00 24.50 C ATOM 1245 CD1 ILE A 78 4.869 -8.399 -3.692 1.00 25.45 C ATOM 0 H ILE A 78 5.985 -11.270 -0.865 1.00 53.10 H new ATOM 0 HA ILE A 78 3.691 -12.121 -2.336 1.00 50.23 H new ATOM 0 HB ILE A 78 6.340 -10.802 -3.087 1.00 42.33 H new ATOM 0 HG12 ILE A 78 3.458 -9.799 -2.939 1.00 15.32 H new ATOM 0 HG13 ILE A 78 4.750 -9.405 -1.823 1.00 15.32 H new ATOM 0 HG21 ILE A 78 5.451 -10.332 -5.346 1.00 24.50 H new ATOM 0 HG22 ILE A 78 5.680 -12.074 -5.057 1.00 24.50 H new ATOM 0 HG23 ILE A 78 4.047 -11.369 -4.998 1.00 24.50 H new ATOM 0 HD11 ILE A 78 4.296 -7.546 -3.329 1.00 25.45 H new ATOM 0 HD12 ILE A 78 5.934 -8.184 -3.604 1.00 25.45 H new ATOM 0 HD13 ILE A 78 4.622 -8.584 -4.737 1.00 25.45 H new ATOM 1257 N PRO A 79 4.327 -14.150 -3.789 1.00 63.33 N ATOM 1258 CA PRO A 79 4.699 -15.272 -4.698 1.00 52.31 C ATOM 1259 C PRO A 79 5.993 -15.031 -5.525 1.00 65.52 C ATOM 1260 O PRO A 79 6.283 -13.910 -5.959 1.00 62.04 O ATOM 1261 CB PRO A 79 3.463 -15.371 -5.608 1.00 53.51 C ATOM 1262 CG PRO A 79 2.324 -15.030 -4.702 1.00 51.50 C ATOM 1263 CD PRO A 79 2.845 -13.917 -3.815 1.00 33.43 C ATOM 0 HA PRO A 79 4.937 -16.180 -4.144 1.00 52.31 H new ATOM 0 HB2 PRO A 79 3.528 -14.678 -6.447 1.00 53.51 H new ATOM 0 HB3 PRO A 79 3.355 -16.371 -6.028 1.00 53.51 H new ATOM 0 HG2 PRO A 79 1.452 -14.706 -5.270 1.00 51.50 H new ATOM 0 HG3 PRO A 79 2.017 -15.894 -4.112 1.00 51.50 H new ATOM 0 HD2 PRO A 79 2.601 -12.935 -4.219 1.00 33.43 H new ATOM 0 HD3 PRO A 79 2.414 -13.966 -2.815 1.00 33.43 H new ATOM 1271 N GLU A 80 6.709 -16.123 -5.782 1.00 51.43 N ATOM 1272 CA GLU A 80 8.087 -16.108 -6.303 1.00 64.20 C ATOM 1273 C GLU A 80 8.129 -15.891 -7.838 1.00 51.31 C ATOM 1274 O GLU A 80 9.163 -15.498 -8.388 1.00 5.41 O ATOM 1275 CB GLU A 80 8.767 -17.461 -5.918 1.00 5.01 C ATOM 1276 CG GLU A 80 10.301 -17.497 -6.061 1.00 32.34 C ATOM 1277 CD GLU A 80 11.024 -16.567 -5.071 1.00 2.22 C ATOM 1278 OE1 GLU A 80 11.043 -16.874 -3.859 1.00 13.40 O ATOM 1279 OE2 GLU A 80 11.552 -15.513 -5.488 1.00 22.10 O ATOM 0 H GLU A 80 6.347 -17.065 -5.633 1.00 51.43 H new ATOM 0 HA GLU A 80 8.625 -15.270 -5.860 1.00 64.20 H new ATOM 0 HB2 GLU A 80 8.510 -17.696 -4.885 1.00 5.01 H new ATOM 0 HB3 GLU A 80 8.343 -18.250 -6.539 1.00 5.01 H new ATOM 0 HG2 GLU A 80 10.650 -18.519 -5.910 1.00 32.34 H new ATOM 0 HG3 GLU A 80 10.571 -17.215 -7.078 1.00 32.34 H new ATOM 1286 N GLU A 81 6.984 -16.118 -8.503 1.00 11.20 N ATOM 1287 CA GLU A 81 6.908 -16.216 -9.969 1.00 5.34 C ATOM 1288 C GLU A 81 7.179 -14.861 -10.661 1.00 53.21 C ATOM 1289 O GLU A 81 8.222 -14.679 -11.294 1.00 40.10 O ATOM 1290 CB GLU A 81 5.532 -16.780 -10.438 1.00 24.45 C ATOM 1291 CG GLU A 81 5.042 -18.082 -9.745 1.00 33.40 C ATOM 1292 CD GLU A 81 4.321 -17.834 -8.407 1.00 12.54 C ATOM 1293 OE1 GLU A 81 3.133 -17.444 -8.438 1.00 60.01 O ATOM 1294 OE2 GLU A 81 4.932 -18.014 -7.326 1.00 30.42 O ATOM 0 H GLU A 81 6.084 -16.239 -8.038 1.00 11.20 H new ATOM 0 HA GLU A 81 7.692 -16.912 -10.266 1.00 5.34 H new ATOM 0 HB2 GLU A 81 4.778 -16.008 -10.286 1.00 24.45 H new ATOM 0 HB3 GLU A 81 5.587 -16.965 -11.511 1.00 24.45 H new ATOM 0 HG2 GLU A 81 4.368 -18.611 -10.419 1.00 33.40 H new ATOM 0 HG3 GLU A 81 5.897 -18.735 -9.572 1.00 33.40 H new ATOM 1301 N GLU A 82 6.235 -13.917 -10.541 1.00 23.43 N ATOM 1302 CA GLU A 82 6.269 -12.638 -11.287 1.00 60.14 C ATOM 1303 C GLU A 82 6.357 -11.432 -10.338 1.00 15.53 C ATOM 1304 O GLU A 82 6.977 -10.417 -10.675 1.00 22.34 O ATOM 1305 CB GLU A 82 4.998 -12.525 -12.173 1.00 65.34 C ATOM 1306 CG GLU A 82 4.823 -13.652 -13.215 1.00 11.44 C ATOM 1307 CD GLU A 82 5.977 -13.714 -14.221 1.00 61.21 C ATOM 1308 OE1 GLU A 82 6.002 -12.882 -15.152 1.00 63.51 O ATOM 1309 OE2 GLU A 82 6.886 -14.552 -14.068 1.00 25.24 O ATOM 0 H GLU A 82 5.426 -14.012 -9.927 1.00 23.43 H new ATOM 0 HA GLU A 82 7.161 -12.631 -11.914 1.00 60.14 H new ATOM 0 HB2 GLU A 82 4.122 -12.512 -11.525 1.00 65.34 H new ATOM 0 HB3 GLU A 82 5.022 -11.569 -12.696 1.00 65.34 H new ATOM 0 HG2 GLU A 82 4.745 -14.609 -12.699 1.00 11.44 H new ATOM 0 HG3 GLU A 82 3.886 -13.502 -13.752 1.00 11.44 H new ATOM 1316 N GLY A 83 5.745 -11.569 -9.148 1.00 63.20 N ATOM 1317 CA GLY A 83 5.525 -10.443 -8.240 1.00 54.14 C ATOM 1318 C GLY A 83 6.791 -9.811 -7.676 1.00 35.44 C ATOM 1319 O GLY A 83 6.770 -8.642 -7.282 1.00 41.20 O ATOM 0 H GLY A 83 5.393 -12.459 -8.796 1.00 63.20 H new ATOM 0 HA2 GLY A 83 4.959 -9.676 -8.768 1.00 54.14 H new ATOM 0 HA3 GLY A 83 4.905 -10.782 -7.410 1.00 54.14 H new ATOM 1323 N ARG A 84 7.893 -10.579 -7.643 1.00 54.52 N ATOM 1324 CA ARG A 84 9.192 -10.072 -7.177 1.00 22.45 C ATOM 1325 C ARG A 84 9.687 -8.963 -8.131 1.00 12.14 C ATOM 1326 O ARG A 84 9.988 -7.858 -7.711 1.00 1.20 O ATOM 1327 CB ARG A 84 10.250 -11.202 -7.132 1.00 33.33 C ATOM 1328 CG ARG A 84 9.874 -12.452 -6.313 1.00 35.31 C ATOM 1329 CD ARG A 84 9.744 -12.196 -4.799 1.00 43.22 C ATOM 1330 NE ARG A 84 9.786 -13.469 -4.058 1.00 45.14 N ATOM 1331 CZ ARG A 84 9.408 -13.670 -2.793 1.00 20.54 C ATOM 1332 NH1 ARG A 84 8.915 -12.684 -2.043 1.00 54.21 N ATOM 1333 NH2 ARG A 84 9.528 -14.880 -2.275 1.00 4.25 N ATOM 0 H ARG A 84 7.908 -11.556 -7.935 1.00 54.52 H new ATOM 0 HA ARG A 84 9.058 -9.676 -6.170 1.00 22.45 H new ATOM 0 HB2 ARG A 84 10.463 -11.513 -8.155 1.00 33.33 H new ATOM 0 HB3 ARG A 84 11.174 -10.791 -6.725 1.00 33.33 H new ATOM 0 HG2 ARG A 84 8.929 -12.847 -6.686 1.00 35.31 H new ATOM 0 HG3 ARG A 84 10.628 -13.221 -6.477 1.00 35.31 H new ATOM 0 HD2 ARG A 84 10.551 -11.545 -4.463 1.00 43.22 H new ATOM 0 HD3 ARG A 84 8.809 -11.677 -4.590 1.00 43.22 H new ATOM 0 HE ARG A 84 10.141 -14.281 -4.564 1.00 45.14 H new ATOM 0 HH11 ARG A 84 8.818 -11.746 -2.433 1.00 54.21 H new ATOM 0 HH12 ARG A 84 8.634 -12.867 -1.080 1.00 54.21 H new ATOM 0 HH21 ARG A 84 9.904 -15.642 -2.840 1.00 4.25 H new ATOM 0 HH22 ARG A 84 9.244 -15.052 -1.310 1.00 4.25 H new ATOM 1347 N LYS A 85 9.698 -9.271 -9.439 1.00 3.23 N ATOM 1348 CA LYS A 85 10.311 -8.400 -10.467 1.00 3.01 C ATOM 1349 C LYS A 85 9.340 -7.310 -10.989 1.00 71.44 C ATOM 1350 O LYS A 85 9.626 -6.668 -12.009 1.00 52.14 O ATOM 1351 CB LYS A 85 10.873 -9.270 -11.634 1.00 13.00 C ATOM 1352 CG LYS A 85 9.818 -10.137 -12.358 1.00 42.30 C ATOM 1353 CD LYS A 85 10.422 -10.964 -13.516 1.00 72.33 C ATOM 1354 CE LYS A 85 9.381 -11.861 -14.205 1.00 33.42 C ATOM 1355 NZ LYS A 85 8.250 -11.079 -14.776 1.00 44.01 N ATOM 0 H LYS A 85 9.286 -10.125 -9.816 1.00 3.23 H new ATOM 0 HA LYS A 85 11.134 -7.864 -9.995 1.00 3.01 H new ATOM 0 HB2 LYS A 85 11.347 -8.613 -12.364 1.00 13.00 H new ATOM 0 HB3 LYS A 85 11.652 -9.923 -11.240 1.00 13.00 H new ATOM 0 HG2 LYS A 85 9.352 -10.811 -11.639 1.00 42.30 H new ATOM 0 HG3 LYS A 85 9.030 -9.493 -12.749 1.00 42.30 H new ATOM 0 HD2 LYS A 85 10.858 -10.288 -14.252 1.00 72.33 H new ATOM 0 HD3 LYS A 85 11.233 -11.583 -13.132 1.00 72.33 H new ATOM 0 HE2 LYS A 85 9.864 -12.430 -14.999 1.00 33.42 H new ATOM 0 HE3 LYS A 85 8.994 -12.583 -13.486 1.00 33.42 H new ATOM 0 HZ1 LYS A 85 7.549 -11.730 -15.185 1.00 44.01 H new ATOM 0 HZ2 LYS A 85 7.803 -10.516 -14.024 1.00 44.01 H new ATOM 0 HZ3 LYS A 85 8.607 -10.444 -15.518 1.00 44.01 H new ATOM 1369 N GLU A 86 8.211 -7.063 -10.278 1.00 35.23 N ATOM 1370 CA GLU A 86 7.248 -6.001 -10.663 1.00 63.10 C ATOM 1371 C GLU A 86 6.784 -5.177 -9.440 1.00 5.13 C ATOM 1372 O GLU A 86 6.842 -3.940 -9.467 1.00 32.51 O ATOM 1373 CB GLU A 86 6.061 -6.605 -11.482 1.00 63.24 C ATOM 1374 CG GLU A 86 5.171 -7.658 -10.757 1.00 71.15 C ATOM 1375 CD GLU A 86 3.772 -7.143 -10.370 1.00 55.12 C ATOM 1376 OE1 GLU A 86 2.892 -7.089 -11.246 1.00 44.11 O ATOM 1377 OE2 GLU A 86 3.546 -6.795 -9.198 1.00 41.22 O ATOM 0 H GLU A 86 7.946 -7.581 -9.440 1.00 35.23 H new ATOM 0 HA GLU A 86 7.758 -5.294 -11.317 1.00 63.10 H new ATOM 0 HB2 GLU A 86 5.421 -5.785 -11.807 1.00 63.24 H new ATOM 0 HB3 GLU A 86 6.469 -7.066 -12.381 1.00 63.24 H new ATOM 0 HG2 GLU A 86 5.059 -8.529 -11.403 1.00 71.15 H new ATOM 0 HG3 GLU A 86 5.685 -7.993 -9.856 1.00 71.15 H new ATOM 1384 N ALA A 87 6.350 -5.852 -8.359 1.00 14.22 N ATOM 1385 CA ALA A 87 5.818 -5.164 -7.162 1.00 30.22 C ATOM 1386 C ALA A 87 6.930 -4.536 -6.319 1.00 23.11 C ATOM 1387 O ALA A 87 6.737 -3.471 -5.713 1.00 73.34 O ATOM 1388 CB ALA A 87 4.979 -6.121 -6.321 1.00 3.21 C ATOM 0 H ALA A 87 6.356 -6.869 -8.287 1.00 14.22 H new ATOM 0 HA ALA A 87 5.180 -4.352 -7.511 1.00 30.22 H new ATOM 0 HB1 ALA A 87 4.597 -5.596 -5.445 1.00 3.21 H new ATOM 0 HB2 ALA A 87 4.144 -6.491 -6.916 1.00 3.21 H new ATOM 0 HB3 ALA A 87 5.596 -6.960 -6.000 1.00 3.21 H new ATOM 1394 N LYS A 88 8.098 -5.211 -6.287 1.00 22.32 N ATOM 1395 CA LYS A 88 9.305 -4.713 -5.596 1.00 73.25 C ATOM 1396 C LYS A 88 9.789 -3.410 -6.247 1.00 43.04 C ATOM 1397 O LYS A 88 10.369 -2.556 -5.583 1.00 62.32 O ATOM 1398 CB LYS A 88 10.403 -5.798 -5.608 1.00 40.44 C ATOM 1399 CG LYS A 88 11.635 -5.527 -4.711 1.00 10.24 C ATOM 1400 CD LYS A 88 12.437 -6.824 -4.449 1.00 21.45 C ATOM 1401 CE LYS A 88 13.626 -6.643 -3.489 1.00 33.13 C ATOM 1402 NZ LYS A 88 14.745 -5.900 -4.116 1.00 51.41 N ATOM 0 H LYS A 88 8.230 -6.116 -6.739 1.00 22.32 H new ATOM 0 HA LYS A 88 9.063 -4.492 -4.556 1.00 73.25 H new ATOM 0 HB2 LYS A 88 9.955 -6.743 -5.300 1.00 40.44 H new ATOM 0 HB3 LYS A 88 10.747 -5.927 -6.634 1.00 40.44 H new ATOM 0 HG2 LYS A 88 12.279 -4.789 -5.188 1.00 10.24 H new ATOM 0 HG3 LYS A 88 11.310 -5.100 -3.762 1.00 10.24 H new ATOM 0 HD2 LYS A 88 11.765 -7.578 -4.040 1.00 21.45 H new ATOM 0 HD3 LYS A 88 12.806 -7.209 -5.400 1.00 21.45 H new ATOM 0 HE2 LYS A 88 13.293 -6.111 -2.598 1.00 33.13 H new ATOM 0 HE3 LYS A 88 13.979 -7.621 -3.163 1.00 33.13 H new ATOM 0 HZ1 LYS A 88 15.523 -5.802 -3.433 1.00 51.41 H new ATOM 0 HZ2 LYS A 88 15.082 -6.420 -4.952 1.00 51.41 H new ATOM 0 HZ3 LYS A 88 14.417 -4.956 -4.404 1.00 51.41 H new ATOM 1416 N GLU A 89 9.518 -3.281 -7.558 1.00 2.20 N ATOM 1417 CA GLU A 89 9.875 -2.097 -8.352 1.00 35.35 C ATOM 1418 C GLU A 89 8.957 -0.915 -7.999 1.00 51.00 C ATOM 1419 O GLU A 89 9.405 0.228 -7.906 1.00 0.44 O ATOM 1420 CB GLU A 89 9.808 -2.427 -9.863 1.00 50.14 C ATOM 1421 CG GLU A 89 10.522 -3.737 -10.260 1.00 53.40 C ATOM 1422 CD GLU A 89 11.989 -3.822 -9.793 1.00 63.04 C ATOM 1423 OE1 GLU A 89 12.886 -3.343 -10.521 1.00 44.11 O ATOM 1424 OE2 GLU A 89 12.256 -4.374 -8.699 1.00 55.14 O ATOM 0 H GLU A 89 9.041 -4.003 -8.098 1.00 2.20 H new ATOM 0 HA GLU A 89 10.898 -1.807 -8.113 1.00 35.35 H new ATOM 0 HB2 GLU A 89 8.762 -2.492 -10.163 1.00 50.14 H new ATOM 0 HB3 GLU A 89 10.249 -1.602 -10.423 1.00 50.14 H new ATOM 0 HG2 GLU A 89 9.970 -4.579 -9.843 1.00 53.40 H new ATOM 0 HG3 GLU A 89 10.491 -3.841 -11.345 1.00 53.40 H new ATOM 1431 N MET A 90 7.658 -1.215 -7.791 1.00 72.22 N ATOM 1432 CA MET A 90 6.666 -0.212 -7.334 1.00 12.24 C ATOM 1433 C MET A 90 7.023 0.307 -5.928 1.00 74.34 C ATOM 1434 O MET A 90 6.779 1.468 -5.601 1.00 52.20 O ATOM 1435 CB MET A 90 5.244 -0.816 -7.317 1.00 30.31 C ATOM 1436 CG MET A 90 4.755 -1.395 -8.651 1.00 75.03 C ATOM 1437 SD MET A 90 2.989 -1.798 -8.622 1.00 24.13 S ATOM 1438 CE MET A 90 2.857 -2.892 -7.199 1.00 71.51 C ATOM 0 H MET A 90 7.268 -2.147 -7.932 1.00 72.22 H new ATOM 0 HA MET A 90 6.688 0.621 -8.036 1.00 12.24 H new ATOM 0 HB2 MET A 90 5.212 -1.605 -6.565 1.00 30.31 H new ATOM 0 HB3 MET A 90 4.544 -0.044 -6.998 1.00 30.31 H new ATOM 0 HG2 MET A 90 4.948 -0.677 -9.448 1.00 75.03 H new ATOM 0 HG3 MET A 90 5.326 -2.293 -8.885 1.00 75.03 H new ATOM 0 HE1 MET A 90 2.614 -3.900 -7.536 1.00 71.51 H new ATOM 0 HE2 MET A 90 3.806 -2.907 -6.663 1.00 71.51 H new ATOM 0 HE3 MET A 90 2.071 -2.532 -6.535 1.00 71.51 H new ATOM 1448 N ALA A 91 7.594 -0.594 -5.104 1.00 34.34 N ATOM 1449 CA ALA A 91 8.055 -0.263 -3.749 1.00 30.25 C ATOM 1450 C ALA A 91 9.163 0.817 -3.767 1.00 14.31 C ATOM 1451 O ALA A 91 9.291 1.563 -2.795 1.00 54.10 O ATOM 1452 CB ALA A 91 8.505 -1.535 -3.007 1.00 60.44 C ATOM 0 H ALA A 91 7.747 -1.569 -5.362 1.00 34.34 H new ATOM 0 HA ALA A 91 7.215 0.165 -3.202 1.00 30.25 H new ATOM 0 HB1 ALA A 91 8.843 -1.271 -2.005 1.00 60.44 H new ATOM 0 HB2 ALA A 91 7.668 -2.230 -2.936 1.00 60.44 H new ATOM 0 HB3 ALA A 91 9.322 -2.005 -3.554 1.00 60.44 H new ATOM 1458 N LYS A 92 9.941 0.906 -4.886 1.00 31.35 N ATOM 1459 CA LYS A 92 10.932 1.997 -5.081 1.00 43.31 C ATOM 1460 C LYS A 92 10.237 3.360 -5.090 1.00 63.25 C ATOM 1461 O LYS A 92 10.743 4.304 -4.496 1.00 64.31 O ATOM 1462 CB LYS A 92 11.766 1.869 -6.398 1.00 12.22 C ATOM 1463 CG LYS A 92 12.977 0.914 -6.337 1.00 2.23 C ATOM 1464 CD LYS A 92 12.586 -0.565 -6.335 1.00 60.51 C ATOM 1465 CE LYS A 92 13.794 -1.501 -6.330 1.00 21.34 C ATOM 1466 NZ LYS A 92 13.373 -2.925 -6.380 1.00 24.53 N ATOM 0 H LYS A 92 9.898 0.240 -5.657 1.00 31.35 H new ATOM 0 HA LYS A 92 11.621 1.909 -4.241 1.00 43.31 H new ATOM 0 HB2 LYS A 92 11.102 1.533 -7.195 1.00 12.22 H new ATOM 0 HB3 LYS A 92 12.123 2.860 -6.677 1.00 12.22 H new ATOM 0 HG2 LYS A 92 13.627 1.109 -7.190 1.00 2.23 H new ATOM 0 HG3 LYS A 92 13.556 1.130 -5.439 1.00 2.23 H new ATOM 0 HD2 LYS A 92 11.970 -0.771 -5.460 1.00 60.51 H new ATOM 0 HD3 LYS A 92 11.974 -0.775 -7.212 1.00 60.51 H new ATOM 0 HE2 LYS A 92 14.433 -1.278 -7.184 1.00 21.34 H new ATOM 0 HE3 LYS A 92 14.388 -1.326 -5.433 1.00 21.34 H new ATOM 0 HZ1 LYS A 92 13.989 -3.491 -5.762 1.00 24.53 H new ATOM 0 HZ2 LYS A 92 12.388 -3.007 -6.056 1.00 24.53 H new ATOM 0 HZ3 LYS A 92 13.446 -3.275 -7.357 1.00 24.53 H new ATOM 1480 N LYS A 93 9.084 3.445 -5.789 1.00 3.02 N ATOM 1481 CA LYS A 93 8.307 4.699 -5.907 1.00 60.40 C ATOM 1482 C LYS A 93 7.882 5.190 -4.519 1.00 70.21 C ATOM 1483 O LYS A 93 8.060 6.362 -4.197 1.00 31.43 O ATOM 1484 CB LYS A 93 7.049 4.486 -6.778 1.00 54.44 C ATOM 1485 CG LYS A 93 7.304 4.153 -8.263 1.00 23.42 C ATOM 1486 CD LYS A 93 7.780 5.375 -9.078 1.00 11.30 C ATOM 1487 CE LYS A 93 7.937 5.065 -10.571 1.00 62.32 C ATOM 1488 NZ LYS A 93 8.451 6.235 -11.334 1.00 51.34 N ATOM 0 H LYS A 93 8.669 2.655 -6.283 1.00 3.02 H new ATOM 0 HA LYS A 93 8.944 5.446 -6.381 1.00 60.40 H new ATOM 0 HB2 LYS A 93 6.461 3.679 -6.341 1.00 54.44 H new ATOM 0 HB3 LYS A 93 6.439 5.388 -6.728 1.00 54.44 H new ATOM 0 HG2 LYS A 93 8.053 3.364 -8.330 1.00 23.42 H new ATOM 0 HG3 LYS A 93 6.388 3.762 -8.705 1.00 23.42 H new ATOM 0 HD2 LYS A 93 7.067 6.190 -8.953 1.00 11.30 H new ATOM 0 HD3 LYS A 93 8.734 5.722 -8.681 1.00 11.30 H new ATOM 0 HE2 LYS A 93 8.618 4.223 -10.696 1.00 62.32 H new ATOM 0 HE3 LYS A 93 6.974 4.760 -10.981 1.00 62.32 H new ATOM 0 HZ1 LYS A 93 8.542 5.982 -12.339 1.00 51.34 H new ATOM 0 HZ2 LYS A 93 7.789 7.031 -11.236 1.00 51.34 H new ATOM 0 HZ3 LYS A 93 9.382 6.511 -10.961 1.00 51.34 H new ATOM 1502 N ALA A 94 7.357 4.250 -3.711 1.00 74.41 N ATOM 1503 CA ALA A 94 6.911 4.507 -2.329 1.00 33.41 C ATOM 1504 C ALA A 94 8.058 5.057 -1.446 1.00 70.13 C ATOM 1505 O ALA A 94 7.820 5.860 -0.531 1.00 65.33 O ATOM 1506 CB ALA A 94 6.328 3.223 -1.727 1.00 61.30 C ATOM 0 H ALA A 94 7.229 3.281 -4.002 1.00 74.41 H new ATOM 0 HA ALA A 94 6.137 5.274 -2.359 1.00 33.41 H new ATOM 0 HB1 ALA A 94 5.999 3.416 -0.706 1.00 61.30 H new ATOM 0 HB2 ALA A 94 5.478 2.894 -2.325 1.00 61.30 H new ATOM 0 HB3 ALA A 94 7.091 2.445 -1.721 1.00 61.30 H new ATOM 1512 N GLU A 95 9.299 4.610 -1.749 1.00 41.14 N ATOM 1513 CA GLU A 95 10.525 5.107 -1.098 1.00 43.01 C ATOM 1514 C GLU A 95 10.840 6.530 -1.574 1.00 2.20 C ATOM 1515 O GLU A 95 11.067 7.400 -0.753 1.00 32.00 O ATOM 1516 CB GLU A 95 11.728 4.174 -1.392 1.00 1.50 C ATOM 1517 CG GLU A 95 11.569 2.750 -0.854 1.00 31.35 C ATOM 1518 CD GLU A 95 12.814 1.905 -1.122 1.00 12.43 C ATOM 1519 OE1 GLU A 95 12.960 1.382 -2.245 1.00 15.21 O ATOM 1520 OE2 GLU A 95 13.677 1.799 -0.227 1.00 41.51 O ATOM 0 H GLU A 95 9.474 3.893 -2.453 1.00 41.14 H new ATOM 0 HA GLU A 95 10.354 5.119 -0.022 1.00 43.01 H new ATOM 0 HB2 GLU A 95 11.881 4.127 -2.470 1.00 1.50 H new ATOM 0 HB3 GLU A 95 12.627 4.614 -0.961 1.00 1.50 H new ATOM 0 HG2 GLU A 95 11.376 2.785 0.218 1.00 31.35 H new ATOM 0 HG3 GLU A 95 10.702 2.280 -1.319 1.00 31.35 H new ATOM 1527 N GLU A 96 10.798 6.742 -2.906 1.00 13.14 N ATOM 1528 CA GLU A 96 11.176 8.028 -3.540 1.00 75.31 C ATOM 1529 C GLU A 96 10.284 9.176 -3.054 1.00 74.51 C ATOM 1530 O GLU A 96 10.769 10.296 -2.848 1.00 51.21 O ATOM 1531 CB GLU A 96 11.124 7.934 -5.088 1.00 51.43 C ATOM 1532 CG GLU A 96 12.098 6.905 -5.705 1.00 44.53 C ATOM 1533 CD GLU A 96 13.548 7.036 -5.198 1.00 52.40 C ATOM 1534 OE1 GLU A 96 14.248 7.999 -5.599 1.00 54.54 O ATOM 1535 OE2 GLU A 96 13.993 6.190 -4.382 1.00 70.33 O ATOM 0 H GLU A 96 10.502 6.030 -3.573 1.00 13.14 H new ATOM 0 HA GLU A 96 12.203 8.239 -3.242 1.00 75.31 H new ATOM 0 HB2 GLU A 96 10.108 7.678 -5.389 1.00 51.43 H new ATOM 0 HB3 GLU A 96 11.342 8.917 -5.506 1.00 51.43 H new ATOM 0 HG2 GLU A 96 11.736 5.900 -5.486 1.00 44.53 H new ATOM 0 HG3 GLU A 96 12.091 7.017 -6.789 1.00 44.53 H new ATOM 1542 N TRP A 97 8.993 8.867 -2.863 1.00 25.21 N ATOM 1543 CA TRP A 97 8.007 9.818 -2.354 1.00 72.50 C ATOM 1544 C TRP A 97 8.295 10.143 -0.889 1.00 11.42 C ATOM 1545 O TRP A 97 8.261 11.304 -0.502 1.00 2.24 O ATOM 1546 CB TRP A 97 6.577 9.254 -2.509 1.00 43.00 C ATOM 1547 CG TRP A 97 6.195 8.931 -3.939 1.00 4.43 C ATOM 1548 CD1 TRP A 97 6.618 9.564 -5.073 1.00 54.03 C ATOM 1549 CD2 TRP A 97 5.304 7.896 -4.375 1.00 11.24 C ATOM 1550 NE1 TRP A 97 6.056 8.980 -6.177 1.00 52.41 N ATOM 1551 CE2 TRP A 97 5.253 7.959 -5.778 1.00 5.32 C ATOM 1552 CE3 TRP A 97 4.556 6.924 -3.717 1.00 15.14 C ATOM 1553 CZ2 TRP A 97 4.491 7.087 -6.531 1.00 2.51 C ATOM 1554 CZ3 TRP A 97 3.800 6.052 -4.467 1.00 41.34 C ATOM 1555 CH2 TRP A 97 3.775 6.143 -5.862 1.00 71.03 C ATOM 0 H TRP A 97 8.606 7.944 -3.060 1.00 25.21 H new ATOM 0 HA TRP A 97 8.078 10.736 -2.937 1.00 72.50 H new ATOM 0 HB2 TRP A 97 6.486 8.350 -1.906 1.00 43.00 H new ATOM 0 HB3 TRP A 97 5.867 9.977 -2.108 1.00 43.00 H new ATOM 0 HD1 TRP A 97 7.297 10.403 -5.096 1.00 54.03 H new ATOM 0 HE1 TRP A 97 6.215 9.266 -7.143 1.00 52.41 H new ATOM 0 HE3 TRP A 97 4.569 6.855 -2.639 1.00 15.14 H new ATOM 0 HZ2 TRP A 97 4.465 7.152 -7.609 1.00 2.51 H new ATOM 0 HZ3 TRP A 97 3.219 5.288 -3.972 1.00 41.34 H new ATOM 0 HH2 TRP A 97 3.171 5.445 -6.423 1.00 71.03 H new ATOM 1566 N LEU A 98 8.613 9.100 -0.093 1.00 31.41 N ATOM 1567 CA LEU A 98 8.933 9.256 1.337 1.00 53.32 C ATOM 1568 C LEU A 98 10.186 10.137 1.526 1.00 1.24 C ATOM 1569 O LEU A 98 10.185 11.033 2.355 1.00 13.14 O ATOM 1570 CB LEU A 98 9.130 7.874 2.017 1.00 2.23 C ATOM 1571 CG LEU A 98 9.393 7.913 3.560 1.00 75.02 C ATOM 1572 CD1 LEU A 98 8.207 8.551 4.317 1.00 12.13 C ATOM 1573 CD2 LEU A 98 9.715 6.508 4.110 1.00 42.52 C ATOM 0 H LEU A 98 8.654 8.135 -0.422 1.00 31.41 H new ATOM 0 HA LEU A 98 8.089 9.753 1.816 1.00 53.32 H new ATOM 0 HB2 LEU A 98 8.243 7.268 1.833 1.00 2.23 H new ATOM 0 HB3 LEU A 98 9.967 7.368 1.536 1.00 2.23 H new ATOM 0 HG LEU A 98 10.268 8.542 3.727 1.00 75.02 H new ATOM 0 HD11 LEU A 98 8.421 8.563 5.386 1.00 12.13 H new ATOM 0 HD12 LEU A 98 8.058 9.572 3.966 1.00 12.13 H new ATOM 0 HD13 LEU A 98 7.304 7.969 4.135 1.00 12.13 H new ATOM 0 HD21 LEU A 98 9.893 6.569 5.184 1.00 42.52 H new ATOM 0 HD22 LEU A 98 8.874 5.841 3.919 1.00 42.52 H new ATOM 0 HD23 LEU A 98 10.606 6.120 3.617 1.00 42.52 H new ATOM 1585 N GLN A 99 11.220 9.888 0.699 1.00 22.32 N ATOM 1586 CA GLN A 99 12.503 10.626 0.744 1.00 65.52 C ATOM 1587 C GLN A 99 12.304 12.088 0.306 1.00 44.55 C ATOM 1588 O GLN A 99 13.009 12.987 0.778 1.00 51.15 O ATOM 1589 CB GLN A 99 13.565 9.920 -0.148 1.00 54.12 C ATOM 1590 CG GLN A 99 13.857 8.449 0.245 1.00 34.54 C ATOM 1591 CD GLN A 99 14.873 7.751 -0.668 1.00 23.20 C ATOM 1592 OE1 GLN A 99 15.803 8.377 -1.180 1.00 22.41 O ATOM 1593 NE2 GLN A 99 14.691 6.457 -0.905 1.00 43.43 N ATOM 0 H GLN A 99 11.191 9.167 -0.022 1.00 22.32 H new ATOM 0 HA GLN A 99 12.866 10.628 1.772 1.00 65.52 H new ATOM 0 HB2 GLN A 99 13.227 9.946 -1.184 1.00 54.12 H new ATOM 0 HB3 GLN A 99 14.495 10.487 -0.102 1.00 54.12 H new ATOM 0 HG2 GLN A 99 14.227 8.424 1.270 1.00 34.54 H new ATOM 0 HG3 GLN A 99 12.923 7.887 0.229 1.00 34.54 H new ATOM 0 HE21 GLN A 99 13.913 5.963 -0.468 1.00 43.43 H new ATOM 0 HE22 GLN A 99 15.329 5.957 -1.524 1.00 43.43 H new ATOM 1602 N ALA A 100 11.323 12.302 -0.595 1.00 20.03 N ATOM 1603 CA ALA A 100 10.919 13.640 -1.052 1.00 21.10 C ATOM 1604 C ALA A 100 10.208 14.408 0.073 1.00 43.52 C ATOM 1605 O ALA A 100 10.460 15.598 0.271 1.00 71.10 O ATOM 1606 CB ALA A 100 10.012 13.528 -2.285 1.00 62.21 C ATOM 0 H ALA A 100 10.789 11.547 -1.025 1.00 20.03 H new ATOM 0 HA ALA A 100 11.815 14.196 -1.328 1.00 21.10 H new ATOM 0 HB1 ALA A 100 9.720 14.525 -2.614 1.00 62.21 H new ATOM 0 HB2 ALA A 100 10.550 13.025 -3.088 1.00 62.21 H new ATOM 0 HB3 ALA A 100 9.121 12.954 -2.030 1.00 62.21 H new ATOM 1612 N GLU A 101 9.339 13.700 0.810 1.00 23.12 N ATOM 1613 CA GLU A 101 8.551 14.275 1.915 1.00 22.34 C ATOM 1614 C GLU A 101 9.417 14.518 3.165 1.00 14.41 C ATOM 1615 O GLU A 101 9.123 15.411 3.970 1.00 53.04 O ATOM 1616 CB GLU A 101 7.369 13.342 2.265 1.00 3.32 C ATOM 1617 CG GLU A 101 6.318 13.183 1.151 1.00 63.32 C ATOM 1618 CD GLU A 101 5.703 14.507 0.682 1.00 54.32 C ATOM 1619 OE1 GLU A 101 5.027 15.178 1.491 1.00 44.51 O ATOM 1620 OE2 GLU A 101 5.887 14.886 -0.494 1.00 42.43 O ATOM 0 H GLU A 101 9.161 12.707 0.657 1.00 23.12 H new ATOM 0 HA GLU A 101 8.167 15.239 1.582 1.00 22.34 H new ATOM 0 HB2 GLU A 101 7.764 12.357 2.515 1.00 3.32 H new ATOM 0 HB3 GLU A 101 6.875 13.724 3.159 1.00 3.32 H new ATOM 0 HG2 GLU A 101 6.780 12.686 0.298 1.00 63.32 H new ATOM 0 HG3 GLU A 101 5.521 12.530 1.507 1.00 63.32 H new ATOM 1627 N GLN A 102 10.474 13.709 3.329 1.00 54.23 N ATOM 1628 CA GLN A 102 11.419 13.829 4.449 1.00 12.01 C ATOM 1629 C GLN A 102 12.521 14.830 4.079 1.00 75.51 C ATOM 1630 O GLN A 102 13.632 14.451 3.687 1.00 63.43 O ATOM 1631 CB GLN A 102 11.981 12.429 4.832 1.00 35.14 C ATOM 1632 CG GLN A 102 10.925 11.444 5.400 1.00 64.03 C ATOM 1633 CD GLN A 102 10.387 11.798 6.801 1.00 62.22 C ATOM 1634 OE1 GLN A 102 10.357 12.953 7.223 1.00 43.02 O ATOM 1635 NE2 GLN A 102 9.913 10.794 7.522 1.00 75.32 N ATOM 0 H GLN A 102 10.698 12.950 2.686 1.00 54.23 H new ATOM 0 HA GLN A 102 10.909 14.213 5.333 1.00 12.01 H new ATOM 0 HB2 GLN A 102 12.439 11.982 3.950 1.00 35.14 H new ATOM 0 HB3 GLN A 102 12.772 12.559 5.570 1.00 35.14 H new ATOM 0 HG2 GLN A 102 10.085 11.397 4.707 1.00 64.03 H new ATOM 0 HG3 GLN A 102 11.364 10.447 5.438 1.00 64.03 H new ATOM 0 HE21 GLN A 102 9.946 9.843 7.156 1.00 75.32 H new ATOM 0 HE22 GLN A 102 9.514 10.972 8.444 1.00 75.32 H new ATOM 1644 N ASN A 103 12.159 16.123 4.131 1.00 52.00 N ATOM 1645 CA ASN A 103 13.082 17.232 3.844 1.00 41.30 C ATOM 1646 C ASN A 103 13.954 17.483 5.077 1.00 75.14 C ATOM 1647 O ASN A 103 13.417 17.752 6.160 1.00 25.35 O ATOM 1648 CB ASN A 103 12.292 18.510 3.448 1.00 32.30 C ATOM 1649 CG ASN A 103 13.183 19.683 3.007 1.00 43.14 C ATOM 1650 OD1 ASN A 103 14.284 19.494 2.484 1.00 33.34 O ATOM 1651 ND2 ASN A 103 12.695 20.903 3.170 1.00 32.43 N ATOM 0 H ASN A 103 11.216 16.428 4.374 1.00 52.00 H new ATOM 0 HA ASN A 103 13.722 16.969 3.002 1.00 41.30 H new ATOM 0 HB2 ASN A 103 11.605 18.264 2.638 1.00 32.30 H new ATOM 0 HB3 ASN A 103 11.685 18.827 4.296 1.00 32.30 H new ATOM 0 HD21 ASN A 103 13.232 21.713 2.860 1.00 32.43 H new ATOM 0 HD22 ASN A 103 11.782 21.033 3.605 1.00 32.43 H new ATOM 1658 N ASN A 104 15.289 17.390 4.887 1.00 2.32 N ATOM 1659 CA ASN A 104 16.308 17.447 5.955 1.00 32.31 C ATOM 1660 C ASN A 104 16.248 16.139 6.799 1.00 23.33 C ATOM 1661 O ASN A 104 17.039 15.213 6.534 1.00 51.14 O ATOM 1662 CB ASN A 104 16.196 18.728 6.852 1.00 63.35 C ATOM 1663 CG ASN A 104 16.229 20.045 6.066 1.00 22.22 C ATOM 1664 OD1 ASN A 104 16.847 20.152 5.002 1.00 53.23 O ATOM 1665 ND2 ASN A 104 15.575 21.066 6.601 1.00 12.14 N ATOM 1666 OXT ASN A 104 15.379 16.022 7.690 1.00 37.86 O ATOM 0 H ASN A 104 15.697 17.270 3.960 1.00 2.32 H new ATOM 0 HA ASN A 104 17.285 17.522 5.477 1.00 32.31 H new ATOM 0 HB2 ASN A 104 15.268 18.680 7.422 1.00 63.35 H new ATOM 0 HB3 ASN A 104 17.013 18.727 7.573 1.00 63.35 H new ATOM 0 HD21 ASN A 104 15.573 21.972 6.133 1.00 12.14 H new ATOM 0 HD22 ASN A 104 15.074 20.946 7.481 1.00 12.14 H new TER 1673 ASN A 104