USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 854 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 59 LYS NZ :NH3+ -155:sc= 1.5 (180deg=-0.012) USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= 0.945 USER MOD Set 2.1: A 93 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.12) USER MOD Set 2.2: A 96 GLN : amide:sc= 1.11 K(o=2.3,f=0.78) USER MOD Set 3.1: A 85 LYS NZ :NH3+ -147:sc= 2 (180deg=1.04) USER MOD Set 3.2: A 91 TYR OH : rot 30:sc= 0.756 USER MOD Single : A 21 MET CE :methyl 143:sc= -0.146 (180deg=-0.795) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 1.14 (180deg=0.723) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0872) USER MOD Single : A 41 MET CE :methyl -178:sc= -0.627 (180deg=-0.682) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 75:sc= 0.494 USER MOD Single : A 60 LYS NZ :NH3+ -134:sc= -0.148 (180deg=-0.714) USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= -0.0629 (180deg=-0.362) USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0158) USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= 1.15 (180deg=0.575) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= 0.7 (180deg=0.621) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 109:sc= 1.24 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= -0.0658 USER MOD Single : A 115 LYS NZ :NH3+ -171:sc= 1.28 (180deg=1.16) USER MOD Single : A 119 LYS NZ :NH3+ -120:sc= -0.16 (180deg=-1.27) USER MOD Single : A 122 SER OG : rot -129:sc= -1.9! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -7.822 -13.810 3.748 1.00 0.86 N ATOM 2 CA MET A 21 -7.326 -12.424 3.882 1.00 0.65 C ATOM 3 C MET A 21 -6.229 -12.156 2.863 1.00 0.55 C ATOM 4 O MET A 21 -5.172 -12.787 2.898 1.00 0.75 O ATOM 5 CB MET A 21 -6.789 -12.186 5.298 1.00 0.73 C ATOM 6 CG MET A 21 -6.174 -10.807 5.497 1.00 1.04 C ATOM 7 SD MET A 21 -5.531 -10.558 7.166 1.00 1.93 S ATOM 8 CE MET A 21 -4.318 -11.873 7.269 1.00 2.17 C ATOM 0 HA MET A 21 -8.155 -11.741 3.698 1.00 0.65 H new ATOM 0 HB2 MET A 21 -7.602 -12.318 6.012 1.00 0.73 H new ATOM 0 HB3 MET A 21 -6.040 -12.944 5.525 1.00 0.73 H new ATOM 0 HG2 MET A 21 -5.367 -10.667 4.778 1.00 1.04 H new ATOM 0 HG3 MET A 21 -6.925 -10.046 5.285 1.00 1.04 H new ATOM 0 HE1 MET A 21 -3.451 -11.525 7.830 1.00 2.17 H new ATOM 0 HE2 MET A 21 -4.756 -12.733 7.775 1.00 2.17 H new ATOM 0 HE3 MET A 21 -4.008 -12.162 6.265 1.00 2.17 H new ATOM 17 N THR A 22 -6.488 -11.242 1.941 1.00 0.43 N ATOM 18 CA THR A 22 -5.487 -10.861 0.961 1.00 0.41 C ATOM 19 C THR A 22 -4.869 -9.517 1.334 1.00 0.35 C ATOM 20 O THR A 22 -5.563 -8.610 1.799 1.00 0.38 O ATOM 21 CB THR A 22 -6.093 -10.803 -0.453 1.00 0.52 C ATOM 22 OG1 THR A 22 -6.717 -12.056 -0.757 1.00 0.82 O ATOM 23 CG2 THR A 22 -5.028 -10.509 -1.498 1.00 0.63 C ATOM 0 H THR A 22 -7.379 -10.753 1.852 1.00 0.43 H new ATOM 0 HA THR A 22 -4.704 -11.619 0.960 1.00 0.41 H new ATOM 0 HB THR A 22 -6.829 -9.999 -0.474 1.00 0.52 H new ATOM 0 HG1 THR A 22 -7.104 -12.019 -1.656 1.00 0.82 H new ATOM 0 HG21 THR A 22 -5.487 -10.474 -2.486 1.00 0.63 H new ATOM 0 HG22 THR A 22 -4.561 -9.548 -1.281 1.00 0.63 H new ATOM 0 HG23 THR A 22 -4.271 -11.293 -1.477 1.00 0.63 H new ATOM 31 N LEU A 23 -3.560 -9.407 1.154 1.00 0.32 N ATOM 32 CA LEU A 23 -2.832 -8.201 1.510 1.00 0.29 C ATOM 33 C LEU A 23 -2.372 -7.467 0.256 1.00 0.26 C ATOM 34 O LEU A 23 -1.705 -8.045 -0.608 1.00 0.30 O ATOM 35 CB LEU A 23 -1.629 -8.558 2.385 1.00 0.30 C ATOM 36 CG LEU A 23 -1.956 -9.336 3.665 1.00 0.36 C ATOM 37 CD1 LEU A 23 -0.688 -9.627 4.451 1.00 0.39 C ATOM 38 CD2 LEU A 23 -2.946 -8.567 4.527 1.00 0.39 C ATOM 0 H LEU A 23 -2.978 -10.146 0.760 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.496 -7.543 2.071 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -0.930 -9.147 1.790 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -1.115 -7.637 2.661 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.413 -10.283 3.378 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -0.940 -10.180 5.356 1.00 0.39 H new ATOM 0 HD12 LEU A 23 -0.009 -10.222 3.840 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.204 -8.688 4.722 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.163 -9.138 5.430 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.517 -7.603 4.802 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -3.868 -8.408 3.968 1.00 0.39 H new ATOM 50 N PHE A 24 -2.736 -6.197 0.155 1.00 0.25 N ATOM 51 CA PHE A 24 -2.396 -5.393 -1.012 1.00 0.25 C ATOM 52 C PHE A 24 -1.469 -4.255 -0.621 1.00 0.26 C ATOM 53 O PHE A 24 -1.555 -3.727 0.490 1.00 0.30 O ATOM 54 CB PHE A 24 -3.655 -4.811 -1.658 1.00 0.28 C ATOM 55 CG PHE A 24 -4.683 -5.836 -2.038 1.00 0.34 C ATOM 56 CD1 PHE A 24 -4.776 -6.295 -3.340 1.00 1.24 C ATOM 57 CD2 PHE A 24 -5.559 -6.335 -1.090 1.00 1.25 C ATOM 58 CE1 PHE A 24 -5.724 -7.232 -3.689 1.00 1.25 C ATOM 59 CE2 PHE A 24 -6.508 -7.272 -1.432 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.592 -7.722 -2.736 1.00 0.51 C ATOM 0 H PHE A 24 -3.268 -5.699 0.869 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.894 -6.044 -1.728 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -4.107 -4.098 -0.968 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -3.368 -4.254 -2.549 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -4.099 -5.915 -4.090 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -5.498 -5.985 -0.070 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -5.787 -7.583 -4.709 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -7.185 -7.655 -0.683 1.00 1.30 H new ATOM 0 HZ PHE A 24 -7.336 -8.456 -3.008 1.00 0.51 H new ATOM 70 N VAL A 25 -0.585 -3.879 -1.531 1.00 0.29 N ATOM 71 CA VAL A 25 0.305 -2.754 -1.305 1.00 0.31 C ATOM 72 C VAL A 25 0.314 -1.839 -2.522 1.00 0.30 C ATOM 73 O VAL A 25 0.685 -2.258 -3.617 1.00 0.35 O ATOM 74 CB VAL A 25 1.764 -3.191 -1.033 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.579 -2.020 -0.503 1.00 1.08 C ATOM 76 CG2 VAL A 25 1.839 -4.368 -0.075 1.00 0.98 C ATOM 0 H VAL A 25 -0.465 -4.338 -2.434 1.00 0.29 H new ATOM 0 HA VAL A 25 -0.075 -2.238 -0.423 1.00 0.31 H new ATOM 0 HB VAL A 25 2.188 -3.519 -1.982 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.603 -2.344 -0.317 1.00 1.08 H new ATOM 0 HG12 VAL A 25 2.581 -1.216 -1.239 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.137 -1.660 0.426 1.00 1.08 H new ATOM 0 HG21 VAL A 25 2.882 -4.640 0.086 1.00 0.98 H new ATOM 0 HG22 VAL A 25 1.385 -4.092 0.877 1.00 0.98 H new ATOM 0 HG23 VAL A 25 1.304 -5.217 -0.500 1.00 0.98 H new ATOM 86 N LEU A 26 -0.119 -0.606 -2.340 1.00 0.34 N ATOM 87 CA LEU A 26 0.073 0.411 -3.361 1.00 0.35 C ATOM 88 C LEU A 26 1.288 1.222 -2.973 1.00 0.34 C ATOM 89 O LEU A 26 1.687 1.207 -1.810 1.00 0.36 O ATOM 90 CB LEU A 26 -1.141 1.342 -3.511 1.00 0.40 C ATOM 91 CG LEU A 26 -2.469 0.674 -3.895 1.00 0.44 C ATOM 92 CD1 LEU A 26 -2.270 -0.293 -5.046 1.00 1.18 C ATOM 93 CD2 LEU A 26 -3.104 -0.029 -2.705 1.00 1.09 C ATOM 0 H LEU A 26 -0.603 -0.284 -1.502 1.00 0.34 H new ATOM 0 HA LEU A 26 0.205 -0.084 -4.323 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -1.284 1.871 -2.569 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.905 2.092 -4.265 1.00 0.40 H new ATOM 0 HG LEU A 26 -3.153 1.459 -4.218 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -3.223 -0.755 -5.302 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.884 0.246 -5.911 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -1.559 -1.066 -4.753 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -4.042 -0.491 -3.013 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -2.427 -0.797 -2.332 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -3.299 0.697 -1.915 1.00 1.09 H new ATOM 105 N ILE A 27 1.889 1.914 -3.918 1.00 0.34 N ATOM 106 CA ILE A 27 3.071 2.688 -3.609 1.00 0.32 C ATOM 107 C ILE A 27 3.199 3.910 -4.509 1.00 0.30 C ATOM 108 O ILE A 27 3.190 3.797 -5.735 1.00 0.36 O ATOM 109 CB ILE A 27 4.352 1.813 -3.692 1.00 0.33 C ATOM 110 CG1 ILE A 27 5.607 2.622 -3.345 1.00 0.33 C ATOM 111 CG2 ILE A 27 4.496 1.189 -5.069 1.00 0.35 C ATOM 112 CD1 ILE A 27 6.859 1.775 -3.243 1.00 0.55 C ATOM 0 H ILE A 27 1.585 1.957 -4.891 1.00 0.34 H new ATOM 0 HA ILE A 27 2.962 3.042 -2.584 1.00 0.32 H new ATOM 0 HB ILE A 27 4.248 1.015 -2.957 1.00 0.33 H new ATOM 0 HG12 ILE A 27 5.757 3.389 -4.104 1.00 0.33 H new ATOM 0 HG13 ILE A 27 5.448 3.138 -2.398 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.401 0.582 -5.100 1.00 0.35 H new ATOM 0 HG22 ILE A 27 3.630 0.561 -5.276 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.561 1.976 -5.820 1.00 0.35 H new ATOM 0 HD11 ILE A 27 7.709 2.411 -2.995 1.00 0.55 H new ATOM 0 HD12 ILE A 27 6.728 1.024 -2.464 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.042 1.280 -4.197 1.00 0.55 H new ATOM 124 N LEU A 28 3.272 5.087 -3.896 1.00 0.30 N ATOM 125 CA LEU A 28 3.653 6.279 -4.627 1.00 0.36 C ATOM 126 C LEU A 28 5.023 6.715 -4.161 1.00 0.38 C ATOM 127 O LEU A 28 5.173 7.604 -3.317 1.00 0.41 O ATOM 128 CB LEU A 28 2.650 7.411 -4.414 1.00 0.46 C ATOM 129 CG LEU A 28 1.762 7.712 -5.614 1.00 0.62 C ATOM 130 CD1 LEU A 28 0.801 6.571 -5.870 1.00 1.24 C ATOM 131 CD2 LEU A 28 1.000 9.005 -5.408 1.00 1.18 C ATOM 0 H LEU A 28 3.074 5.235 -2.906 1.00 0.30 H new ATOM 0 HA LEU A 28 3.668 6.047 -5.692 1.00 0.36 H new ATOM 0 HB2 LEU A 28 2.015 7.160 -3.564 1.00 0.46 H new ATOM 0 HB3 LEU A 28 3.196 8.316 -4.148 1.00 0.46 H new ATOM 0 HG LEU A 28 2.404 7.825 -6.488 1.00 0.62 H new ATOM 0 HD11 LEU A 28 0.177 6.808 -6.732 1.00 1.24 H new ATOM 0 HD12 LEU A 28 1.364 5.659 -6.069 1.00 1.24 H new ATOM 0 HD13 LEU A 28 0.170 6.424 -4.994 1.00 1.24 H new ATOM 0 HD21 LEU A 28 0.372 9.200 -6.278 1.00 1.18 H new ATOM 0 HD22 LEU A 28 0.374 8.921 -4.520 1.00 1.18 H new ATOM 0 HD23 LEU A 28 1.705 9.826 -5.278 1.00 1.18 H new ATOM 143 N SER A 29 6.013 6.043 -4.696 1.00 0.44 N ATOM 144 CA SER A 29 7.398 6.366 -4.461 1.00 0.56 C ATOM 145 C SER A 29 8.202 5.994 -5.691 1.00 0.68 C ATOM 146 O SER A 29 7.879 4.997 -6.343 1.00 1.05 O ATOM 147 CB SER A 29 7.900 5.609 -3.236 1.00 0.61 C ATOM 148 OG SER A 29 7.210 6.016 -2.067 1.00 1.27 O ATOM 0 H SER A 29 5.877 5.245 -5.316 1.00 0.44 H new ATOM 0 HA SER A 29 7.510 7.434 -4.272 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.766 4.538 -3.387 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.969 5.782 -3.110 1.00 0.61 H new ATOM 0 HG SER A 29 7.549 5.515 -1.296 1.00 1.27 H new ATOM 154 N ASN A 30 9.223 6.756 -6.036 1.00 0.60 N ATOM 155 CA ASN A 30 10.126 6.286 -7.069 1.00 0.67 C ATOM 156 C ASN A 30 11.564 6.699 -6.810 1.00 0.64 C ATOM 157 O ASN A 30 12.009 7.776 -7.207 1.00 0.68 O ATOM 158 CB ASN A 30 9.684 6.793 -8.442 1.00 0.79 C ATOM 159 CG ASN A 30 10.563 6.277 -9.569 1.00 1.85 C ATOM 160 OD1 ASN A 30 11.129 5.188 -9.491 1.00 2.75 O ATOM 161 ND2 ASN A 30 10.674 7.052 -10.631 1.00 2.45 N ATOM 0 H ASN A 30 9.443 7.668 -5.635 1.00 0.60 H new ATOM 0 HA ASN A 30 10.085 5.197 -7.051 1.00 0.67 H new ATOM 0 HB2 ASN A 30 8.653 6.489 -8.622 1.00 0.79 H new ATOM 0 HB3 ASN A 30 9.700 7.883 -8.445 1.00 0.79 H new ATOM 0 HD21 ASN A 30 11.244 6.754 -11.423 1.00 2.45 H new ATOM 0 HD22 ASN A 30 10.190 7.949 -10.660 1.00 2.45 H new ATOM 168 N ASP A 31 12.266 5.832 -6.106 1.00 0.63 N ATOM 169 CA ASP A 31 13.710 5.741 -6.178 1.00 0.67 C ATOM 170 C ASP A 31 14.035 4.350 -6.694 1.00 0.72 C ATOM 171 O ASP A 31 13.326 3.404 -6.337 1.00 0.81 O ATOM 172 CB ASP A 31 14.368 6.008 -4.819 1.00 0.72 C ATOM 173 CG ASP A 31 15.864 5.754 -4.828 1.00 0.92 C ATOM 174 OD1 ASP A 31 16.283 4.611 -4.542 1.00 1.45 O ATOM 175 OD2 ASP A 31 16.626 6.697 -5.120 1.00 1.57 O ATOM 0 H ASP A 31 11.844 5.164 -5.461 1.00 0.63 H new ATOM 0 HA ASP A 31 14.107 6.504 -6.848 1.00 0.67 H new ATOM 0 HB2 ASP A 31 14.182 7.042 -4.527 1.00 0.72 H new ATOM 0 HB3 ASP A 31 13.901 5.375 -4.064 1.00 0.72 H new ATOM 180 N LYS A 32 15.048 4.194 -7.527 1.00 0.78 N ATOM 181 CA LYS A 32 15.318 2.880 -8.106 1.00 0.82 C ATOM 182 C LYS A 32 15.571 1.843 -7.010 1.00 0.79 C ATOM 183 O LYS A 32 14.977 0.761 -7.026 1.00 0.81 O ATOM 184 CB LYS A 32 16.499 2.921 -9.083 1.00 0.99 C ATOM 185 CG LYS A 32 16.189 3.576 -10.426 1.00 1.10 C ATOM 186 CD LYS A 32 16.052 5.086 -10.313 1.00 1.61 C ATOM 187 CE LYS A 32 15.817 5.730 -11.671 1.00 2.22 C ATOM 188 NZ LYS A 32 15.773 7.213 -11.582 1.00 2.93 N ATOM 0 H LYS A 32 15.685 4.936 -7.815 1.00 0.78 H new ATOM 0 HA LYS A 32 14.431 2.587 -8.668 1.00 0.82 H new ATOM 0 HB2 LYS A 32 17.324 3.457 -8.614 1.00 0.99 H new ATOM 0 HB3 LYS A 32 16.842 1.902 -9.261 1.00 0.99 H new ATOM 0 HG2 LYS A 32 16.981 3.337 -11.136 1.00 1.10 H new ATOM 0 HG3 LYS A 32 15.265 3.158 -10.827 1.00 1.10 H new ATOM 0 HD2 LYS A 32 15.224 5.328 -9.647 1.00 1.61 H new ATOM 0 HD3 LYS A 32 16.954 5.501 -9.864 1.00 1.61 H new ATOM 0 HE2 LYS A 32 16.610 5.431 -12.356 1.00 2.22 H new ATOM 0 HE3 LYS A 32 14.879 5.364 -12.089 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 15.611 7.613 -12.528 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 15.000 7.500 -10.948 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 16.677 7.565 -11.207 1.00 2.93 H new ATOM 202 N LYS A 33 16.405 2.198 -6.039 1.00 0.84 N ATOM 203 CA LYS A 33 16.741 1.294 -4.938 1.00 0.86 C ATOM 204 C LYS A 33 15.540 1.109 -4.020 1.00 0.74 C ATOM 205 O LYS A 33 15.248 -0.002 -3.577 1.00 0.70 O ATOM 206 CB LYS A 33 17.907 1.855 -4.127 1.00 1.02 C ATOM 207 CG LYS A 33 19.116 2.228 -4.965 1.00 1.56 C ATOM 208 CD LYS A 33 20.196 2.898 -4.127 1.00 2.24 C ATOM 209 CE LYS A 33 19.656 4.090 -3.342 1.00 2.94 C ATOM 210 NZ LYS A 33 18.956 5.077 -4.212 1.00 3.44 N ATOM 0 H LYS A 33 16.864 3.108 -5.989 1.00 0.84 H new ATOM 0 HA LYS A 33 17.025 0.331 -5.363 1.00 0.86 H new ATOM 0 HB2 LYS A 33 17.568 2.737 -3.584 1.00 1.02 H new ATOM 0 HB3 LYS A 33 18.207 1.118 -3.382 1.00 1.02 H new ATOM 0 HG2 LYS A 33 19.523 1.333 -5.435 1.00 1.56 H new ATOM 0 HG3 LYS A 33 18.810 2.899 -5.768 1.00 1.56 H new ATOM 0 HD2 LYS A 33 20.621 2.171 -3.435 1.00 2.24 H new ATOM 0 HD3 LYS A 33 21.006 3.229 -4.777 1.00 2.24 H new ATOM 0 HE2 LYS A 33 18.968 3.734 -2.575 1.00 2.94 H new ATOM 0 HE3 LYS A 33 20.479 4.585 -2.827 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 18.743 5.934 -3.663 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 19.566 5.324 -5.017 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 18.070 4.662 -4.564 1.00 3.44 H new ATOM 224 N LEU A 34 14.858 2.216 -3.743 1.00 0.72 N ATOM 225 CA LEU A 34 13.660 2.213 -2.908 1.00 0.64 C ATOM 226 C LEU A 34 12.653 1.187 -3.398 1.00 0.58 C ATOM 227 O LEU A 34 12.181 0.352 -2.631 1.00 0.62 O ATOM 228 CB LEU A 34 13.021 3.603 -2.917 1.00 0.63 C ATOM 229 CG LEU A 34 11.672 3.730 -2.208 1.00 0.69 C ATOM 230 CD1 LEU A 34 11.770 3.309 -0.765 1.00 1.37 C ATOM 231 CD2 LEU A 34 11.162 5.155 -2.310 1.00 1.46 C ATOM 0 H LEU A 34 15.119 3.139 -4.090 1.00 0.72 H new ATOM 0 HA LEU A 34 13.954 1.948 -1.892 1.00 0.64 H new ATOM 0 HB2 LEU A 34 13.718 4.303 -2.456 1.00 0.63 H new ATOM 0 HB3 LEU A 34 12.894 3.915 -3.954 1.00 0.63 H new ATOM 0 HG LEU A 34 10.965 3.063 -2.702 1.00 0.69 H new ATOM 0 HD11 LEU A 34 10.795 3.411 -0.289 1.00 1.37 H new ATOM 0 HD12 LEU A 34 12.093 2.270 -0.710 1.00 1.37 H new ATOM 0 HD13 LEU A 34 12.493 3.941 -0.250 1.00 1.37 H new ATOM 0 HD21 LEU A 34 10.201 5.235 -1.802 1.00 1.46 H new ATOM 0 HD22 LEU A 34 11.877 5.832 -1.842 1.00 1.46 H new ATOM 0 HD23 LEU A 34 11.041 5.424 -3.359 1.00 1.46 H new ATOM 243 N ILE A 35 12.337 1.254 -4.682 1.00 0.54 N ATOM 244 CA ILE A 35 11.359 0.356 -5.271 1.00 0.52 C ATOM 245 C ILE A 35 11.833 -1.094 -5.193 1.00 0.55 C ATOM 246 O ILE A 35 11.031 -2.004 -4.981 1.00 0.58 O ATOM 247 CB ILE A 35 11.054 0.751 -6.734 1.00 0.56 C ATOM 248 CG1 ILE A 35 10.296 2.081 -6.771 1.00 0.57 C ATOM 249 CG2 ILE A 35 10.264 -0.336 -7.451 1.00 0.61 C ATOM 250 CD1 ILE A 35 9.935 2.535 -8.168 1.00 0.69 C ATOM 0 H ILE A 35 12.745 1.922 -5.336 1.00 0.54 H new ATOM 0 HA ILE A 35 10.437 0.445 -4.697 1.00 0.52 H new ATOM 0 HB ILE A 35 12.002 0.868 -7.259 1.00 0.56 H new ATOM 0 HG12 ILE A 35 9.384 1.986 -6.182 1.00 0.57 H new ATOM 0 HG13 ILE A 35 10.904 2.850 -6.294 1.00 0.57 H new ATOM 0 HG21 ILE A 35 10.067 -0.026 -8.477 1.00 0.61 H new ATOM 0 HG22 ILE A 35 10.840 -1.261 -7.456 1.00 0.61 H new ATOM 0 HG23 ILE A 35 9.319 -0.500 -6.934 1.00 0.61 H new ATOM 0 HD11 ILE A 35 9.400 3.483 -8.116 1.00 0.69 H new ATOM 0 HD12 ILE A 35 10.844 2.663 -8.755 1.00 0.69 H new ATOM 0 HD13 ILE A 35 9.300 1.786 -8.641 1.00 0.69 H new ATOM 262 N GLU A 36 13.140 -1.302 -5.338 1.00 0.59 N ATOM 263 CA GLU A 36 13.710 -2.636 -5.223 1.00 0.66 C ATOM 264 C GLU A 36 13.459 -3.199 -3.833 1.00 0.62 C ATOM 265 O GLU A 36 12.762 -4.197 -3.680 1.00 0.62 O ATOM 266 CB GLU A 36 15.213 -2.624 -5.496 1.00 0.79 C ATOM 267 CG GLU A 36 15.582 -2.256 -6.919 1.00 0.76 C ATOM 268 CD GLU A 36 17.065 -2.393 -7.173 1.00 1.34 C ATOM 269 OE1 GLU A 36 17.467 -3.381 -7.822 1.00 2.15 O ATOM 270 OE2 GLU A 36 17.839 -1.522 -6.721 1.00 1.87 O ATOM 0 H GLU A 36 13.818 -0.566 -5.534 1.00 0.59 H new ATOM 0 HA GLU A 36 13.225 -3.266 -5.969 1.00 0.66 H new ATOM 0 HB2 GLU A 36 15.689 -1.919 -4.815 1.00 0.79 H new ATOM 0 HB3 GLU A 36 15.620 -3.610 -5.270 1.00 0.79 H new ATOM 0 HG2 GLU A 36 15.035 -2.895 -7.612 1.00 0.76 H new ATOM 0 HG3 GLU A 36 15.273 -1.230 -7.120 1.00 0.76 H new ATOM 277 N GLU A 37 14.011 -2.532 -2.823 1.00 0.62 N ATOM 278 CA GLU A 37 13.892 -2.981 -1.440 1.00 0.65 C ATOM 279 C GLU A 37 12.426 -3.095 -1.020 1.00 0.56 C ATOM 280 O GLU A 37 12.065 -3.968 -0.229 1.00 0.57 O ATOM 281 CB GLU A 37 14.648 -2.030 -0.506 1.00 0.73 C ATOM 282 CG GLU A 37 16.159 -2.072 -0.699 1.00 0.85 C ATOM 283 CD GLU A 37 16.903 -1.102 0.199 1.00 1.30 C ATOM 284 OE1 GLU A 37 17.097 -1.412 1.399 1.00 2.05 O ATOM 285 OE2 GLU A 37 17.325 -0.035 -0.293 1.00 1.84 O ATOM 0 H GLU A 37 14.549 -1.673 -2.939 1.00 0.62 H new ATOM 0 HA GLU A 37 14.338 -3.973 -1.366 1.00 0.65 H new ATOM 0 HB2 GLU A 37 14.295 -1.012 -0.672 1.00 0.73 H new ATOM 0 HB3 GLU A 37 14.413 -2.284 0.528 1.00 0.73 H new ATOM 0 HG2 GLU A 37 16.516 -3.084 -0.505 1.00 0.85 H new ATOM 0 HG3 GLU A 37 16.392 -1.846 -1.739 1.00 0.85 H new ATOM 292 N ALA A 38 11.587 -2.222 -1.564 1.00 0.51 N ATOM 293 CA ALA A 38 10.159 -2.266 -1.290 1.00 0.46 C ATOM 294 C ALA A 38 9.531 -3.530 -1.869 1.00 0.42 C ATOM 295 O ALA A 38 8.908 -4.310 -1.144 1.00 0.43 O ATOM 296 CB ALA A 38 9.470 -1.028 -1.846 1.00 0.50 C ATOM 0 H ALA A 38 11.873 -1.475 -2.198 1.00 0.51 H new ATOM 0 HA ALA A 38 10.023 -2.283 -0.209 1.00 0.46 H new ATOM 0 HB1 ALA A 38 8.402 -1.079 -1.632 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.892 -0.137 -1.381 1.00 0.50 H new ATOM 0 HB3 ALA A 38 9.622 -0.981 -2.924 1.00 0.50 H new ATOM 302 N ARG A 39 9.707 -3.746 -3.171 1.00 0.43 N ATOM 303 CA ARG A 39 9.102 -4.901 -3.820 1.00 0.45 C ATOM 304 C ARG A 39 9.698 -6.192 -3.297 1.00 0.45 C ATOM 305 O ARG A 39 8.969 -7.135 -3.067 1.00 0.49 O ATOM 306 CB ARG A 39 9.253 -4.862 -5.341 1.00 0.53 C ATOM 307 CG ARG A 39 8.631 -6.075 -6.036 1.00 0.60 C ATOM 308 CD ARG A 39 8.749 -5.963 -7.547 1.00 0.77 C ATOM 309 NE ARG A 39 8.033 -4.795 -8.063 1.00 1.46 N ATOM 310 CZ ARG A 39 8.466 -4.038 -9.071 1.00 1.90 C ATOM 311 NH1 ARG A 39 9.598 -4.342 -9.697 1.00 1.82 N ATOM 312 NH2 ARG A 39 7.761 -2.978 -9.456 1.00 2.96 N ATOM 0 H ARG A 39 10.255 -3.145 -3.787 1.00 0.43 H new ATOM 0 HA ARG A 39 8.039 -4.862 -3.581 1.00 0.45 H new ATOM 0 HB2 ARG A 39 8.788 -3.953 -5.723 1.00 0.53 H new ATOM 0 HB3 ARG A 39 10.312 -4.809 -5.594 1.00 0.53 H new ATOM 0 HG2 ARG A 39 9.125 -6.985 -5.696 1.00 0.60 H new ATOM 0 HG3 ARG A 39 7.581 -6.159 -5.756 1.00 0.60 H new ATOM 0 HD2 ARG A 39 9.801 -5.897 -7.826 1.00 0.77 H new ATOM 0 HD3 ARG A 39 8.353 -6.866 -8.011 1.00 0.77 H new ATOM 0 HE ARG A 39 7.147 -4.545 -7.624 1.00 1.46 H new ATOM 0 HH11 ARG A 39 10.138 -5.157 -9.407 1.00 1.82 H new ATOM 0 HH12 ARG A 39 9.926 -3.761 -10.468 1.00 1.82 H new ATOM 0 HH21 ARG A 39 6.890 -2.745 -8.980 1.00 2.96 H new ATOM 0 HH22 ARG A 39 8.092 -2.398 -10.227 1.00 2.96 H new ATOM 326 N LYS A 40 11.016 -6.224 -3.103 1.00 0.49 N ATOM 327 CA LYS A 40 11.706 -7.439 -2.654 1.00 0.55 C ATOM 328 C LYS A 40 11.010 -8.070 -1.455 1.00 0.49 C ATOM 329 O LYS A 40 10.874 -9.291 -1.377 1.00 0.54 O ATOM 330 CB LYS A 40 13.161 -7.135 -2.296 1.00 0.70 C ATOM 331 CG LYS A 40 14.051 -6.883 -3.500 1.00 0.85 C ATOM 332 CD LYS A 40 15.444 -6.446 -3.075 1.00 1.27 C ATOM 333 CE LYS A 40 16.351 -6.228 -4.274 1.00 1.34 C ATOM 334 NZ LYS A 40 16.665 -7.498 -4.977 1.00 1.88 N ATOM 0 H LYS A 40 11.630 -5.423 -3.249 1.00 0.49 H new ATOM 0 HA LYS A 40 11.678 -8.148 -3.482 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.190 -6.261 -1.646 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.567 -7.970 -1.725 1.00 0.70 H new ATOM 0 HG2 LYS A 40 14.119 -7.790 -4.101 1.00 0.85 H new ATOM 0 HG3 LYS A 40 13.604 -6.116 -4.132 1.00 0.85 H new ATOM 0 HD2 LYS A 40 15.376 -5.525 -2.497 1.00 1.27 H new ATOM 0 HD3 LYS A 40 15.879 -7.202 -2.421 1.00 1.27 H new ATOM 0 HE2 LYS A 40 15.872 -5.538 -4.969 1.00 1.34 H new ATOM 0 HE3 LYS A 40 17.278 -5.757 -3.946 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 17.402 -7.327 -5.690 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 17.005 -8.201 -4.290 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 15.808 -7.857 -5.444 1.00 1.88 H new ATOM 348 N MET A 41 10.552 -7.234 -0.534 1.00 0.45 N ATOM 349 CA MET A 41 9.888 -7.724 0.663 1.00 0.46 C ATOM 350 C MET A 41 8.522 -8.307 0.331 1.00 0.41 C ATOM 351 O MET A 41 8.198 -9.408 0.759 1.00 0.46 O ATOM 352 CB MET A 41 9.751 -6.613 1.699 1.00 0.57 C ATOM 353 CG MET A 41 11.085 -6.030 2.120 1.00 0.89 C ATOM 354 SD MET A 41 12.305 -7.304 2.500 1.00 1.10 S ATOM 355 CE MET A 41 13.739 -6.299 2.866 1.00 1.68 C ATOM 0 H MET A 41 10.628 -6.219 -0.593 1.00 0.45 H new ATOM 0 HA MET A 41 10.505 -8.518 1.084 1.00 0.46 H new ATOM 0 HB2 MET A 41 9.126 -5.819 1.292 1.00 0.57 H new ATOM 0 HB3 MET A 41 9.238 -7.004 2.578 1.00 0.57 H new ATOM 0 HG2 MET A 41 11.467 -5.392 1.323 1.00 0.89 H new ATOM 0 HG3 MET A 41 10.941 -5.396 2.995 1.00 0.89 H new ATOM 0 HE1 MET A 41 14.589 -6.945 3.086 1.00 1.68 H new ATOM 0 HE2 MET A 41 13.973 -5.671 2.006 1.00 1.68 H new ATOM 0 HE3 MET A 41 13.530 -5.668 3.730 1.00 1.68 H new ATOM 365 N ALA A 42 7.735 -7.579 -0.448 1.00 0.37 N ATOM 366 CA ALA A 42 6.405 -8.040 -0.839 1.00 0.39 C ATOM 367 C ALA A 42 6.499 -9.193 -1.833 1.00 0.42 C ATOM 368 O ALA A 42 5.603 -10.030 -1.919 1.00 0.49 O ATOM 369 CB ALA A 42 5.606 -6.899 -1.437 1.00 0.43 C ATOM 0 H ALA A 42 7.992 -6.666 -0.823 1.00 0.37 H new ATOM 0 HA ALA A 42 5.894 -8.398 0.055 1.00 0.39 H new ATOM 0 HB1 ALA A 42 4.617 -7.258 -1.723 1.00 0.43 H new ATOM 0 HB2 ALA A 42 5.503 -6.102 -0.701 1.00 0.43 H new ATOM 0 HB3 ALA A 42 6.122 -6.516 -2.317 1.00 0.43 H new ATOM 375 N GLU A 43 7.593 -9.218 -2.574 1.00 0.45 N ATOM 376 CA GLU A 43 7.872 -10.268 -3.536 1.00 0.59 C ATOM 377 C GLU A 43 8.097 -11.579 -2.790 1.00 0.63 C ATOM 378 O GLU A 43 7.644 -12.648 -3.201 1.00 0.75 O ATOM 379 CB GLU A 43 9.120 -9.903 -4.347 1.00 0.71 C ATOM 380 CG GLU A 43 9.370 -10.805 -5.540 1.00 0.87 C ATOM 381 CD GLU A 43 8.337 -10.629 -6.630 1.00 1.66 C ATOM 382 OE1 GLU A 43 7.335 -11.372 -6.636 1.00 2.36 O ATOM 383 OE2 GLU A 43 8.527 -9.753 -7.495 1.00 2.41 O ATOM 0 H GLU A 43 8.319 -8.503 -2.524 1.00 0.45 H new ATOM 0 HA GLU A 43 7.029 -10.380 -4.218 1.00 0.59 H new ATOM 0 HB2 GLU A 43 9.025 -8.875 -4.696 1.00 0.71 H new ATOM 0 HB3 GLU A 43 9.989 -9.938 -3.691 1.00 0.71 H new ATOM 0 HG2 GLU A 43 10.360 -10.598 -5.946 1.00 0.87 H new ATOM 0 HG3 GLU A 43 9.372 -11.844 -5.211 1.00 0.87 H new ATOM 390 N LYS A 44 8.804 -11.461 -1.675 1.00 0.60 N ATOM 391 CA LYS A 44 9.096 -12.581 -0.793 1.00 0.70 C ATOM 392 C LYS A 44 7.890 -12.912 0.081 1.00 0.66 C ATOM 393 O LYS A 44 7.626 -14.073 0.389 1.00 0.75 O ATOM 394 CB LYS A 44 10.297 -12.216 0.071 1.00 0.81 C ATOM 395 CG LYS A 44 10.694 -13.273 1.082 1.00 1.39 C ATOM 396 CD LYS A 44 12.011 -12.904 1.725 1.00 2.35 C ATOM 397 CE LYS A 44 12.387 -13.857 2.845 1.00 3.19 C ATOM 398 NZ LYS A 44 13.643 -13.436 3.522 1.00 3.63 N ATOM 0 H LYS A 44 9.195 -10.575 -1.354 1.00 0.60 H new ATOM 0 HA LYS A 44 9.323 -13.465 -1.389 1.00 0.70 H new ATOM 0 HB2 LYS A 44 11.149 -12.017 -0.580 1.00 0.81 H new ATOM 0 HB3 LYS A 44 10.078 -11.289 0.601 1.00 0.81 H new ATOM 0 HG2 LYS A 44 9.921 -13.367 1.845 1.00 1.39 H new ATOM 0 HG3 LYS A 44 10.778 -14.243 0.592 1.00 1.39 H new ATOM 0 HD2 LYS A 44 12.796 -12.906 0.969 1.00 2.35 H new ATOM 0 HD3 LYS A 44 11.950 -11.889 2.118 1.00 2.35 H new ATOM 0 HE2 LYS A 44 11.577 -13.901 3.573 1.00 3.19 H new ATOM 0 HE3 LYS A 44 12.509 -14.863 2.443 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 13.870 -14.109 4.282 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 14.420 -13.418 2.831 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 13.518 -12.486 3.927 1.00 3.63 H new ATOM 412 N ALA A 45 7.157 -11.878 0.464 1.00 0.57 N ATOM 413 CA ALA A 45 6.017 -12.027 1.355 1.00 0.59 C ATOM 414 C ALA A 45 4.755 -12.430 0.597 1.00 0.59 C ATOM 415 O ALA A 45 3.717 -12.701 1.198 1.00 0.66 O ATOM 416 CB ALA A 45 5.788 -10.740 2.129 1.00 0.56 C ATOM 0 H ALA A 45 7.334 -10.918 0.168 1.00 0.57 H new ATOM 0 HA ALA A 45 6.244 -12.829 2.057 1.00 0.59 H new ATOM 0 HB1 ALA A 45 4.932 -10.862 2.793 1.00 0.56 H new ATOM 0 HB2 ALA A 45 6.675 -10.507 2.719 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.592 -9.926 1.431 1.00 0.56 H new ATOM 422 N ASN A 46 4.870 -12.468 -0.730 1.00 0.56 N ATOM 423 CA ASN A 46 3.769 -12.852 -1.614 1.00 0.60 C ATOM 424 C ASN A 46 2.590 -11.900 -1.474 1.00 0.54 C ATOM 425 O ASN A 46 1.442 -12.325 -1.363 1.00 0.63 O ATOM 426 CB ASN A 46 3.316 -14.293 -1.345 1.00 0.76 C ATOM 427 CG ASN A 46 4.369 -15.315 -1.722 1.00 1.41 C ATOM 428 OD1 ASN A 46 4.430 -15.768 -2.866 1.00 2.03 O ATOM 429 ND2 ASN A 46 5.196 -15.695 -0.766 1.00 2.18 N ATOM 0 H ASN A 46 5.731 -12.233 -1.224 1.00 0.56 H new ATOM 0 HA ASN A 46 4.142 -12.792 -2.637 1.00 0.60 H new ATOM 0 HB2 ASN A 46 3.071 -14.402 -0.288 1.00 0.76 H new ATOM 0 HB3 ASN A 46 2.403 -14.494 -1.906 1.00 0.76 H new ATOM 0 HD21 ASN A 46 5.918 -16.388 -0.962 1.00 2.18 H new ATOM 0 HD22 ASN A 46 5.113 -15.296 0.169 1.00 2.18 H new ATOM 436 N LEU A 47 2.876 -10.609 -1.490 1.00 0.44 N ATOM 437 CA LEU A 47 1.830 -9.603 -1.369 1.00 0.42 C ATOM 438 C LEU A 47 1.509 -9.033 -2.735 1.00 0.41 C ATOM 439 O LEU A 47 2.354 -9.049 -3.634 1.00 0.58 O ATOM 440 CB LEU A 47 2.264 -8.462 -0.453 1.00 0.43 C ATOM 441 CG LEU A 47 2.853 -8.869 0.892 1.00 0.45 C ATOM 442 CD1 LEU A 47 3.217 -7.626 1.678 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.881 -9.731 1.679 1.00 0.59 C ATOM 0 H LEU A 47 3.819 -10.232 -1.585 1.00 0.44 H new ATOM 0 HA LEU A 47 0.951 -10.085 -0.941 1.00 0.42 H new ATOM 0 HB2 LEU A 47 3.002 -7.859 -0.982 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.401 -7.822 -0.270 1.00 0.43 H new ATOM 0 HG LEU A 47 3.750 -9.462 0.716 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.639 -7.915 2.641 1.00 0.47 H new ATOM 0 HD12 LEU A 47 3.951 -7.045 1.120 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.323 -7.023 1.839 1.00 0.47 H new ATOM 0 HD21 LEU A 47 2.329 -10.006 2.634 1.00 0.59 H new ATOM 0 HD22 LEU A 47 0.962 -9.173 1.857 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.654 -10.634 1.112 1.00 0.59 H new ATOM 455 N ILE A 48 0.305 -8.518 -2.896 1.00 0.30 N ATOM 456 CA ILE A 48 -0.070 -7.908 -4.154 1.00 0.32 C ATOM 457 C ILE A 48 0.353 -6.447 -4.167 1.00 0.32 C ATOM 458 O ILE A 48 -0.385 -5.559 -3.734 1.00 0.33 O ATOM 459 CB ILE A 48 -1.582 -8.037 -4.444 1.00 0.36 C ATOM 460 CG1 ILE A 48 -1.994 -9.514 -4.419 1.00 0.40 C ATOM 461 CG2 ILE A 48 -1.923 -7.408 -5.792 1.00 0.43 C ATOM 462 CD1 ILE A 48 -3.455 -9.751 -4.735 1.00 0.53 C ATOM 0 H ILE A 48 -0.421 -8.510 -2.180 1.00 0.30 H new ATOM 0 HA ILE A 48 0.450 -8.445 -4.947 1.00 0.32 H new ATOM 0 HB ILE A 48 -2.136 -7.505 -3.671 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -1.384 -10.063 -5.136 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.775 -9.925 -3.434 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -2.992 -7.508 -5.980 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.654 -6.352 -5.779 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -1.367 -7.914 -6.581 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -3.667 -10.820 -4.697 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -4.074 -9.232 -4.003 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -3.678 -9.372 -5.733 1.00 0.53 H new ATOM 474 N LEU A 49 1.568 -6.221 -4.636 1.00 0.34 N ATOM 475 CA LEU A 49 2.141 -4.889 -4.707 1.00 0.35 C ATOM 476 C LEU A 49 1.922 -4.294 -6.090 1.00 0.35 C ATOM 477 O LEU A 49 2.347 -4.860 -7.097 1.00 0.44 O ATOM 478 CB LEU A 49 3.637 -4.958 -4.379 1.00 0.44 C ATOM 479 CG LEU A 49 4.442 -3.674 -4.612 1.00 0.58 C ATOM 480 CD1 LEU A 49 3.967 -2.554 -3.710 1.00 0.90 C ATOM 481 CD2 LEU A 49 5.911 -3.933 -4.363 1.00 1.14 C ATOM 0 H LEU A 49 2.185 -6.957 -4.979 1.00 0.34 H new ATOM 0 HA LEU A 49 1.648 -4.245 -3.979 1.00 0.35 H new ATOM 0 HB2 LEU A 49 3.745 -5.245 -3.333 1.00 0.44 H new ATOM 0 HB3 LEU A 49 4.082 -5.754 -4.976 1.00 0.44 H new ATOM 0 HG LEU A 49 4.291 -3.368 -5.647 1.00 0.58 H new ATOM 0 HD11 LEU A 49 4.558 -1.658 -3.900 1.00 0.90 H new ATOM 0 HD12 LEU A 49 2.916 -2.345 -3.912 1.00 0.90 H new ATOM 0 HD13 LEU A 49 4.084 -2.852 -2.668 1.00 0.90 H new ATOM 0 HD21 LEU A 49 6.476 -3.016 -4.531 1.00 1.14 H new ATOM 0 HD22 LEU A 49 6.053 -4.263 -3.334 1.00 1.14 H new ATOM 0 HD23 LEU A 49 6.265 -4.707 -5.045 1.00 1.14 H new ATOM 493 N ILE A 50 1.243 -3.162 -6.135 1.00 0.33 N ATOM 494 CA ILE A 50 0.988 -2.475 -7.388 1.00 0.34 C ATOM 495 C ILE A 50 1.783 -1.174 -7.430 1.00 0.32 C ATOM 496 O ILE A 50 1.429 -0.193 -6.774 1.00 0.36 O ATOM 497 CB ILE A 50 -0.516 -2.174 -7.575 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.350 -3.441 -7.339 1.00 0.48 C ATOM 499 CG2 ILE A 50 -0.771 -1.623 -8.972 1.00 0.46 C ATOM 500 CD1 ILE A 50 -2.845 -3.199 -7.355 1.00 0.94 C ATOM 0 H ILE A 50 0.856 -2.697 -5.314 1.00 0.33 H new ATOM 0 HA ILE A 50 1.303 -3.129 -8.201 1.00 0.34 H new ATOM 0 HB ILE A 50 -0.815 -1.424 -6.843 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -1.102 -4.176 -8.105 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -1.072 -3.875 -6.379 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -1.834 -1.415 -9.092 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.203 -0.703 -9.110 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -0.459 -2.357 -9.715 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -3.368 -4.140 -7.182 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -3.107 -2.488 -6.571 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -3.138 -2.795 -8.324 1.00 0.94 H new ATOM 512 N THR A 51 2.872 -1.181 -8.182 1.00 0.32 N ATOM 513 CA THR A 51 3.756 -0.029 -8.252 1.00 0.35 C ATOM 514 C THR A 51 3.231 0.991 -9.256 1.00 0.38 C ATOM 515 O THR A 51 3.259 0.757 -10.465 1.00 0.55 O ATOM 516 CB THR A 51 5.184 -0.452 -8.651 1.00 0.47 C ATOM 517 OG1 THR A 51 5.538 -1.670 -7.977 1.00 1.17 O ATOM 518 CG2 THR A 51 6.192 0.629 -8.294 1.00 0.89 C ATOM 0 H THR A 51 3.165 -1.973 -8.753 1.00 0.32 H new ATOM 0 HA THR A 51 3.786 0.424 -7.261 1.00 0.35 H new ATOM 0 HB THR A 51 5.203 -0.606 -9.730 1.00 0.47 H new ATOM 0 HG1 THR A 51 5.073 -2.423 -8.397 1.00 1.17 H new ATOM 0 HG21 THR A 51 7.191 0.306 -8.586 1.00 0.89 H new ATOM 0 HG22 THR A 51 5.940 1.549 -8.821 1.00 0.89 H new ATOM 0 HG23 THR A 51 6.168 0.808 -7.219 1.00 0.89 H new ATOM 526 N VAL A 52 2.741 2.115 -8.755 1.00 0.39 N ATOM 527 CA VAL A 52 2.235 3.176 -9.607 1.00 0.49 C ATOM 528 C VAL A 52 2.980 4.466 -9.303 1.00 0.58 C ATOM 529 O VAL A 52 3.905 4.475 -8.489 1.00 0.80 O ATOM 530 CB VAL A 52 0.717 3.404 -9.399 1.00 0.59 C ATOM 531 CG1 VAL A 52 -0.088 2.186 -9.825 1.00 1.38 C ATOM 532 CG2 VAL A 52 0.416 3.750 -7.949 1.00 1.04 C ATOM 0 H VAL A 52 2.684 2.315 -7.756 1.00 0.39 H new ATOM 0 HA VAL A 52 2.394 2.878 -10.643 1.00 0.49 H new ATOM 0 HB VAL A 52 0.422 4.244 -10.028 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -1.149 2.378 -9.667 1.00 1.38 H new ATOM 0 HG12 VAL A 52 0.090 1.983 -10.881 1.00 1.38 H new ATOM 0 HG13 VAL A 52 0.217 1.323 -9.233 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -0.656 3.906 -7.827 1.00 1.04 H new ATOM 0 HG22 VAL A 52 0.739 2.932 -7.305 1.00 1.04 H new ATOM 0 HG23 VAL A 52 0.948 4.661 -7.674 1.00 1.04 H new ATOM 542 N GLY A 53 2.598 5.544 -9.961 1.00 0.66 N ATOM 543 CA GLY A 53 3.119 6.836 -9.596 1.00 0.75 C ATOM 544 C GLY A 53 2.288 7.958 -10.159 1.00 0.81 C ATOM 545 O GLY A 53 2.528 8.418 -11.280 1.00 1.24 O ATOM 0 H GLY A 53 1.938 5.547 -10.739 1.00 0.66 H new ATOM 0 HA2 GLY A 53 3.153 6.920 -8.510 1.00 0.75 H new ATOM 0 HA3 GLY A 53 4.144 6.928 -9.955 1.00 0.75 H new ATOM 549 N ASP A 54 1.341 8.413 -9.344 1.00 0.71 N ATOM 550 CA ASP A 54 0.466 9.541 -9.650 1.00 0.82 C ATOM 551 C ASP A 54 -0.707 9.524 -8.677 1.00 0.70 C ATOM 552 O ASP A 54 -1.110 8.458 -8.214 1.00 0.64 O ATOM 553 CB ASP A 54 -0.070 9.491 -11.085 1.00 1.08 C ATOM 554 CG ASP A 54 -0.917 10.697 -11.422 1.00 1.34 C ATOM 555 OD1 ASP A 54 -0.345 11.787 -11.630 1.00 1.75 O ATOM 556 OD2 ASP A 54 -2.157 10.565 -11.479 1.00 1.98 O ATOM 0 H ASP A 54 1.156 7.998 -8.431 1.00 0.71 H new ATOM 0 HA ASP A 54 1.049 10.457 -9.551 1.00 0.82 H new ATOM 0 HB2 ASP A 54 0.766 9.431 -11.781 1.00 1.08 H new ATOM 0 HB3 ASP A 54 -0.662 8.585 -11.218 1.00 1.08 H new ATOM 561 N GLU A 55 -1.251 10.692 -8.376 1.00 0.80 N ATOM 562 CA GLU A 55 -2.348 10.813 -7.430 1.00 0.79 C ATOM 563 C GLU A 55 -3.611 10.131 -7.926 1.00 0.69 C ATOM 564 O GLU A 55 -4.297 9.443 -7.172 1.00 0.71 O ATOM 565 CB GLU A 55 -2.614 12.286 -7.172 1.00 0.95 C ATOM 566 CG GLU A 55 -1.689 12.866 -6.122 1.00 0.90 C ATOM 567 CD GLU A 55 -2.050 12.417 -4.725 1.00 1.53 C ATOM 568 OE1 GLU A 55 -3.128 12.810 -4.234 1.00 2.16 O ATOM 569 OE2 GLU A 55 -1.258 11.677 -4.107 1.00 2.21 O ATOM 0 H GLU A 55 -0.947 11.579 -8.778 1.00 0.80 H new ATOM 0 HA GLU A 55 -2.059 10.312 -6.506 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -2.497 12.842 -8.102 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -3.648 12.415 -6.852 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -0.663 12.570 -6.342 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -1.725 13.954 -6.172 1.00 0.90 H new ATOM 576 N GLU A 56 -3.906 10.309 -9.197 1.00 0.70 N ATOM 577 CA GLU A 56 -5.123 9.772 -9.765 1.00 0.70 C ATOM 578 C GLU A 56 -4.941 8.297 -10.093 1.00 0.66 C ATOM 579 O GLU A 56 -5.836 7.492 -9.861 1.00 0.67 O ATOM 580 CB GLU A 56 -5.505 10.579 -10.999 1.00 0.82 C ATOM 581 CG GLU A 56 -5.855 12.024 -10.673 1.00 0.93 C ATOM 582 CD GLU A 56 -7.258 12.176 -10.115 1.00 1.33 C ATOM 583 OE1 GLU A 56 -8.231 11.918 -10.859 1.00 2.04 O ATOM 584 OE2 GLU A 56 -7.400 12.576 -8.941 1.00 1.89 O ATOM 0 H GLU A 56 -3.319 10.821 -9.855 1.00 0.70 H new ATOM 0 HA GLU A 56 -5.935 9.850 -9.042 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -4.678 10.561 -11.709 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -6.356 10.105 -11.488 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -5.137 12.413 -9.951 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -5.760 12.629 -11.575 1.00 0.93 H new ATOM 591 N GLU A 57 -3.760 7.951 -10.596 1.00 0.65 N ATOM 592 CA GLU A 57 -3.414 6.560 -10.877 1.00 0.65 C ATOM 593 C GLU A 57 -3.479 5.720 -9.601 1.00 0.55 C ATOM 594 O GLU A 57 -3.851 4.547 -9.638 1.00 0.52 O ATOM 595 CB GLU A 57 -2.016 6.481 -11.494 1.00 0.73 C ATOM 596 CG GLU A 57 -1.593 5.077 -11.889 1.00 1.11 C ATOM 597 CD GLU A 57 -0.244 5.049 -12.574 1.00 1.52 C ATOM 598 OE1 GLU A 57 0.748 5.507 -11.971 1.00 2.13 O ATOM 599 OE2 GLU A 57 -0.164 4.568 -13.723 1.00 2.16 O ATOM 0 H GLU A 57 -3.022 8.619 -10.819 1.00 0.65 H new ATOM 0 HA GLU A 57 -4.137 6.160 -11.588 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -1.983 7.121 -12.376 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -1.293 6.880 -10.783 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -1.558 4.448 -11.000 1.00 1.11 H new ATOM 0 HG3 GLU A 57 -2.343 4.648 -12.554 1.00 1.11 H new ATOM 606 N LEU A 58 -3.127 6.332 -8.473 1.00 0.52 N ATOM 607 CA LEU A 58 -3.219 5.665 -7.180 1.00 0.48 C ATOM 608 C LEU A 58 -4.655 5.244 -6.902 1.00 0.46 C ATOM 609 O LEU A 58 -4.907 4.134 -6.437 1.00 0.44 O ATOM 610 CB LEU A 58 -2.730 6.587 -6.060 1.00 0.52 C ATOM 611 CG LEU A 58 -2.855 6.014 -4.643 1.00 0.55 C ATOM 612 CD1 LEU A 58 -2.036 4.740 -4.499 1.00 0.83 C ATOM 613 CD2 LEU A 58 -2.430 7.046 -3.607 1.00 0.74 C ATOM 0 H LEU A 58 -2.776 7.289 -8.430 1.00 0.52 H new ATOM 0 HA LEU A 58 -2.585 4.779 -7.211 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -1.684 6.834 -6.244 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -3.291 7.520 -6.108 1.00 0.52 H new ATOM 0 HG LEU A 58 -3.902 5.765 -4.469 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -2.141 4.353 -3.486 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -2.393 3.996 -5.211 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -0.987 4.958 -4.697 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -2.526 6.620 -2.608 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -1.393 7.331 -3.782 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -3.067 7.927 -3.688 1.00 0.74 H new ATOM 625 N LYS A 59 -5.589 6.129 -7.220 1.00 0.52 N ATOM 626 CA LYS A 59 -7.005 5.890 -6.966 1.00 0.57 C ATOM 627 C LYS A 59 -7.525 4.742 -7.822 1.00 0.51 C ATOM 628 O LYS A 59 -8.542 4.124 -7.512 1.00 0.58 O ATOM 629 CB LYS A 59 -7.803 7.168 -7.234 1.00 0.69 C ATOM 630 CG LYS A 59 -7.261 8.375 -6.485 1.00 0.76 C ATOM 631 CD LYS A 59 -7.988 9.652 -6.871 1.00 0.97 C ATOM 632 CE LYS A 59 -7.311 10.883 -6.285 1.00 1.64 C ATOM 633 NZ LYS A 59 -7.315 10.883 -4.798 1.00 2.26 N ATOM 0 H LYS A 59 -5.390 7.028 -7.659 1.00 0.52 H new ATOM 0 HA LYS A 59 -7.129 5.608 -5.920 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -7.795 7.377 -8.304 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -8.843 7.007 -6.949 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -7.359 8.211 -5.412 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -6.197 8.485 -6.694 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -8.022 9.738 -7.957 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -9.020 9.603 -6.523 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -6.282 10.932 -6.642 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -7.817 11.778 -6.646 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -7.250 11.861 -4.451 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -8.196 10.451 -4.453 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -6.502 10.337 -4.449 1.00 2.26 H new ATOM 647 N LYS A 60 -6.798 4.456 -8.883 1.00 0.49 N ATOM 648 CA LYS A 60 -7.163 3.405 -9.814 1.00 0.48 C ATOM 649 C LYS A 60 -6.613 2.072 -9.333 1.00 0.41 C ATOM 650 O LYS A 60 -7.323 1.070 -9.292 1.00 0.41 O ATOM 651 CB LYS A 60 -6.596 3.760 -11.180 1.00 0.58 C ATOM 652 CG LYS A 60 -6.816 5.221 -11.518 1.00 0.72 C ATOM 653 CD LYS A 60 -8.167 5.461 -12.166 1.00 1.19 C ATOM 654 CE LYS A 60 -8.177 4.974 -13.605 1.00 1.91 C ATOM 655 NZ LYS A 60 -7.158 5.669 -14.435 1.00 2.35 N ATOM 0 H LYS A 60 -5.937 4.946 -9.125 1.00 0.49 H new ATOM 0 HA LYS A 60 -8.247 3.316 -9.880 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -5.529 3.539 -11.199 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -7.064 3.136 -11.941 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -6.739 5.818 -10.609 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -6.027 5.560 -12.190 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -8.942 4.946 -11.599 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -8.404 6.525 -12.137 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -7.991 3.900 -13.626 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -9.166 5.134 -14.035 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -7.586 5.964 -15.336 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -6.809 6.507 -13.927 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -6.365 5.023 -14.624 1.00 2.35 H new ATOM 669 N ALA A 61 -5.340 2.083 -8.951 1.00 0.40 N ATOM 670 CA ALA A 61 -4.690 0.903 -8.400 1.00 0.39 C ATOM 671 C ALA A 61 -5.368 0.478 -7.105 1.00 0.32 C ATOM 672 O ALA A 61 -5.588 -0.708 -6.859 1.00 0.34 O ATOM 673 CB ALA A 61 -3.219 1.185 -8.156 1.00 0.47 C ATOM 0 H ALA A 61 -4.736 2.903 -9.014 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.778 0.088 -9.119 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.742 0.296 -7.744 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.739 1.451 -9.097 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -3.119 2.010 -7.451 1.00 0.47 H new ATOM 679 N ILE A 62 -5.686 1.465 -6.279 1.00 0.31 N ATOM 680 CA ILE A 62 -6.425 1.233 -5.043 1.00 0.37 C ATOM 681 C ILE A 62 -7.775 0.576 -5.325 1.00 0.36 C ATOM 682 O ILE A 62 -8.148 -0.394 -4.665 1.00 0.38 O ATOM 683 CB ILE A 62 -6.631 2.550 -4.257 1.00 0.49 C ATOM 684 CG1 ILE A 62 -5.329 2.969 -3.575 1.00 0.45 C ATOM 685 CG2 ILE A 62 -7.742 2.413 -3.228 1.00 0.83 C ATOM 686 CD1 ILE A 62 -5.413 4.311 -2.888 1.00 0.53 C ATOM 0 H ILE A 62 -5.442 2.442 -6.443 1.00 0.31 H new ATOM 0 HA ILE A 62 -5.829 0.556 -4.431 1.00 0.37 H new ATOM 0 HB ILE A 62 -6.925 3.322 -4.968 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -5.052 2.211 -2.842 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -4.532 3.000 -4.318 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -7.861 3.355 -2.693 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -8.675 2.161 -3.732 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -7.487 1.624 -2.520 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -4.454 4.544 -2.426 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -5.659 5.080 -3.620 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -6.187 4.279 -2.121 1.00 0.53 H new ATOM 698 N LYS A 63 -8.495 1.087 -6.321 1.00 0.37 N ATOM 699 CA LYS A 63 -9.796 0.532 -6.667 1.00 0.40 C ATOM 700 C LYS A 63 -9.639 -0.872 -7.247 1.00 0.35 C ATOM 701 O LYS A 63 -10.506 -1.727 -7.071 1.00 0.40 O ATOM 702 CB LYS A 63 -10.537 1.431 -7.657 1.00 0.49 C ATOM 703 CG LYS A 63 -11.978 1.004 -7.872 1.00 0.59 C ATOM 704 CD LYS A 63 -12.682 1.863 -8.904 1.00 1.21 C ATOM 705 CE LYS A 63 -14.132 1.436 -9.073 1.00 1.94 C ATOM 706 NZ LYS A 63 -14.250 -0.004 -9.429 1.00 2.76 N ATOM 0 H LYS A 63 -8.201 1.877 -6.896 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.388 0.474 -5.753 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -10.517 2.458 -7.293 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -10.013 1.421 -8.613 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -12.003 -0.038 -8.191 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -12.517 1.060 -6.926 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -12.641 2.909 -8.601 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -12.163 1.787 -9.860 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -14.676 1.627 -8.148 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -14.600 2.041 -9.849 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -15.210 -0.197 -9.781 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -13.557 -0.237 -10.169 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -14.066 -0.586 -8.587 1.00 2.76 H new ATOM 720 N LYS A 64 -8.531 -1.100 -7.941 1.00 0.34 N ATOM 721 CA LYS A 64 -8.202 -2.428 -8.434 1.00 0.39 C ATOM 722 C LYS A 64 -8.042 -3.394 -7.265 1.00 0.35 C ATOM 723 O LYS A 64 -8.618 -4.479 -7.263 1.00 0.40 O ATOM 724 CB LYS A 64 -6.919 -2.389 -9.271 1.00 0.51 C ATOM 725 CG LYS A 64 -6.426 -3.761 -9.704 1.00 1.05 C ATOM 726 CD LYS A 64 -5.131 -3.661 -10.491 1.00 1.04 C ATOM 727 CE LYS A 64 -4.528 -5.032 -10.764 1.00 1.59 C ATOM 728 NZ LYS A 64 -5.419 -5.889 -11.593 1.00 2.11 N ATOM 0 H LYS A 64 -7.846 -0.381 -8.174 1.00 0.34 H new ATOM 0 HA LYS A 64 -9.016 -2.775 -9.070 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -7.093 -1.779 -10.158 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -6.135 -1.897 -8.695 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -6.272 -4.388 -8.826 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -7.188 -4.247 -10.314 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -5.319 -3.152 -11.436 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -4.415 -3.053 -9.938 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -3.571 -4.910 -11.271 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -4.326 -5.532 -9.817 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -4.944 -6.792 -11.794 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -6.304 -6.071 -11.077 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -5.633 -5.404 -12.488 1.00 2.11 H new ATOM 742 N ALA A 65 -7.266 -2.980 -6.266 1.00 0.30 N ATOM 743 CA ALA A 65 -7.067 -3.777 -5.059 1.00 0.30 C ATOM 744 C ALA A 65 -8.397 -4.019 -4.352 1.00 0.33 C ATOM 745 O ALA A 65 -8.667 -5.121 -3.866 1.00 0.38 O ATOM 746 CB ALA A 65 -6.087 -3.080 -4.126 1.00 0.31 C ATOM 0 H ALA A 65 -6.763 -2.093 -6.270 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.651 -4.743 -5.344 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -5.946 -3.684 -3.229 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -5.130 -2.954 -4.632 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.482 -2.103 -3.847 1.00 0.31 H new ATOM 752 N ASP A 66 -9.215 -2.974 -4.308 1.00 0.35 N ATOM 753 CA ASP A 66 -10.572 -3.051 -3.774 1.00 0.41 C ATOM 754 C ASP A 66 -11.361 -4.150 -4.477 1.00 0.40 C ATOM 755 O ASP A 66 -11.968 -5.007 -3.834 1.00 0.47 O ATOM 756 CB ASP A 66 -11.266 -1.696 -3.966 1.00 0.48 C ATOM 757 CG ASP A 66 -12.728 -1.696 -3.561 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.024 -1.471 -2.371 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.596 -1.884 -4.442 1.00 1.36 O ATOM 0 H ASP A 66 -8.956 -2.046 -4.642 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.527 -3.291 -2.712 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -10.737 -0.941 -3.384 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.188 -1.403 -5.013 1.00 0.48 H new ATOM 764 N ASP A 67 -11.315 -4.128 -5.802 1.00 0.36 N ATOM 765 CA ASP A 67 -12.031 -5.093 -6.630 1.00 0.38 C ATOM 766 C ASP A 67 -11.520 -6.515 -6.408 1.00 0.40 C ATOM 767 O ASP A 67 -12.312 -7.434 -6.194 1.00 0.48 O ATOM 768 CB ASP A 67 -11.890 -4.714 -8.107 1.00 0.42 C ATOM 769 CG ASP A 67 -12.597 -5.680 -9.040 1.00 0.95 C ATOM 770 OD1 ASP A 67 -11.912 -6.515 -9.668 1.00 1.66 O ATOM 771 OD2 ASP A 67 -13.837 -5.591 -9.169 1.00 1.68 O ATOM 0 H ASP A 67 -10.781 -3.441 -6.335 1.00 0.36 H new ATOM 0 HA ASP A 67 -13.082 -5.067 -6.342 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -12.292 -3.712 -8.259 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -10.832 -4.676 -8.367 1.00 0.42 H new ATOM 776 N ILE A 68 -10.197 -6.682 -6.439 1.00 0.37 N ATOM 777 CA ILE A 68 -9.573 -8.003 -6.328 1.00 0.41 C ATOM 778 C ILE A 68 -10.061 -8.751 -5.089 1.00 0.41 C ATOM 779 O ILE A 68 -10.471 -9.912 -5.170 1.00 0.47 O ATOM 780 CB ILE A 68 -8.030 -7.902 -6.272 1.00 0.43 C ATOM 781 CG1 ILE A 68 -7.483 -7.224 -7.532 1.00 0.46 C ATOM 782 CG2 ILE A 68 -7.407 -9.285 -6.107 1.00 0.48 C ATOM 783 CD1 ILE A 68 -5.993 -6.956 -7.480 1.00 0.51 C ATOM 0 H ILE A 68 -9.533 -5.915 -6.541 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.865 -8.555 -7.221 1.00 0.41 H new ATOM 0 HB ILE A 68 -7.763 -7.293 -5.408 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -7.700 -7.852 -8.396 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -8.008 -6.281 -7.684 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -6.322 -9.193 -6.070 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -7.765 -9.737 -5.182 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -7.689 -9.914 -6.951 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.677 -6.475 -8.406 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.770 -6.302 -6.637 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -5.458 -7.898 -7.360 1.00 0.51 H new ATOM 795 N ALA A 69 -10.029 -8.077 -3.949 1.00 0.39 N ATOM 796 CA ALA A 69 -10.403 -8.696 -2.687 1.00 0.43 C ATOM 797 C ALA A 69 -11.910 -8.849 -2.562 1.00 0.47 C ATOM 798 O ALA A 69 -12.407 -9.925 -2.247 1.00 0.53 O ATOM 799 CB ALA A 69 -9.875 -7.878 -1.524 1.00 0.46 C ATOM 0 H ALA A 69 -9.747 -7.100 -3.872 1.00 0.39 H new ATOM 0 HA ALA A 69 -9.958 -9.691 -2.666 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -10.162 -8.352 -0.586 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -8.788 -7.820 -1.584 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.295 -6.873 -1.566 1.00 0.46 H new ATOM 805 N LYS A 70 -12.625 -7.775 -2.840 1.00 0.52 N ATOM 806 CA LYS A 70 -14.059 -7.691 -2.570 1.00 0.65 C ATOM 807 C LYS A 70 -14.861 -8.733 -3.327 1.00 0.63 C ATOM 808 O LYS A 70 -15.929 -9.150 -2.873 1.00 0.72 O ATOM 809 CB LYS A 70 -14.552 -6.302 -2.945 1.00 0.87 C ATOM 810 CG LYS A 70 -15.998 -6.011 -2.577 1.00 1.09 C ATOM 811 CD LYS A 70 -16.401 -4.613 -3.025 1.00 1.14 C ATOM 812 CE LYS A 70 -15.661 -3.538 -2.241 1.00 1.14 C ATOM 813 NZ LYS A 70 -15.776 -2.202 -2.880 1.00 1.50 N ATOM 0 H LYS A 70 -12.233 -6.932 -3.260 1.00 0.52 H new ATOM 0 HA LYS A 70 -14.206 -7.884 -1.507 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -13.914 -5.563 -2.460 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -14.433 -6.169 -4.020 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -16.652 -6.749 -3.042 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -16.129 -6.104 -1.499 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -16.192 -4.497 -4.089 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -17.476 -4.484 -2.895 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -16.059 -3.490 -1.227 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -14.609 -3.810 -2.158 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -15.438 -1.472 -2.221 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -15.200 -2.180 -3.745 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -16.771 -2.017 -3.122 1.00 1.50 H new ATOM 827 N LYS A 71 -14.369 -9.144 -4.481 1.00 0.62 N ATOM 828 CA LYS A 71 -15.050 -10.165 -5.252 1.00 0.76 C ATOM 829 C LYS A 71 -15.185 -11.446 -4.438 1.00 0.83 C ATOM 830 O LYS A 71 -16.214 -12.115 -4.493 1.00 1.03 O ATOM 831 CB LYS A 71 -14.312 -10.437 -6.565 1.00 0.84 C ATOM 832 CG LYS A 71 -14.350 -9.262 -7.528 1.00 1.26 C ATOM 833 CD LYS A 71 -13.508 -9.515 -8.767 1.00 1.71 C ATOM 834 CE LYS A 71 -14.061 -10.652 -9.610 1.00 2.27 C ATOM 835 NZ LYS A 71 -13.269 -10.851 -10.851 1.00 2.71 N ATOM 0 H LYS A 71 -13.509 -8.790 -4.901 1.00 0.62 H new ATOM 0 HA LYS A 71 -16.049 -9.802 -5.493 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -13.274 -10.685 -6.346 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -14.753 -11.309 -7.048 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -15.381 -9.069 -7.824 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -13.990 -8.366 -7.022 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -13.465 -8.606 -9.368 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -12.486 -9.749 -8.469 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -14.060 -11.572 -9.026 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -15.098 -10.441 -9.870 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -13.676 -11.635 -11.401 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -13.291 -9.981 -11.420 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -12.285 -11.077 -10.602 1.00 2.71 H new ATOM 917 N ALA A 77 -9.832 -7.745 4.466 1.00 0.55 N ATOM 918 CA ALA A 77 -8.702 -7.432 3.614 1.00 0.44 C ATOM 919 C ALA A 77 -7.953 -6.233 4.171 1.00 0.37 C ATOM 920 O ALA A 77 -8.564 -5.292 4.681 1.00 0.42 O ATOM 921 CB ALA A 77 -9.168 -7.161 2.190 1.00 0.71 C ATOM 0 HA ALA A 77 -8.027 -8.287 3.592 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -8.307 -6.928 1.564 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -9.673 -8.044 1.798 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -9.858 -6.317 2.187 1.00 0.71 H new ATOM 927 N LYS A 78 -6.636 -6.271 4.090 1.00 0.35 N ATOM 928 CA LYS A 78 -5.820 -5.183 4.600 1.00 0.37 C ATOM 929 C LYS A 78 -4.908 -4.663 3.503 1.00 0.33 C ATOM 930 O LYS A 78 -4.319 -5.441 2.748 1.00 0.37 O ATOM 931 CB LYS A 78 -5.008 -5.637 5.815 1.00 0.50 C ATOM 932 CG LYS A 78 -5.871 -6.111 6.973 1.00 0.63 C ATOM 933 CD LYS A 78 -5.054 -6.374 8.229 1.00 0.89 C ATOM 934 CE LYS A 78 -4.077 -7.524 8.045 1.00 1.04 C ATOM 935 NZ LYS A 78 -3.422 -7.906 9.324 1.00 1.67 N ATOM 0 H LYS A 78 -6.109 -7.041 3.677 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.475 -4.374 4.922 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.339 -6.444 5.515 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -4.381 -4.812 6.153 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -6.632 -5.361 7.187 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -6.394 -7.023 6.685 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -4.505 -5.472 8.499 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -5.726 -6.599 9.058 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -4.604 -8.386 7.636 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -3.316 -7.241 7.318 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -2.764 -8.693 9.155 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -2.898 -7.091 9.702 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -4.146 -8.201 10.010 1.00 1.67 H new ATOM 949 N ILE A 79 -4.802 -3.349 3.410 1.00 0.29 N ATOM 950 CA ILE A 79 -4.084 -2.723 2.314 1.00 0.29 C ATOM 951 C ILE A 79 -3.140 -1.640 2.824 1.00 0.29 C ATOM 952 O ILE A 79 -3.506 -0.853 3.695 1.00 0.40 O ATOM 953 CB ILE A 79 -5.068 -2.085 1.305 1.00 0.31 C ATOM 954 CG1 ILE A 79 -6.090 -3.113 0.810 1.00 0.37 C ATOM 955 CG2 ILE A 79 -4.313 -1.478 0.133 1.00 0.35 C ATOM 956 CD1 ILE A 79 -7.117 -2.539 -0.144 1.00 0.49 C ATOM 0 H ILE A 79 -5.204 -2.695 4.081 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.506 -3.504 1.820 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.609 -1.290 1.818 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.562 -3.928 0.314 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.605 -3.543 1.669 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -5.022 -1.034 -0.566 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.633 -0.708 0.498 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.742 -2.256 -0.374 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.807 -3.325 -0.452 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.672 -1.744 0.354 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.612 -2.135 -1.022 1.00 0.49 H new ATOM 968 N LEU A 80 -1.928 -1.609 2.288 1.00 0.23 N ATOM 969 CA LEU A 80 -1.009 -0.514 2.556 1.00 0.28 C ATOM 970 C LEU A 80 -0.912 0.384 1.345 1.00 0.30 C ATOM 971 O LEU A 80 -0.933 -0.090 0.210 1.00 0.45 O ATOM 972 CB LEU A 80 0.410 -0.995 2.871 1.00 0.40 C ATOM 973 CG LEU A 80 0.586 -1.861 4.108 1.00 0.57 C ATOM 974 CD1 LEU A 80 2.066 -2.067 4.385 1.00 1.22 C ATOM 975 CD2 LEU A 80 -0.112 -1.254 5.314 1.00 1.40 C ATOM 0 H LEU A 80 -1.559 -2.329 1.666 1.00 0.23 H new ATOM 0 HA LEU A 80 -1.408 0.012 3.423 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.777 -1.555 2.011 1.00 0.40 H new ATOM 0 HB3 LEU A 80 1.049 -0.118 2.977 1.00 0.40 H new ATOM 0 HG LEU A 80 0.123 -2.829 3.920 1.00 0.57 H new ATOM 0 HD11 LEU A 80 2.187 -2.688 5.272 1.00 1.22 H new ATOM 0 HD12 LEU A 80 2.531 -2.560 3.531 1.00 1.22 H new ATOM 0 HD13 LEU A 80 2.543 -1.101 4.550 1.00 1.22 H new ATOM 0 HD21 LEU A 80 0.034 -1.898 6.181 1.00 1.40 H new ATOM 0 HD22 LEU A 80 0.307 -0.269 5.519 1.00 1.40 H new ATOM 0 HD23 LEU A 80 -1.178 -1.159 5.108 1.00 1.40 H new ATOM 987 N ILE A 81 -0.818 1.675 1.577 1.00 0.27 N ATOM 988 CA ILE A 81 -0.377 2.573 0.536 1.00 0.27 C ATOM 989 C ILE A 81 0.955 3.173 0.959 1.00 0.27 C ATOM 990 O ILE A 81 1.011 4.100 1.767 1.00 0.33 O ATOM 991 CB ILE A 81 -1.388 3.700 0.203 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.726 3.130 -0.286 1.00 0.28 C ATOM 993 CG2 ILE A 81 -0.811 4.618 -0.863 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.653 2.675 0.817 1.00 0.38 C ATOM 0 H ILE A 81 -1.039 2.121 2.467 1.00 0.27 H new ATOM 0 HA ILE A 81 -0.281 1.990 -0.380 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.570 4.263 1.119 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -3.234 3.889 -0.881 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.527 2.287 -0.948 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.528 5.407 -1.091 1.00 0.34 H new ATOM 0 HG22 ILE A 81 0.114 5.063 -0.498 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.605 4.043 -1.766 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.574 2.287 0.381 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -3.168 1.891 1.399 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.886 3.518 1.467 1.00 0.38 H new ATOM 1006 N LEU A 82 2.017 2.582 0.447 1.00 0.27 N ATOM 1007 CA LEU A 82 3.372 3.042 0.694 1.00 0.31 C ATOM 1008 C LEU A 82 3.628 4.295 -0.143 1.00 0.34 C ATOM 1009 O LEU A 82 3.689 4.225 -1.360 1.00 0.59 O ATOM 1010 CB LEU A 82 4.346 1.914 0.314 1.00 0.43 C ATOM 1011 CG LEU A 82 5.741 1.952 0.952 1.00 0.76 C ATOM 1012 CD1 LEU A 82 6.546 3.145 0.460 1.00 1.61 C ATOM 1013 CD2 LEU A 82 5.630 1.968 2.468 1.00 1.08 C ATOM 0 H LEU A 82 1.964 1.762 -0.157 1.00 0.27 H new ATOM 0 HA LEU A 82 3.516 3.293 1.745 1.00 0.31 H new ATOM 0 HB2 LEU A 82 3.881 0.963 0.574 1.00 0.43 H new ATOM 0 HB3 LEU A 82 4.469 1.923 -0.769 1.00 0.43 H new ATOM 0 HG LEU A 82 6.272 1.049 0.650 1.00 0.76 H new ATOM 0 HD11 LEU A 82 7.528 3.141 0.932 1.00 1.61 H new ATOM 0 HD12 LEU A 82 6.663 3.084 -0.622 1.00 1.61 H new ATOM 0 HD13 LEU A 82 6.024 4.067 0.717 1.00 1.61 H new ATOM 0 HD21 LEU A 82 6.628 1.995 2.906 1.00 1.08 H new ATOM 0 HD22 LEU A 82 5.072 2.850 2.783 1.00 1.08 H new ATOM 0 HD23 LEU A 82 5.110 1.071 2.804 1.00 1.08 H new ATOM 1025 N LEU A 83 3.759 5.439 0.494 1.00 0.35 N ATOM 1026 CA LEU A 83 3.904 6.683 -0.247 1.00 0.42 C ATOM 1027 C LEU A 83 4.833 7.658 0.456 1.00 0.44 C ATOM 1028 O LEU A 83 5.059 7.561 1.664 1.00 0.55 O ATOM 1029 CB LEU A 83 2.526 7.328 -0.484 1.00 0.45 C ATOM 1030 CG LEU A 83 1.483 7.132 0.630 1.00 0.49 C ATOM 1031 CD1 LEU A 83 1.945 7.742 1.941 1.00 1.17 C ATOM 1032 CD2 LEU A 83 0.145 7.726 0.216 1.00 1.13 C ATOM 0 H LEU A 83 3.769 5.538 1.509 1.00 0.35 H new ATOM 0 HA LEU A 83 4.355 6.441 -1.209 1.00 0.42 H new ATOM 0 HB2 LEU A 83 2.670 8.398 -0.634 1.00 0.45 H new ATOM 0 HB3 LEU A 83 2.116 6.928 -1.411 1.00 0.45 H new ATOM 0 HG LEU A 83 1.363 6.060 0.785 1.00 0.49 H new ATOM 0 HD11 LEU A 83 1.183 7.584 2.704 1.00 1.17 H new ATOM 0 HD12 LEU A 83 2.876 7.269 2.254 1.00 1.17 H new ATOM 0 HD13 LEU A 83 2.108 8.811 1.807 1.00 1.17 H new ATOM 0 HD21 LEU A 83 -0.581 7.579 1.015 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.264 8.793 0.026 1.00 1.13 H new ATOM 0 HD23 LEU A 83 -0.207 7.233 -0.690 1.00 1.13 H new ATOM 1044 N GLU A 84 5.380 8.592 -0.306 1.00 0.43 N ATOM 1045 CA GLU A 84 6.169 9.655 0.277 1.00 0.45 C ATOM 1046 C GLU A 84 5.332 10.926 0.267 1.00 0.47 C ATOM 1047 O GLU A 84 5.172 11.579 -0.768 1.00 0.54 O ATOM 1048 CB GLU A 84 7.471 9.831 -0.526 1.00 0.55 C ATOM 1049 CG GLU A 84 8.517 10.735 0.125 1.00 1.29 C ATOM 1050 CD GLU A 84 8.181 12.212 0.045 1.00 1.47 C ATOM 1051 OE1 GLU A 84 7.667 12.766 1.041 1.00 1.94 O ATOM 1052 OE2 GLU A 84 8.436 12.828 -1.016 1.00 2.04 O ATOM 0 H GLU A 84 5.291 8.632 -1.321 1.00 0.43 H new ATOM 0 HA GLU A 84 6.445 9.418 1.305 1.00 0.45 H new ATOM 0 HB2 GLU A 84 7.914 8.849 -0.690 1.00 0.55 H new ATOM 0 HB3 GLU A 84 7.223 10.237 -1.507 1.00 0.55 H new ATOM 0 HG2 GLU A 84 8.627 10.453 1.172 1.00 1.29 H new ATOM 0 HG3 GLU A 84 9.481 10.564 -0.354 1.00 1.29 H new ATOM 1059 N LYS A 85 4.788 11.243 1.433 1.00 0.45 N ATOM 1060 CA LYS A 85 4.003 12.447 1.649 1.00 0.56 C ATOM 1061 C LYS A 85 3.634 12.526 3.125 1.00 0.53 C ATOM 1062 O LYS A 85 3.477 11.490 3.774 1.00 0.53 O ATOM 1063 CB LYS A 85 2.727 12.451 0.792 1.00 0.74 C ATOM 1064 CG LYS A 85 1.812 11.261 1.039 1.00 1.00 C ATOM 1065 CD LYS A 85 0.402 11.506 0.521 1.00 0.91 C ATOM 1066 CE LYS A 85 0.355 11.623 -0.993 1.00 1.66 C ATOM 1067 NZ LYS A 85 -1.010 11.966 -1.479 1.00 2.02 N ATOM 0 H LYS A 85 4.882 10.662 2.266 1.00 0.45 H new ATOM 0 HA LYS A 85 4.598 13.312 1.355 1.00 0.56 H new ATOM 0 HB2 LYS A 85 2.173 13.369 0.988 1.00 0.74 H new ATOM 0 HB3 LYS A 85 3.009 12.467 -0.261 1.00 0.74 H new ATOM 0 HG2 LYS A 85 2.228 10.378 0.554 1.00 1.00 H new ATOM 0 HG3 LYS A 85 1.774 11.049 2.108 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -0.247 10.690 0.840 1.00 0.91 H new ATOM 0 HD3 LYS A 85 0.008 12.420 0.966 1.00 0.91 H new ATOM 0 HE2 LYS A 85 1.060 12.387 -1.321 1.00 1.66 H new ATOM 0 HE3 LYS A 85 0.674 10.682 -1.440 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 -1.172 11.519 -2.404 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 -1.717 11.621 -0.799 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 -1.096 12.998 -1.574 1.00 2.02 H new ATOM 1081 N PRO A 86 3.506 13.731 3.692 1.00 0.60 N ATOM 1082 CA PRO A 86 2.963 13.892 5.038 1.00 0.62 C ATOM 1083 C PRO A 86 1.484 13.512 5.072 1.00 0.61 C ATOM 1084 O PRO A 86 0.658 14.124 4.387 1.00 0.68 O ATOM 1085 CB PRO A 86 3.146 15.384 5.338 1.00 0.74 C ATOM 1086 CG PRO A 86 4.109 15.881 4.311 1.00 0.85 C ATOM 1087 CD PRO A 86 3.906 15.015 3.102 1.00 0.74 C ATOM 0 HA PRO A 86 3.459 13.254 5.769 1.00 0.62 H new ATOM 0 HB2 PRO A 86 2.197 15.916 5.276 1.00 0.74 H new ATOM 0 HB3 PRO A 86 3.533 15.537 6.346 1.00 0.74 H new ATOM 0 HG2 PRO A 86 3.923 16.929 4.076 1.00 0.85 H new ATOM 0 HG3 PRO A 86 5.135 15.813 4.672 1.00 0.85 H new ATOM 0 HD2 PRO A 86 3.137 15.415 2.441 1.00 0.74 H new ATOM 0 HD3 PRO A 86 4.817 14.923 2.511 1.00 0.74 H new ATOM 1095 N VAL A 87 1.152 12.501 5.866 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.209 11.985 5.917 1.00 0.62 C ATOM 1097 C VAL A 87 -0.823 12.157 7.300 1.00 0.62 C ATOM 1098 O VAL A 87 -0.159 11.967 8.320 1.00 0.66 O ATOM 1099 CB VAL A 87 -0.275 10.491 5.523 1.00 0.69 C ATOM 1100 CG1 VAL A 87 0.146 10.298 4.077 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.590 9.641 6.446 1.00 0.88 C ATOM 0 H VAL A 87 1.808 12.022 6.484 1.00 0.59 H new ATOM 0 HA VAL A 87 -0.780 12.568 5.194 1.00 0.62 H new ATOM 0 HB VAL A 87 -1.309 10.163 5.630 1.00 0.69 H new ATOM 0 HG11 VAL A 87 0.092 9.240 3.821 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -0.520 10.864 3.426 1.00 1.17 H new ATOM 0 HG13 VAL A 87 1.169 10.652 3.945 1.00 1.17 H new ATOM 0 HG21 VAL A 87 0.524 8.595 6.145 1.00 0.88 H new ATOM 0 HG22 VAL A 87 1.626 9.973 6.381 1.00 0.88 H new ATOM 0 HG23 VAL A 87 0.239 9.746 7.473 1.00 0.88 H new ATOM 1111 N SER A 88 -2.086 12.541 7.326 1.00 0.69 N ATOM 1112 CA SER A 88 -2.824 12.651 8.568 1.00 0.76 C ATOM 1113 C SER A 88 -3.723 11.429 8.758 1.00 0.72 C ATOM 1114 O SER A 88 -4.155 10.829 7.773 1.00 0.69 O ATOM 1115 CB SER A 88 -3.658 13.931 8.563 1.00 0.92 C ATOM 1116 OG SER A 88 -2.851 15.060 8.274 1.00 1.44 O ATOM 0 H SER A 88 -2.624 12.783 6.494 1.00 0.69 H new ATOM 0 HA SER A 88 -2.119 12.693 9.399 1.00 0.76 H new ATOM 0 HB2 SER A 88 -4.453 13.849 7.822 1.00 0.92 H new ATOM 0 HB3 SER A 88 -4.138 14.061 9.533 1.00 0.92 H new ATOM 0 HG SER A 88 -3.406 15.868 8.274 1.00 1.44 H new ATOM 1122 N PRO A 89 -4.000 11.028 10.008 1.00 0.78 N ATOM 1123 CA PRO A 89 -4.897 9.901 10.292 1.00 0.79 C ATOM 1124 C PRO A 89 -6.228 10.016 9.550 1.00 0.67 C ATOM 1125 O PRO A 89 -6.697 9.051 8.945 1.00 0.65 O ATOM 1126 CB PRO A 89 -5.114 9.997 11.801 1.00 0.98 C ATOM 1127 CG PRO A 89 -3.885 10.661 12.316 1.00 1.14 C ATOM 1128 CD PRO A 89 -3.443 11.616 11.241 1.00 0.92 C ATOM 0 HA PRO A 89 -4.475 8.950 9.968 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -6.006 10.577 12.037 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -5.248 9.011 12.246 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -4.089 11.190 13.247 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -3.107 9.928 12.530 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -3.826 12.621 11.415 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -2.357 11.693 11.194 1.00 0.92 H new ATOM 1136 N GLU A 90 -6.817 11.209 9.582 1.00 0.71 N ATOM 1137 CA GLU A 90 -8.082 11.472 8.900 1.00 0.72 C ATOM 1138 C GLU A 90 -7.932 11.232 7.394 1.00 0.64 C ATOM 1139 O GLU A 90 -8.804 10.642 6.755 1.00 0.68 O ATOM 1140 CB GLU A 90 -8.528 12.913 9.198 1.00 0.87 C ATOM 1141 CG GLU A 90 -9.984 13.217 8.867 1.00 1.24 C ATOM 1142 CD GLU A 90 -10.199 13.626 7.426 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -10.704 12.804 6.635 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -9.872 14.778 7.076 1.00 2.37 O ATOM 0 H GLU A 90 -6.435 12.015 10.077 1.00 0.71 H new ATOM 0 HA GLU A 90 -8.848 10.789 9.266 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -8.361 13.118 10.255 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -7.893 13.598 8.636 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -10.589 12.336 9.081 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -10.339 14.014 9.520 1.00 1.24 H new ATOM 1151 N TYR A 91 -6.799 11.656 6.846 1.00 0.62 N ATOM 1152 CA TYR A 91 -6.508 11.465 5.429 1.00 0.62 C ATOM 1153 C TYR A 91 -6.478 9.978 5.074 1.00 0.52 C ATOM 1154 O TYR A 91 -6.932 9.585 4.003 1.00 0.52 O ATOM 1155 CB TYR A 91 -5.174 12.129 5.065 1.00 0.72 C ATOM 1156 CG TYR A 91 -4.734 11.900 3.631 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -5.496 12.362 2.564 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -3.549 11.228 3.346 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -5.093 12.160 1.257 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -3.141 11.023 2.042 1.00 3.00 C ATOM 1161 CZ TYR A 91 -3.915 11.490 1.001 1.00 2.89 C ATOM 1162 OH TYR A 91 -3.508 11.293 -0.301 1.00 3.78 O ATOM 0 H TYR A 91 -6.063 12.137 7.364 1.00 0.62 H new ATOM 0 HA TYR A 91 -7.303 11.936 4.851 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -5.255 13.202 5.241 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -4.400 11.754 5.735 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -6.419 12.888 2.759 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -2.938 10.861 4.158 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -5.698 12.525 0.440 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -2.219 10.499 1.839 1.00 3.00 H new ATOM 0 HH TYR A 91 -3.834 12.028 -0.861 1.00 3.78 H new ATOM 1172 N GLU A 92 -5.969 9.159 5.989 1.00 0.48 N ATOM 1173 CA GLU A 92 -5.897 7.716 5.781 1.00 0.42 C ATOM 1174 C GLU A 92 -7.288 7.121 5.560 1.00 0.42 C ATOM 1175 O GLU A 92 -7.459 6.169 4.795 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.241 7.040 6.986 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.281 5.525 6.920 1.00 0.49 C ATOM 1178 CD GLU A 92 -4.832 4.867 8.204 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -3.676 4.407 8.268 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -5.640 4.806 9.158 1.00 1.14 O ATOM 0 H GLU A 92 -5.598 9.472 6.886 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.296 7.537 4.890 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.203 7.366 7.056 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -5.742 7.370 7.896 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.297 5.203 6.689 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -4.645 5.185 6.102 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.283 7.710 6.207 1.00 0.47 N ATOM 1188 CA LYS A 93 -9.636 7.188 6.163 1.00 0.54 C ATOM 1189 C LYS A 93 -10.245 7.480 4.802 1.00 0.53 C ATOM 1190 O LYS A 93 -11.176 6.807 4.370 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.493 7.802 7.275 1.00 0.69 C ATOM 1192 CG LYS A 93 -9.781 7.911 8.619 1.00 1.51 C ATOM 1193 CD LYS A 93 -9.175 6.587 9.067 1.00 2.25 C ATOM 1194 CE LYS A 93 -8.401 6.752 10.365 1.00 2.80 C ATOM 1195 NZ LYS A 93 -7.671 5.515 10.753 1.00 3.25 N ATOM 0 H LYS A 93 -8.175 8.553 6.770 1.00 0.47 H new ATOM 0 HA LYS A 93 -9.605 6.110 6.321 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.815 8.796 6.964 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -11.393 7.200 7.400 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -8.994 8.662 8.550 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -10.487 8.258 9.374 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -9.965 5.849 9.202 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -8.512 6.205 8.290 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -7.690 7.572 10.259 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -9.090 7.029 11.163 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -7.029 5.725 11.544 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -8.353 4.786 11.045 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -7.120 5.168 9.942 1.00 3.25 H new ATOM 1209 N LYS A 94 -9.693 8.479 4.122 1.00 0.54 N ATOM 1210 CA LYS A 94 -10.099 8.785 2.761 1.00 0.59 C ATOM 1211 C LYS A 94 -9.669 7.667 1.822 1.00 0.52 C ATOM 1212 O LYS A 94 -10.359 7.365 0.852 1.00 0.57 O ATOM 1213 CB LYS A 94 -9.510 10.115 2.291 1.00 0.67 C ATOM 1214 CG LYS A 94 -10.098 11.328 2.990 1.00 1.19 C ATOM 1215 CD LYS A 94 -9.577 12.618 2.381 1.00 1.48 C ATOM 1216 CE LYS A 94 -10.314 13.832 2.918 1.00 1.97 C ATOM 1217 NZ LYS A 94 -10.051 14.062 4.362 1.00 2.44 N ATOM 0 H LYS A 94 -8.964 9.088 4.493 1.00 0.54 H new ATOM 0 HA LYS A 94 -11.185 8.871 2.747 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -8.432 10.101 2.453 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -9.670 10.213 1.217 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -11.185 11.301 2.917 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -9.848 11.297 4.051 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -8.512 12.716 2.593 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -9.684 12.578 1.297 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -10.015 14.714 2.352 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -11.385 13.701 2.763 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -10.419 14.995 4.638 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -10.523 13.324 4.923 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -9.027 14.028 4.538 1.00 2.44 H new ATOM 1231 N LEU A 95 -8.531 7.049 2.118 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.056 5.922 1.329 1.00 0.45 C ATOM 1233 C LEU A 95 -8.869 4.674 1.662 1.00 0.39 C ATOM 1234 O LEU A 95 -9.129 3.842 0.791 1.00 0.41 O ATOM 1235 CB LEU A 95 -6.556 5.668 1.544 1.00 0.46 C ATOM 1236 CG LEU A 95 -5.596 6.707 0.938 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -5.939 6.983 -0.517 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -5.598 7.997 1.739 1.00 1.12 C ATOM 0 H LEU A 95 -7.924 7.309 2.895 1.00 0.47 H new ATOM 0 HA LEU A 95 -8.193 6.166 0.276 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.368 5.613 2.616 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -6.311 4.691 1.127 1.00 0.46 H new ATOM 0 HG LEU A 95 -4.591 6.287 0.980 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -5.245 7.721 -0.921 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -5.861 6.059 -1.091 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -6.957 7.367 -0.584 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -4.909 8.709 1.284 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -6.603 8.419 1.747 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -5.283 7.791 2.762 1.00 1.12 H new ATOM 1250 N GLN A 96 -9.287 4.560 2.924 1.00 0.37 N ATOM 1251 CA GLN A 96 -10.230 3.517 3.329 1.00 0.40 C ATOM 1252 C GLN A 96 -11.582 3.764 2.661 1.00 0.45 C ATOM 1253 O GLN A 96 -12.383 2.847 2.473 1.00 0.49 O ATOM 1254 CB GLN A 96 -10.406 3.489 4.855 1.00 0.53 C ATOM 1255 CG GLN A 96 -9.248 2.850 5.614 1.00 0.60 C ATOM 1256 CD GLN A 96 -9.296 3.142 7.100 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -10.366 3.350 7.675 1.00 1.79 O ATOM 1258 NE2 GLN A 96 -8.135 3.141 7.737 1.00 2.20 N ATOM 0 H GLN A 96 -8.988 5.175 3.681 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.830 2.553 3.014 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -10.538 4.511 5.212 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -11.322 2.948 5.092 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -9.267 1.771 5.458 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -8.305 3.214 5.206 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -7.272 2.964 7.223 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -8.104 3.317 8.741 1.00 2.20 H new ATOM 1267 N LYS A 97 -11.836 5.023 2.326 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.048 5.393 1.603 1.00 0.64 C ATOM 1269 C LYS A 97 -12.943 5.018 0.121 1.00 0.65 C ATOM 1270 O LYS A 97 -13.952 4.727 -0.524 1.00 0.72 O ATOM 1271 CB LYS A 97 -13.330 6.892 1.761 1.00 0.78 C ATOM 1272 CG LYS A 97 -14.617 7.352 1.094 1.00 1.44 C ATOM 1273 CD LYS A 97 -14.880 8.829 1.344 1.00 1.95 C ATOM 1274 CE LYS A 97 -16.141 9.298 0.635 1.00 2.39 C ATOM 1275 NZ LYS A 97 -16.429 10.731 0.901 1.00 2.87 N ATOM 0 H LYS A 97 -11.219 5.806 2.543 1.00 0.52 H new ATOM 0 HA LYS A 97 -13.881 4.835 2.032 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.377 7.133 2.823 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -12.495 7.455 1.343 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -14.557 7.169 0.021 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -15.454 6.764 1.471 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -14.976 9.006 2.415 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -14.028 9.415 0.999 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -16.032 9.143 -0.438 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -16.987 8.692 0.960 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -17.296 11.010 0.399 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -16.559 10.875 1.923 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -15.634 11.313 0.567 1.00 2.87 H new ATOM 1289 N TYR A 98 -11.725 5.015 -0.415 1.00 0.63 N ATOM 1290 CA TYR A 98 -11.504 4.609 -1.803 1.00 0.68 C ATOM 1291 C TYR A 98 -11.643 3.100 -1.958 1.00 0.64 C ATOM 1292 O TYR A 98 -12.364 2.619 -2.832 1.00 0.73 O ATOM 1293 CB TYR A 98 -10.123 5.050 -2.296 1.00 0.71 C ATOM 1294 CG TYR A 98 -10.065 6.485 -2.766 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -9.477 7.471 -1.990 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -10.599 6.849 -3.994 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -9.422 8.781 -2.421 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -10.548 8.155 -4.433 1.00 2.50 C ATOM 1299 CZ TYR A 98 -9.960 9.116 -3.642 1.00 2.73 C ATOM 1300 OH TYR A 98 -9.907 10.419 -4.077 1.00 3.64 O ATOM 0 H TYR A 98 -10.879 5.287 0.086 1.00 0.63 H new ATOM 0 HA TYR A 98 -12.265 5.100 -2.409 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -9.401 4.913 -1.491 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -9.816 4.398 -3.114 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -9.054 7.210 -1.031 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -11.062 6.097 -4.616 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -8.960 9.538 -1.804 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -10.967 8.422 -5.392 1.00 2.50 H new ATOM 0 HH TYR A 98 -10.330 10.487 -4.958 1.00 3.64 H new ATOM 1310 N ALA A 99 -10.948 2.361 -1.106 1.00 0.56 N ATOM 1311 CA ALA A 99 -11.014 0.909 -1.126 1.00 0.56 C ATOM 1312 C ALA A 99 -11.604 0.397 0.169 1.00 0.52 C ATOM 1313 O ALA A 99 -11.152 0.771 1.252 1.00 0.60 O ATOM 1314 CB ALA A 99 -9.636 0.310 -1.339 1.00 0.59 C ATOM 0 H ALA A 99 -10.331 2.745 -0.391 1.00 0.56 H new ATOM 0 HA ALA A 99 -11.654 0.607 -1.955 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -9.710 -0.777 -1.350 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -9.232 0.656 -2.290 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -8.975 0.620 -0.530 1.00 0.59 H new ATOM 1320 N ASP A 100 -12.600 -0.464 0.068 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.267 -0.951 1.258 1.00 0.53 C ATOM 1322 C ASP A 100 -12.469 -2.107 1.825 1.00 0.47 C ATOM 1323 O ASP A 100 -12.532 -3.237 1.337 1.00 0.51 O ATOM 1324 CB ASP A 100 -14.699 -1.390 0.939 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.529 -1.612 2.188 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -15.677 -2.776 2.617 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -16.045 -0.622 2.745 1.00 1.73 O ATOM 0 H ASP A 100 -12.960 -0.835 -0.812 1.00 0.54 H new ATOM 0 HA ASP A 100 -13.326 -0.149 1.994 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -15.178 -0.633 0.318 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -14.672 -2.311 0.356 1.00 0.66 H new ATOM 1332 N ALA A 101 -11.722 -1.789 2.858 1.00 0.42 N ATOM 1333 CA ALA A 101 -10.849 -2.719 3.541 1.00 0.39 C ATOM 1334 C ALA A 101 -10.262 -1.996 4.721 1.00 0.37 C ATOM 1335 O ALA A 101 -10.694 -0.887 5.045 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.750 -3.213 2.606 1.00 0.43 C ATOM 0 H ALA A 101 -11.704 -0.851 3.258 1.00 0.42 H new ATOM 0 HA ALA A 101 -11.406 -3.596 3.870 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -9.105 -3.911 3.140 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -10.200 -3.716 1.750 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -9.159 -2.365 2.259 1.00 0.43 H new ATOM 1342 N GLU A 102 -9.282 -2.586 5.360 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.557 -1.864 6.367 1.00 0.31 C ATOM 1344 C GLU A 102 -7.283 -1.307 5.753 1.00 0.29 C ATOM 1345 O GLU A 102 -6.236 -1.958 5.736 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.256 -2.733 7.575 1.00 0.41 C ATOM 1347 CG GLU A 102 -9.426 -3.600 8.022 1.00 0.76 C ATOM 1348 CD GLU A 102 -9.286 -4.083 9.450 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -8.584 -5.087 9.687 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -9.888 -3.461 10.349 1.00 1.77 O ATOM 0 H GLU A 102 -8.975 -3.546 5.203 1.00 0.31 H new ATOM 0 HA GLU A 102 -9.174 -1.041 6.727 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -7.407 -3.377 7.344 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -7.954 -2.093 8.404 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -10.351 -3.032 7.924 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -9.509 -4.461 7.359 1.00 0.76 H new ATOM 1357 N VAL A 103 -7.408 -0.107 5.210 1.00 0.27 N ATOM 1358 CA VAL A 103 -6.306 0.568 4.555 1.00 0.32 C ATOM 1359 C VAL A 103 -5.446 1.308 5.575 1.00 0.32 C ATOM 1360 O VAL A 103 -5.940 2.125 6.356 1.00 0.38 O ATOM 1361 CB VAL A 103 -6.827 1.543 3.459 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -6.058 2.850 3.438 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -6.747 0.906 2.085 1.00 1.05 C ATOM 0 H VAL A 103 -8.278 0.425 5.212 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.686 -0.185 4.069 1.00 0.32 H new ATOM 0 HB VAL A 103 -7.866 1.757 3.710 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -6.459 3.496 2.657 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -6.156 3.345 4.404 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -5.005 2.650 3.238 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -7.117 1.607 1.337 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -5.711 0.650 1.862 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -7.356 0.002 2.067 1.00 1.05 H new ATOM 1373 N ARG A 104 -4.166 0.985 5.579 1.00 0.33 N ATOM 1374 CA ARG A 104 -3.200 1.681 6.404 1.00 0.37 C ATOM 1375 C ARG A 104 -2.134 2.290 5.513 1.00 0.33 C ATOM 1376 O ARG A 104 -1.322 1.582 4.920 1.00 0.38 O ATOM 1377 CB ARG A 104 -2.557 0.735 7.421 1.00 0.46 C ATOM 1378 CG ARG A 104 -3.530 0.173 8.444 1.00 1.23 C ATOM 1379 CD ARG A 104 -2.805 -0.628 9.511 1.00 1.26 C ATOM 1380 NE ARG A 104 -1.822 0.186 10.226 1.00 1.50 N ATOM 1381 CZ ARG A 104 -1.045 -0.263 11.210 1.00 1.82 C ATOM 1382 NH1 ARG A 104 -1.127 -1.529 11.604 1.00 1.78 N ATOM 1383 NH2 ARG A 104 -0.182 0.558 11.798 1.00 2.71 N ATOM 0 H ARG A 104 -3.769 0.236 5.012 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.714 2.466 6.959 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -2.089 -0.092 6.887 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -1.762 1.267 7.944 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -4.082 0.989 8.911 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -4.261 -0.462 7.944 1.00 1.23 H new ATOM 0 HD2 ARG A 104 -3.530 -1.029 10.220 1.00 1.26 H new ATOM 0 HD3 ARG A 104 -2.305 -1.480 9.050 1.00 1.26 H new ATOM 0 HE ARG A 104 -1.725 1.164 9.952 1.00 1.50 H new ATOM 0 HH11 ARG A 104 -1.787 -2.162 11.152 1.00 1.78 H new ATOM 0 HH12 ARG A 104 -0.530 -1.868 12.358 1.00 1.78 H new ATOM 0 HH21 ARG A 104 -0.116 1.530 11.496 1.00 2.71 H new ATOM 0 HH22 ARG A 104 0.414 0.217 12.552 1.00 2.71 H new ATOM 1397 N VAL A 105 -2.152 3.599 5.394 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.205 4.279 4.536 1.00 0.31 C ATOM 1399 C VAL A 105 0.128 4.439 5.258 1.00 0.31 C ATOM 1400 O VAL A 105 0.172 4.790 6.437 1.00 0.41 O ATOM 1401 CB VAL A 105 -1.752 5.644 4.060 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.063 5.442 3.308 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -1.946 6.603 5.226 1.00 0.71 C ATOM 0 H VAL A 105 -2.808 4.212 5.878 1.00 0.31 H new ATOM 0 HA VAL A 105 -1.048 3.670 3.645 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.019 6.090 3.388 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.444 6.407 2.975 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -2.891 4.802 2.443 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -3.792 4.972 3.968 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.332 7.553 4.856 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -2.655 6.175 5.935 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -0.991 6.769 5.724 1.00 0.71 H new ATOM 1413 N ARG A 106 1.215 4.128 4.571 1.00 0.31 N ATOM 1414 CA ARG A 106 2.526 4.159 5.196 1.00 0.35 C ATOM 1415 C ARG A 106 3.377 5.254 4.574 1.00 0.29 C ATOM 1416 O ARG A 106 3.738 5.178 3.400 1.00 0.31 O ATOM 1417 CB ARG A 106 3.250 2.807 5.067 1.00 0.46 C ATOM 1418 CG ARG A 106 2.447 1.593 5.530 1.00 0.79 C ATOM 1419 CD ARG A 106 1.694 1.856 6.828 1.00 0.87 C ATOM 1420 NE ARG A 106 2.587 1.997 7.977 1.00 1.30 N ATOM 1421 CZ ARG A 106 2.536 3.005 8.848 1.00 1.70 C ATOM 1422 NH1 ARG A 106 1.720 4.034 8.645 1.00 1.88 N ATOM 1423 NH2 ARG A 106 3.312 2.994 9.924 1.00 2.63 N ATOM 0 H ARG A 106 1.216 3.853 3.589 1.00 0.31 H new ATOM 0 HA ARG A 106 2.379 4.365 6.256 1.00 0.35 H new ATOM 0 HB2 ARG A 106 3.530 2.661 4.024 1.00 0.46 H new ATOM 0 HB3 ARG A 106 4.175 2.852 5.642 1.00 0.46 H new ATOM 0 HG2 ARG A 106 1.737 1.312 4.752 1.00 0.79 H new ATOM 0 HG3 ARG A 106 3.120 0.747 5.668 1.00 0.79 H new ATOM 0 HD2 ARG A 106 1.099 2.763 6.721 1.00 0.87 H new ATOM 0 HD3 ARG A 106 0.998 1.038 7.012 1.00 0.87 H new ATOM 0 HE ARG A 106 3.295 1.277 8.122 1.00 1.30 H new ATOM 0 HH11 ARG A 106 1.125 4.058 7.817 1.00 1.88 H new ATOM 0 HH12 ARG A 106 1.688 4.800 9.317 1.00 1.88 H new ATOM 0 HH21 ARG A 106 3.949 2.214 10.086 1.00 2.63 H new ATOM 0 HH22 ARG A 106 3.272 3.766 10.590 1.00 2.63 H new ATOM 1437 N THR A 107 3.679 6.274 5.360 1.00 0.34 N ATOM 1438 CA THR A 107 4.516 7.364 4.896 1.00 0.36 C ATOM 1439 C THR A 107 5.988 6.995 5.056 1.00 0.40 C ATOM 1440 O THR A 107 6.395 6.435 6.080 1.00 0.56 O ATOM 1441 CB THR A 107 4.200 8.679 5.648 1.00 0.50 C ATOM 1442 OG1 THR A 107 5.003 9.750 5.138 1.00 0.56 O ATOM 1443 CG2 THR A 107 4.432 8.535 7.147 1.00 0.64 C ATOM 0 H THR A 107 3.356 6.369 6.323 1.00 0.34 H new ATOM 0 HA THR A 107 4.303 7.530 3.840 1.00 0.36 H new ATOM 0 HB THR A 107 3.146 8.905 5.485 1.00 0.50 H new ATOM 0 HG1 THR A 107 4.439 10.368 4.628 1.00 0.56 H new ATOM 0 HG21 THR A 107 4.200 9.477 7.643 1.00 0.64 H new ATOM 0 HG22 THR A 107 3.787 7.749 7.541 1.00 0.64 H new ATOM 0 HG23 THR A 107 5.475 8.275 7.331 1.00 0.64 H new ATOM 1451 N VAL A 108 6.774 7.265 4.025 1.00 0.44 N ATOM 1452 CA VAL A 108 8.191 6.950 4.052 1.00 0.60 C ATOM 1453 C VAL A 108 9.029 8.126 3.582 1.00 0.68 C ATOM 1454 O VAL A 108 8.544 9.016 2.881 1.00 0.86 O ATOM 1455 CB VAL A 108 8.527 5.728 3.173 1.00 0.71 C ATOM 1456 CG1 VAL A 108 7.804 4.493 3.676 1.00 1.34 C ATOM 1457 CG2 VAL A 108 8.187 6.000 1.714 1.00 0.97 C ATOM 0 H VAL A 108 6.453 7.701 3.161 1.00 0.44 H new ATOM 0 HA VAL A 108 8.430 6.720 5.090 1.00 0.60 H new ATOM 0 HB VAL A 108 9.599 5.545 3.239 1.00 0.71 H new ATOM 0 HG11 VAL A 108 8.054 3.642 3.043 1.00 1.34 H new ATOM 0 HG12 VAL A 108 8.110 4.285 4.701 1.00 1.34 H new ATOM 0 HG13 VAL A 108 6.728 4.664 3.646 1.00 1.34 H new ATOM 0 HG21 VAL A 108 8.433 5.124 1.114 1.00 0.97 H new ATOM 0 HG22 VAL A 108 7.122 6.216 1.623 1.00 0.97 H new ATOM 0 HG23 VAL A 108 8.762 6.855 1.360 1.00 0.97 H new ATOM 1467 N THR A 109 10.280 8.131 4.000 1.00 0.68 N ATOM 1468 CA THR A 109 11.246 9.102 3.522 1.00 0.78 C ATOM 1469 C THR A 109 12.506 8.398 3.026 1.00 0.71 C ATOM 1470 O THR A 109 13.347 8.995 2.359 1.00 0.88 O ATOM 1471 CB THR A 109 11.619 10.099 4.632 1.00 0.96 C ATOM 1472 OG1 THR A 109 11.818 9.393 5.865 1.00 1.22 O ATOM 1473 CG2 THR A 109 10.536 11.154 4.810 1.00 1.11 C ATOM 0 H THR A 109 10.654 7.466 4.677 1.00 0.68 H new ATOM 0 HA THR A 109 10.789 9.650 2.698 1.00 0.78 H new ATOM 0 HB THR A 109 12.541 10.605 4.344 1.00 0.96 H new ATOM 0 HG1 THR A 109 12.057 10.029 6.571 1.00 1.22 H new ATOM 0 HG21 THR A 109 10.827 11.845 5.601 1.00 1.11 H new ATOM 0 HG22 THR A 109 10.407 11.704 3.878 1.00 1.11 H new ATOM 0 HG23 THR A 109 9.597 10.670 5.079 1.00 1.11 H new ATOM 1481 N SER A 110 12.624 7.114 3.353 1.00 0.59 N ATOM 1482 CA SER A 110 13.793 6.327 2.985 1.00 0.54 C ATOM 1483 C SER A 110 13.422 4.843 2.883 1.00 0.49 C ATOM 1484 O SER A 110 12.534 4.362 3.593 1.00 0.51 O ATOM 1485 CB SER A 110 14.902 6.530 4.026 1.00 0.62 C ATOM 1486 OG SER A 110 15.289 7.893 4.097 1.00 0.93 O ATOM 0 H SER A 110 11.918 6.595 3.876 1.00 0.59 H new ATOM 0 HA SER A 110 14.155 6.659 2.012 1.00 0.54 H new ATOM 0 HB2 SER A 110 14.554 6.196 5.003 1.00 0.62 H new ATOM 0 HB3 SER A 110 15.765 5.916 3.768 1.00 0.62 H new ATOM 0 HG SER A 110 15.995 7.998 4.768 1.00 0.93 H new ATOM 1492 N PRO A 111 14.111 4.113 1.971 1.00 0.49 N ATOM 1493 CA PRO A 111 13.808 2.708 1.625 1.00 0.49 C ATOM 1494 C PRO A 111 13.733 1.772 2.821 1.00 0.45 C ATOM 1495 O PRO A 111 13.008 0.778 2.788 1.00 0.50 O ATOM 1496 CB PRO A 111 14.984 2.303 0.736 1.00 0.58 C ATOM 1497 CG PRO A 111 15.446 3.575 0.124 1.00 0.60 C ATOM 1498 CD PRO A 111 15.252 4.623 1.180 1.00 0.54 C ATOM 0 HA PRO A 111 12.826 2.634 1.159 1.00 0.49 H new ATOM 0 HB2 PRO A 111 15.777 1.832 1.317 1.00 0.58 H new ATOM 0 HB3 PRO A 111 14.677 1.585 -0.025 1.00 0.58 H new ATOM 0 HG2 PRO A 111 16.492 3.509 -0.176 1.00 0.60 H new ATOM 0 HG3 PRO A 111 14.872 3.810 -0.772 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.144 4.743 1.795 1.00 0.54 H new ATOM 0 HD3 PRO A 111 15.033 5.597 0.743 1.00 0.54 H new ATOM 1506 N ASP A 112 14.486 2.087 3.865 1.00 0.47 N ATOM 1507 CA ASP A 112 14.564 1.229 5.041 1.00 0.49 C ATOM 1508 C ASP A 112 13.220 1.124 5.737 1.00 0.43 C ATOM 1509 O ASP A 112 12.809 0.040 6.148 1.00 0.45 O ATOM 1510 CB ASP A 112 15.612 1.749 6.025 1.00 0.60 C ATOM 1511 CG ASP A 112 16.988 1.846 5.408 1.00 1.16 C ATOM 1512 OD1 ASP A 112 17.796 0.909 5.582 1.00 1.71 O ATOM 1513 OD2 ASP A 112 17.266 2.858 4.738 1.00 2.04 O ATOM 0 H ASP A 112 15.054 2.933 3.923 1.00 0.47 H new ATOM 0 HA ASP A 112 14.857 0.236 4.699 1.00 0.49 H new ATOM 0 HB2 ASP A 112 15.310 2.732 6.387 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.652 1.089 6.891 1.00 0.60 H new ATOM 1518 N GLU A 113 12.534 2.246 5.864 1.00 0.43 N ATOM 1519 CA GLU A 113 11.236 2.259 6.517 1.00 0.45 C ATOM 1520 C GLU A 113 10.171 1.717 5.577 1.00 0.37 C ATOM 1521 O GLU A 113 9.199 1.107 6.013 1.00 0.40 O ATOM 1522 CB GLU A 113 10.879 3.669 6.982 1.00 0.57 C ATOM 1523 CG GLU A 113 11.891 4.251 7.955 1.00 0.78 C ATOM 1524 CD GLU A 113 12.143 3.347 9.145 1.00 1.46 C ATOM 1525 OE1 GLU A 113 11.396 3.441 10.141 1.00 2.21 O ATOM 1526 OE2 GLU A 113 13.099 2.544 9.098 1.00 2.13 O ATOM 0 H GLU A 113 12.851 3.155 5.526 1.00 0.43 H new ATOM 0 HA GLU A 113 11.283 1.616 7.396 1.00 0.45 H new ATOM 0 HB2 GLU A 113 10.802 4.323 6.113 1.00 0.57 H new ATOM 0 HB3 GLU A 113 9.897 3.651 7.456 1.00 0.57 H new ATOM 0 HG2 GLU A 113 12.831 4.428 7.433 1.00 0.78 H new ATOM 0 HG3 GLU A 113 11.535 5.219 8.308 1.00 0.78 H new ATOM 1533 N ALA A 114 10.378 1.920 4.281 1.00 0.37 N ATOM 1534 CA ALA A 114 9.458 1.413 3.273 1.00 0.39 C ATOM 1535 C ALA A 114 9.403 -0.106 3.315 1.00 0.36 C ATOM 1536 O ALA A 114 8.328 -0.697 3.421 1.00 0.38 O ATOM 1537 CB ALA A 114 9.868 1.891 1.889 1.00 0.48 C ATOM 0 H ALA A 114 11.176 2.433 3.905 1.00 0.37 H new ATOM 0 HA ALA A 114 8.463 1.800 3.492 1.00 0.39 H new ATOM 0 HB1 ALA A 114 9.169 1.503 1.148 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.857 2.981 1.862 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.872 1.533 1.663 1.00 0.48 H new ATOM 1543 N LYS A 115 10.571 -0.733 3.255 1.00 0.38 N ATOM 1544 CA LYS A 115 10.657 -2.183 3.315 1.00 0.45 C ATOM 1545 C LYS A 115 10.253 -2.681 4.701 1.00 0.39 C ATOM 1546 O LYS A 115 9.781 -3.808 4.857 1.00 0.44 O ATOM 1547 CB LYS A 115 12.064 -2.664 2.928 1.00 0.57 C ATOM 1548 CG LYS A 115 13.178 -2.295 3.894 1.00 0.75 C ATOM 1549 CD LYS A 115 14.525 -2.727 3.331 1.00 0.77 C ATOM 1550 CE LYS A 115 15.681 -2.409 4.263 1.00 1.22 C ATOM 1551 NZ LYS A 115 16.978 -2.849 3.685 1.00 1.53 N ATOM 0 H LYS A 115 11.470 -0.259 3.165 1.00 0.38 H new ATOM 0 HA LYS A 115 9.960 -2.605 2.591 1.00 0.45 H new ATOM 0 HB2 LYS A 115 12.041 -3.749 2.826 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.310 -2.257 1.947 1.00 0.57 H new ATOM 0 HG2 LYS A 115 13.177 -1.219 4.069 1.00 0.75 H new ATOM 0 HG3 LYS A 115 13.008 -2.775 4.858 1.00 0.75 H new ATOM 0 HD2 LYS A 115 14.505 -3.799 3.136 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.689 -2.232 2.374 1.00 0.77 H new ATOM 0 HE2 LYS A 115 15.711 -1.337 4.455 1.00 1.22 H new ATOM 0 HE3 LYS A 115 15.523 -2.901 5.223 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 17.726 -2.759 4.402 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 16.905 -3.842 3.383 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 17.212 -2.254 2.864 1.00 1.53 H new ATOM 1565 N ARG A 116 10.442 -1.823 5.699 1.00 0.36 N ATOM 1566 CA ARG A 116 10.043 -2.120 7.068 1.00 0.39 C ATOM 1567 C ARG A 116 8.539 -2.364 7.170 1.00 0.35 C ATOM 1568 O ARG A 116 8.109 -3.433 7.612 1.00 0.42 O ATOM 1569 CB ARG A 116 10.435 -0.965 7.990 1.00 0.50 C ATOM 1570 CG ARG A 116 9.920 -1.116 9.409 1.00 1.14 C ATOM 1571 CD ARG A 116 10.185 0.128 10.238 1.00 1.65 C ATOM 1572 NE ARG A 116 9.626 0.007 11.582 1.00 2.40 N ATOM 1573 CZ ARG A 116 9.690 0.961 12.508 1.00 3.29 C ATOM 1574 NH1 ARG A 116 10.270 2.126 12.237 1.00 3.61 N ATOM 1575 NH2 ARG A 116 9.170 0.751 13.710 1.00 4.21 N ATOM 0 H ARG A 116 10.874 -0.907 5.581 1.00 0.36 H new ATOM 0 HA ARG A 116 10.560 -3.029 7.375 1.00 0.39 H new ATOM 0 HB2 ARG A 116 11.522 -0.884 8.014 1.00 0.50 H new ATOM 0 HB3 ARG A 116 10.055 -0.033 7.572 1.00 0.50 H new ATOM 0 HG2 ARG A 116 8.849 -1.318 9.388 1.00 1.14 H new ATOM 0 HG3 ARG A 116 10.397 -1.976 9.880 1.00 1.14 H new ATOM 0 HD2 ARG A 116 11.259 0.300 10.304 1.00 1.65 H new ATOM 0 HD3 ARG A 116 9.753 0.996 9.740 1.00 1.65 H new ATOM 0 HE ARG A 116 9.156 -0.865 11.827 1.00 2.40 H new ATOM 0 HH11 ARG A 116 10.670 2.294 11.314 1.00 3.61 H new ATOM 0 HH12 ARG A 116 10.315 2.852 12.952 1.00 3.61 H new ATOM 0 HH21 ARG A 116 8.722 -0.140 13.923 1.00 4.21 H new ATOM 0 HH22 ARG A 116 9.218 1.481 14.421 1.00 4.21 H new ATOM 1589 N TRP A 117 7.746 -1.376 6.747 1.00 0.31 N ATOM 1590 CA TRP A 117 6.298 -1.438 6.889 1.00 0.32 C ATOM 1591 C TRP A 117 5.729 -2.668 6.195 1.00 0.30 C ATOM 1592 O TRP A 117 4.810 -3.307 6.701 1.00 0.36 O ATOM 1593 CB TRP A 117 5.638 -0.181 6.313 1.00 0.36 C ATOM 1594 CG TRP A 117 6.105 1.111 6.924 1.00 0.40 C ATOM 1595 CD1 TRP A 117 6.421 2.259 6.252 1.00 0.47 C ATOM 1596 CD2 TRP A 117 6.304 1.397 8.316 1.00 0.56 C ATOM 1597 NE1 TRP A 117 6.798 3.239 7.136 1.00 0.53 N ATOM 1598 CE2 TRP A 117 6.739 2.736 8.407 1.00 0.60 C ATOM 1599 CE3 TRP A 117 6.161 0.658 9.494 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 7.028 3.344 9.624 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 6.448 1.264 10.701 1.00 0.98 C ATOM 1602 CH2 TRP A 117 6.877 2.595 10.758 1.00 0.99 C ATOM 0 H TRP A 117 8.088 -0.524 6.303 1.00 0.31 H new ATOM 0 HA TRP A 117 6.080 -1.501 7.955 1.00 0.32 H new ATOM 0 HB2 TRP A 117 5.826 -0.148 5.240 1.00 0.36 H new ATOM 0 HB3 TRP A 117 4.559 -0.261 6.446 1.00 0.36 H new ATOM 0 HD1 TRP A 117 6.380 2.378 5.179 1.00 0.47 H new ATOM 0 HE1 TRP A 117 7.077 4.188 6.886 1.00 0.53 H new ATOM 0 HE3 TRP A 117 5.831 -0.370 9.461 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 7.360 4.371 9.672 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 6.340 0.701 11.617 1.00 0.98 H new ATOM 0 HH2 TRP A 117 7.093 3.040 11.718 1.00 0.99 H new ATOM 1613 N ILE A 118 6.293 -2.995 5.042 1.00 0.29 N ATOM 1614 CA ILE A 118 5.808 -4.107 4.238 1.00 0.32 C ATOM 1615 C ILE A 118 6.012 -5.447 4.947 1.00 0.36 C ATOM 1616 O ILE A 118 5.118 -6.294 4.952 1.00 0.40 O ATOM 1617 CB ILE A 118 6.496 -4.124 2.854 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.178 -2.825 2.104 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.052 -5.335 2.044 1.00 0.51 C ATOM 1620 CD1 ILE A 118 6.849 -2.715 0.753 1.00 0.57 C ATOM 0 H ILE A 118 7.091 -2.503 4.640 1.00 0.29 H new ATOM 0 HA ILE A 118 4.737 -3.963 4.096 1.00 0.32 H new ATOM 0 HB ILE A 118 7.574 -4.196 2.997 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.099 -2.750 1.970 1.00 0.44 H new ATOM 0 HG13 ILE A 118 6.482 -1.978 2.719 1.00 0.44 H new ATOM 0 HG21 ILE A 118 6.549 -5.326 1.074 1.00 0.51 H new ATOM 0 HG22 ILE A 118 6.316 -6.247 2.579 1.00 0.51 H new ATOM 0 HG23 ILE A 118 4.972 -5.300 1.899 1.00 0.51 H new ATOM 0 HD11 ILE A 118 6.574 -1.769 0.286 1.00 0.57 H new ATOM 0 HD12 ILE A 118 7.931 -2.757 0.880 1.00 0.57 H new ATOM 0 HD13 ILE A 118 6.526 -3.540 0.118 1.00 0.57 H new ATOM 1632 N LYS A 119 7.174 -5.632 5.565 1.00 0.41 N ATOM 1633 CA LYS A 119 7.468 -6.887 6.254 1.00 0.53 C ATOM 1634 C LYS A 119 6.630 -7.030 7.518 1.00 0.55 C ATOM 1635 O LYS A 119 6.092 -8.101 7.794 1.00 0.67 O ATOM 1636 CB LYS A 119 8.953 -7.000 6.604 1.00 0.63 C ATOM 1637 CG LYS A 119 9.861 -7.098 5.393 1.00 1.09 C ATOM 1638 CD LYS A 119 11.283 -7.517 5.758 1.00 1.34 C ATOM 1639 CE LYS A 119 11.986 -6.501 6.649 1.00 2.05 C ATOM 1640 NZ LYS A 119 11.694 -6.714 8.093 1.00 2.66 N ATOM 0 H LYS A 119 7.921 -4.939 5.604 1.00 0.41 H new ATOM 0 HA LYS A 119 7.212 -7.694 5.568 1.00 0.53 H new ATOM 0 HB2 LYS A 119 9.244 -6.132 7.196 1.00 0.63 H new ATOM 0 HB3 LYS A 119 9.103 -7.879 7.231 1.00 0.63 H new ATOM 0 HG2 LYS A 119 9.444 -7.817 4.688 1.00 1.09 H new ATOM 0 HG3 LYS A 119 9.889 -6.134 4.886 1.00 1.09 H new ATOM 0 HD2 LYS A 119 11.254 -8.481 6.266 1.00 1.34 H new ATOM 0 HD3 LYS A 119 11.862 -7.655 4.845 1.00 1.34 H new ATOM 0 HE2 LYS A 119 13.062 -6.562 6.486 1.00 2.05 H new ATOM 0 HE3 LYS A 119 11.677 -5.496 6.363 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 11.239 -5.865 8.484 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 11.057 -7.529 8.202 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 12.581 -6.898 8.603 1.00 2.66 H new ATOM 1654 N GLU A 120 6.506 -5.946 8.276 1.00 0.51 N ATOM 1655 CA GLU A 120 5.748 -5.979 9.524 1.00 0.63 C ATOM 1656 C GLU A 120 4.262 -6.176 9.246 1.00 0.60 C ATOM 1657 O GLU A 120 3.541 -6.746 10.061 1.00 0.79 O ATOM 1658 CB GLU A 120 5.970 -4.700 10.335 1.00 0.71 C ATOM 1659 CG GLU A 120 7.426 -4.462 10.703 1.00 1.43 C ATOM 1660 CD GLU A 120 7.595 -3.422 11.792 1.00 1.83 C ATOM 1661 OE1 GLU A 120 7.605 -3.800 12.982 1.00 2.48 O ATOM 1662 OE2 GLU A 120 7.732 -2.225 11.473 1.00 2.33 O ATOM 0 H GLU A 120 6.917 -5.040 8.052 1.00 0.51 H new ATOM 0 HA GLU A 120 6.108 -6.824 10.111 1.00 0.63 H new ATOM 0 HB2 GLU A 120 5.604 -3.848 9.763 1.00 0.71 H new ATOM 0 HB3 GLU A 120 5.376 -4.750 11.248 1.00 0.71 H new ATOM 0 HG2 GLU A 120 7.871 -5.401 11.032 1.00 1.43 H new ATOM 0 HG3 GLU A 120 7.973 -4.144 9.815 1.00 1.43 H new ATOM 1669 N PHE A 121 3.823 -5.704 8.088 1.00 0.44 N ATOM 1670 CA PHE A 121 2.438 -5.852 7.658 1.00 0.43 C ATOM 1671 C PHE A 121 2.159 -7.282 7.204 1.00 0.46 C ATOM 1672 O PHE A 121 1.043 -7.785 7.332 1.00 0.54 O ATOM 1673 CB PHE A 121 2.158 -4.868 6.524 1.00 0.38 C ATOM 1674 CG PHE A 121 0.797 -4.991 5.905 1.00 0.43 C ATOM 1675 CD1 PHE A 121 -0.340 -4.714 6.642 1.00 1.37 C ATOM 1676 CD2 PHE A 121 0.658 -5.361 4.577 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -1.591 -4.805 6.068 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -0.590 -5.455 3.998 1.00 1.23 C ATOM 1679 CZ PHE A 121 -1.716 -5.176 4.745 1.00 0.67 C ATOM 0 H PHE A 121 4.414 -5.209 7.421 1.00 0.44 H new ATOM 0 HA PHE A 121 1.779 -5.636 8.499 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.278 -3.854 6.904 1.00 0.38 H new ATOM 0 HB3 PHE A 121 2.909 -5.008 5.747 1.00 0.38 H new ATOM 0 HD1 PHE A 121 -0.247 -4.423 7.678 1.00 1.37 H new ATOM 0 HD2 PHE A 121 1.537 -5.578 3.989 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -2.472 -4.586 6.654 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -0.686 -5.746 2.962 1.00 1.23 H new ATOM 0 HZ PHE A 121 -2.695 -5.248 4.294 1.00 0.67 H new ATOM 1689 N SER A 122 3.180 -7.929 6.667 1.00 0.44 N ATOM 1690 CA SER A 122 3.053 -9.300 6.212 1.00 0.50 C ATOM 1691 C SER A 122 3.132 -10.261 7.393 1.00 0.58 C ATOM 1692 O SER A 122 2.412 -11.262 7.448 1.00 0.80 O ATOM 1693 CB SER A 122 4.149 -9.616 5.193 1.00 0.57 C ATOM 1694 OG SER A 122 4.008 -10.925 4.667 1.00 1.31 O ATOM 0 H SER A 122 4.107 -7.524 6.536 1.00 0.44 H new ATOM 0 HA SER A 122 2.082 -9.423 5.733 1.00 0.50 H new ATOM 0 HB2 SER A 122 4.112 -8.890 4.380 1.00 0.57 H new ATOM 0 HB3 SER A 122 5.126 -9.516 5.665 1.00 0.57 H new ATOM 0 HG SER A 122 4.862 -11.400 4.739 1.00 1.31 H new ATOM 1700 N GLU A 123 4.001 -9.950 8.342 1.00 0.63 N ATOM 1701 CA GLU A 123 4.202 -10.803 9.497 1.00 0.81 C ATOM 1702 C GLU A 123 3.581 -10.168 10.740 1.00 0.92 C ATOM 1703 O GLU A 123 4.285 -9.630 11.599 1.00 1.44 O ATOM 1704 CB GLU A 123 5.700 -11.048 9.708 1.00 1.25 C ATOM 1705 CG GLU A 123 6.031 -12.417 10.292 1.00 1.57 C ATOM 1706 CD GLU A 123 5.373 -12.673 11.631 1.00 1.91 C ATOM 1707 OE1 GLU A 123 4.331 -13.368 11.667 1.00 2.53 O ATOM 1708 OE2 GLU A 123 5.890 -12.187 12.654 1.00 2.37 O ATOM 0 H GLU A 123 4.579 -9.110 8.332 1.00 0.63 H new ATOM 0 HA GLU A 123 3.712 -11.760 9.322 1.00 0.81 H new ATOM 0 HB2 GLU A 123 6.213 -10.939 8.753 1.00 1.25 H new ATOM 0 HB3 GLU A 123 6.093 -10.277 10.371 1.00 1.25 H new ATOM 0 HG2 GLU A 123 5.719 -13.189 9.589 1.00 1.57 H new ATOM 0 HG3 GLU A 123 7.112 -12.505 10.404 1.00 1.57 H new