USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 446 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD Set 1.1: A 24 GLN : amide:sc= -1.51 K(o=-1.5,f=0.0095) USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 3 MET CE :methyl 150:sc= -0.108 (180deg=-0.484) USER MOD Set 2.2: A 5 THR OG1 : rot 64:sc= 0.04 USER MOD Single : A 1 SER N :NH3+ -168:sc= -0.138 (180deg=-0.139) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.015) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0.437 (180deg=0.289) USER MOD Single : A 30 SER OG : rot 61:sc= 0.448 USER MOD Single : A 32 LYS NZ :NH3+ -164:sc= -0.103 (180deg=-0.46) USER MOD Single : A 36 ASN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.344 K(o=-0.34,f=-4!) USER MOD Single : A 38 HIS : no HE2:sc= -0.012 K(o=-0.012,f=-1.6) USER MOD Single : A 40 MET CE :methyl -167:sc= -0.0237 (180deg=-0.261) USER MOD Single : A 41 ASN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= 0.534 (180deg=0.496) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 98:sc= 1.42 USER MOD Single : A 51 THR OG1 : rot -31:sc= 0.209 USER MOD Single : A 60 LYS NZ :NH3+ -143:sc= 0.204 (180deg=-0.883) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.587 12.100 -7.435 1.00 0.00 N ATOM 2 CA SER A 1 2.766 11.118 -8.167 1.00 0.00 C ATOM 3 C SER A 1 3.623 10.232 -9.094 1.00 0.00 C ATOM 4 O SER A 1 3.113 9.269 -9.685 1.00 0.00 O ATOM 5 CB SER A 1 1.684 11.874 -8.958 1.00 0.00 C ATOM 6 OG SER A 1 0.907 12.695 -8.097 1.00 0.00 O ATOM 0 H1 SER A 1 3.018 12.535 -6.681 1.00 0.00 H new ATOM 0 H2 SER A 1 4.409 11.621 -7.016 1.00 0.00 H new ATOM 0 H3 SER A 1 3.913 12.838 -8.091 1.00 0.00 H new ATOM 0 HA SER A 1 2.293 10.445 -7.452 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.152 12.488 -9.727 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.037 11.161 -9.469 1.00 0.00 H new ATOM 0 HG SER A 1 0.227 13.167 -8.621 1.00 0.00 H new ATOM 14 N HIS A 2 4.927 10.563 -9.214 1.00 0.00 N ATOM 15 CA HIS A 2 5.880 9.816 -10.060 1.00 0.00 C ATOM 16 C HIS A 2 6.448 8.606 -9.285 1.00 0.00 C ATOM 17 O HIS A 2 6.848 8.731 -8.117 1.00 0.00 O ATOM 18 CB HIS A 2 7.031 10.750 -10.548 1.00 0.00 C ATOM 19 CG HIS A 2 7.909 11.307 -9.450 1.00 0.00 C ATOM 20 ND1 HIS A 2 9.155 10.791 -9.205 1.00 0.00 N ATOM 21 CD2 HIS A 2 7.673 12.315 -8.570 1.00 0.00 C ATOM 22 CE1 HIS A 2 9.646 11.481 -8.197 1.00 0.00 C ATOM 23 NE2 HIS A 2 8.787 12.417 -7.779 1.00 0.00 N ATOM 0 H HIS A 2 5.347 11.355 -8.727 1.00 0.00 H new ATOM 0 HA HIS A 2 5.350 9.446 -10.938 1.00 0.00 H new ATOM 0 HB2 HIS A 2 7.657 10.196 -11.247 1.00 0.00 H new ATOM 0 HB3 HIS A 2 6.594 11.582 -11.101 1.00 0.00 H new ATOM 0 HD2 HIS A 2 6.780 12.919 -8.506 1.00 0.00 H new ATOM 0 HE1 HIS A 2 10.620 11.312 -7.762 1.00 0.00 H new ATOM 0 HE2 HIS A 2 8.933 13.080 -7.017 1.00 0.00 H new ATOM 31 N MET A 3 6.452 7.437 -9.945 1.00 0.00 N ATOM 32 CA MET A 3 7.054 6.203 -9.415 1.00 0.00 C ATOM 33 C MET A 3 7.293 5.221 -10.587 1.00 0.00 C ATOM 34 O MET A 3 6.438 4.361 -10.861 1.00 0.00 O ATOM 35 CB MET A 3 6.156 5.573 -8.304 1.00 0.00 C ATOM 36 CG MET A 3 6.790 4.384 -7.554 1.00 0.00 C ATOM 37 SD MET A 3 5.683 3.650 -6.322 1.00 0.00 S ATOM 38 CE MET A 3 4.329 3.059 -7.343 1.00 0.00 C ATOM 0 H MET A 3 6.034 7.321 -10.868 1.00 0.00 H new ATOM 0 HA MET A 3 8.011 6.433 -8.947 1.00 0.00 H new ATOM 0 HB2 MET A 3 5.902 6.347 -7.580 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.222 5.242 -8.757 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.079 3.620 -8.275 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.703 4.718 -7.061 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.880 2.181 -6.879 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.578 3.843 -7.440 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.707 2.794 -8.330 1.00 0.00 H new ATOM 48 N PRO A 4 8.426 5.392 -11.361 1.00 0.00 N ATOM 49 CA PRO A 4 8.802 4.473 -12.464 1.00 0.00 C ATOM 50 C PRO A 4 9.131 3.059 -11.943 1.00 0.00 C ATOM 51 O PRO A 4 10.288 2.733 -11.653 1.00 0.00 O ATOM 52 CB PRO A 4 10.033 5.165 -13.133 1.00 0.00 C ATOM 53 CG PRO A 4 9.982 6.585 -12.646 1.00 0.00 C ATOM 54 CD PRO A 4 9.396 6.512 -11.255 1.00 0.00 C ATOM 0 HA PRO A 4 7.990 4.315 -13.173 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.966 4.680 -12.844 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.972 5.117 -14.220 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.977 7.031 -12.630 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.366 7.203 -13.300 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.161 6.314 -10.504 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.907 7.445 -10.973 1.00 0.00 H new ATOM 62 N THR A 5 8.078 2.249 -11.785 1.00 0.00 N ATOM 63 CA THR A 5 8.178 0.887 -11.262 1.00 0.00 C ATOM 64 C THR A 5 8.445 -0.095 -12.421 1.00 0.00 C ATOM 65 O THR A 5 7.512 -0.634 -13.025 1.00 0.00 O ATOM 66 CB THR A 5 6.873 0.507 -10.476 1.00 0.00 C ATOM 67 OG1 THR A 5 6.596 1.503 -9.481 1.00 0.00 O ATOM 68 CG2 THR A 5 6.975 -0.868 -9.795 1.00 0.00 C ATOM 0 H THR A 5 7.125 2.526 -12.020 1.00 0.00 H new ATOM 0 HA THR A 5 9.012 0.827 -10.563 1.00 0.00 H new ATOM 0 HB THR A 5 6.065 0.459 -11.206 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.407 2.359 -9.919 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.046 -1.082 -9.266 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.148 -1.636 -10.549 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.803 -0.863 -9.087 1.00 0.00 H new ATOM 76 N SER A 6 9.733 -0.226 -12.790 1.00 0.00 N ATOM 77 CA SER A 6 10.189 -1.229 -13.767 1.00 0.00 C ATOM 78 C SER A 6 10.198 -2.603 -13.082 1.00 0.00 C ATOM 79 O SER A 6 11.162 -2.952 -12.393 1.00 0.00 O ATOM 80 CB SER A 6 11.591 -0.861 -14.307 1.00 0.00 C ATOM 81 OG SER A 6 12.063 -1.823 -15.237 1.00 0.00 O ATOM 0 H SER A 6 10.483 0.358 -12.420 1.00 0.00 H new ATOM 0 HA SER A 6 9.512 -1.256 -14.621 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.552 0.118 -14.784 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.292 -0.783 -13.476 1.00 0.00 H new ATOM 0 HG SER A 6 12.950 -1.559 -15.559 1.00 0.00 H new ATOM 87 N GLU A 7 9.096 -3.351 -13.245 1.00 0.00 N ATOM 88 CA GLU A 7 8.852 -4.590 -12.485 1.00 0.00 C ATOM 89 C GLU A 7 8.000 -5.572 -13.322 1.00 0.00 C ATOM 90 O GLU A 7 7.642 -5.277 -14.473 1.00 0.00 O ATOM 91 CB GLU A 7 8.192 -4.202 -11.121 1.00 0.00 C ATOM 92 CG GLU A 7 8.491 -5.160 -9.939 1.00 0.00 C ATOM 93 CD GLU A 7 8.435 -4.453 -8.572 1.00 0.00 C ATOM 94 OE1 GLU A 7 7.338 -4.291 -8.010 1.00 0.00 O ATOM 95 OE2 GLU A 7 9.499 -4.021 -8.066 1.00 0.00 O ATOM 0 H GLU A 7 8.352 -3.117 -13.903 1.00 0.00 H new ATOM 0 HA GLU A 7 9.784 -5.114 -12.272 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.525 -3.201 -10.848 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.112 -4.152 -11.261 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.772 -5.979 -9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.478 -5.601 -10.075 1.00 0.00 H new ATOM 102 N GLU A 8 7.711 -6.750 -12.747 1.00 0.00 N ATOM 103 CA GLU A 8 7.021 -7.853 -13.444 1.00 0.00 C ATOM 104 C GLU A 8 5.484 -7.625 -13.500 1.00 0.00 C ATOM 105 O GLU A 8 4.963 -6.712 -12.845 1.00 0.00 O ATOM 106 CB GLU A 8 7.370 -9.189 -12.704 1.00 0.00 C ATOM 107 CG GLU A 8 6.904 -10.491 -13.393 1.00 0.00 C ATOM 108 CD GLU A 8 7.452 -10.634 -14.822 1.00 0.00 C ATOM 109 OE1 GLU A 8 8.620 -11.042 -14.984 1.00 0.00 O ATOM 110 OE2 GLU A 8 6.729 -10.304 -15.788 1.00 0.00 O ATOM 0 H GLU A 8 7.950 -6.968 -11.780 1.00 0.00 H new ATOM 0 HA GLU A 8 7.361 -7.900 -14.479 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.451 -9.237 -12.575 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.932 -9.153 -11.707 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.224 -11.347 -12.798 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.815 -10.512 -13.422 1.00 0.00 H new ATOM 117 N ASP A 9 4.788 -8.442 -14.333 1.00 0.00 N ATOM 118 CA ASP A 9 3.326 -8.608 -14.317 1.00 0.00 C ATOM 119 C ASP A 9 2.929 -9.278 -13.001 1.00 0.00 C ATOM 120 O ASP A 9 2.684 -10.492 -12.927 1.00 0.00 O ATOM 121 CB ASP A 9 2.838 -9.464 -15.519 1.00 0.00 C ATOM 122 CG ASP A 9 3.014 -8.762 -16.864 1.00 0.00 C ATOM 123 OD1 ASP A 9 2.087 -8.048 -17.298 1.00 0.00 O ATOM 124 OD2 ASP A 9 4.080 -8.919 -17.492 1.00 0.00 O ATOM 0 H ASP A 9 5.245 -9.011 -15.046 1.00 0.00 H new ATOM 0 HA ASP A 9 2.856 -7.628 -14.402 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.386 -10.406 -15.533 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.785 -9.710 -15.379 1.00 0.00 H new ATOM 129 N LEU A 10 2.967 -8.473 -11.948 1.00 0.00 N ATOM 130 CA LEU A 10 2.635 -8.888 -10.590 1.00 0.00 C ATOM 131 C LEU A 10 1.124 -8.933 -10.401 1.00 0.00 C ATOM 132 O LEU A 10 0.383 -8.227 -11.095 1.00 0.00 O ATOM 133 CB LEU A 10 3.299 -7.933 -9.569 1.00 0.00 C ATOM 134 CG LEU A 10 4.860 -7.920 -9.590 1.00 0.00 C ATOM 135 CD1 LEU A 10 5.425 -6.906 -8.571 1.00 0.00 C ATOM 136 CD2 LEU A 10 5.446 -9.342 -9.357 1.00 0.00 C ATOM 0 H LEU A 10 3.235 -7.491 -12.015 1.00 0.00 H new ATOM 0 HA LEU A 10 3.021 -9.893 -10.420 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.940 -6.921 -9.756 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.967 -8.209 -8.568 1.00 0.00 H new ATOM 0 HG LEU A 10 5.171 -7.599 -10.584 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.514 -6.920 -8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.066 -5.906 -8.816 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.094 -7.175 -7.568 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.535 -9.295 -9.378 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.118 -9.716 -8.387 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.097 -10.013 -10.142 1.00 0.00 H new ATOM 148 N CYS A 11 0.687 -9.800 -9.486 1.00 0.00 N ATOM 149 CA CYS A 11 -0.703 -9.872 -9.053 1.00 0.00 C ATOM 150 C CYS A 11 -1.098 -8.525 -8.408 1.00 0.00 C ATOM 151 O CYS A 11 -0.524 -8.165 -7.381 1.00 0.00 O ATOM 152 CB CYS A 11 -0.875 -11.022 -8.039 1.00 0.00 C ATOM 153 SG CYS A 11 -2.525 -11.097 -7.296 1.00 0.00 S ATOM 0 H CYS A 11 1.295 -10.476 -9.023 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.349 -10.066 -9.909 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.668 -11.969 -8.538 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.134 -10.910 -7.247 1.00 0.00 H new ATOM 158 N PRO A 12 -2.076 -7.759 -8.993 1.00 0.00 N ATOM 159 CA PRO A 12 -2.416 -6.379 -8.530 1.00 0.00 C ATOM 160 C PRO A 12 -3.003 -6.336 -7.098 1.00 0.00 C ATOM 161 O PRO A 12 -3.211 -5.253 -6.545 1.00 0.00 O ATOM 162 CB PRO A 12 -3.430 -5.891 -9.597 1.00 0.00 C ATOM 163 CG PRO A 12 -4.033 -7.146 -10.155 1.00 0.00 C ATOM 164 CD PRO A 12 -2.926 -8.169 -10.149 1.00 0.00 C ATOM 0 HA PRO A 12 -1.534 -5.743 -8.450 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.192 -5.249 -9.154 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.936 -5.309 -10.375 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.876 -7.478 -9.549 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.410 -6.984 -11.165 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.315 -9.180 -10.023 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.365 -8.158 -11.083 1.00 0.00 H new ATOM 172 N ILE A 13 -3.279 -7.526 -6.527 1.00 0.00 N ATOM 173 CA ILE A 13 -3.680 -7.693 -5.122 1.00 0.00 C ATOM 174 C ILE A 13 -2.415 -7.917 -4.246 1.00 0.00 C ATOM 175 O ILE A 13 -2.181 -7.181 -3.282 1.00 0.00 O ATOM 176 CB ILE A 13 -4.692 -8.905 -4.933 1.00 0.00 C ATOM 177 CG1 ILE A 13 -6.057 -8.670 -5.683 1.00 0.00 C ATOM 178 CG2 ILE A 13 -4.950 -9.201 -3.428 1.00 0.00 C ATOM 179 CD1 ILE A 13 -6.014 -8.817 -7.200 1.00 0.00 C ATOM 0 H ILE A 13 -3.228 -8.407 -7.038 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.195 -6.785 -4.809 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.214 -9.775 -5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.792 -9.372 -5.289 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.414 -7.668 -5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.646 -10.035 -3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.009 -9.458 -2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.376 -8.318 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.007 -8.634 -7.612 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.310 -8.096 -7.616 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.694 -9.826 -7.459 1.00 0.00 H new ATOM 191 N CYS A 14 -1.596 -8.917 -4.619 1.00 0.00 N ATOM 192 CA CYS A 14 -0.462 -9.382 -3.788 1.00 0.00 C ATOM 193 C CYS A 14 0.798 -8.527 -3.989 1.00 0.00 C ATOM 194 O CYS A 14 1.333 -7.981 -3.029 1.00 0.00 O ATOM 195 CB CYS A 14 -0.110 -10.854 -4.110 1.00 0.00 C ATOM 196 SG CYS A 14 -1.429 -12.055 -3.760 1.00 0.00 S ATOM 0 H CYS A 14 -1.697 -9.425 -5.498 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.787 -9.289 -2.752 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.155 -10.926 -5.165 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.775 -11.133 -3.539 1.00 0.00 H new ATOM 201 N TYR A 15 1.267 -8.476 -5.259 1.00 0.00 N ATOM 202 CA TYR A 15 2.568 -7.887 -5.697 1.00 0.00 C ATOM 203 C TYR A 15 3.768 -8.802 -5.343 1.00 0.00 C ATOM 204 O TYR A 15 4.717 -8.889 -6.106 1.00 0.00 O ATOM 205 CB TYR A 15 2.800 -6.443 -5.176 1.00 0.00 C ATOM 206 CG TYR A 15 1.747 -5.421 -5.634 1.00 0.00 C ATOM 207 CD1 TYR A 15 1.777 -4.882 -6.923 1.00 0.00 C ATOM 208 CD2 TYR A 15 0.723 -5.001 -4.776 1.00 0.00 C ATOM 209 CE1 TYR A 15 0.833 -3.965 -7.329 1.00 0.00 C ATOM 210 CE2 TYR A 15 -0.218 -4.080 -5.183 1.00 0.00 C ATOM 211 CZ TYR A 15 -0.162 -3.567 -6.459 1.00 0.00 C ATOM 212 OH TYR A 15 -1.094 -2.646 -6.869 1.00 0.00 O ATOM 0 H TYR A 15 0.734 -8.857 -6.041 1.00 0.00 H new ATOM 0 HA TYR A 15 2.501 -7.818 -6.783 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.819 -6.462 -4.086 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.783 -6.105 -5.506 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.551 -5.189 -7.610 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.670 -5.407 -3.776 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.871 -3.557 -8.328 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.996 -3.762 -4.504 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.726 -2.474 -6.140 1.00 0.00 H new ATOM 222 N ALA A 16 3.706 -9.486 -4.178 1.00 0.00 N ATOM 223 CA ALA A 16 4.751 -10.425 -3.703 1.00 0.00 C ATOM 224 C ALA A 16 4.977 -11.599 -4.680 1.00 0.00 C ATOM 225 O ALA A 16 6.075 -12.157 -4.734 1.00 0.00 O ATOM 226 CB ALA A 16 4.380 -10.951 -2.310 1.00 0.00 C ATOM 0 H ALA A 16 2.920 -9.401 -3.533 1.00 0.00 H new ATOM 0 HA ALA A 16 5.690 -9.874 -3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.150 -11.641 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.302 -10.115 -1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.423 -11.471 -2.360 1.00 0.00 H new ATOM 232 N HIS A 17 3.923 -11.965 -5.443 1.00 0.00 N ATOM 233 CA HIS A 17 3.970 -13.019 -6.483 1.00 0.00 C ATOM 234 C HIS A 17 3.242 -12.530 -7.769 1.00 0.00 C ATOM 235 O HIS A 17 2.367 -11.652 -7.676 1.00 0.00 O ATOM 236 CB HIS A 17 3.343 -14.344 -5.948 1.00 0.00 C ATOM 237 CG HIS A 17 4.129 -14.981 -4.832 1.00 0.00 C ATOM 238 ND1 HIS A 17 3.642 -15.137 -3.556 1.00 0.00 N ATOM 239 CD2 HIS A 17 5.383 -15.496 -4.811 1.00 0.00 C ATOM 240 CE1 HIS A 17 4.564 -15.694 -2.801 1.00 0.00 C ATOM 241 NE2 HIS A 17 5.628 -15.923 -3.537 1.00 0.00 N ATOM 0 H HIS A 17 3.004 -11.532 -5.353 1.00 0.00 H new ATOM 0 HA HIS A 17 5.011 -13.223 -6.735 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.331 -14.141 -5.597 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.258 -15.053 -6.771 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.063 -15.557 -5.648 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.463 -15.925 -1.751 1.00 0.00 H new ATOM 0 HE2 HIS A 17 6.495 -16.350 -3.210 1.00 0.00 H new ATOM 250 N PRO A 18 3.597 -13.080 -8.982 1.00 0.00 N ATOM 251 CA PRO A 18 3.035 -12.622 -10.287 1.00 0.00 C ATOM 252 C PRO A 18 1.569 -13.062 -10.552 1.00 0.00 C ATOM 253 O PRO A 18 0.830 -13.438 -9.630 1.00 0.00 O ATOM 254 CB PRO A 18 4.013 -13.250 -11.313 1.00 0.00 C ATOM 255 CG PRO A 18 4.453 -14.517 -10.656 1.00 0.00 C ATOM 256 CD PRO A 18 4.605 -14.173 -9.191 1.00 0.00 C ATOM 0 HA PRO A 18 2.966 -11.535 -10.333 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.522 -13.443 -12.267 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.857 -12.591 -11.517 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.720 -15.310 -10.800 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.394 -14.872 -11.077 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.402 -15.033 -8.553 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.616 -13.837 -8.960 1.00 0.00 H new ATOM 264 N ILE A 19 1.156 -12.936 -11.826 1.00 0.00 N ATOM 265 CA ILE A 19 -0.161 -13.385 -12.318 1.00 0.00 C ATOM 266 C ILE A 19 -0.121 -14.895 -12.670 1.00 0.00 C ATOM 267 O ILE A 19 0.928 -15.421 -13.054 1.00 0.00 O ATOM 268 CB ILE A 19 -0.577 -12.539 -13.584 1.00 0.00 C ATOM 269 CG1 ILE A 19 -0.648 -11.007 -13.232 1.00 0.00 C ATOM 270 CG2 ILE A 19 -1.919 -13.031 -14.180 1.00 0.00 C ATOM 271 CD1 ILE A 19 -0.879 -10.075 -14.418 1.00 0.00 C ATOM 0 H ILE A 19 1.734 -12.514 -12.553 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.901 -13.234 -11.532 1.00 0.00 H new ATOM 0 HB ILE A 19 0.191 -12.681 -14.344 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.450 -10.854 -12.509 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.282 -10.720 -12.742 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.174 -12.426 -15.050 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.823 -14.075 -14.479 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.705 -12.939 -13.431 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.912 -9.043 -14.069 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.066 -10.190 -15.135 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.825 -10.326 -14.899 1.00 0.00 H new ATOM 283 N SER A 20 -1.272 -15.578 -12.532 1.00 0.00 N ATOM 284 CA SER A 20 -1.403 -17.027 -12.791 1.00 0.00 C ATOM 285 C SER A 20 -2.723 -17.349 -13.531 1.00 0.00 C ATOM 286 O SER A 20 -2.814 -18.359 -14.239 1.00 0.00 O ATOM 287 CB SER A 20 -1.362 -17.786 -11.449 1.00 0.00 C ATOM 288 OG SER A 20 -0.297 -17.336 -10.634 1.00 0.00 O ATOM 0 H SER A 20 -2.144 -15.139 -12.236 1.00 0.00 H new ATOM 0 HA SER A 20 -0.575 -17.341 -13.427 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.307 -17.650 -10.923 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.252 -18.854 -11.637 1.00 0.00 H new ATOM 0 HG SER A 20 -0.298 -17.834 -9.790 1.00 0.00 H new ATOM 294 N ALA A 21 -3.745 -16.490 -13.346 1.00 0.00 N ATOM 295 CA ALA A 21 -5.100 -16.710 -13.876 1.00 0.00 C ATOM 296 C ALA A 21 -5.688 -15.391 -14.409 1.00 0.00 C ATOM 297 O ALA A 21 -5.492 -14.320 -13.813 1.00 0.00 O ATOM 298 CB ALA A 21 -6.007 -17.317 -12.784 1.00 0.00 C ATOM 0 H ALA A 21 -3.650 -15.620 -12.822 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.044 -17.415 -14.705 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.007 -17.475 -13.188 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.593 -18.270 -12.456 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.062 -16.634 -11.936 1.00 0.00 H new ATOM 304 N VAL A 22 -6.393 -15.480 -15.549 1.00 0.00 N ATOM 305 CA VAL A 22 -7.106 -14.348 -16.165 1.00 0.00 C ATOM 306 C VAL A 22 -8.621 -14.462 -15.883 1.00 0.00 C ATOM 307 O VAL A 22 -9.195 -15.564 -15.902 1.00 0.00 O ATOM 308 CB VAL A 22 -6.832 -14.266 -17.721 1.00 0.00 C ATOM 309 CG1 VAL A 22 -7.204 -15.574 -18.457 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.549 -13.050 -18.362 1.00 0.00 C ATOM 0 H VAL A 22 -6.485 -16.349 -16.075 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.730 -13.427 -15.719 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.757 -14.127 -17.836 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.997 -15.464 -19.521 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.614 -16.398 -18.055 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.264 -15.783 -18.314 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.338 -13.025 -19.431 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.624 -13.138 -18.206 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.189 -12.131 -17.900 1.00 0.00 H new ATOM 320 N PHE A 23 -9.247 -13.308 -15.596 1.00 0.00 N ATOM 321 CA PHE A 23 -10.697 -13.192 -15.376 1.00 0.00 C ATOM 322 C PHE A 23 -11.368 -12.951 -16.732 1.00 0.00 C ATOM 323 O PHE A 23 -11.521 -11.804 -17.175 1.00 0.00 O ATOM 324 CB PHE A 23 -11.009 -12.055 -14.357 1.00 0.00 C ATOM 325 CG PHE A 23 -10.200 -12.126 -13.056 1.00 0.00 C ATOM 326 CD1 PHE A 23 -9.870 -13.356 -12.481 1.00 0.00 C ATOM 327 CD2 PHE A 23 -9.767 -10.966 -12.413 1.00 0.00 C ATOM 328 CE1 PHE A 23 -9.137 -13.419 -11.322 1.00 0.00 C ATOM 329 CE2 PHE A 23 -9.035 -11.031 -11.252 1.00 0.00 C ATOM 330 CZ PHE A 23 -8.721 -12.262 -10.706 1.00 0.00 C ATOM 0 H PHE A 23 -8.754 -12.419 -15.509 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.092 -14.111 -14.943 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.820 -11.094 -14.835 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.071 -12.086 -14.112 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.196 -14.270 -12.955 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.011 -10.002 -12.834 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.887 -14.378 -10.893 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.706 -10.124 -10.767 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.147 -12.315 -9.793 1.00 0.00 H new ATOM 340 N GLN A 24 -11.702 -14.056 -17.402 1.00 0.00 N ATOM 341 CA GLN A 24 -12.215 -14.060 -18.777 1.00 0.00 C ATOM 342 C GLN A 24 -13.751 -13.834 -18.777 1.00 0.00 C ATOM 343 O GLN A 24 -14.446 -14.387 -17.910 1.00 0.00 O ATOM 344 CB GLN A 24 -11.810 -15.417 -19.421 1.00 0.00 C ATOM 345 CG GLN A 24 -12.261 -15.642 -20.879 1.00 0.00 C ATOM 346 CD GLN A 24 -11.659 -16.891 -21.538 1.00 0.00 C ATOM 347 OE1 GLN A 24 -11.481 -16.936 -22.751 1.00 0.00 O ATOM 348 NE2 GLN A 24 -11.332 -17.901 -20.757 1.00 0.00 N ATOM 0 H GLN A 24 -11.623 -14.990 -16.999 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.789 -13.247 -19.364 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.724 -15.504 -19.381 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -12.217 -16.222 -18.809 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.348 -15.720 -20.903 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.991 -14.767 -21.470 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.490 -17.840 -19.751 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.921 -18.744 -21.158 1.00 0.00 H new ATOM 357 N PRO A 25 -14.322 -13.016 -19.739 1.00 0.00 N ATOM 358 CA PRO A 25 -13.600 -12.369 -20.875 1.00 0.00 C ATOM 359 C PRO A 25 -13.150 -10.912 -20.614 1.00 0.00 C ATOM 360 O PRO A 25 -12.777 -10.215 -21.562 1.00 0.00 O ATOM 361 CB PRO A 25 -14.692 -12.434 -21.965 1.00 0.00 C ATOM 362 CG PRO A 25 -15.974 -12.158 -21.227 1.00 0.00 C ATOM 363 CD PRO A 25 -15.770 -12.675 -19.805 1.00 0.00 C ATOM 0 HA PRO A 25 -12.655 -12.859 -21.110 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.517 -11.696 -22.747 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -14.714 -13.411 -22.448 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.199 -11.092 -21.224 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.814 -12.660 -21.706 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.034 -11.919 -19.066 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.393 -13.547 -19.606 1.00 0.00 H new ATOM 371 N CYS A 26 -13.159 -10.483 -19.330 1.00 0.00 N ATOM 372 CA CYS A 26 -12.881 -9.086 -18.943 1.00 0.00 C ATOM 373 C CYS A 26 -11.480 -8.613 -19.372 1.00 0.00 C ATOM 374 O CYS A 26 -11.350 -7.643 -20.132 1.00 0.00 O ATOM 375 CB CYS A 26 -13.036 -8.898 -17.429 1.00 0.00 C ATOM 376 SG CYS A 26 -12.604 -7.216 -16.888 1.00 0.00 S ATOM 0 H CYS A 26 -13.359 -11.095 -18.539 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.614 -8.476 -19.470 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -14.065 -9.115 -17.143 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.402 -9.617 -16.910 1.00 0.00 H new ATOM 381 N GLY A 27 -10.437 -9.301 -18.877 1.00 0.00 N ATOM 382 CA GLY A 27 -9.051 -8.927 -19.159 1.00 0.00 C ATOM 383 C GLY A 27 -8.232 -8.684 -17.900 1.00 0.00 C ATOM 384 O GLY A 27 -7.008 -8.859 -17.931 1.00 0.00 O ATOM 0 H GLY A 27 -10.534 -10.121 -18.278 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.580 -9.716 -19.745 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.041 -8.025 -19.772 1.00 0.00 H new ATOM 388 N HIS A 28 -8.902 -8.241 -16.794 1.00 0.00 N ATOM 389 CA HIS A 28 -8.260 -8.142 -15.456 1.00 0.00 C ATOM 390 C HIS A 28 -7.667 -9.507 -15.070 1.00 0.00 C ATOM 391 O HIS A 28 -8.280 -10.543 -15.332 1.00 0.00 O ATOM 392 CB HIS A 28 -9.255 -7.696 -14.338 1.00 0.00 C ATOM 393 CG HIS A 28 -9.542 -6.219 -14.242 1.00 0.00 C ATOM 394 ND1 HIS A 28 -10.826 -5.756 -14.158 1.00 0.00 N ATOM 395 CD2 HIS A 28 -8.690 -5.169 -14.134 1.00 0.00 C ATOM 396 CE1 HIS A 28 -10.734 -4.446 -13.998 1.00 0.00 C ATOM 397 NE2 HIS A 28 -9.461 -4.050 -13.975 1.00 0.00 N ATOM 0 H HIS A 28 -9.879 -7.950 -16.807 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.483 -7.381 -15.533 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.199 -8.217 -14.494 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.861 -8.030 -13.378 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.611 -5.209 -14.167 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.581 -3.783 -13.899 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.125 -3.094 -13.861 1.00 0.00 H new ATOM 405 N LYS A 29 -6.475 -9.496 -14.471 1.00 0.00 N ATOM 406 CA LYS A 29 -5.752 -10.718 -14.090 1.00 0.00 C ATOM 407 C LYS A 29 -5.292 -10.641 -12.626 1.00 0.00 C ATOM 408 O LYS A 29 -5.378 -9.581 -11.994 1.00 0.00 O ATOM 409 CB LYS A 29 -4.533 -10.909 -15.022 1.00 0.00 C ATOM 410 CG LYS A 29 -4.861 -10.992 -16.524 1.00 0.00 C ATOM 411 CD LYS A 29 -3.607 -11.186 -17.403 1.00 0.00 C ATOM 412 CE LYS A 29 -3.936 -11.154 -18.897 1.00 0.00 C ATOM 413 NZ LYS A 29 -4.572 -9.876 -19.303 1.00 0.00 N ATOM 0 H LYS A 29 -5.979 -8.637 -14.234 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.423 -11.571 -14.192 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.841 -10.082 -14.863 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.012 -11.821 -14.730 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.550 -11.819 -16.695 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.375 -10.081 -16.829 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.882 -10.404 -17.176 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.137 -12.138 -17.157 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.022 -11.302 -19.472 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.602 -11.982 -19.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.638 -9.835 -20.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.526 -9.817 -18.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.998 -9.079 -18.961 1.00 0.00 H new ATOM 427 N SER A 30 -4.796 -11.783 -12.121 1.00 0.00 N ATOM 428 CA SER A 30 -4.299 -11.949 -10.742 1.00 0.00 C ATOM 429 C SER A 30 -3.713 -13.359 -10.599 1.00 0.00 C ATOM 430 O SER A 30 -3.753 -14.145 -11.541 1.00 0.00 O ATOM 431 CB SER A 30 -5.450 -11.734 -9.723 1.00 0.00 C ATOM 432 OG SER A 30 -5.033 -11.885 -8.379 1.00 0.00 O ATOM 0 H SER A 30 -4.727 -12.638 -12.673 1.00 0.00 H new ATOM 0 HA SER A 30 -3.527 -11.208 -10.537 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.866 -10.736 -9.859 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.250 -12.444 -9.932 1.00 0.00 H new ATOM 0 HG SER A 30 -4.348 -11.216 -8.172 1.00 0.00 H new ATOM 438 N CYS A 31 -3.154 -13.680 -9.420 1.00 0.00 N ATOM 439 CA CYS A 31 -2.703 -15.049 -9.115 1.00 0.00 C ATOM 440 C CYS A 31 -3.928 -15.912 -8.775 1.00 0.00 C ATOM 441 O CYS A 31 -4.953 -15.384 -8.291 1.00 0.00 O ATOM 442 CB CYS A 31 -1.703 -15.064 -7.950 1.00 0.00 C ATOM 443 SG CYS A 31 -2.447 -14.823 -6.299 1.00 0.00 S ATOM 0 H CYS A 31 -3.004 -13.012 -8.664 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.192 -15.453 -9.989 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.171 -16.016 -7.958 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.961 -14.283 -8.116 1.00 0.00 H new ATOM 448 N LYS A 32 -3.813 -17.230 -9.005 1.00 0.00 N ATOM 449 CA LYS A 32 -4.932 -18.176 -8.858 1.00 0.00 C ATOM 450 C LYS A 32 -5.397 -18.274 -7.384 1.00 0.00 C ATOM 451 O LYS A 32 -6.575 -18.523 -7.116 1.00 0.00 O ATOM 452 CB LYS A 32 -4.524 -19.574 -9.387 1.00 0.00 C ATOM 453 CG LYS A 32 -5.677 -20.609 -9.355 1.00 0.00 C ATOM 454 CD LYS A 32 -5.219 -22.054 -9.651 1.00 0.00 C ATOM 455 CE LYS A 32 -6.342 -23.073 -9.419 1.00 0.00 C ATOM 456 NZ LYS A 32 -6.846 -23.024 -8.021 1.00 0.00 N ATOM 0 H LYS A 32 -2.941 -17.670 -9.298 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.768 -17.802 -9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.164 -19.475 -10.411 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.692 -19.950 -8.791 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.152 -20.581 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.434 -20.320 -10.084 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.876 -22.121 -10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.368 -22.302 -9.016 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.162 -22.875 -10.109 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.975 -24.076 -9.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.396 -23.883 -7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.042 -22.966 -7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.453 -22.188 -7.900 1.00 0.00 H new ATOM 470 N ALA A 33 -4.454 -18.056 -6.446 1.00 0.00 N ATOM 471 CA ALA A 33 -4.724 -18.093 -4.995 1.00 0.00 C ATOM 472 C ALA A 33 -5.806 -17.068 -4.595 1.00 0.00 C ATOM 473 O ALA A 33 -6.716 -17.390 -3.827 1.00 0.00 O ATOM 474 CB ALA A 33 -3.422 -17.853 -4.202 1.00 0.00 C ATOM 0 H ALA A 33 -3.482 -17.849 -6.674 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.106 -19.084 -4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.636 -17.883 -3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.697 -18.629 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.012 -16.877 -4.463 1.00 0.00 H new ATOM 480 N CYS A 34 -5.693 -15.846 -5.165 1.00 0.00 N ATOM 481 CA CYS A 34 -6.651 -14.743 -4.932 1.00 0.00 C ATOM 482 C CYS A 34 -8.070 -15.129 -5.348 1.00 0.00 C ATOM 483 O CYS A 34 -9.011 -14.978 -4.569 1.00 0.00 O ATOM 484 CB CYS A 34 -6.227 -13.451 -5.681 1.00 0.00 C ATOM 485 SG CYS A 34 -5.005 -12.446 -4.803 1.00 0.00 S ATOM 0 H CYS A 34 -4.934 -15.598 -5.800 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.642 -14.548 -3.860 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.821 -13.726 -6.655 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.114 -12.845 -5.865 1.00 0.00 H new ATOM 490 N ILE A 35 -8.211 -15.624 -6.591 1.00 0.00 N ATOM 491 CA ILE A 35 -9.530 -15.891 -7.173 1.00 0.00 C ATOM 492 C ILE A 35 -10.175 -17.136 -6.538 1.00 0.00 C ATOM 493 O ILE A 35 -11.373 -17.152 -6.341 1.00 0.00 O ATOM 494 CB ILE A 35 -9.484 -15.984 -8.741 1.00 0.00 C ATOM 495 CG1 ILE A 35 -10.919 -16.173 -9.345 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.517 -17.083 -9.229 1.00 0.00 C ATOM 497 CD1 ILE A 35 -11.920 -15.079 -8.976 1.00 0.00 C ATOM 0 H ILE A 35 -7.428 -15.845 -7.206 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.165 -15.037 -6.938 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.094 -15.034 -9.105 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.837 -16.220 -10.431 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.314 -17.133 -9.014 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.518 -17.111 -10.319 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.510 -16.866 -8.872 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.839 -18.049 -8.841 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.883 -15.295 -9.439 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.038 -15.044 -7.893 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.554 -14.116 -9.332 1.00 0.00 H new ATOM 509 N ASN A 36 -9.367 -18.147 -6.181 1.00 0.00 N ATOM 510 CA ASN A 36 -9.856 -19.335 -5.449 1.00 0.00 C ATOM 511 C ASN A 36 -10.450 -18.916 -4.086 1.00 0.00 C ATOM 512 O ASN A 36 -11.521 -19.393 -3.691 1.00 0.00 O ATOM 513 CB ASN A 36 -8.718 -20.365 -5.255 1.00 0.00 C ATOM 514 CG ASN A 36 -9.144 -21.619 -4.478 1.00 0.00 C ATOM 515 OD1 ASN A 36 -9.618 -22.599 -5.055 1.00 0.00 O ATOM 516 ND2 ASN A 36 -8.992 -21.595 -3.161 1.00 0.00 N ATOM 0 H ASN A 36 -8.368 -18.169 -6.387 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.642 -19.806 -6.040 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.341 -20.665 -6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.892 -19.886 -4.729 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.270 -22.401 -2.601 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.597 -20.771 -2.708 1.00 0.00 H new ATOM 523 N GLN A 37 -9.738 -17.999 -3.405 1.00 0.00 N ATOM 524 CA GLN A 37 -10.181 -17.407 -2.126 1.00 0.00 C ATOM 525 C GLN A 37 -11.450 -16.553 -2.327 1.00 0.00 C ATOM 526 O GLN A 37 -12.326 -16.508 -1.461 1.00 0.00 O ATOM 527 CB GLN A 37 -9.037 -16.540 -1.518 1.00 0.00 C ATOM 528 CG GLN A 37 -9.341 -15.912 -0.132 1.00 0.00 C ATOM 529 CD GLN A 37 -9.436 -16.923 1.028 1.00 0.00 C ATOM 530 OE1 GLN A 37 -9.819 -18.082 0.859 1.00 0.00 O ATOM 531 NE2 GLN A 37 -9.107 -16.476 2.229 1.00 0.00 N ATOM 0 H GLN A 37 -8.837 -17.646 -3.726 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.422 -18.215 -1.435 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.144 -17.158 -1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.801 -15.738 -2.217 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.563 -15.185 0.101 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.281 -15.363 -0.195 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.792 -15.513 2.346 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.168 -17.095 3.038 1.00 0.00 H new ATOM 540 N HIS A 38 -11.530 -15.891 -3.492 1.00 0.00 N ATOM 541 CA HIS A 38 -12.650 -15.010 -3.852 1.00 0.00 C ATOM 542 C HIS A 38 -13.925 -15.835 -4.083 1.00 0.00 C ATOM 543 O HIS A 38 -14.985 -15.478 -3.586 1.00 0.00 O ATOM 544 CB HIS A 38 -12.287 -14.195 -5.112 1.00 0.00 C ATOM 545 CG HIS A 38 -13.245 -13.083 -5.457 1.00 0.00 C ATOM 546 ND1 HIS A 38 -13.183 -11.866 -4.820 1.00 0.00 N ATOM 547 CD2 HIS A 38 -14.238 -13.043 -6.375 1.00 0.00 C ATOM 548 CE1 HIS A 38 -14.124 -11.124 -5.366 1.00 0.00 C ATOM 549 NE2 HIS A 38 -14.793 -11.795 -6.303 1.00 0.00 N ATOM 0 H HIS A 38 -10.813 -15.953 -4.215 1.00 0.00 H new ATOM 0 HA HIS A 38 -12.840 -14.318 -3.032 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.294 -13.767 -4.975 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.226 -14.876 -5.961 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -12.540 -11.594 -4.077 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.535 -13.843 -7.037 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.328 -10.100 -5.089 1.00 0.00 H new ATOM 557 N LEU A 39 -13.772 -16.979 -4.796 1.00 0.00 N ATOM 558 CA LEU A 39 -14.885 -17.882 -5.189 1.00 0.00 C ATOM 559 C LEU A 39 -15.530 -18.571 -3.972 1.00 0.00 C ATOM 560 O LEU A 39 -16.627 -19.119 -4.078 1.00 0.00 O ATOM 561 CB LEU A 39 -14.391 -18.935 -6.223 1.00 0.00 C ATOM 562 CG LEU A 39 -13.910 -18.367 -7.603 1.00 0.00 C ATOM 563 CD1 LEU A 39 -13.183 -19.446 -8.443 1.00 0.00 C ATOM 564 CD2 LEU A 39 -15.072 -17.723 -8.392 1.00 0.00 C ATOM 0 H LEU A 39 -12.861 -17.305 -5.119 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.656 -17.267 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.570 -19.496 -5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.199 -19.643 -6.405 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.187 -17.579 -7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.865 -19.015 -9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.311 -19.806 -7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.861 -20.278 -8.632 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.699 -17.341 -9.342 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.843 -18.470 -8.579 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.495 -16.903 -7.812 1.00 0.00 H new ATOM 576 N MET A 40 -14.836 -18.513 -2.816 1.00 0.00 N ATOM 577 CA MET A 40 -15.369 -18.981 -1.516 1.00 0.00 C ATOM 578 C MET A 40 -16.580 -18.127 -1.060 1.00 0.00 C ATOM 579 O MET A 40 -17.322 -18.537 -0.172 1.00 0.00 O ATOM 580 CB MET A 40 -14.254 -18.968 -0.425 1.00 0.00 C ATOM 581 CG MET A 40 -13.056 -19.886 -0.722 1.00 0.00 C ATOM 582 SD MET A 40 -13.497 -21.641 -0.780 1.00 0.00 S ATOM 583 CE MET A 40 -13.999 -21.962 0.914 1.00 0.00 C ATOM 0 H MET A 40 -13.889 -18.140 -2.756 1.00 0.00 H new ATOM 0 HA MET A 40 -15.713 -20.006 -1.651 1.00 0.00 H new ATOM 0 HB2 MET A 40 -13.892 -17.947 -0.307 1.00 0.00 H new ATOM 0 HB3 MET A 40 -14.693 -19.263 0.528 1.00 0.00 H new ATOM 0 HG2 MET A 40 -12.614 -19.598 -1.676 1.00 0.00 H new ATOM 0 HG3 MET A 40 -12.293 -19.735 0.042 1.00 0.00 H new ATOM 0 HE1 MET A 40 -14.072 -23.038 1.074 1.00 0.00 H new ATOM 0 HE2 MET A 40 -13.261 -21.543 1.598 1.00 0.00 H new ATOM 0 HE3 MET A 40 -14.969 -21.501 1.100 1.00 0.00 H new ATOM 593 N ASN A 41 -16.760 -16.941 -1.672 1.00 0.00 N ATOM 594 CA ASN A 41 -17.927 -16.066 -1.438 1.00 0.00 C ATOM 595 C ASN A 41 -18.489 -15.563 -2.783 1.00 0.00 C ATOM 596 O ASN A 41 -19.584 -15.958 -3.191 1.00 0.00 O ATOM 597 CB ASN A 41 -17.548 -14.866 -0.520 1.00 0.00 C ATOM 598 CG ASN A 41 -18.745 -13.971 -0.140 1.00 0.00 C ATOM 599 OD1 ASN A 41 -18.626 -12.751 -0.082 1.00 0.00 O ATOM 600 ND2 ASN A 41 -19.889 -14.569 0.179 1.00 0.00 N ATOM 0 H ASN A 41 -16.097 -16.560 -2.347 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.697 -16.647 -0.930 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -17.089 -15.249 0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -16.797 -14.258 -1.024 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -20.689 -14.012 0.479 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -19.966 -15.585 0.124 1.00 0.00 H new ATOM 607 N ASN A 42 -17.713 -14.705 -3.474 1.00 0.00 N ATOM 608 CA ASN A 42 -18.152 -13.985 -4.700 1.00 0.00 C ATOM 609 C ASN A 42 -17.498 -14.583 -5.957 1.00 0.00 C ATOM 610 O ASN A 42 -16.455 -15.215 -5.881 1.00 0.00 O ATOM 611 CB ASN A 42 -17.799 -12.481 -4.576 1.00 0.00 C ATOM 612 CG ASN A 42 -18.531 -11.778 -3.422 1.00 0.00 C ATOM 613 OD1 ASN A 42 -19.698 -12.066 -3.137 1.00 0.00 O ATOM 614 ND2 ASN A 42 -17.851 -10.874 -2.735 1.00 0.00 N ATOM 0 H ASN A 42 -16.755 -14.486 -3.200 1.00 0.00 H new ATOM 0 HA ASN A 42 -19.232 -14.096 -4.799 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -16.724 -12.378 -4.431 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -18.044 -11.979 -5.512 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -18.289 -10.396 -1.948 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -16.888 -10.656 -2.992 1.00 0.00 H new ATOM 621 N LYS A 43 -18.128 -14.376 -7.126 1.00 0.00 N ATOM 622 CA LYS A 43 -17.614 -14.877 -8.428 1.00 0.00 C ATOM 623 C LYS A 43 -17.262 -13.682 -9.335 1.00 0.00 C ATOM 624 O LYS A 43 -17.228 -13.799 -10.567 1.00 0.00 O ATOM 625 CB LYS A 43 -18.662 -15.823 -9.116 1.00 0.00 C ATOM 626 CG LYS A 43 -19.032 -17.116 -8.323 1.00 0.00 C ATOM 627 CD LYS A 43 -19.977 -16.855 -7.126 1.00 0.00 C ATOM 628 CE LYS A 43 -20.206 -18.095 -6.245 1.00 0.00 C ATOM 629 NZ LYS A 43 -21.090 -17.786 -5.087 1.00 0.00 N ATOM 0 H LYS A 43 -19.004 -13.860 -7.203 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.712 -15.464 -8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -19.575 -15.255 -9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.274 -16.116 -10.091 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -19.505 -17.826 -9.001 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -18.117 -17.584 -7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.562 -16.055 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.938 -16.503 -7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -20.652 -18.890 -6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -19.248 -18.468 -5.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -21.334 -18.667 -4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -20.595 -17.147 -4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -21.960 -17.328 -5.427 1.00 0.00 H new ATOM 643 N ASP A 44 -16.960 -12.540 -8.694 1.00 0.00 N ATOM 644 CA ASP A 44 -16.749 -11.249 -9.378 1.00 0.00 C ATOM 645 C ASP A 44 -15.269 -11.025 -9.734 1.00 0.00 C ATOM 646 O ASP A 44 -14.373 -11.667 -9.183 1.00 0.00 O ATOM 647 CB ASP A 44 -17.276 -10.098 -8.485 1.00 0.00 C ATOM 648 CG ASP A 44 -18.775 -10.248 -8.172 1.00 0.00 C ATOM 649 OD1 ASP A 44 -19.590 -10.212 -9.120 1.00 0.00 O ATOM 650 OD2 ASP A 44 -19.139 -10.440 -6.995 1.00 0.00 O ATOM 0 H ASP A 44 -16.854 -12.485 -7.681 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.304 -11.265 -10.316 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.712 -10.076 -7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -17.104 -9.144 -8.984 1.00 0.00 H new ATOM 655 N CYS A 45 -15.031 -10.076 -10.646 1.00 0.00 N ATOM 656 CA CYS A 45 -13.686 -9.757 -11.169 1.00 0.00 C ATOM 657 C CYS A 45 -13.028 -8.616 -10.365 1.00 0.00 C ATOM 658 O CYS A 45 -12.535 -7.635 -10.948 1.00 0.00 O ATOM 659 CB CYS A 45 -13.826 -9.423 -12.668 1.00 0.00 C ATOM 660 SG CYS A 45 -12.309 -8.911 -13.503 1.00 0.00 S ATOM 0 H CYS A 45 -15.769 -9.499 -11.049 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.021 -10.614 -11.057 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -14.223 -10.299 -13.181 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -14.564 -8.628 -12.777 1.00 0.00 H new ATOM 665 N PHE A 46 -13.040 -8.779 -9.017 1.00 0.00 N ATOM 666 CA PHE A 46 -12.313 -7.934 -8.040 1.00 0.00 C ATOM 667 C PHE A 46 -12.578 -6.414 -8.192 1.00 0.00 C ATOM 668 O PHE A 46 -13.434 -5.853 -7.506 1.00 0.00 O ATOM 669 CB PHE A 46 -10.779 -8.247 -8.063 1.00 0.00 C ATOM 670 CG PHE A 46 -10.392 -9.585 -7.433 1.00 0.00 C ATOM 671 CD1 PHE A 46 -10.657 -10.787 -8.086 1.00 0.00 C ATOM 672 CD2 PHE A 46 -9.771 -9.635 -6.186 1.00 0.00 C ATOM 673 CE1 PHE A 46 -10.304 -11.989 -7.518 1.00 0.00 C ATOM 674 CE2 PHE A 46 -9.420 -10.840 -5.619 1.00 0.00 C ATOM 675 CZ PHE A 46 -9.686 -12.015 -6.284 1.00 0.00 C ATOM 0 H PHE A 46 -13.572 -9.525 -8.569 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.716 -8.200 -7.063 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.435 -8.234 -9.097 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.251 -7.449 -7.541 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.145 -10.775 -9.049 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.562 -8.717 -5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -10.510 -12.913 -8.038 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.937 -10.863 -4.654 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.411 -12.960 -5.839 1.00 0.00 H new ATOM 685 N PHE A 47 -11.827 -5.770 -9.113 1.00 0.00 N ATOM 686 CA PHE A 47 -11.776 -4.305 -9.260 1.00 0.00 C ATOM 687 C PHE A 47 -13.062 -3.775 -9.903 1.00 0.00 C ATOM 688 O PHE A 47 -13.817 -3.032 -9.275 1.00 0.00 O ATOM 689 CB PHE A 47 -10.529 -3.903 -10.089 1.00 0.00 C ATOM 690 CG PHE A 47 -9.223 -4.402 -9.468 1.00 0.00 C ATOM 691 CD1 PHE A 47 -8.606 -3.690 -8.441 1.00 0.00 C ATOM 692 CD2 PHE A 47 -8.641 -5.606 -9.880 1.00 0.00 C ATOM 693 CE1 PHE A 47 -7.445 -4.154 -7.855 1.00 0.00 C ATOM 694 CE2 PHE A 47 -7.478 -6.063 -9.294 1.00 0.00 C ATOM 695 CZ PHE A 47 -6.883 -5.340 -8.277 1.00 0.00 C ATOM 0 H PHE A 47 -11.234 -6.262 -9.781 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.695 -3.854 -8.271 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.624 -4.304 -11.098 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.492 -2.817 -10.180 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.042 -2.763 -8.099 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.107 -6.184 -10.665 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.976 -3.587 -7.065 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.032 -6.987 -9.631 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.978 -5.704 -7.813 1.00 0.00 H new ATOM 705 N CYS A 48 -13.320 -4.195 -11.157 1.00 0.00 N ATOM 706 CA CYS A 48 -14.531 -3.780 -11.900 1.00 0.00 C ATOM 707 C CYS A 48 -15.777 -4.533 -11.381 1.00 0.00 C ATOM 708 O CYS A 48 -16.905 -4.111 -11.637 1.00 0.00 O ATOM 709 CB CYS A 48 -14.355 -4.043 -13.403 1.00 0.00 C ATOM 710 SG CYS A 48 -14.449 -5.803 -13.837 1.00 0.00 S ATOM 0 H CYS A 48 -12.707 -4.822 -11.679 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.675 -2.712 -11.740 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.123 -3.498 -13.953 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -13.391 -3.647 -13.724 1.00 0.00 H new ATOM 715 N LYS A 49 -15.536 -5.673 -10.678 1.00 0.00 N ATOM 716 CA LYS A 49 -16.581 -6.517 -10.029 1.00 0.00 C ATOM 717 C LYS A 49 -17.527 -7.219 -11.026 1.00 0.00 C ATOM 718 O LYS A 49 -18.554 -7.759 -10.613 1.00 0.00 O ATOM 719 CB LYS A 49 -17.398 -5.700 -8.982 1.00 0.00 C ATOM 720 CG LYS A 49 -16.585 -5.199 -7.770 1.00 0.00 C ATOM 721 CD LYS A 49 -17.399 -4.255 -6.853 1.00 0.00 C ATOM 722 CE LYS A 49 -18.735 -4.869 -6.397 1.00 0.00 C ATOM 723 NZ LYS A 49 -19.500 -3.945 -5.523 1.00 0.00 N ATOM 0 H LYS A 49 -14.593 -6.039 -10.543 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.036 -7.310 -9.517 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.844 -4.840 -9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.218 -6.319 -8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.241 -6.055 -7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -15.696 -4.677 -8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.802 -4.004 -5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.595 -3.323 -7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.335 -5.122 -7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.543 -5.799 -5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.393 -4.396 -5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.938 -3.723 -4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.706 -3.067 -6.042 1.00 0.00 H new ATOM 737 N THR A 50 -17.162 -7.234 -12.316 1.00 0.00 N ATOM 738 CA THR A 50 -17.927 -7.940 -13.350 1.00 0.00 C ATOM 739 C THR A 50 -17.850 -9.462 -13.099 1.00 0.00 C ATOM 740 O THR A 50 -16.754 -9.996 -12.968 1.00 0.00 O ATOM 741 CB THR A 50 -17.362 -7.589 -14.762 1.00 0.00 C ATOM 742 OG1 THR A 50 -17.308 -6.162 -14.910 1.00 0.00 O ATOM 743 CG2 THR A 50 -18.199 -8.193 -15.903 1.00 0.00 C ATOM 0 H THR A 50 -16.332 -6.759 -12.669 1.00 0.00 H new ATOM 0 HA THR A 50 -18.970 -7.628 -13.308 1.00 0.00 H new ATOM 0 HB THR A 50 -16.364 -8.022 -14.831 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.401 -5.847 -14.713 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.760 -7.917 -16.862 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.212 -9.279 -15.809 1.00 0.00 H new ATOM 0 HG23 THR A 50 -19.219 -7.812 -15.847 1.00 0.00 H new ATOM 751 N THR A 51 -19.008 -10.143 -12.993 1.00 0.00 N ATOM 752 CA THR A 51 -19.054 -11.595 -12.736 1.00 0.00 C ATOM 753 C THR A 51 -18.336 -12.361 -13.870 1.00 0.00 C ATOM 754 O THR A 51 -18.682 -12.221 -15.055 1.00 0.00 O ATOM 755 CB THR A 51 -20.520 -12.114 -12.562 1.00 0.00 C ATOM 756 OG1 THR A 51 -21.169 -11.358 -11.528 1.00 0.00 O ATOM 757 CG2 THR A 51 -20.568 -13.615 -12.196 1.00 0.00 C ATOM 0 H THR A 51 -19.927 -9.708 -13.082 1.00 0.00 H new ATOM 0 HA THR A 51 -18.534 -11.780 -11.796 1.00 0.00 H new ATOM 0 HB THR A 51 -21.032 -11.987 -13.516 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.505 -11.072 -10.866 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.606 -13.930 -12.086 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.094 -14.198 -12.986 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.038 -13.778 -11.258 1.00 0.00 H new ATOM 765 N ILE A 52 -17.315 -13.136 -13.474 1.00 0.00 N ATOM 766 CA ILE A 52 -16.416 -13.857 -14.384 1.00 0.00 C ATOM 767 C ILE A 52 -17.153 -15.050 -15.015 1.00 0.00 C ATOM 768 O ILE A 52 -17.833 -15.802 -14.305 1.00 0.00 O ATOM 769 CB ILE A 52 -15.147 -14.368 -13.603 1.00 0.00 C ATOM 770 CG1 ILE A 52 -14.510 -13.210 -12.767 1.00 0.00 C ATOM 771 CG2 ILE A 52 -14.100 -14.988 -14.565 1.00 0.00 C ATOM 772 CD1 ILE A 52 -13.397 -13.647 -11.845 1.00 0.00 C ATOM 0 H ILE A 52 -17.088 -13.281 -12.490 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.096 -13.176 -15.173 1.00 0.00 H new ATOM 0 HB ILE A 52 -15.473 -15.151 -12.918 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.124 -12.454 -13.451 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.291 -12.734 -12.174 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -13.238 -15.330 -13.993 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -14.545 -15.833 -15.091 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -13.781 -14.237 -15.288 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -13.012 -12.783 -11.304 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -13.780 -14.379 -11.134 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -12.594 -14.095 -12.431 1.00 0.00 H new ATOM 784 N VAL A 53 -17.019 -15.200 -16.341 1.00 0.00 N ATOM 785 CA VAL A 53 -17.616 -16.322 -17.082 1.00 0.00 C ATOM 786 C VAL A 53 -16.768 -17.587 -16.876 1.00 0.00 C ATOM 787 O VAL A 53 -17.316 -18.674 -16.661 1.00 0.00 O ATOM 788 CB VAL A 53 -17.762 -15.987 -18.614 1.00 0.00 C ATOM 789 CG1 VAL A 53 -18.343 -17.179 -19.421 1.00 0.00 C ATOM 790 CG2 VAL A 53 -18.629 -14.717 -18.805 1.00 0.00 C ATOM 0 H VAL A 53 -16.496 -14.550 -16.928 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.619 -16.499 -16.694 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.763 -15.796 -19.005 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -18.425 -16.901 -20.472 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -17.682 -18.040 -19.324 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -19.330 -17.433 -19.034 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -18.722 -14.496 -19.868 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -19.619 -14.885 -18.381 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.157 -13.875 -18.300 1.00 0.00 H new ATOM 800 N SER A 54 -15.430 -17.430 -16.919 1.00 0.00 N ATOM 801 CA SER A 54 -14.490 -18.533 -16.662 1.00 0.00 C ATOM 802 C SER A 54 -13.155 -17.996 -16.119 1.00 0.00 C ATOM 803 O SER A 54 -12.612 -17.006 -16.637 1.00 0.00 O ATOM 804 CB SER A 54 -14.248 -19.337 -17.957 1.00 0.00 C ATOM 805 OG SER A 54 -13.733 -18.506 -18.986 1.00 0.00 O ATOM 0 H SER A 54 -14.976 -16.542 -17.131 1.00 0.00 H new ATOM 0 HA SER A 54 -14.929 -19.190 -15.911 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.550 -20.150 -17.759 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.182 -19.792 -18.286 1.00 0.00 H new ATOM 0 HG SER A 54 -13.587 -19.040 -19.795 1.00 0.00 H new ATOM 811 N VAL A 55 -12.643 -18.645 -15.066 1.00 0.00 N ATOM 812 CA VAL A 55 -11.293 -18.404 -14.555 1.00 0.00 C ATOM 813 C VAL A 55 -10.346 -19.325 -15.332 1.00 0.00 C ATOM 814 O VAL A 55 -10.330 -20.551 -15.121 1.00 0.00 O ATOM 815 CB VAL A 55 -11.199 -18.682 -13.010 1.00 0.00 C ATOM 816 CG1 VAL A 55 -9.776 -18.402 -12.465 1.00 0.00 C ATOM 817 CG2 VAL A 55 -12.273 -17.864 -12.248 1.00 0.00 C ATOM 0 H VAL A 55 -13.158 -19.354 -14.544 1.00 0.00 H new ATOM 0 HA VAL A 55 -11.021 -17.358 -14.695 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.397 -19.741 -12.844 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.750 -18.605 -11.394 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.058 -19.045 -12.974 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.517 -17.358 -12.643 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.195 -18.067 -11.180 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.116 -16.800 -12.427 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.265 -18.148 -12.600 1.00 0.00 H new ATOM 827 N GLU A 56 -9.600 -18.732 -16.267 1.00 0.00 N ATOM 828 CA GLU A 56 -8.760 -19.469 -17.218 1.00 0.00 C ATOM 829 C GLU A 56 -7.292 -19.367 -16.761 1.00 0.00 C ATOM 830 O GLU A 56 -6.851 -18.303 -16.313 1.00 0.00 O ATOM 831 CB GLU A 56 -8.992 -18.880 -18.644 1.00 0.00 C ATOM 832 CG GLU A 56 -8.717 -19.831 -19.838 1.00 0.00 C ATOM 833 CD GLU A 56 -7.227 -20.030 -20.141 1.00 0.00 C ATOM 834 OE1 GLU A 56 -6.616 -19.115 -20.727 1.00 0.00 O ATOM 835 OE2 GLU A 56 -6.666 -21.094 -19.799 1.00 0.00 O ATOM 0 H GLU A 56 -9.561 -17.720 -16.387 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.019 -20.527 -17.252 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.026 -18.541 -18.709 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.360 -17.999 -18.757 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.168 -20.801 -19.629 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.209 -19.435 -20.726 1.00 0.00 H new ATOM 842 N ASP A 57 -6.558 -20.485 -16.877 1.00 0.00 N ATOM 843 CA ASP A 57 -5.146 -20.592 -16.464 1.00 0.00 C ATOM 844 C ASP A 57 -4.263 -19.783 -17.435 1.00 0.00 C ATOM 845 O ASP A 57 -3.913 -20.262 -18.527 1.00 0.00 O ATOM 846 CB ASP A 57 -4.710 -22.087 -16.421 1.00 0.00 C ATOM 847 CG ASP A 57 -3.248 -22.293 -15.975 1.00 0.00 C ATOM 848 OD1 ASP A 57 -2.992 -22.356 -14.761 1.00 0.00 O ATOM 849 OD2 ASP A 57 -2.346 -22.381 -16.829 1.00 0.00 O ATOM 0 H ASP A 57 -6.931 -21.352 -17.265 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.027 -20.180 -15.462 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.368 -22.629 -15.741 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.844 -22.524 -17.410 1.00 0.00 H new ATOM 854 N TRP A 58 -3.949 -18.535 -17.046 1.00 0.00 N ATOM 855 CA TRP A 58 -3.159 -17.627 -17.877 1.00 0.00 C ATOM 856 C TRP A 58 -1.664 -17.931 -17.702 1.00 0.00 C ATOM 857 O TRP A 58 -1.149 -17.958 -16.574 1.00 0.00 O ATOM 858 CB TRP A 58 -3.459 -16.149 -17.530 1.00 0.00 C ATOM 859 CG TRP A 58 -2.721 -15.168 -18.416 1.00 0.00 C ATOM 860 CD1 TRP A 58 -3.096 -14.735 -19.659 1.00 0.00 C ATOM 861 CD2 TRP A 58 -1.463 -14.531 -18.137 1.00 0.00 C ATOM 862 NE1 TRP A 58 -2.157 -13.866 -20.159 1.00 0.00 N ATOM 863 CE2 TRP A 58 -1.149 -13.724 -19.240 1.00 0.00 C ATOM 864 CE3 TRP A 58 -0.584 -14.566 -17.053 1.00 0.00 C ATOM 865 CZ2 TRP A 58 0.010 -12.962 -19.297 1.00 0.00 C ATOM 866 CZ3 TRP A 58 0.568 -13.808 -17.106 1.00 0.00 C ATOM 867 CH2 TRP A 58 0.854 -13.014 -18.218 1.00 0.00 C ATOM 0 H TRP A 58 -4.236 -18.135 -16.153 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.435 -17.784 -18.920 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.531 -15.972 -17.617 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.189 -15.964 -16.490 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.998 -15.033 -20.172 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.202 -13.402 -21.066 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.802 -15.175 -16.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.238 -12.352 -20.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.258 -13.829 -16.275 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.761 -12.427 -18.228 1.00 0.00 H new ATOM 878 N GLU A 59 -0.962 -18.113 -18.824 1.00 0.00 N ATOM 879 CA GLU A 59 0.484 -18.352 -18.831 1.00 0.00 C ATOM 880 C GLU A 59 1.109 -17.443 -19.908 1.00 0.00 C ATOM 881 O GLU A 59 0.514 -17.247 -20.976 1.00 0.00 O ATOM 882 CB GLU A 59 0.783 -19.874 -19.075 1.00 0.00 C ATOM 883 CG GLU A 59 2.014 -20.445 -18.327 1.00 0.00 C ATOM 884 CD GLU A 59 3.347 -19.812 -18.745 1.00 0.00 C ATOM 885 OE1 GLU A 59 3.920 -20.226 -19.770 1.00 0.00 O ATOM 886 OE2 GLU A 59 3.828 -18.883 -18.059 1.00 0.00 O ATOM 0 H GLU A 59 -1.381 -18.099 -19.754 1.00 0.00 H new ATOM 0 HA GLU A 59 0.928 -18.106 -17.866 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.096 -20.449 -18.783 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.926 -20.031 -20.144 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.875 -20.300 -17.256 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.064 -21.520 -18.499 1.00 0.00 H new ATOM 893 N LYS A 60 2.294 -16.882 -19.605 1.00 0.00 N ATOM 894 CA LYS A 60 3.035 -15.984 -20.510 1.00 0.00 C ATOM 895 C LYS A 60 3.419 -16.685 -21.827 1.00 0.00 C ATOM 896 O LYS A 60 3.188 -16.151 -22.915 1.00 0.00 O ATOM 897 CB LYS A 60 4.313 -15.464 -19.805 1.00 0.00 C ATOM 898 CG LYS A 60 4.062 -14.544 -18.594 1.00 0.00 C ATOM 899 CD LYS A 60 5.371 -14.108 -17.888 1.00 0.00 C ATOM 900 CE LYS A 60 5.145 -12.976 -16.882 1.00 0.00 C ATOM 901 NZ LYS A 60 4.719 -11.721 -17.557 1.00 0.00 N ATOM 0 H LYS A 60 2.769 -17.041 -18.716 1.00 0.00 H new ATOM 0 HA LYS A 60 2.379 -15.148 -20.755 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.902 -16.320 -19.476 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.917 -14.923 -20.534 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.520 -13.658 -18.923 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.423 -15.060 -17.878 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.806 -14.965 -17.374 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.094 -13.785 -18.637 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.386 -13.277 -16.159 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.064 -12.796 -16.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.149 -10.905 -17.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.027 -11.739 -18.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.683 -11.640 -17.517 1.00 0.00 H new ATOM 915 N GLY A 61 3.991 -17.891 -21.696 1.00 0.00 N ATOM 916 CA GLY A 61 4.534 -18.642 -22.838 1.00 0.00 C ATOM 917 C GLY A 61 6.059 -18.515 -22.939 1.00 0.00 C ATOM 918 O GLY A 61 6.709 -19.426 -23.484 1.00 0.00 O ATOM 919 OXT GLY A 61 6.615 -17.497 -22.471 1.00 0.00 O ATOM 0 H GLY A 61 4.090 -18.371 -20.801 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.264 -19.694 -22.741 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.079 -18.279 -23.759 1.00 0.00 H new TER 923 GLY A 61 HETATM 924 ZN ZN A 101 -2.825 -12.621 -5.550 1.00 0.00 ZN HETATM 925 ZN ZN A 102 -12.519 -6.874 -14.600 1.00 0.00 ZN