USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=14 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 3 MET CE :methyl -160:sc= 0 (180deg=0) USER MOD Set 1.2: A 5 THR OG1 : rot 180:sc= -0.417 USER MOD Single : A 1 SER N :NH3+ 131:sc= 0.0578 (180deg=0) USER MOD Single : A 1 SER OG : rot -120:sc= 0.134 USER MOD Single : A 2 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=0) 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=-0.02) USER MOD Single : A 20 SER OG : rot -35:sc= 0.447 USER MOD Single : A 24 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.12) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 0.891 (180deg=0.843) USER MOD Single : A 30 SER OG : rot -117:sc= 1.43 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-2.4) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.246 K(o=-0.25,f=-1.7) USER MOD Single : A 40 MET CE :methyl 164:sc= -0.0971 (180deg=-0.45) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 111:sc= 0.929 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 136:sc= 0.635 USER MOD Single : A 60 LYS NZ :NH3+ 161:sc= -1.16 (180deg=-1.77!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.767 6.134 -3.856 1.00 0.00 N ATOM 2 CA SER A 1 14.620 5.409 -3.259 1.00 0.00 C ATOM 3 C SER A 1 15.106 4.138 -2.554 1.00 0.00 C ATOM 4 O SER A 1 16.162 3.590 -2.888 1.00 0.00 O ATOM 5 CB SER A 1 13.579 5.058 -4.344 1.00 0.00 C ATOM 6 OG SER A 1 12.468 4.337 -3.813 1.00 0.00 O ATOM 0 H1 SER A 1 15.549 6.375 -4.844 1.00 0.00 H new ATOM 0 H2 SER A 1 15.945 7.006 -3.318 1.00 0.00 H new ATOM 0 H3 SER A 1 16.613 5.530 -3.826 1.00 0.00 H new ATOM 0 HA SER A 1 14.145 6.057 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.224 5.975 -4.814 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.056 4.464 -5.124 1.00 0.00 H new ATOM 0 HG SER A 1 12.402 3.465 -4.256 1.00 0.00 H new ATOM 14 N HIS A 2 14.312 3.687 -1.575 1.00 0.00 N ATOM 15 CA HIS A 2 14.575 2.468 -0.787 1.00 0.00 C ATOM 16 C HIS A 2 13.660 1.321 -1.257 1.00 0.00 C ATOM 17 O HIS A 2 13.846 0.165 -0.867 1.00 0.00 O ATOM 18 CB HIS A 2 14.344 2.777 0.719 1.00 0.00 C ATOM 19 CG HIS A 2 15.096 3.999 1.212 1.00 0.00 C ATOM 20 ND1 HIS A 2 16.321 3.899 1.831 1.00 0.00 N ATOM 21 CD2 HIS A 2 14.767 5.316 1.120 1.00 0.00 C ATOM 22 CE1 HIS A 2 16.704 5.140 2.091 1.00 0.00 C ATOM 23 NE2 HIS A 2 15.794 6.024 1.677 1.00 0.00 N ATOM 0 H HIS A 2 13.453 4.164 -1.301 1.00 0.00 H new ATOM 0 HA HIS A 2 15.608 2.153 -0.932 1.00 0.00 H new ATOM 0 HB2 HIS A 2 13.278 2.923 0.892 1.00 0.00 H new ATOM 0 HB3 HIS A 2 14.647 1.912 1.309 1.00 0.00 H new ATOM 0 HD2 HIS A 2 13.865 5.724 0.688 1.00 0.00 H new ATOM 0 HE1 HIS A 2 17.633 5.403 2.575 1.00 0.00 H new ATOM 0 HE2 HIS A 2 15.854 7.039 1.761 1.00 0.00 H new ATOM 31 N MET A 3 12.670 1.671 -2.102 1.00 0.00 N ATOM 32 CA MET A 3 11.674 0.730 -2.645 1.00 0.00 C ATOM 33 C MET A 3 12.025 0.424 -4.130 1.00 0.00 C ATOM 34 O MET A 3 11.811 1.281 -4.996 1.00 0.00 O ATOM 35 CB MET A 3 10.254 1.366 -2.522 1.00 0.00 C ATOM 36 CG MET A 3 9.093 0.449 -2.931 1.00 0.00 C ATOM 37 SD MET A 3 7.511 1.323 -3.008 1.00 0.00 S ATOM 38 CE MET A 3 6.379 0.024 -3.511 1.00 0.00 C ATOM 0 H MET A 3 12.539 2.628 -2.430 1.00 0.00 H new ATOM 0 HA MET A 3 11.683 -0.206 -2.086 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.102 1.681 -1.490 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.221 2.265 -3.137 1.00 0.00 H new ATOM 0 HG2 MET A 3 9.308 0.008 -3.904 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.016 -0.373 -2.219 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.478 0.470 -3.933 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.858 -0.606 -4.261 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.112 -0.582 -2.645 1.00 0.00 H new ATOM 48 N PRO A 4 12.591 -0.791 -4.451 1.00 0.00 N ATOM 49 CA PRO A 4 13.039 -1.147 -5.826 1.00 0.00 C ATOM 50 C PRO A 4 11.892 -1.712 -6.708 1.00 0.00 C ATOM 51 O PRO A 4 11.976 -2.836 -7.233 1.00 0.00 O ATOM 52 CB PRO A 4 14.141 -2.192 -5.528 1.00 0.00 C ATOM 53 CG PRO A 4 13.633 -2.930 -4.324 1.00 0.00 C ATOM 54 CD PRO A 4 12.850 -1.911 -3.499 1.00 0.00 C ATOM 0 HA PRO A 4 13.388 -0.295 -6.410 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.291 -2.864 -6.373 1.00 0.00 H new ATOM 0 HB3 PRO A 4 15.099 -1.714 -5.327 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.996 -3.764 -4.619 1.00 0.00 H new ATOM 0 HG3 PRO A 4 14.458 -3.347 -3.746 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.920 -2.335 -3.121 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.422 -1.575 -2.634 1.00 0.00 H new ATOM 62 N THR A 5 10.848 -0.889 -6.891 1.00 0.00 N ATOM 63 CA THR A 5 9.611 -1.267 -7.604 1.00 0.00 C ATOM 64 C THR A 5 9.881 -1.560 -9.100 1.00 0.00 C ATOM 65 O THR A 5 10.281 -0.662 -9.848 1.00 0.00 O ATOM 66 CB THR A 5 8.542 -0.136 -7.459 1.00 0.00 C ATOM 67 OG1 THR A 5 8.459 0.252 -6.084 1.00 0.00 O ATOM 68 CG2 THR A 5 7.150 -0.584 -7.940 1.00 0.00 C ATOM 0 H THR A 5 10.836 0.070 -6.545 1.00 0.00 H new ATOM 0 HA THR A 5 9.231 -2.183 -7.151 1.00 0.00 H new ATOM 0 HB THR A 5 8.855 0.700 -8.084 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.791 0.963 -5.984 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.442 0.236 -7.819 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.202 -0.867 -8.991 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.819 -1.439 -7.350 1.00 0.00 H new ATOM 76 N SER A 6 9.685 -2.827 -9.503 1.00 0.00 N ATOM 77 CA SER A 6 9.918 -3.281 -10.883 1.00 0.00 C ATOM 78 C SER A 6 9.002 -4.483 -11.193 1.00 0.00 C ATOM 79 O SER A 6 9.337 -5.637 -10.883 1.00 0.00 O ATOM 80 CB SER A 6 11.419 -3.637 -11.078 1.00 0.00 C ATOM 81 OG SER A 6 11.714 -4.004 -12.421 1.00 0.00 O ATOM 0 H SER A 6 9.360 -3.566 -8.879 1.00 0.00 H new ATOM 0 HA SER A 6 9.674 -2.481 -11.582 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.033 -2.783 -10.793 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.686 -4.458 -10.412 1.00 0.00 H new ATOM 0 HG SER A 6 12.667 -4.218 -12.500 1.00 0.00 H new ATOM 87 N GLU A 7 7.813 -4.191 -11.755 1.00 0.00 N ATOM 88 CA GLU A 7 6.856 -5.227 -12.185 1.00 0.00 C ATOM 89 C GLU A 7 7.338 -5.878 -13.494 1.00 0.00 C ATOM 90 O GLU A 7 7.759 -5.189 -14.428 1.00 0.00 O ATOM 91 CB GLU A 7 5.418 -4.648 -12.387 1.00 0.00 C ATOM 92 CG GLU A 7 4.637 -4.296 -11.104 1.00 0.00 C ATOM 93 CD GLU A 7 5.277 -3.177 -10.274 1.00 0.00 C ATOM 94 OE1 GLU A 7 5.188 -2.004 -10.685 1.00 0.00 O ATOM 95 OE2 GLU A 7 5.877 -3.464 -9.223 1.00 0.00 O ATOM 0 H GLU A 7 7.491 -3.238 -11.922 1.00 0.00 H new ATOM 0 HA GLU A 7 6.807 -5.975 -11.394 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.494 -3.749 -12.999 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.834 -5.372 -12.955 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.624 -3.999 -11.377 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.551 -5.190 -10.486 1.00 0.00 H new ATOM 102 N GLU A 8 7.286 -7.211 -13.535 1.00 0.00 N ATOM 103 CA GLU A 8 7.468 -8.007 -14.771 1.00 0.00 C ATOM 104 C GLU A 8 6.127 -8.690 -15.110 1.00 0.00 C ATOM 105 O GLU A 8 6.089 -9.810 -15.640 1.00 0.00 O ATOM 106 CB GLU A 8 8.670 -8.997 -14.603 1.00 0.00 C ATOM 107 CG GLU A 8 8.715 -9.824 -13.292 1.00 0.00 C ATOM 108 CD GLU A 8 7.727 -11.007 -13.253 1.00 0.00 C ATOM 109 OE1 GLU A 8 8.045 -12.078 -13.817 1.00 0.00 O ATOM 110 OE2 GLU A 8 6.627 -10.872 -12.667 1.00 0.00 O ATOM 0 H GLU A 8 7.115 -7.783 -12.708 1.00 0.00 H new ATOM 0 HA GLU A 8 7.732 -7.375 -15.619 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.658 -9.692 -15.443 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.595 -8.425 -14.676 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.726 -10.206 -13.152 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.505 -9.162 -12.452 1.00 0.00 H new ATOM 117 N ASP A 9 5.045 -7.906 -14.860 1.00 0.00 N ATOM 118 CA ASP A 9 3.634 -8.340 -14.833 1.00 0.00 C ATOM 119 C ASP A 9 3.360 -9.120 -13.533 1.00 0.00 C ATOM 120 O ASP A 9 3.335 -10.358 -13.504 1.00 0.00 O ATOM 121 CB ASP A 9 3.182 -9.122 -16.105 1.00 0.00 C ATOM 122 CG ASP A 9 3.306 -8.291 -17.394 1.00 0.00 C ATOM 123 OD1 ASP A 9 2.363 -7.537 -17.724 1.00 0.00 O ATOM 124 OD2 ASP A 9 4.345 -8.379 -18.080 1.00 0.00 O ATOM 0 H ASP A 9 5.144 -6.910 -14.664 1.00 0.00 H new ATOM 0 HA ASP A 9 3.019 -7.440 -14.846 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.783 -10.026 -16.202 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.147 -9.439 -15.981 1.00 0.00 H new ATOM 129 N LEU A 10 3.212 -8.351 -12.437 1.00 0.00 N ATOM 130 CA LEU A 10 2.917 -8.882 -11.088 1.00 0.00 C ATOM 131 C LEU A 10 1.404 -8.887 -10.828 1.00 0.00 C ATOM 132 O LEU A 10 0.657 -8.140 -11.472 1.00 0.00 O ATOM 133 CB LEU A 10 3.654 -8.033 -10.010 1.00 0.00 C ATOM 134 CG LEU A 10 5.214 -8.143 -10.011 1.00 0.00 C ATOM 135 CD1 LEU A 10 5.860 -7.182 -8.980 1.00 0.00 C ATOM 136 CD2 LEU A 10 5.669 -9.600 -9.759 1.00 0.00 C ATOM 0 H LEU A 10 3.294 -7.335 -12.461 1.00 0.00 H new ATOM 0 HA LEU A 10 3.274 -9.910 -11.031 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.382 -6.987 -10.149 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.288 -8.330 -9.027 1.00 0.00 H new ATOM 0 HG LEU A 10 5.557 -7.842 -11.001 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.944 -7.289 -9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.590 -6.154 -9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.501 -7.426 -7.980 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.758 -9.647 -9.765 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.296 -9.935 -8.791 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.274 -10.245 -10.543 1.00 0.00 H new ATOM 148 N CYS A 11 0.962 -9.740 -9.876 1.00 0.00 N ATOM 149 CA CYS A 11 -0.446 -9.798 -9.438 1.00 0.00 C ATOM 150 C CYS A 11 -0.802 -8.471 -8.716 1.00 0.00 C ATOM 151 O CYS A 11 -0.210 -8.193 -7.673 1.00 0.00 O ATOM 152 CB CYS A 11 -0.671 -11.012 -8.486 1.00 0.00 C ATOM 153 SG CYS A 11 -2.407 -11.277 -7.955 1.00 0.00 S ATOM 0 H CYS A 11 1.569 -10.403 -9.394 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.093 -9.927 -10.306 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.319 -11.915 -8.985 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.053 -10.877 -7.598 1.00 0.00 H new ATOM 158 N PRO A 12 -1.765 -7.637 -9.252 1.00 0.00 N ATOM 159 CA PRO A 12 -2.094 -6.280 -8.688 1.00 0.00 C ATOM 160 C PRO A 12 -2.548 -6.303 -7.203 1.00 0.00 C ATOM 161 O PRO A 12 -2.569 -5.266 -6.535 1.00 0.00 O ATOM 162 CB PRO A 12 -3.232 -5.767 -9.624 1.00 0.00 C ATOM 163 CG PRO A 12 -3.777 -7.002 -10.280 1.00 0.00 C ATOM 164 CD PRO A 12 -2.601 -7.931 -10.450 1.00 0.00 C ATOM 0 HA PRO A 12 -1.214 -5.637 -8.668 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.005 -5.246 -9.058 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.849 -5.063 -10.363 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.552 -7.461 -9.666 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.231 -6.766 -11.242 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.912 -8.975 -10.478 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.062 -7.734 -11.377 1.00 0.00 H new ATOM 172 N ILE A 13 -2.936 -7.493 -6.721 1.00 0.00 N ATOM 173 CA ILE A 13 -3.328 -7.723 -5.321 1.00 0.00 C ATOM 174 C ILE A 13 -2.094 -8.077 -4.456 1.00 0.00 C ATOM 175 O ILE A 13 -1.902 -7.524 -3.370 1.00 0.00 O ATOM 176 CB ILE A 13 -4.383 -8.891 -5.256 1.00 0.00 C ATOM 177 CG1 ILE A 13 -5.624 -8.550 -6.150 1.00 0.00 C ATOM 178 CG2 ILE A 13 -4.809 -9.199 -3.792 1.00 0.00 C ATOM 179 CD1 ILE A 13 -6.617 -9.681 -6.351 1.00 0.00 C ATOM 0 H ILE A 13 -2.987 -8.333 -7.298 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.771 -6.808 -4.926 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.913 -9.794 -5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.149 -7.704 -5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.267 -8.225 -7.127 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.537 -10.010 -3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.934 -9.494 -3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.255 -8.309 -3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.436 -9.338 -6.984 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.117 -10.523 -6.829 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.012 -9.994 -5.385 1.00 0.00 H new ATOM 191 N CYS A 14 -1.252 -8.985 -4.976 1.00 0.00 N ATOM 192 CA CYS A 14 -0.179 -9.630 -4.195 1.00 0.00 C ATOM 193 C CYS A 14 1.137 -8.844 -4.280 1.00 0.00 C ATOM 194 O CYS A 14 1.704 -8.479 -3.248 1.00 0.00 O ATOM 195 CB CYS A 14 0.025 -11.079 -4.688 1.00 0.00 C ATOM 196 SG CYS A 14 -1.365 -12.207 -4.338 1.00 0.00 S ATOM 0 H CYS A 14 -1.294 -9.293 -5.947 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.483 -9.642 -3.148 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.198 -11.061 -5.764 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.927 -11.482 -4.227 1.00 0.00 H new ATOM 201 N TYR A 15 1.604 -8.613 -5.533 1.00 0.00 N ATOM 202 CA TYR A 15 2.910 -7.980 -5.887 1.00 0.00 C ATOM 203 C TYR A 15 4.098 -8.946 -5.664 1.00 0.00 C ATOM 204 O TYR A 15 4.983 -9.039 -6.506 1.00 0.00 O ATOM 205 CB TYR A 15 3.160 -6.623 -5.164 1.00 0.00 C ATOM 206 CG TYR A 15 2.085 -5.546 -5.421 1.00 0.00 C ATOM 207 CD1 TYR A 15 2.041 -4.840 -6.625 1.00 0.00 C ATOM 208 CD2 TYR A 15 1.114 -5.248 -4.459 1.00 0.00 C ATOM 209 CE1 TYR A 15 1.082 -3.869 -6.847 1.00 0.00 C ATOM 210 CE2 TYR A 15 0.161 -4.277 -4.676 1.00 0.00 C ATOM 211 CZ TYR A 15 0.142 -3.596 -5.873 1.00 0.00 C ATOM 212 OH TYR A 15 -0.807 -2.619 -6.085 1.00 0.00 O ATOM 0 H TYR A 15 1.064 -8.871 -6.359 1.00 0.00 H new ATOM 0 HA TYR A 15 2.842 -7.757 -6.952 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.223 -6.805 -4.091 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.128 -6.233 -5.478 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.767 -5.056 -7.395 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.111 -5.791 -3.526 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.068 -3.325 -7.780 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.567 -4.051 -3.911 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.392 -2.555 -5.301 1.00 0.00 H new ATOM 222 N ALA A 16 4.092 -9.675 -4.526 1.00 0.00 N ATOM 223 CA ALA A 16 5.163 -10.625 -4.145 1.00 0.00 C ATOM 224 C ALA A 16 5.303 -11.785 -5.150 1.00 0.00 C ATOM 225 O ALA A 16 6.397 -12.324 -5.333 1.00 0.00 O ATOM 226 CB ALA A 16 4.913 -11.161 -2.723 1.00 0.00 C ATOM 0 H ALA A 16 3.339 -9.621 -3.841 1.00 0.00 H new ATOM 0 HA ALA A 16 6.106 -10.079 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.706 -11.858 -2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.904 -10.330 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.952 -11.674 -2.691 1.00 0.00 H new ATOM 232 N HIS A 17 4.180 -12.166 -5.785 1.00 0.00 N ATOM 233 CA HIS A 17 4.133 -13.215 -6.827 1.00 0.00 C ATOM 234 C HIS A 17 3.499 -12.635 -8.118 1.00 0.00 C ATOM 235 O HIS A 17 2.676 -11.705 -8.040 1.00 0.00 O ATOM 236 CB HIS A 17 3.346 -14.461 -6.315 1.00 0.00 C ATOM 237 CG HIS A 17 4.096 -15.340 -5.340 1.00 0.00 C ATOM 238 ND1 HIS A 17 4.451 -16.644 -5.619 1.00 0.00 N ATOM 239 CD2 HIS A 17 4.553 -15.099 -4.090 1.00 0.00 C ATOM 240 CE1 HIS A 17 5.087 -17.155 -4.589 1.00 0.00 C ATOM 241 NE2 HIS A 17 5.168 -16.238 -3.647 1.00 0.00 N ATOM 0 H HIS A 17 3.269 -11.752 -5.589 1.00 0.00 H new ATOM 0 HA HIS A 17 5.147 -13.542 -7.057 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.427 -14.120 -5.839 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.055 -15.065 -7.174 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.451 -14.175 -3.541 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.478 -18.160 -4.525 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.615 -16.357 -2.738 1.00 0.00 H new ATOM 250 N PRO A 18 3.883 -13.174 -9.330 1.00 0.00 N ATOM 251 CA PRO A 18 3.404 -12.674 -10.653 1.00 0.00 C ATOM 252 C PRO A 18 1.917 -13.001 -10.953 1.00 0.00 C ATOM 253 O PRO A 18 1.132 -13.317 -10.049 1.00 0.00 O ATOM 254 CB PRO A 18 4.361 -13.374 -11.677 1.00 0.00 C ATOM 255 CG PRO A 18 5.464 -13.963 -10.851 1.00 0.00 C ATOM 256 CD PRO A 18 4.839 -14.299 -9.524 1.00 0.00 C ATOM 0 HA PRO A 18 3.433 -11.585 -10.696 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.837 -14.146 -12.241 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.751 -12.660 -12.402 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.878 -14.853 -11.326 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.284 -13.255 -10.730 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.333 -15.264 -9.546 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.580 -14.346 -8.726 1.00 0.00 H new ATOM 264 N ILE A 19 1.536 -12.864 -12.236 1.00 0.00 N ATOM 265 CA ILE A 19 0.190 -13.216 -12.727 1.00 0.00 C ATOM 266 C ILE A 19 0.137 -14.716 -13.101 1.00 0.00 C ATOM 267 O ILE A 19 1.006 -15.207 -13.831 1.00 0.00 O ATOM 268 CB ILE A 19 -0.197 -12.337 -13.974 1.00 0.00 C ATOM 269 CG1 ILE A 19 -0.166 -10.815 -13.603 1.00 0.00 C ATOM 270 CG2 ILE A 19 -1.586 -12.738 -14.546 1.00 0.00 C ATOM 271 CD1 ILE A 19 -0.341 -9.863 -14.771 1.00 0.00 C ATOM 0 H ILE A 19 2.154 -12.505 -12.964 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.528 -13.020 -11.931 1.00 0.00 H new ATOM 0 HB ILE A 19 0.543 -12.520 -14.753 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.952 -10.619 -12.874 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.784 -10.595 -13.115 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.820 -12.110 -15.406 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.564 -13.783 -14.855 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.348 -12.602 -13.779 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.305 -8.835 -14.411 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.459 -10.023 -15.494 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.303 -10.046 -15.249 1.00 0.00 H new ATOM 283 N SER A 20 -0.888 -15.426 -12.588 1.00 0.00 N ATOM 284 CA SER A 20 -1.113 -16.860 -12.859 1.00 0.00 C ATOM 285 C SER A 20 -2.593 -17.125 -13.239 1.00 0.00 C ATOM 286 O SER A 20 -2.987 -18.285 -13.417 1.00 0.00 O ATOM 287 CB SER A 20 -0.696 -17.690 -11.612 1.00 0.00 C ATOM 288 OG SER A 20 -0.761 -19.091 -11.846 1.00 0.00 O ATOM 0 H SER A 20 -1.588 -15.017 -11.969 1.00 0.00 H new ATOM 0 HA SER A 20 -0.501 -17.165 -13.708 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.319 -17.420 -11.322 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.345 -17.434 -10.775 1.00 0.00 H new ATOM 0 HG SER A 20 -1.516 -19.289 -12.439 1.00 0.00 H new ATOM 294 N ALA A 21 -3.399 -16.049 -13.399 1.00 0.00 N ATOM 295 CA ALA A 21 -4.840 -16.167 -13.725 1.00 0.00 C ATOM 296 C ALA A 21 -5.359 -14.908 -14.438 1.00 0.00 C ATOM 297 O ALA A 21 -4.752 -13.834 -14.369 1.00 0.00 O ATOM 298 CB ALA A 21 -5.669 -16.455 -12.455 1.00 0.00 C ATOM 0 H ALA A 21 -3.074 -15.086 -13.307 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.955 -17.008 -14.409 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.723 -16.537 -12.720 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.334 -17.390 -12.006 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.536 -15.642 -11.742 1.00 0.00 H new ATOM 304 N VAL A 22 -6.502 -15.073 -15.112 1.00 0.00 N ATOM 305 CA VAL A 22 -7.211 -14.011 -15.832 1.00 0.00 C ATOM 306 C VAL A 22 -8.730 -14.266 -15.723 1.00 0.00 C ATOM 307 O VAL A 22 -9.186 -15.421 -15.795 1.00 0.00 O ATOM 308 CB VAL A 22 -6.766 -13.918 -17.350 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.895 -15.282 -18.074 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.555 -12.816 -18.112 1.00 0.00 C ATOM 0 H VAL A 22 -6.973 -15.976 -15.173 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.958 -13.054 -15.376 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.712 -13.640 -17.351 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.580 -15.174 -19.112 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.263 -16.019 -17.578 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.933 -15.614 -18.042 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.222 -12.782 -19.149 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.621 -13.043 -18.080 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.376 -11.849 -17.642 1.00 0.00 H new ATOM 320 N PHE A 23 -9.500 -13.185 -15.529 1.00 0.00 N ATOM 321 CA PHE A 23 -10.971 -13.239 -15.442 1.00 0.00 C ATOM 322 C PHE A 23 -11.532 -12.894 -16.822 1.00 0.00 C ATOM 323 O PHE A 23 -11.764 -11.717 -17.135 1.00 0.00 O ATOM 324 CB PHE A 23 -11.517 -12.256 -14.358 1.00 0.00 C ATOM 325 CG PHE A 23 -10.722 -12.239 -13.053 1.00 0.00 C ATOM 326 CD1 PHE A 23 -10.410 -13.422 -12.389 1.00 0.00 C ATOM 327 CD2 PHE A 23 -10.295 -11.036 -12.491 1.00 0.00 C ATOM 328 CE1 PHE A 23 -9.685 -13.398 -11.221 1.00 0.00 C ATOM 329 CE2 PHE A 23 -9.574 -11.013 -11.325 1.00 0.00 C ATOM 330 CZ PHE A 23 -9.275 -12.194 -10.687 1.00 0.00 C ATOM 0 H PHE A 23 -9.120 -12.244 -15.427 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.286 -14.238 -15.142 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.529 -11.248 -14.774 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.551 -12.521 -14.135 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.740 -14.367 -12.795 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.537 -10.106 -12.983 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.436 -14.323 -10.721 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.243 -10.073 -10.910 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.716 -12.179 -9.763 1.00 0.00 H new ATOM 340 N GLN A 24 -11.685 -13.920 -17.665 1.00 0.00 N ATOM 341 CA GLN A 24 -12.138 -13.754 -19.052 1.00 0.00 C ATOM 342 C GLN A 24 -13.676 -13.713 -19.139 1.00 0.00 C ATOM 343 O GLN A 24 -14.368 -14.315 -18.301 1.00 0.00 O ATOM 344 CB GLN A 24 -11.504 -14.842 -19.979 1.00 0.00 C ATOM 345 CG GLN A 24 -10.129 -14.412 -20.537 1.00 0.00 C ATOM 346 CD GLN A 24 -9.433 -15.434 -21.446 1.00 0.00 C ATOM 347 OE1 GLN A 24 -8.206 -15.525 -21.474 1.00 0.00 O ATOM 348 NE2 GLN A 24 -10.196 -16.154 -22.242 1.00 0.00 N ATOM 0 H GLN A 24 -11.499 -14.889 -17.406 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.787 -12.788 -19.416 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -11.392 -15.771 -19.420 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -12.181 -15.048 -20.808 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.257 -13.484 -21.095 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.470 -14.191 -19.698 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.211 -16.059 -22.199 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.772 -16.806 -22.902 1.00 0.00 H new ATOM 357 N PRO A 25 -14.243 -12.960 -20.151 1.00 0.00 N ATOM 358 CA PRO A 25 -13.485 -12.211 -21.208 1.00 0.00 C ATOM 359 C PRO A 25 -13.174 -10.733 -20.860 1.00 0.00 C ATOM 360 O PRO A 25 -12.922 -9.922 -21.763 1.00 0.00 O ATOM 361 CB PRO A 25 -14.463 -12.316 -22.387 1.00 0.00 C ATOM 362 CG PRO A 25 -15.807 -12.170 -21.743 1.00 0.00 C ATOM 363 CD PRO A 25 -15.702 -12.801 -20.362 1.00 0.00 C ATOM 0 HA PRO A 25 -12.489 -12.620 -21.378 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.285 -11.535 -23.126 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -14.367 -13.271 -22.904 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.088 -11.120 -21.668 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.576 -12.664 -22.337 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.149 -12.165 -19.598 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.218 -13.760 -20.321 1.00 0.00 H new ATOM 371 N CYS A 26 -13.172 -10.400 -19.548 1.00 0.00 N ATOM 372 CA CYS A 26 -12.888 -9.031 -19.071 1.00 0.00 C ATOM 373 C CYS A 26 -11.416 -8.648 -19.297 1.00 0.00 C ATOM 374 O CYS A 26 -11.129 -7.578 -19.844 1.00 0.00 O ATOM 375 CB CYS A 26 -13.238 -8.861 -17.582 1.00 0.00 C ATOM 376 SG CYS A 26 -12.731 -7.240 -16.924 1.00 0.00 S ATOM 0 H CYS A 26 -13.365 -11.066 -18.800 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.520 -8.364 -19.656 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -14.313 -8.983 -17.449 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.754 -9.650 -17.006 1.00 0.00 H new ATOM 381 N GLY A 27 -10.491 -9.522 -18.867 1.00 0.00 N ATOM 382 CA GLY A 27 -9.055 -9.301 -19.061 1.00 0.00 C ATOM 383 C GLY A 27 -8.300 -8.888 -17.802 1.00 0.00 C ATOM 384 O GLY A 27 -7.071 -8.754 -17.857 1.00 0.00 O ATOM 0 H GLY A 27 -10.717 -10.390 -18.381 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.610 -10.216 -19.452 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.919 -8.530 -19.820 1.00 0.00 H new ATOM 388 N HIS A 28 -9.027 -8.645 -16.683 1.00 0.00 N ATOM 389 CA HIS A 28 -8.398 -8.366 -15.373 1.00 0.00 C ATOM 390 C HIS A 28 -7.585 -9.586 -14.909 1.00 0.00 C ATOM 391 O HIS A 28 -8.094 -10.706 -14.874 1.00 0.00 O ATOM 392 CB HIS A 28 -9.440 -7.957 -14.283 1.00 0.00 C ATOM 393 CG HIS A 28 -9.695 -6.476 -14.187 1.00 0.00 C ATOM 394 ND1 HIS A 28 -10.966 -5.972 -14.097 1.00 0.00 N ATOM 395 CD2 HIS A 28 -8.808 -5.451 -14.136 1.00 0.00 C ATOM 396 CE1 HIS A 28 -10.822 -4.667 -13.989 1.00 0.00 C ATOM 397 NE2 HIS A 28 -9.537 -4.308 -14.008 1.00 0.00 N ATOM 0 H HIS A 28 -10.047 -8.637 -16.664 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.732 -7.514 -15.508 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.383 -8.462 -14.492 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.094 -8.317 -13.314 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.732 -5.527 -14.187 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.644 -3.972 -13.896 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.171 -3.359 -13.940 1.00 0.00 H new ATOM 405 N LYS A 29 -6.330 -9.332 -14.560 1.00 0.00 N ATOM 406 CA LYS A 29 -5.350 -10.359 -14.210 1.00 0.00 C ATOM 407 C LYS A 29 -5.183 -10.461 -12.683 1.00 0.00 C ATOM 408 O LYS A 29 -5.463 -9.504 -11.947 1.00 0.00 O ATOM 409 CB LYS A 29 -4.001 -9.997 -14.875 1.00 0.00 C ATOM 410 CG LYS A 29 -4.053 -9.818 -16.410 1.00 0.00 C ATOM 411 CD LYS A 29 -4.180 -11.136 -17.198 1.00 0.00 C ATOM 412 CE LYS A 29 -4.225 -10.885 -18.720 1.00 0.00 C ATOM 413 NZ LYS A 29 -4.285 -12.142 -19.512 1.00 0.00 N ATOM 0 H LYS A 29 -5.954 -8.385 -14.511 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.696 -11.328 -14.569 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.630 -9.074 -14.430 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.277 -10.777 -14.640 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.897 -9.176 -16.661 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.151 -9.300 -16.734 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.337 -11.785 -16.960 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.084 -11.660 -16.888 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.094 -10.271 -18.956 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.343 -10.317 -19.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.416 -11.913 -20.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.398 -12.672 -19.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.083 -12.722 -19.183 1.00 0.00 H new ATOM 427 N SER A 30 -4.715 -11.635 -12.232 1.00 0.00 N ATOM 428 CA SER A 30 -4.384 -11.914 -10.823 1.00 0.00 C ATOM 429 C SER A 30 -3.622 -13.251 -10.762 1.00 0.00 C ATOM 430 O SER A 30 -3.016 -13.659 -11.746 1.00 0.00 O ATOM 431 CB SER A 30 -5.674 -11.973 -9.962 1.00 0.00 C ATOM 432 OG SER A 30 -6.442 -13.126 -10.266 1.00 0.00 O ATOM 0 H SER A 30 -4.552 -12.433 -12.846 1.00 0.00 H new ATOM 0 HA SER A 30 -3.760 -11.116 -10.421 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.409 -11.978 -8.905 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.272 -11.078 -10.136 1.00 0.00 H new ATOM 0 HG SER A 30 -7.312 -12.854 -10.626 1.00 0.00 H new ATOM 438 N CYS A 31 -3.631 -13.917 -9.601 1.00 0.00 N ATOM 439 CA CYS A 31 -3.129 -15.289 -9.462 1.00 0.00 C ATOM 440 C CYS A 31 -4.297 -16.198 -9.060 1.00 0.00 C ATOM 441 O CYS A 31 -5.325 -15.695 -8.564 1.00 0.00 O ATOM 442 CB CYS A 31 -2.019 -15.347 -8.409 1.00 0.00 C ATOM 443 SG CYS A 31 -2.567 -14.970 -6.717 1.00 0.00 S ATOM 0 H CYS A 31 -3.987 -13.520 -8.731 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.709 -15.626 -10.410 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.576 -16.343 -8.421 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.233 -14.645 -8.688 1.00 0.00 H new ATOM 448 N LYS A 32 -4.132 -17.524 -9.263 1.00 0.00 N ATOM 449 CA LYS A 32 -5.167 -18.535 -8.944 1.00 0.00 C ATOM 450 C LYS A 32 -5.578 -18.461 -7.455 1.00 0.00 C ATOM 451 O LYS A 32 -6.758 -18.540 -7.141 1.00 0.00 O ATOM 452 CB LYS A 32 -4.653 -19.964 -9.302 1.00 0.00 C ATOM 453 CG LYS A 32 -4.331 -20.168 -10.808 1.00 0.00 C ATOM 454 CD LYS A 32 -3.741 -21.570 -11.140 1.00 0.00 C ATOM 455 CE LYS A 32 -4.677 -22.732 -10.755 1.00 0.00 C ATOM 456 NZ LYS A 32 -4.120 -24.058 -11.133 1.00 0.00 N ATOM 0 H LYS A 32 -3.278 -17.924 -9.652 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.051 -18.320 -9.545 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.756 -20.171 -8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.404 -20.694 -9.001 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.242 -20.021 -11.388 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.624 -19.402 -11.126 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.527 -21.623 -12.208 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.791 -21.690 -10.619 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.856 -22.709 -9.680 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.642 -22.594 -11.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.786 -24.807 -10.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.973 -24.092 -12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.212 -24.204 -10.648 1.00 0.00 H new ATOM 470 N ALA A 33 -4.585 -18.254 -6.564 1.00 0.00 N ATOM 471 CA ALA A 33 -4.798 -18.138 -5.093 1.00 0.00 C ATOM 472 C ALA A 33 -5.853 -17.062 -4.713 1.00 0.00 C ATOM 473 O ALA A 33 -6.700 -17.299 -3.836 1.00 0.00 O ATOM 474 CB ALA A 33 -3.458 -17.844 -4.391 1.00 0.00 C ATOM 0 H ALA A 33 -3.607 -18.161 -6.839 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.194 -19.095 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.621 -17.760 -3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.757 -18.655 -4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.047 -16.908 -4.769 1.00 0.00 H new ATOM 480 N CYS A 34 -5.789 -15.895 -5.401 1.00 0.00 N ATOM 481 CA CYS A 34 -6.715 -14.753 -5.175 1.00 0.00 C ATOM 482 C CYS A 34 -8.178 -15.158 -5.442 1.00 0.00 C ATOM 483 O CYS A 34 -9.037 -15.067 -4.552 1.00 0.00 O ATOM 484 CB CYS A 34 -6.317 -13.521 -6.058 1.00 0.00 C ATOM 485 SG CYS A 34 -5.015 -12.450 -5.347 1.00 0.00 S ATOM 0 H CYS A 34 -5.096 -15.717 -6.128 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.629 -14.465 -4.127 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.979 -13.883 -7.029 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.207 -12.917 -6.235 1.00 0.00 H new ATOM 490 N ILE A 35 -8.437 -15.656 -6.666 1.00 0.00 N ATOM 491 CA ILE A 35 -9.807 -15.927 -7.141 1.00 0.00 C ATOM 492 C ILE A 35 -10.410 -17.172 -6.452 1.00 0.00 C ATOM 493 O ILE A 35 -11.594 -17.178 -6.151 1.00 0.00 O ATOM 494 CB ILE A 35 -9.858 -16.053 -8.713 1.00 0.00 C ATOM 495 CG1 ILE A 35 -11.322 -16.262 -9.244 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.919 -17.167 -9.223 1.00 0.00 C ATOM 497 CD1 ILE A 35 -12.288 -15.118 -8.954 1.00 0.00 C ATOM 0 H ILE A 35 -7.711 -15.880 -7.347 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.424 -15.072 -6.863 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.502 -15.104 -9.115 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.281 -16.417 -10.322 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.724 -17.175 -8.805 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.980 -17.225 -10.310 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.894 -16.942 -8.929 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.219 -18.122 -8.791 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.270 -15.359 -9.361 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.367 -14.973 -7.877 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.918 -14.203 -9.417 1.00 0.00 H new ATOM 509 N ASN A 36 -9.581 -18.191 -6.168 1.00 0.00 N ATOM 510 CA ASN A 36 -10.019 -19.424 -5.470 1.00 0.00 C ATOM 511 C ASN A 36 -10.554 -19.108 -4.058 1.00 0.00 C ATOM 512 O ASN A 36 -11.643 -19.561 -3.675 1.00 0.00 O ATOM 513 CB ASN A 36 -8.852 -20.443 -5.395 1.00 0.00 C ATOM 514 CG ASN A 36 -8.499 -21.085 -6.742 1.00 0.00 C ATOM 515 OD1 ASN A 36 -8.706 -20.508 -7.812 1.00 0.00 O ATOM 516 ND2 ASN A 36 -7.955 -22.283 -6.693 1.00 0.00 N ATOM 0 H ASN A 36 -8.591 -18.189 -6.413 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.834 -19.865 -6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.969 -19.940 -5.001 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -9.114 -21.229 -4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.692 -22.759 -7.556 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.796 -22.735 -5.792 1.00 0.00 H new ATOM 523 N GLN A 37 -9.787 -18.296 -3.313 1.00 0.00 N ATOM 524 CA GLN A 37 -10.174 -17.834 -1.962 1.00 0.00 C ATOM 525 C GLN A 37 -11.467 -16.975 -2.026 1.00 0.00 C ATOM 526 O GLN A 37 -12.319 -17.033 -1.127 1.00 0.00 O ATOM 527 CB GLN A 37 -8.998 -17.026 -1.345 1.00 0.00 C ATOM 528 CG GLN A 37 -9.253 -16.480 0.072 1.00 0.00 C ATOM 529 CD GLN A 37 -8.051 -15.721 0.646 1.00 0.00 C ATOM 530 OE1 GLN A 37 -7.909 -14.513 0.441 1.00 0.00 O ATOM 531 NE2 GLN A 37 -7.193 -16.414 1.383 1.00 0.00 N ATOM 0 H GLN A 37 -8.884 -17.940 -3.625 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.385 -18.696 -1.330 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.114 -17.663 -1.318 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.768 -16.189 -2.004 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.118 -15.817 0.050 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.503 -17.308 0.735 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.340 -17.412 1.533 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.387 -15.949 1.800 1.00 0.00 H new ATOM 540 N HIS A 38 -11.596 -16.218 -3.132 1.00 0.00 N ATOM 541 CA HIS A 38 -12.722 -15.303 -3.384 1.00 0.00 C ATOM 542 C HIS A 38 -14.023 -16.053 -3.744 1.00 0.00 C ATOM 543 O HIS A 38 -15.100 -15.643 -3.313 1.00 0.00 O ATOM 544 CB HIS A 38 -12.329 -14.336 -4.517 1.00 0.00 C ATOM 545 CG HIS A 38 -13.355 -13.288 -4.860 1.00 0.00 C ATOM 546 ND1 HIS A 38 -13.569 -12.212 -4.035 1.00 0.00 N ATOM 547 CD2 HIS A 38 -14.172 -13.185 -5.940 1.00 0.00 C ATOM 548 CE1 HIS A 38 -14.494 -11.490 -4.621 1.00 0.00 C ATOM 549 NE2 HIS A 38 -14.891 -12.036 -5.775 1.00 0.00 N ATOM 0 H HIS A 38 -10.909 -16.226 -3.886 1.00 0.00 H new ATOM 0 HA HIS A 38 -12.926 -14.751 -2.466 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.402 -13.835 -4.238 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.118 -14.920 -5.413 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.240 -13.876 -6.767 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.887 -10.567 -4.220 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -15.597 -11.665 -6.411 1.00 0.00 H new ATOM 557 N LEU A 39 -13.904 -17.164 -4.516 1.00 0.00 N ATOM 558 CA LEU A 39 -15.071 -17.933 -5.038 1.00 0.00 C ATOM 559 C LEU A 39 -15.902 -18.579 -3.916 1.00 0.00 C ATOM 560 O LEU A 39 -17.053 -18.969 -4.144 1.00 0.00 O ATOM 561 CB LEU A 39 -14.618 -19.008 -6.070 1.00 0.00 C ATOM 562 CG LEU A 39 -14.133 -18.466 -7.459 1.00 0.00 C ATOM 563 CD1 LEU A 39 -13.593 -19.605 -8.354 1.00 0.00 C ATOM 564 CD2 LEU A 39 -15.250 -17.674 -8.183 1.00 0.00 C ATOM 0 H LEU A 39 -13.003 -17.553 -4.795 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.716 -17.213 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.810 -19.590 -5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.449 -19.693 -6.240 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.311 -17.777 -7.265 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.266 -19.193 -9.309 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.751 -20.088 -7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.382 -20.338 -8.526 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.878 -17.314 -9.142 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.109 -18.325 -8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.551 -16.825 -7.569 1.00 0.00 H new ATOM 576 N MET A 40 -15.305 -18.688 -2.719 1.00 0.00 N ATOM 577 CA MET A 40 -15.999 -19.169 -1.508 1.00 0.00 C ATOM 578 C MET A 40 -17.092 -18.171 -1.062 1.00 0.00 C ATOM 579 O MET A 40 -18.093 -18.568 -0.463 1.00 0.00 O ATOM 580 CB MET A 40 -14.974 -19.409 -0.365 1.00 0.00 C ATOM 581 CG MET A 40 -13.918 -20.487 -0.663 1.00 0.00 C ATOM 582 SD MET A 40 -12.719 -20.693 0.679 1.00 0.00 S ATOM 583 CE MET A 40 -13.771 -21.191 2.046 1.00 0.00 C ATOM 0 H MET A 40 -14.327 -18.446 -2.560 1.00 0.00 H new ATOM 0 HA MET A 40 -16.488 -20.114 -1.744 1.00 0.00 H new ATOM 0 HB2 MET A 40 -14.464 -18.470 -0.150 1.00 0.00 H new ATOM 0 HB3 MET A 40 -15.516 -19.691 0.537 1.00 0.00 H new ATOM 0 HG2 MET A 40 -14.419 -21.438 -0.845 1.00 0.00 H new ATOM 0 HG3 MET A 40 -13.388 -20.226 -1.579 1.00 0.00 H new ATOM 0 HE1 MET A 40 -13.158 -21.620 2.839 1.00 0.00 H new ATOM 0 HE2 MET A 40 -14.305 -20.322 2.430 1.00 0.00 H new ATOM 0 HE3 MET A 40 -14.490 -21.934 1.700 1.00 0.00 H new ATOM 593 N ASN A 41 -16.879 -16.881 -1.361 1.00 0.00 N ATOM 594 CA ASN A 41 -17.832 -15.795 -1.052 1.00 0.00 C ATOM 595 C ASN A 41 -18.556 -15.336 -2.338 1.00 0.00 C ATOM 596 O ASN A 41 -19.736 -15.643 -2.540 1.00 0.00 O ATOM 597 CB ASN A 41 -17.080 -14.610 -0.380 1.00 0.00 C ATOM 598 CG ASN A 41 -17.957 -13.378 -0.096 1.00 0.00 C ATOM 599 OD1 ASN A 41 -19.157 -13.487 0.157 1.00 0.00 O ATOM 600 ND2 ASN A 41 -17.363 -12.194 -0.148 1.00 0.00 N ATOM 0 H ASN A 41 -16.033 -16.555 -1.829 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.585 -16.164 -0.356 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -16.647 -14.956 0.558 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -16.252 -14.311 -1.022 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -17.902 -11.345 0.024 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -16.367 -12.132 -0.360 1.00 0.00 H new ATOM 607 N ASN A 42 -17.833 -14.617 -3.217 1.00 0.00 N ATOM 608 CA ASN A 42 -18.410 -13.991 -4.432 1.00 0.00 C ATOM 609 C ASN A 42 -17.806 -14.606 -5.700 1.00 0.00 C ATOM 610 O ASN A 42 -16.771 -15.271 -5.657 1.00 0.00 O ATOM 611 CB ASN A 42 -18.155 -12.458 -4.439 1.00 0.00 C ATOM 612 CG ASN A 42 -18.762 -11.694 -3.265 1.00 0.00 C ATOM 613 OD1 ASN A 42 -19.780 -12.088 -2.702 1.00 0.00 O ATOM 614 ND2 ASN A 42 -18.148 -10.574 -2.909 1.00 0.00 N ATOM 0 H ASN A 42 -16.832 -14.451 -3.109 1.00 0.00 H new ATOM 0 HA ASN A 42 -19.484 -14.176 -4.418 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -17.079 -12.285 -4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -18.552 -12.044 -5.366 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -18.520 -10.009 -2.145 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -17.304 -10.277 -3.399 1.00 0.00 H new ATOM 621 N LYS A 43 -18.471 -14.355 -6.839 1.00 0.00 N ATOM 622 CA LYS A 43 -18.021 -14.796 -8.173 1.00 0.00 C ATOM 623 C LYS A 43 -17.920 -13.570 -9.096 1.00 0.00 C ATOM 624 O LYS A 43 -18.372 -13.593 -10.251 1.00 0.00 O ATOM 625 CB LYS A 43 -18.998 -15.873 -8.738 1.00 0.00 C ATOM 626 CG LYS A 43 -19.109 -17.153 -7.873 1.00 0.00 C ATOM 627 CD LYS A 43 -20.054 -18.214 -8.482 1.00 0.00 C ATOM 628 CE LYS A 43 -20.191 -19.468 -7.596 1.00 0.00 C ATOM 629 NZ LYS A 43 -21.098 -20.487 -8.197 1.00 0.00 N ATOM 0 H LYS A 43 -19.347 -13.834 -6.862 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.036 -15.258 -8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -19.989 -15.430 -8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.671 -16.153 -9.739 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -18.117 -17.587 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.467 -16.883 -6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -21.039 -17.773 -8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -19.681 -18.507 -9.463 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -19.207 -19.909 -7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -20.571 -19.179 -6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -21.159 -21.312 -7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.045 -20.077 -8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -20.723 -20.784 -9.120 1.00 0.00 H new ATOM 643 N ASP A 44 -17.309 -12.489 -8.568 1.00 0.00 N ATOM 644 CA ASP A 44 -17.079 -11.245 -9.332 1.00 0.00 C ATOM 645 C ASP A 44 -15.580 -11.075 -9.648 1.00 0.00 C ATOM 646 O ASP A 44 -14.723 -11.765 -9.085 1.00 0.00 O ATOM 647 CB ASP A 44 -17.642 -10.001 -8.579 1.00 0.00 C ATOM 648 CG ASP A 44 -16.812 -9.548 -7.356 1.00 0.00 C ATOM 649 OD1 ASP A 44 -17.039 -10.062 -6.249 1.00 0.00 O ATOM 650 OD2 ASP A 44 -15.929 -8.675 -7.504 1.00 0.00 O ATOM 0 H ASP A 44 -16.964 -12.453 -7.609 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.620 -11.324 -10.275 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -17.710 -9.170 -9.281 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -18.657 -10.223 -8.249 1.00 0.00 H new ATOM 655 N CYS A 45 -15.287 -10.113 -10.534 1.00 0.00 N ATOM 656 CA CYS A 45 -13.945 -9.890 -11.124 1.00 0.00 C ATOM 657 C CYS A 45 -13.128 -8.840 -10.325 1.00 0.00 C ATOM 658 O CYS A 45 -12.307 -8.114 -10.909 1.00 0.00 O ATOM 659 CB CYS A 45 -14.151 -9.468 -12.603 1.00 0.00 C ATOM 660 SG CYS A 45 -12.648 -9.074 -13.546 1.00 0.00 S ATOM 0 H CYS A 45 -15.985 -9.451 -10.872 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.358 -10.807 -11.078 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -14.677 -10.272 -13.118 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -14.805 -8.596 -12.622 1.00 0.00 H new ATOM 665 N PHE A 46 -13.354 -8.799 -8.985 1.00 0.00 N ATOM 666 CA PHE A 46 -12.630 -7.943 -8.012 1.00 0.00 C ATOM 667 C PHE A 46 -12.772 -6.434 -8.337 1.00 0.00 C ATOM 668 O PHE A 46 -13.680 -5.758 -7.846 1.00 0.00 O ATOM 669 CB PHE A 46 -11.119 -8.338 -7.898 1.00 0.00 C ATOM 670 CG PHE A 46 -10.825 -9.703 -7.280 1.00 0.00 C ATOM 671 CD1 PHE A 46 -11.020 -10.878 -8.000 1.00 0.00 C ATOM 672 CD2 PHE A 46 -10.310 -9.808 -5.988 1.00 0.00 C ATOM 673 CE1 PHE A 46 -10.714 -12.106 -7.450 1.00 0.00 C ATOM 674 CE2 PHE A 46 -9.998 -11.033 -5.444 1.00 0.00 C ATOM 675 CZ PHE A 46 -10.196 -12.179 -6.177 1.00 0.00 C ATOM 0 H PHE A 46 -14.066 -9.378 -8.541 1.00 0.00 H new ATOM 0 HA PHE A 46 -13.101 -8.119 -7.045 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.682 -8.312 -8.896 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.609 -7.577 -7.307 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.416 -10.828 -9.003 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -10.153 -8.913 -5.405 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -10.881 -13.009 -8.018 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.598 -11.094 -4.443 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.944 -13.140 -5.753 1.00 0.00 H new ATOM 685 N PHE A 47 -11.899 -5.967 -9.240 1.00 0.00 N ATOM 686 CA PHE A 47 -11.614 -4.542 -9.477 1.00 0.00 C ATOM 687 C PHE A 47 -12.793 -3.822 -10.158 1.00 0.00 C ATOM 688 O PHE A 47 -13.029 -2.637 -9.917 1.00 0.00 O ATOM 689 CB PHE A 47 -10.323 -4.416 -10.343 1.00 0.00 C ATOM 690 CG PHE A 47 -9.192 -5.352 -9.890 1.00 0.00 C ATOM 691 CD1 PHE A 47 -8.374 -5.026 -8.809 1.00 0.00 C ATOM 692 CD2 PHE A 47 -8.964 -6.571 -10.546 1.00 0.00 C ATOM 693 CE1 PHE A 47 -7.376 -5.888 -8.392 1.00 0.00 C ATOM 694 CE2 PHE A 47 -7.965 -7.427 -10.128 1.00 0.00 C ATOM 695 CZ PHE A 47 -7.168 -7.082 -9.058 1.00 0.00 C ATOM 0 H PHE A 47 -11.356 -6.585 -9.843 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.463 -4.058 -8.512 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.569 -4.632 -11.383 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.969 -3.386 -10.307 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.521 -4.090 -8.291 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.579 -6.844 -11.391 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.758 -5.628 -7.545 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.808 -8.366 -10.639 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.379 -7.746 -8.739 1.00 0.00 H new ATOM 705 N CYS A 48 -13.526 -4.553 -11.016 1.00 0.00 N ATOM 706 CA CYS A 48 -14.669 -3.993 -11.782 1.00 0.00 C ATOM 707 C CYS A 48 -15.986 -4.731 -11.440 1.00 0.00 C ATOM 708 O CYS A 48 -17.057 -4.345 -11.921 1.00 0.00 O ATOM 709 CB CYS A 48 -14.395 -4.116 -13.288 1.00 0.00 C ATOM 710 SG CYS A 48 -14.582 -5.814 -13.897 1.00 0.00 S ATOM 0 H CYS A 48 -13.351 -5.540 -11.202 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.778 -2.944 -11.508 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.077 -3.462 -13.832 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -13.384 -3.768 -13.499 1.00 0.00 H new ATOM 715 N LYS A 49 -15.871 -5.816 -10.631 1.00 0.00 N ATOM 716 CA LYS A 49 -17.010 -6.646 -10.157 1.00 0.00 C ATOM 717 C LYS A 49 -17.839 -7.323 -11.286 1.00 0.00 C ATOM 718 O LYS A 49 -18.971 -7.760 -11.029 1.00 0.00 O ATOM 719 CB LYS A 49 -17.942 -5.824 -9.217 1.00 0.00 C ATOM 720 CG LYS A 49 -17.289 -5.347 -7.901 1.00 0.00 C ATOM 721 CD LYS A 49 -18.266 -4.550 -7.001 1.00 0.00 C ATOM 722 CE LYS A 49 -19.522 -5.354 -6.611 1.00 0.00 C ATOM 723 NZ LYS A 49 -20.433 -4.574 -5.730 1.00 0.00 N ATOM 0 H LYS A 49 -14.970 -6.144 -10.284 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.551 -7.464 -9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.304 -4.952 -9.762 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.813 -6.432 -8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.918 -6.212 -7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.426 -4.723 -8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.745 -4.240 -6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.570 -3.642 -7.521 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -20.057 -5.651 -7.513 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.222 -6.270 -6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.264 -5.152 -5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.932 -4.312 -4.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.740 -3.712 -6.224 1.00 0.00 H new ATOM 737 N THR A 50 -17.276 -7.439 -12.509 1.00 0.00 N ATOM 738 CA THR A 50 -17.925 -8.178 -13.615 1.00 0.00 C ATOM 739 C THR A 50 -18.073 -9.669 -13.237 1.00 0.00 C ATOM 740 O THR A 50 -17.145 -10.244 -12.666 1.00 0.00 O ATOM 741 CB THR A 50 -17.100 -8.042 -14.943 1.00 0.00 C ATOM 742 OG1 THR A 50 -16.901 -6.653 -15.242 1.00 0.00 O ATOM 743 CG2 THR A 50 -17.787 -8.724 -16.149 1.00 0.00 C ATOM 0 H THR A 50 -16.374 -7.031 -12.755 1.00 0.00 H new ATOM 0 HA THR A 50 -18.912 -7.747 -13.781 1.00 0.00 H new ATOM 0 HB THR A 50 -16.148 -8.547 -14.780 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.955 -6.426 -15.127 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.170 -8.597 -17.039 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.912 -9.787 -15.943 1.00 0.00 H new ATOM 0 HG23 THR A 50 -18.763 -8.269 -16.316 1.00 0.00 H new ATOM 751 N THR A 51 -19.240 -10.265 -13.536 1.00 0.00 N ATOM 752 CA THR A 51 -19.507 -11.691 -13.281 1.00 0.00 C ATOM 753 C THR A 51 -18.475 -12.568 -14.014 1.00 0.00 C ATOM 754 O THR A 51 -18.216 -12.360 -15.215 1.00 0.00 O ATOM 755 CB THR A 51 -20.950 -12.093 -13.738 1.00 0.00 C ATOM 756 OG1 THR A 51 -21.909 -11.196 -13.149 1.00 0.00 O ATOM 757 CG2 THR A 51 -21.313 -13.551 -13.362 1.00 0.00 C ATOM 0 H THR A 51 -20.025 -9.772 -13.961 1.00 0.00 H new ATOM 0 HA THR A 51 -19.427 -11.853 -12.206 1.00 0.00 H new ATOM 0 HB THR A 51 -20.974 -12.022 -14.825 1.00 0.00 H new ATOM 0 HG1 THR A 51 -22.812 -11.447 -13.437 1.00 0.00 H new ATOM 0 HG21 THR A 51 -22.324 -13.774 -13.703 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.610 -14.235 -13.838 1.00 0.00 H new ATOM 0 HG23 THR A 51 -21.261 -13.671 -12.280 1.00 0.00 H new ATOM 765 N ILE A 52 -17.866 -13.506 -13.272 1.00 0.00 N ATOM 766 CA ILE A 52 -16.875 -14.436 -13.818 1.00 0.00 C ATOM 767 C ILE A 52 -17.555 -15.390 -14.827 1.00 0.00 C ATOM 768 O ILE A 52 -18.272 -16.314 -14.432 1.00 0.00 O ATOM 769 CB ILE A 52 -16.162 -15.275 -12.684 1.00 0.00 C ATOM 770 CG1 ILE A 52 -15.445 -14.353 -11.638 1.00 0.00 C ATOM 771 CG2 ILE A 52 -15.163 -16.287 -13.291 1.00 0.00 C ATOM 772 CD1 ILE A 52 -14.285 -13.535 -12.185 1.00 0.00 C ATOM 0 H ILE A 52 -18.049 -13.638 -12.277 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.109 -13.846 -14.322 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.939 -15.828 -12.156 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -16.182 -13.671 -11.213 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.078 -14.974 -10.821 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.686 -16.852 -12.490 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -15.695 -16.972 -13.951 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.403 -15.751 -13.860 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -13.856 -12.931 -11.385 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -13.523 -14.205 -12.582 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -14.644 -12.882 -12.980 1.00 0.00 H new ATOM 784 N VAL A 53 -17.365 -15.111 -16.123 1.00 0.00 N ATOM 785 CA VAL A 53 -17.796 -16.007 -17.208 1.00 0.00 C ATOM 786 C VAL A 53 -16.865 -17.231 -17.257 1.00 0.00 C ATOM 787 O VAL A 53 -17.323 -18.363 -17.484 1.00 0.00 O ATOM 788 CB VAL A 53 -17.823 -15.252 -18.588 1.00 0.00 C ATOM 789 CG1 VAL A 53 -18.182 -16.188 -19.764 1.00 0.00 C ATOM 790 CG2 VAL A 53 -18.798 -14.048 -18.525 1.00 0.00 C ATOM 0 H VAL A 53 -16.909 -14.259 -16.450 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.813 -16.346 -17.010 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.815 -14.883 -18.775 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -18.187 -15.619 -20.694 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -17.443 -16.987 -19.832 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -19.169 -16.620 -19.597 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -18.806 -13.536 -19.487 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -19.802 -14.405 -18.296 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.472 -13.356 -17.748 1.00 0.00 H new ATOM 800 N SER A 54 -15.562 -16.988 -17.009 1.00 0.00 N ATOM 801 CA SER A 54 -14.554 -18.049 -16.899 1.00 0.00 C ATOM 802 C SER A 54 -13.312 -17.570 -16.111 1.00 0.00 C ATOM 803 O SER A 54 -12.800 -16.464 -16.340 1.00 0.00 O ATOM 804 CB SER A 54 -14.147 -18.515 -18.322 1.00 0.00 C ATOM 805 OG SER A 54 -13.775 -17.413 -19.136 1.00 0.00 O ATOM 0 H SER A 54 -15.184 -16.049 -16.880 1.00 0.00 H new ATOM 0 HA SER A 54 -14.986 -18.885 -16.348 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.316 -19.217 -18.254 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.978 -19.048 -18.784 1.00 0.00 H new ATOM 0 HG SER A 54 -12.962 -17.636 -19.637 1.00 0.00 H new ATOM 811 N VAL A 55 -12.859 -18.412 -15.154 1.00 0.00 N ATOM 812 CA VAL A 55 -11.526 -18.306 -14.546 1.00 0.00 C ATOM 813 C VAL A 55 -10.584 -19.162 -15.387 1.00 0.00 C ATOM 814 O VAL A 55 -10.766 -20.387 -15.477 1.00 0.00 O ATOM 815 CB VAL A 55 -11.445 -18.828 -13.055 1.00 0.00 C ATOM 816 CG1 VAL A 55 -10.024 -18.617 -12.470 1.00 0.00 C ATOM 817 CG2 VAL A 55 -12.509 -18.183 -12.147 1.00 0.00 C ATOM 0 H VAL A 55 -13.414 -19.184 -14.785 1.00 0.00 H new ATOM 0 HA VAL A 55 -11.264 -17.248 -14.521 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.655 -19.897 -13.084 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.995 -18.984 -11.444 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.298 -19.164 -13.072 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.779 -17.555 -12.482 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.410 -18.575 -11.135 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.368 -17.102 -12.133 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.503 -18.414 -12.530 1.00 0.00 H new ATOM 827 N GLU A 56 -9.594 -18.534 -16.005 1.00 0.00 N ATOM 828 CA GLU A 56 -8.592 -19.235 -16.807 1.00 0.00 C ATOM 829 C GLU A 56 -7.201 -18.934 -16.261 1.00 0.00 C ATOM 830 O GLU A 56 -6.901 -17.794 -15.906 1.00 0.00 O ATOM 831 CB GLU A 56 -8.742 -18.845 -18.301 1.00 0.00 C ATOM 832 CG GLU A 56 -10.016 -19.439 -18.958 1.00 0.00 C ATOM 833 CD GLU A 56 -10.306 -18.909 -20.368 1.00 0.00 C ATOM 834 OE1 GLU A 56 -9.479 -19.127 -21.279 1.00 0.00 O ATOM 835 OE2 GLU A 56 -11.373 -18.296 -20.580 1.00 0.00 O ATOM 0 H GLU A 56 -9.460 -17.524 -15.967 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.744 -20.312 -16.741 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.769 -17.759 -18.386 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.864 -19.186 -18.850 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.915 -20.523 -19.004 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.873 -19.226 -18.319 1.00 0.00 H new ATOM 842 N ASP A 57 -6.385 -19.988 -16.152 1.00 0.00 N ATOM 843 CA ASP A 57 -4.964 -19.885 -15.782 1.00 0.00 C ATOM 844 C ASP A 57 -4.206 -19.038 -16.817 1.00 0.00 C ATOM 845 O ASP A 57 -4.661 -18.874 -17.959 1.00 0.00 O ATOM 846 CB ASP A 57 -4.339 -21.302 -15.669 1.00 0.00 C ATOM 847 CG ASP A 57 -4.527 -22.149 -16.945 1.00 0.00 C ATOM 848 OD1 ASP A 57 -5.626 -22.718 -17.132 1.00 0.00 O ATOM 849 OD2 ASP A 57 -3.599 -22.244 -17.772 1.00 0.00 O ATOM 0 H ASP A 57 -6.692 -20.946 -16.319 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.885 -19.394 -14.812 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.274 -21.207 -15.456 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.787 -21.824 -14.824 1.00 0.00 H new ATOM 854 N TRP A 58 -3.050 -18.501 -16.420 1.00 0.00 N ATOM 855 CA TRP A 58 -2.258 -17.622 -17.287 1.00 0.00 C ATOM 856 C TRP A 58 -0.759 -17.820 -17.008 1.00 0.00 C ATOM 857 O TRP A 58 -0.349 -17.958 -15.851 1.00 0.00 O ATOM 858 CB TRP A 58 -2.689 -16.144 -17.078 1.00 0.00 C ATOM 859 CG TRP A 58 -2.213 -15.236 -18.175 1.00 0.00 C ATOM 860 CD1 TRP A 58 -2.825 -15.029 -19.379 1.00 0.00 C ATOM 861 CD2 TRP A 58 -1.018 -14.453 -18.192 1.00 0.00 C ATOM 862 NE1 TRP A 58 -2.092 -14.150 -20.128 1.00 0.00 N ATOM 863 CE2 TRP A 58 -0.976 -13.785 -19.424 1.00 0.00 C ATOM 864 CE3 TRP A 58 0.014 -14.249 -17.280 1.00 0.00 C ATOM 865 CZ2 TRP A 58 0.061 -12.931 -19.770 1.00 0.00 C ATOM 866 CZ3 TRP A 58 1.042 -13.403 -17.620 1.00 0.00 C ATOM 867 CH2 TRP A 58 1.064 -12.748 -18.855 1.00 0.00 C ATOM 0 H TRP A 58 -2.639 -18.660 -15.500 1.00 0.00 H new ATOM 0 HA TRP A 58 -2.439 -17.879 -18.331 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.776 -16.093 -17.017 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.299 -15.789 -16.124 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.750 -15.491 -19.693 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.337 -13.820 -21.061 1.00 0.00 H new ATOM 0 HE3 TRP A 58 0.007 -14.747 -16.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.077 -12.429 -20.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.848 -13.241 -16.920 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.885 -12.087 -19.091 1.00 0.00 H new ATOM 878 N GLU A 59 0.048 -17.803 -18.079 1.00 0.00 N ATOM 879 CA GLU A 59 1.479 -18.122 -18.029 1.00 0.00 C ATOM 880 C GLU A 59 2.302 -17.016 -18.714 1.00 0.00 C ATOM 881 O GLU A 59 1.833 -16.391 -19.671 1.00 0.00 O ATOM 882 CB GLU A 59 1.703 -19.505 -18.713 1.00 0.00 C ATOM 883 CG GLU A 59 3.153 -20.040 -18.700 1.00 0.00 C ATOM 884 CD GLU A 59 3.764 -20.122 -17.289 1.00 0.00 C ATOM 885 OE1 GLU A 59 3.381 -21.026 -16.513 1.00 0.00 O ATOM 886 OE2 GLU A 59 4.628 -19.277 -16.945 1.00 0.00 O ATOM 0 H GLU A 59 -0.281 -17.564 -19.015 1.00 0.00 H new ATOM 0 HA GLU A 59 1.814 -18.177 -16.993 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.062 -20.238 -18.224 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.372 -19.433 -19.749 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.170 -21.031 -19.153 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.776 -19.395 -19.320 1.00 0.00 H new ATOM 893 N LYS A 60 3.522 -16.777 -18.199 1.00 0.00 N ATOM 894 CA LYS A 60 4.503 -15.867 -18.813 1.00 0.00 C ATOM 895 C LYS A 60 5.098 -16.507 -20.083 1.00 0.00 C ATOM 896 O LYS A 60 5.281 -15.839 -21.100 1.00 0.00 O ATOM 897 CB LYS A 60 5.637 -15.548 -17.802 1.00 0.00 C ATOM 898 CG LYS A 60 5.182 -14.828 -16.518 1.00 0.00 C ATOM 899 CD LYS A 60 4.552 -13.455 -16.807 1.00 0.00 C ATOM 900 CE LYS A 60 4.111 -12.729 -15.534 1.00 0.00 C ATOM 901 NZ LYS A 60 5.254 -12.344 -14.679 1.00 0.00 N ATOM 0 H LYS A 60 3.856 -17.213 -17.340 1.00 0.00 H new ATOM 0 HA LYS A 60 3.999 -14.940 -19.087 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.127 -16.481 -17.523 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.385 -14.931 -18.301 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.460 -15.452 -15.991 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.037 -14.700 -15.854 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.271 -12.835 -17.343 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.691 -13.585 -17.463 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.547 -11.837 -15.805 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.437 -13.372 -14.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.957 -11.598 -14.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.580 -13.173 -14.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.030 -11.990 -15.275 1.00 0.00 H new ATOM 915 N GLY A 61 5.384 -17.820 -19.987 1.00 0.00 N ATOM 916 CA GLY A 61 5.957 -18.607 -21.086 1.00 0.00 C ATOM 917 C GLY A 61 7.335 -19.151 -20.705 1.00 0.00 C ATOM 918 O GLY A 61 7.406 -20.200 -20.023 1.00 0.00 O ATOM 919 OXT GLY A 61 8.355 -18.501 -21.027 1.00 0.00 O ATOM 0 H GLY A 61 5.222 -18.363 -19.139 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.291 -19.433 -21.333 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.040 -17.987 -21.978 1.00 0.00 H new TER 923 GLY A 61 HETATM 924 ZN ZN A 101 -2.815 -12.724 -6.111 1.00 0.00 ZN HETATM 925 ZN ZN A 102 -12.696 -6.995 -14.611 1.00 0.00 ZN