USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 469 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 43 HIS HD1 : A 43 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 27:sc= 0.158 USER MOD Single : A 6 SER OG : rot 180:sc= -0.1 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.6) USER MOD Single : A 17 THR OG1 : rot 33:sc= 0.0174 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.82! K(o=-1.8!,f=-0.84) USER MOD Single : A 23 GLN : amide:sc= -0.539 K(o=-0.54,f=-3.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -177:sc= -0.541 (180deg=-0.577) USER MOD Single : A 34 ASN : amide:sc= -1.28 K(o=-1.3,f=-7.1!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 39:sc= 0.699 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.431 2.842 4.571 1.00 0.00 N ATOM 2 CA GLY A 1 25.536 2.403 5.950 1.00 0.00 C ATOM 3 C GLY A 1 24.567 3.127 6.864 1.00 0.00 C ATOM 4 O GLY A 1 23.370 2.839 6.865 1.00 0.00 O ATOM 0 H1 GLY A 1 26.113 2.318 3.987 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.468 2.664 4.222 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.637 3.860 4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.348 1.331 6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.554 2.565 6.303 1.00 0.00 H new ATOM 8 N SER A 2 25.085 4.069 7.646 1.00 0.00 N ATOM 9 CA SER A 2 24.259 4.832 8.574 1.00 0.00 C ATOM 10 C SER A 2 24.181 6.297 8.152 1.00 0.00 C ATOM 11 O SER A 2 25.032 7.106 8.520 1.00 0.00 O ATOM 12 CB SER A 2 24.819 4.728 9.994 1.00 0.00 C ATOM 13 OG SER A 2 24.046 5.491 10.904 1.00 0.00 O ATOM 0 H SER A 2 26.073 4.322 7.655 1.00 0.00 H new ATOM 0 HA SER A 2 23.253 4.412 8.557 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.831 3.684 10.308 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.852 5.077 10.008 1.00 0.00 H new ATOM 0 HG SER A 2 24.423 5.407 11.805 1.00 0.00 H new ATOM 19 N SER A 3 23.152 6.629 7.379 1.00 0.00 N ATOM 20 CA SER A 3 22.963 7.995 6.903 1.00 0.00 C ATOM 21 C SER A 3 21.945 8.734 7.766 1.00 0.00 C ATOM 22 O SER A 3 20.981 8.144 8.252 1.00 0.00 O ATOM 23 CB SER A 3 22.504 7.990 5.444 1.00 0.00 C ATOM 24 OG SER A 3 23.464 7.364 4.610 1.00 0.00 O ATOM 0 H SER A 3 22.437 5.971 7.069 1.00 0.00 H new ATOM 0 HA SER A 3 23.919 8.514 6.974 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.550 7.469 5.361 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.338 9.014 5.108 1.00 0.00 H new ATOM 0 HG SER A 3 23.147 7.372 3.683 1.00 0.00 H new ATOM 30 N GLY A 4 22.168 10.032 7.952 1.00 0.00 N ATOM 31 CA GLY A 4 21.263 10.832 8.756 1.00 0.00 C ATOM 32 C GLY A 4 19.934 11.072 8.068 1.00 0.00 C ATOM 33 O GLY A 4 19.883 11.276 6.855 1.00 0.00 O ATOM 0 H GLY A 4 22.959 10.543 7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.090 10.332 9.709 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.731 11.791 8.979 1.00 0.00 H new ATOM 37 N SER A 5 18.855 11.046 8.843 1.00 0.00 N ATOM 38 CA SER A 5 17.518 11.257 8.300 1.00 0.00 C ATOM 39 C SER A 5 16.608 11.911 9.335 1.00 0.00 C ATOM 40 O SER A 5 16.433 11.395 10.438 1.00 0.00 O ATOM 41 CB SER A 5 16.915 9.928 7.841 1.00 0.00 C ATOM 42 OG SER A 5 17.293 9.630 6.508 1.00 0.00 O ATOM 0 H SER A 5 18.880 10.881 9.849 1.00 0.00 H new ATOM 0 HA SER A 5 17.602 11.925 7.443 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.244 9.127 8.503 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.828 9.974 7.913 1.00 0.00 H new ATOM 0 HG SER A 5 18.153 10.056 6.309 1.00 0.00 H new ATOM 48 N SER A 6 16.030 13.051 8.969 1.00 0.00 N ATOM 49 CA SER A 6 15.140 13.779 9.867 1.00 0.00 C ATOM 50 C SER A 6 14.260 14.752 9.088 1.00 0.00 C ATOM 51 O SER A 6 14.568 15.113 7.953 1.00 0.00 O ATOM 52 CB SER A 6 15.951 14.538 10.919 1.00 0.00 C ATOM 53 OG SER A 6 15.104 15.285 11.775 1.00 0.00 O ATOM 0 H SER A 6 16.162 13.490 8.058 1.00 0.00 H new ATOM 0 HA SER A 6 14.497 13.055 10.367 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.538 13.833 11.508 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.656 15.207 10.426 1.00 0.00 H new ATOM 0 HG SER A 6 15.646 15.759 12.439 1.00 0.00 H new ATOM 59 N GLY A 7 13.161 15.171 9.707 1.00 0.00 N ATOM 60 CA GLY A 7 12.251 16.098 9.058 1.00 0.00 C ATOM 61 C GLY A 7 10.827 15.581 9.019 1.00 0.00 C ATOM 62 O GLY A 7 10.396 15.006 8.019 1.00 0.00 O ATOM 0 H GLY A 7 12.884 14.885 10.646 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.273 17.052 9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.594 16.287 8.041 1.00 0.00 H new ATOM 66 N ASP A 8 10.095 15.785 10.109 1.00 0.00 N ATOM 67 CA ASP A 8 8.711 15.335 10.195 1.00 0.00 C ATOM 68 C ASP A 8 7.770 16.341 9.540 1.00 0.00 C ATOM 69 O ASP A 8 7.821 17.535 9.833 1.00 0.00 O ATOM 70 CB ASP A 8 8.312 15.121 11.656 1.00 0.00 C ATOM 71 CG ASP A 8 6.958 14.453 11.795 1.00 0.00 C ATOM 72 OD1 ASP A 8 6.744 13.407 11.149 1.00 0.00 O ATOM 73 OD2 ASP A 8 6.114 14.977 12.551 1.00 0.00 O ATOM 0 H ASP A 8 10.437 16.259 10.945 1.00 0.00 H new ATOM 0 HA ASP A 8 8.629 14.388 9.661 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.068 14.510 12.150 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.294 16.082 12.169 1.00 0.00 H new ATOM 78 N MET A 9 6.913 15.850 8.651 1.00 0.00 N ATOM 79 CA MET A 9 5.961 16.707 7.954 1.00 0.00 C ATOM 80 C MET A 9 4.530 16.228 8.182 1.00 0.00 C ATOM 81 O MET A 9 4.194 15.068 7.946 1.00 0.00 O ATOM 82 CB MET A 9 6.269 16.735 6.456 1.00 0.00 C ATOM 83 CG MET A 9 7.499 17.556 6.104 1.00 0.00 C ATOM 84 SD MET A 9 7.517 18.073 4.377 1.00 0.00 S ATOM 85 CE MET A 9 9.206 18.644 4.212 1.00 0.00 C ATOM 0 H MET A 9 6.858 14.864 8.396 1.00 0.00 H new ATOM 0 HA MET A 9 6.056 17.716 8.356 1.00 0.00 H new ATOM 0 HB2 MET A 9 6.411 15.713 6.103 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.408 17.139 5.924 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.538 18.438 6.744 1.00 0.00 H new ATOM 0 HG3 MET A 9 8.394 16.970 6.313 1.00 0.00 H new ATOM 0 HE1 MET A 9 9.373 18.997 3.194 1.00 0.00 H new ATOM 0 HE2 MET A 9 9.384 19.460 4.913 1.00 0.00 H new ATOM 0 HE3 MET A 9 9.890 17.824 4.428 1.00 0.00 H new ATOM 95 N PRO A 10 3.668 17.141 8.654 1.00 0.00 N ATOM 96 CA PRO A 10 2.260 16.834 8.924 1.00 0.00 C ATOM 97 C PRO A 10 1.463 16.597 7.646 1.00 0.00 C ATOM 98 O PRO A 10 1.999 16.689 6.541 1.00 0.00 O ATOM 99 CB PRO A 10 1.756 18.087 9.644 1.00 0.00 C ATOM 100 CG PRO A 10 2.656 19.179 9.179 1.00 0.00 C ATOM 101 CD PRO A 10 4.000 18.542 8.959 1.00 0.00 C ATOM 0 HA PRO A 10 2.146 15.918 9.503 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.716 18.297 9.393 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.804 17.968 10.726 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.282 19.628 8.259 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.718 19.976 9.920 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.539 19.015 8.138 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.632 18.622 9.843 1.00 0.00 H new ATOM 109 N VAL A 11 0.179 16.292 7.803 1.00 0.00 N ATOM 110 CA VAL A 11 -0.693 16.043 6.661 1.00 0.00 C ATOM 111 C VAL A 11 -1.548 17.265 6.346 1.00 0.00 C ATOM 112 O VAL A 11 -1.657 18.185 7.157 1.00 0.00 O ATOM 113 CB VAL A 11 -1.616 14.836 6.912 1.00 0.00 C ATOM 114 CG1 VAL A 11 -0.796 13.578 7.157 1.00 0.00 C ATOM 115 CG2 VAL A 11 -2.547 15.111 8.082 1.00 0.00 C ATOM 0 H VAL A 11 -0.281 16.211 8.710 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.046 15.826 5.811 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.225 14.676 6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.465 12.736 7.332 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.175 13.373 6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.159 13.723 8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.192 14.247 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.958 15.298 8.980 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.160 15.985 7.862 1.00 0.00 H new ATOM 125 N ASP A 12 -2.153 17.268 5.163 1.00 0.00 N ATOM 126 CA ASP A 12 -3.001 18.377 4.741 1.00 0.00 C ATOM 127 C ASP A 12 -3.824 17.995 3.514 1.00 0.00 C ATOM 128 O ASP A 12 -3.468 17.096 2.753 1.00 0.00 O ATOM 129 CB ASP A 12 -2.150 19.610 4.436 1.00 0.00 C ATOM 130 CG ASP A 12 -0.770 19.249 3.921 1.00 0.00 C ATOM 131 OD1 ASP A 12 -0.654 18.243 3.190 1.00 0.00 O ATOM 132 OD2 ASP A 12 0.193 19.972 4.249 1.00 0.00 O ATOM 0 H ASP A 12 -2.072 16.515 4.480 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.685 18.610 5.557 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.661 20.226 3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.051 20.212 5.339 1.00 0.00 H new ATOM 137 N PRO A 13 -4.952 18.694 3.317 1.00 0.00 N ATOM 138 CA PRO A 13 -5.849 18.446 2.184 1.00 0.00 C ATOM 139 C PRO A 13 -5.236 18.873 0.855 1.00 0.00 C ATOM 140 O PRO A 13 -5.685 18.451 -0.210 1.00 0.00 O ATOM 141 CB PRO A 13 -7.074 19.304 2.508 1.00 0.00 C ATOM 142 CG PRO A 13 -6.555 20.392 3.384 1.00 0.00 C ATOM 143 CD PRO A 13 -5.438 19.781 4.184 1.00 0.00 C ATOM 0 HA PRO A 13 -6.073 17.386 2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.526 19.707 1.602 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.843 18.721 3.015 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.196 21.233 2.791 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.339 20.775 4.037 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.653 20.506 4.397 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.791 19.402 5.143 1.00 0.00 H new ATOM 151 N ASN A 14 -4.207 19.711 0.925 1.00 0.00 N ATOM 152 CA ASN A 14 -3.532 20.195 -0.274 1.00 0.00 C ATOM 153 C ASN A 14 -3.292 19.056 -1.260 1.00 0.00 C ATOM 154 O ASN A 14 -3.758 19.099 -2.398 1.00 0.00 O ATOM 155 CB ASN A 14 -2.201 20.854 0.095 1.00 0.00 C ATOM 156 CG ASN A 14 -1.698 21.786 -0.990 1.00 0.00 C ATOM 157 OD1 ASN A 14 -2.341 21.957 -2.025 1.00 0.00 O ATOM 158 ND2 ASN A 14 -0.541 22.395 -0.756 1.00 0.00 N ATOM 0 H ASN A 14 -3.822 20.069 1.799 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.176 20.935 -0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.320 21.412 1.024 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.455 20.081 0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.152 23.034 -1.449 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.042 22.223 0.117 1.00 0.00 H new ATOM 165 N GLU A 15 -2.563 18.038 -0.814 1.00 0.00 N ATOM 166 CA GLU A 15 -2.262 16.887 -1.658 1.00 0.00 C ATOM 167 C GLU A 15 -3.148 15.699 -1.296 1.00 0.00 C ATOM 168 O GLU A 15 -3.488 15.478 -0.133 1.00 0.00 O ATOM 169 CB GLU A 15 -0.788 16.498 -1.521 1.00 0.00 C ATOM 170 CG GLU A 15 0.132 17.259 -2.460 1.00 0.00 C ATOM 171 CD GLU A 15 0.461 18.650 -1.955 1.00 0.00 C ATOM 172 OE1 GLU A 15 -0.481 19.395 -1.615 1.00 0.00 O ATOM 173 OE2 GLU A 15 1.660 18.994 -1.900 1.00 0.00 O ATOM 0 H GLU A 15 -2.170 17.987 0.126 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.463 17.166 -2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.469 16.672 -0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.684 15.430 -1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.056 16.696 -2.592 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.338 17.334 -3.441 1.00 0.00 H new ATOM 180 N PRO A 16 -3.534 14.917 -2.315 1.00 0.00 N ATOM 181 CA PRO A 16 -4.386 13.739 -2.129 1.00 0.00 C ATOM 182 C PRO A 16 -3.663 12.608 -1.406 1.00 0.00 C ATOM 183 O PRO A 16 -2.435 12.516 -1.446 1.00 0.00 O ATOM 184 CB PRO A 16 -4.732 13.323 -3.561 1.00 0.00 C ATOM 185 CG PRO A 16 -3.611 13.848 -4.390 1.00 0.00 C ATOM 186 CD PRO A 16 -3.167 15.122 -3.726 1.00 0.00 C ATOM 0 HA PRO A 16 -5.257 13.959 -1.512 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.816 12.240 -3.649 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.687 13.743 -3.875 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.793 13.129 -4.441 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.936 14.034 -5.414 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.095 15.284 -3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.669 15.992 -4.149 1.00 0.00 H new ATOM 194 N THR A 17 -4.431 11.747 -0.745 1.00 0.00 N ATOM 195 CA THR A 17 -3.863 10.623 -0.012 1.00 0.00 C ATOM 196 C THR A 17 -4.502 9.307 -0.443 1.00 0.00 C ATOM 197 O THR A 17 -5.726 9.186 -0.490 1.00 0.00 O ATOM 198 CB THR A 17 -4.043 10.794 1.508 1.00 0.00 C ATOM 199 OG1 THR A 17 -5.390 11.182 1.801 1.00 0.00 O ATOM 200 CG2 THR A 17 -3.080 11.838 2.053 1.00 0.00 C ATOM 0 H THR A 17 -5.448 11.807 -0.703 1.00 0.00 H new ATOM 0 HA THR A 17 -2.798 10.601 -0.244 1.00 0.00 H new ATOM 0 HB THR A 17 -3.828 9.839 1.987 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.997 10.773 1.149 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.226 11.941 3.128 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.055 11.526 1.854 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.269 12.796 1.568 1.00 0.00 H new ATOM 208 N TYR A 18 -3.665 8.324 -0.755 1.00 0.00 N ATOM 209 CA TYR A 18 -4.149 7.017 -1.184 1.00 0.00 C ATOM 210 C TYR A 18 -3.885 5.961 -0.115 1.00 0.00 C ATOM 211 O TYR A 18 -4.811 5.464 0.527 1.00 0.00 O ATOM 212 CB TYR A 18 -3.480 6.607 -2.497 1.00 0.00 C ATOM 213 CG TYR A 18 -3.592 7.651 -3.585 1.00 0.00 C ATOM 214 CD1 TYR A 18 -2.877 8.840 -3.511 1.00 0.00 C ATOM 215 CD2 TYR A 18 -4.415 7.450 -4.686 1.00 0.00 C ATOM 216 CE1 TYR A 18 -2.977 9.797 -4.502 1.00 0.00 C ATOM 217 CE2 TYR A 18 -4.521 8.400 -5.683 1.00 0.00 C ATOM 218 CZ TYR A 18 -3.800 9.572 -5.586 1.00 0.00 C ATOM 219 OH TYR A 18 -3.903 10.522 -6.576 1.00 0.00 O ATOM 0 H TYR A 18 -2.649 8.407 -0.719 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.225 7.090 -1.340 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.426 6.401 -2.309 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.928 5.678 -2.849 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.232 9.019 -2.664 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.982 6.534 -4.764 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.414 10.716 -4.429 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.164 8.226 -6.533 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.522 10.208 -7.268 1.00 0.00 H new ATOM 229 N CYS A 19 -2.613 5.623 0.072 1.00 0.00 N ATOM 230 CA CYS A 19 -2.224 4.626 1.063 1.00 0.00 C ATOM 231 C CYS A 19 -2.962 4.851 2.379 1.00 0.00 C ATOM 232 O CYS A 19 -3.555 5.908 2.599 1.00 0.00 O ATOM 233 CB CYS A 19 -0.713 4.674 1.298 1.00 0.00 C ATOM 234 SG CYS A 19 -0.069 3.283 2.282 1.00 0.00 S ATOM 0 H CYS A 19 -1.834 6.025 -0.450 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.494 3.642 0.679 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.206 4.688 0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.464 5.608 1.802 1.00 0.00 H new ATOM 239 N LEU A 20 -2.921 3.850 3.252 1.00 0.00 N ATOM 240 CA LEU A 20 -3.586 3.938 4.548 1.00 0.00 C ATOM 241 C LEU A 20 -2.912 4.979 5.436 1.00 0.00 C ATOM 242 O LEU A 20 -3.581 5.733 6.143 1.00 0.00 O ATOM 243 CB LEU A 20 -3.574 2.574 5.242 1.00 0.00 C ATOM 244 CG LEU A 20 -4.275 1.437 4.498 1.00 0.00 C ATOM 245 CD1 LEU A 20 -3.286 0.679 3.627 1.00 0.00 C ATOM 246 CD2 LEU A 20 -4.954 0.495 5.482 1.00 0.00 C ATOM 0 H LEU A 20 -2.435 2.969 3.086 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.618 4.245 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.537 2.285 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.040 2.683 6.221 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.040 1.868 3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.803 -0.126 3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.847 1.360 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.498 0.259 4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.448 -0.308 4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.208 0.071 6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.693 1.047 6.063 1.00 0.00 H new ATOM 258 N CYS A 21 -1.584 5.016 5.393 1.00 0.00 N ATOM 259 CA CYS A 21 -0.819 5.965 6.192 1.00 0.00 C ATOM 260 C CYS A 21 -1.317 7.390 5.968 1.00 0.00 C ATOM 261 O CYS A 21 -0.999 8.298 6.737 1.00 0.00 O ATOM 262 CB CYS A 21 0.668 5.872 5.847 1.00 0.00 C ATOM 263 SG CYS A 21 1.028 6.015 4.067 1.00 0.00 S ATOM 0 H CYS A 21 -1.016 4.399 4.813 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.957 5.712 7.243 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.204 6.658 6.379 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.056 4.920 6.210 1.00 0.00 H new ATOM 268 N HIS A 22 -2.099 7.578 4.910 1.00 0.00 N ATOM 269 CA HIS A 22 -2.642 8.892 4.585 1.00 0.00 C ATOM 270 C HIS A 22 -1.526 9.863 4.209 1.00 0.00 C ATOM 271 O HIS A 22 -1.428 10.955 4.768 1.00 0.00 O ATOM 272 CB HIS A 22 -3.438 9.445 5.767 1.00 0.00 C ATOM 273 CG HIS A 22 -4.577 8.567 6.185 1.00 0.00 C ATOM 274 ND1 HIS A 22 -5.692 8.355 5.402 1.00 0.00 N ATOM 275 CD2 HIS A 22 -4.768 7.843 7.313 1.00 0.00 C ATOM 276 CE1 HIS A 22 -6.520 7.540 6.030 1.00 0.00 C ATOM 277 NE2 HIS A 22 -5.983 7.214 7.192 1.00 0.00 N ATOM 0 H HIS A 22 -2.371 6.837 4.263 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.307 8.781 3.729 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.766 9.583 6.614 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.826 10.429 5.505 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.091 7.773 8.152 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.474 7.198 5.657 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.402 6.596 7.886 1.00 0.00 H new ATOM 286 N GLN A 23 -0.689 9.456 3.260 1.00 0.00 N ATOM 287 CA GLN A 23 0.420 10.290 2.812 1.00 0.00 C ATOM 288 C GLN A 23 0.298 10.604 1.325 1.00 0.00 C ATOM 289 O GLN A 23 -0.462 9.958 0.603 1.00 0.00 O ATOM 290 CB GLN A 23 1.754 9.595 3.091 1.00 0.00 C ATOM 291 CG GLN A 23 2.025 9.371 4.570 1.00 0.00 C ATOM 292 CD GLN A 23 3.505 9.388 4.900 1.00 0.00 C ATOM 293 OE1 GLN A 23 4.301 10.019 4.204 1.00 0.00 O ATOM 294 NE2 GLN A 23 3.881 8.693 5.967 1.00 0.00 N ATOM 0 H GLN A 23 -0.758 8.555 2.787 1.00 0.00 H new ATOM 0 HA GLN A 23 0.384 11.227 3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.768 8.633 2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.561 10.193 2.669 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.518 10.143 5.150 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.600 8.414 4.873 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.187 8.185 6.515 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.864 8.667 6.239 1.00 0.00 H new ATOM 303 N VAL A 24 1.052 11.601 0.872 1.00 0.00 N ATOM 304 CA VAL A 24 1.029 12.001 -0.530 1.00 0.00 C ATOM 305 C VAL A 24 1.843 11.040 -1.389 1.00 0.00 C ATOM 306 O VAL A 24 2.671 10.285 -0.879 1.00 0.00 O ATOM 307 CB VAL A 24 1.577 13.429 -0.716 1.00 0.00 C ATOM 308 CG1 VAL A 24 0.851 14.402 0.200 1.00 0.00 C ATOM 309 CG2 VAL A 24 3.076 13.461 -0.461 1.00 0.00 C ATOM 0 H VAL A 24 1.686 12.146 1.456 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.013 11.976 -0.849 1.00 0.00 H new ATOM 0 HB VAL A 24 1.400 13.737 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.251 15.406 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.213 14.398 -0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.994 14.101 1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.447 14.477 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.279 13.134 0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.579 12.795 -1.162 1.00 0.00 H new ATOM 319 N SER A 25 1.603 11.075 -2.696 1.00 0.00 N ATOM 320 CA SER A 25 2.312 10.205 -3.627 1.00 0.00 C ATOM 321 C SER A 25 3.822 10.328 -3.443 1.00 0.00 C ATOM 322 O SER A 25 4.389 11.413 -3.580 1.00 0.00 O ATOM 323 CB SER A 25 1.933 10.548 -5.069 1.00 0.00 C ATOM 324 OG SER A 25 2.626 9.722 -5.989 1.00 0.00 O ATOM 0 H SER A 25 0.923 11.696 -3.134 1.00 0.00 H new ATOM 0 HA SER A 25 2.020 9.176 -3.417 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.858 10.427 -5.205 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.163 11.594 -5.270 1.00 0.00 H new ATOM 0 HG SER A 25 2.365 9.960 -6.903 1.00 0.00 H new ATOM 330 N TYR A 26 4.467 9.209 -3.133 1.00 0.00 N ATOM 331 CA TYR A 26 5.910 9.191 -2.927 1.00 0.00 C ATOM 332 C TYR A 26 6.426 7.760 -2.808 1.00 0.00 C ATOM 333 O TYR A 26 5.670 6.840 -2.498 1.00 0.00 O ATOM 334 CB TYR A 26 6.278 9.984 -1.672 1.00 0.00 C ATOM 335 CG TYR A 26 6.258 9.157 -0.406 1.00 0.00 C ATOM 336 CD1 TYR A 26 7.246 8.213 -0.154 1.00 0.00 C ATOM 337 CD2 TYR A 26 5.251 9.320 0.537 1.00 0.00 C ATOM 338 CE1 TYR A 26 7.231 7.454 1.001 1.00 0.00 C ATOM 339 CE2 TYR A 26 5.229 8.567 1.695 1.00 0.00 C ATOM 340 CZ TYR A 26 6.221 7.636 1.922 1.00 0.00 C ATOM 341 OH TYR A 26 6.202 6.883 3.074 1.00 0.00 O ATOM 0 H TYR A 26 4.013 8.303 -3.019 1.00 0.00 H new ATOM 0 HA TYR A 26 6.380 9.657 -3.793 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.272 10.412 -1.801 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.584 10.818 -1.563 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.039 8.070 -0.873 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.472 10.048 0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.005 6.723 1.181 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.439 8.707 2.419 1.00 0.00 H new ATOM 0 HH TYR A 26 5.426 7.135 3.617 1.00 0.00 H new ATOM 351 N GLY A 27 7.720 7.581 -3.056 1.00 0.00 N ATOM 352 CA GLY A 27 8.316 6.261 -2.971 1.00 0.00 C ATOM 353 C GLY A 27 7.668 5.270 -3.919 1.00 0.00 C ATOM 354 O GLY A 27 6.732 5.613 -4.640 1.00 0.00 O ATOM 0 H GLY A 27 8.366 8.327 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.380 6.331 -3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.229 5.892 -1.949 1.00 0.00 H new ATOM 358 N GLU A 28 8.169 4.039 -3.918 1.00 0.00 N ATOM 359 CA GLU A 28 7.634 2.997 -4.787 1.00 0.00 C ATOM 360 C GLU A 28 6.166 2.726 -4.471 1.00 0.00 C ATOM 361 O GLU A 28 5.787 2.578 -3.309 1.00 0.00 O ATOM 362 CB GLU A 28 8.446 1.709 -4.635 1.00 0.00 C ATOM 363 CG GLU A 28 9.876 1.828 -5.135 1.00 0.00 C ATOM 364 CD GLU A 28 9.966 2.508 -6.487 1.00 0.00 C ATOM 365 OE1 GLU A 28 9.198 2.128 -7.396 1.00 0.00 O ATOM 366 OE2 GLU A 28 10.804 3.422 -6.636 1.00 0.00 O ATOM 0 H GLU A 28 8.944 3.739 -3.326 1.00 0.00 H new ATOM 0 HA GLU A 28 7.708 3.345 -5.817 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.460 1.421 -3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.945 0.908 -5.179 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.465 2.390 -4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.317 0.834 -5.202 1.00 0.00 H new ATOM 373 N MET A 29 5.344 2.664 -5.514 1.00 0.00 N ATOM 374 CA MET A 29 3.918 2.411 -5.348 1.00 0.00 C ATOM 375 C MET A 29 3.414 1.427 -6.400 1.00 0.00 C ATOM 376 O MET A 29 4.121 1.114 -7.358 1.00 0.00 O ATOM 377 CB MET A 29 3.131 3.720 -5.439 1.00 0.00 C ATOM 378 CG MET A 29 3.458 4.703 -4.327 1.00 0.00 C ATOM 379 SD MET A 29 2.250 6.036 -4.202 1.00 0.00 S ATOM 380 CE MET A 29 0.842 5.156 -3.529 1.00 0.00 C ATOM 0 H MET A 29 5.641 2.785 -6.482 1.00 0.00 H new ATOM 0 HA MET A 29 3.765 1.972 -4.362 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.335 4.191 -6.401 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.065 3.496 -5.413 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.504 4.170 -3.378 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.446 5.128 -4.502 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.006 5.836 -3.444 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.580 4.330 -4.190 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.094 4.766 -2.543 1.00 0.00 H new ATOM 390 N ILE A 30 2.191 0.944 -6.214 1.00 0.00 N ATOM 391 CA ILE A 30 1.594 -0.002 -7.148 1.00 0.00 C ATOM 392 C ILE A 30 0.122 0.315 -7.387 1.00 0.00 C ATOM 393 O ILE A 30 -0.479 1.106 -6.662 1.00 0.00 O ATOM 394 CB ILE A 30 1.720 -1.450 -6.639 1.00 0.00 C ATOM 395 CG1 ILE A 30 0.746 -1.694 -5.484 1.00 0.00 C ATOM 396 CG2 ILE A 30 3.149 -1.737 -6.204 1.00 0.00 C ATOM 397 CD1 ILE A 30 1.210 -1.107 -4.169 1.00 0.00 C ATOM 0 H ILE A 30 1.594 1.192 -5.425 1.00 0.00 H new ATOM 0 HA ILE A 30 2.140 0.094 -8.086 1.00 0.00 H new ATOM 0 HB ILE A 30 1.466 -2.129 -7.453 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.224 -1.268 -5.741 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.601 -2.767 -5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.221 -2.764 -5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.822 -1.599 -7.050 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.430 -1.054 -5.402 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.471 -1.318 -3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.165 -1.551 -3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.328 -0.028 -4.273 1.00 0.00 H new ATOM 409 N GLY A 31 -0.455 -0.311 -8.409 1.00 0.00 N ATOM 410 CA GLY A 31 -1.853 -0.084 -8.724 1.00 0.00 C ATOM 411 C GLY A 31 -2.696 -1.333 -8.556 1.00 0.00 C ATOM 412 O GLY A 31 -2.707 -2.205 -9.425 1.00 0.00 O ATOM 0 H GLY A 31 0.021 -0.971 -9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.244 0.704 -8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.938 0.272 -9.751 1.00 0.00 H new ATOM 416 N CYS A 32 -3.403 -1.421 -7.434 1.00 0.00 N ATOM 417 CA CYS A 32 -4.251 -2.573 -7.153 1.00 0.00 C ATOM 418 C CYS A 32 -4.946 -3.060 -8.421 1.00 0.00 C ATOM 419 O CYS A 32 -5.488 -2.264 -9.188 1.00 0.00 O ATOM 420 CB CYS A 32 -5.293 -2.218 -6.091 1.00 0.00 C ATOM 421 SG CYS A 32 -6.208 -3.652 -5.439 1.00 0.00 S ATOM 0 H CYS A 32 -3.405 -0.708 -6.705 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.617 -3.376 -6.777 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.795 -1.711 -5.264 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.004 -1.510 -6.517 1.00 0.00 H new ATOM 426 N ASP A 33 -4.926 -4.371 -8.634 1.00 0.00 N ATOM 427 CA ASP A 33 -5.556 -4.964 -9.808 1.00 0.00 C ATOM 428 C ASP A 33 -7.049 -4.654 -9.839 1.00 0.00 C ATOM 429 O ASP A 33 -7.616 -4.390 -10.899 1.00 0.00 O ATOM 430 CB ASP A 33 -5.336 -6.478 -9.820 1.00 0.00 C ATOM 431 CG ASP A 33 -3.960 -6.867 -9.318 1.00 0.00 C ATOM 432 OD1 ASP A 33 -2.987 -6.151 -9.636 1.00 0.00 O ATOM 433 OD2 ASP A 33 -3.855 -7.888 -8.607 1.00 0.00 O ATOM 0 H ASP A 33 -4.481 -5.043 -8.009 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.095 -4.530 -10.696 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.094 -6.957 -9.201 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.469 -6.853 -10.835 1.00 0.00 H new ATOM 438 N ASN A 34 -7.680 -4.688 -8.670 1.00 0.00 N ATOM 439 CA ASN A 34 -9.108 -4.411 -8.564 1.00 0.00 C ATOM 440 C ASN A 34 -9.426 -2.998 -9.043 1.00 0.00 C ATOM 441 O ASN A 34 -8.963 -2.006 -8.479 1.00 0.00 O ATOM 442 CB ASN A 34 -9.577 -4.590 -7.119 1.00 0.00 C ATOM 443 CG ASN A 34 -11.067 -4.856 -7.023 1.00 0.00 C ATOM 444 OD1 ASN A 34 -11.730 -5.107 -8.030 1.00 0.00 O ATOM 445 ND2 ASN A 34 -11.601 -4.801 -5.809 1.00 0.00 N ATOM 0 H ASN A 34 -7.225 -4.905 -7.783 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.638 -5.119 -9.201 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.033 -5.417 -6.663 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.333 -3.695 -6.547 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.599 -4.970 -5.683 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.013 -4.589 -5.003 1.00 0.00 H new ATOM 452 N PRO A 35 -10.235 -2.902 -10.108 1.00 0.00 N ATOM 453 CA PRO A 35 -10.634 -1.615 -10.685 1.00 0.00 C ATOM 454 C PRO A 35 -11.579 -0.839 -9.775 1.00 0.00 C ATOM 455 O PRO A 35 -11.672 0.386 -9.860 1.00 0.00 O ATOM 456 CB PRO A 35 -11.346 -2.013 -11.981 1.00 0.00 C ATOM 457 CG PRO A 35 -11.839 -3.397 -11.732 1.00 0.00 C ATOM 458 CD PRO A 35 -10.823 -4.042 -10.830 1.00 0.00 C ATOM 0 HA PRO A 35 -9.780 -0.954 -10.837 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.169 -1.334 -12.205 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -10.666 -1.982 -12.832 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.823 -3.382 -11.264 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -11.939 -3.950 -12.666 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -11.287 -4.754 -10.147 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.071 -4.589 -11.398 1.00 0.00 H new ATOM 466 N ASP A 36 -12.278 -1.559 -8.904 1.00 0.00 N ATOM 467 CA ASP A 36 -13.215 -0.937 -7.976 1.00 0.00 C ATOM 468 C ASP A 36 -12.473 -0.237 -6.842 1.00 0.00 C ATOM 469 O ASP A 36 -12.837 0.867 -6.436 1.00 0.00 O ATOM 470 CB ASP A 36 -14.172 -1.985 -7.405 1.00 0.00 C ATOM 471 CG ASP A 36 -15.389 -2.197 -8.284 1.00 0.00 C ATOM 472 OD1 ASP A 36 -16.011 -1.193 -8.689 1.00 0.00 O ATOM 473 OD2 ASP A 36 -15.719 -3.368 -8.566 1.00 0.00 O ATOM 0 H ASP A 36 -12.213 -2.574 -8.821 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.790 -0.191 -8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.643 -2.931 -7.288 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.495 -1.675 -6.411 1.00 0.00 H new ATOM 478 N CYS A 37 -11.431 -0.886 -6.334 1.00 0.00 N ATOM 479 CA CYS A 37 -10.638 -0.327 -5.245 1.00 0.00 C ATOM 480 C CYS A 37 -10.512 1.187 -5.386 1.00 0.00 C ATOM 481 O CYS A 37 -10.061 1.689 -6.415 1.00 0.00 O ATOM 482 CB CYS A 37 -9.248 -0.966 -5.219 1.00 0.00 C ATOM 483 SG CYS A 37 -8.422 -0.884 -3.598 1.00 0.00 S ATOM 0 H CYS A 37 -11.116 -1.800 -6.659 1.00 0.00 H new ATOM 0 HA CYS A 37 -11.148 -0.545 -4.307 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -9.334 -2.011 -5.518 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.619 -0.473 -5.960 1.00 0.00 H new ATOM 488 N SER A 38 -10.912 1.908 -4.344 1.00 0.00 N ATOM 489 CA SER A 38 -10.847 3.365 -4.352 1.00 0.00 C ATOM 490 C SER A 38 -9.400 3.844 -4.308 1.00 0.00 C ATOM 491 O SER A 38 -8.981 4.665 -5.125 1.00 0.00 O ATOM 492 CB SER A 38 -11.622 3.937 -3.163 1.00 0.00 C ATOM 493 OG SER A 38 -11.832 5.330 -3.315 1.00 0.00 O ATOM 0 H SER A 38 -11.285 1.507 -3.483 1.00 0.00 H new ATOM 0 HA SER A 38 -11.301 3.720 -5.277 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.582 3.429 -3.072 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.072 3.747 -2.241 1.00 0.00 H new ATOM 0 HG SER A 38 -12.331 5.672 -2.544 1.00 0.00 H new ATOM 499 N ILE A 39 -8.640 3.326 -3.349 1.00 0.00 N ATOM 500 CA ILE A 39 -7.239 3.700 -3.199 1.00 0.00 C ATOM 501 C ILE A 39 -6.399 3.155 -4.348 1.00 0.00 C ATOM 502 O ILE A 39 -5.689 3.904 -5.020 1.00 0.00 O ATOM 503 CB ILE A 39 -6.660 3.188 -1.867 1.00 0.00 C ATOM 504 CG1 ILE A 39 -7.562 3.599 -0.701 1.00 0.00 C ATOM 505 CG2 ILE A 39 -5.249 3.720 -1.664 1.00 0.00 C ATOM 506 CD1 ILE A 39 -7.247 2.878 0.590 1.00 0.00 C ATOM 0 H ILE A 39 -8.971 2.646 -2.664 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.200 4.789 -3.208 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.616 2.099 -1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.467 4.673 -0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.601 3.407 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.853 3.350 -0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.612 3.382 -2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.270 4.810 -1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.925 3.219 1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.369 1.804 0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.219 3.090 0.884 1.00 0.00 H new ATOM 518 N GLU A 40 -6.486 1.848 -4.570 1.00 0.00 N ATOM 519 CA GLU A 40 -5.733 1.203 -5.640 1.00 0.00 C ATOM 520 C GLU A 40 -4.357 1.843 -5.799 1.00 0.00 C ATOM 521 O GLU A 40 -3.856 1.994 -6.913 1.00 0.00 O ATOM 522 CB GLU A 40 -6.503 1.291 -6.960 1.00 0.00 C ATOM 523 CG GLU A 40 -7.277 2.587 -7.128 1.00 0.00 C ATOM 524 CD GLU A 40 -7.888 2.727 -8.509 1.00 0.00 C ATOM 525 OE1 GLU A 40 -8.498 1.748 -8.989 1.00 0.00 O ATOM 526 OE2 GLU A 40 -7.757 3.814 -9.109 1.00 0.00 O ATOM 0 H GLU A 40 -7.070 1.215 -4.024 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.599 0.154 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.801 1.187 -7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.197 0.453 -7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.067 2.634 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.611 3.430 -6.942 1.00 0.00 H new ATOM 533 N TRP A 41 -3.752 2.217 -4.677 1.00 0.00 N ATOM 534 CA TRP A 41 -2.434 2.841 -4.691 1.00 0.00 C ATOM 535 C TRP A 41 -1.820 2.847 -3.296 1.00 0.00 C ATOM 536 O TRP A 41 -2.306 3.531 -2.396 1.00 0.00 O ATOM 537 CB TRP A 41 -2.530 4.271 -5.225 1.00 0.00 C ATOM 538 CG TRP A 41 -2.540 4.347 -6.722 1.00 0.00 C ATOM 539 CD1 TRP A 41 -3.628 4.534 -7.526 1.00 0.00 C ATOM 540 CD2 TRP A 41 -1.409 4.236 -7.594 1.00 0.00 C ATOM 541 NE1 TRP A 41 -3.242 4.545 -8.845 1.00 0.00 N ATOM 542 CE2 TRP A 41 -1.886 4.365 -8.913 1.00 0.00 C ATOM 543 CE3 TRP A 41 -0.041 4.041 -7.388 1.00 0.00 C ATOM 544 CZ2 TRP A 41 -1.041 4.305 -10.018 1.00 0.00 C ATOM 545 CZ3 TRP A 41 0.796 3.981 -8.486 1.00 0.00 C ATOM 546 CH2 TRP A 41 0.294 4.113 -9.788 1.00 0.00 C ATOM 0 H TRP A 41 -4.153 2.099 -3.747 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.790 2.257 -5.349 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.437 4.735 -4.839 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.689 4.850 -4.845 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -4.643 4.655 -7.177 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.864 4.667 -9.644 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.355 3.939 -6.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.426 4.407 -11.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.855 3.830 -8.338 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.974 4.062 -10.626 1.00 0.00 H new ATOM 557 N PHE A 42 -0.748 2.080 -3.123 1.00 0.00 N ATOM 558 CA PHE A 42 -0.068 1.996 -1.836 1.00 0.00 C ATOM 559 C PHE A 42 1.446 2.051 -2.017 1.00 0.00 C ATOM 560 O PHE A 42 1.949 2.057 -3.141 1.00 0.00 O ATOM 561 CB PHE A 42 -0.460 0.707 -1.111 1.00 0.00 C ATOM 562 CG PHE A 42 -1.944 0.500 -1.015 1.00 0.00 C ATOM 563 CD1 PHE A 42 -2.669 0.068 -2.114 1.00 0.00 C ATOM 564 CD2 PHE A 42 -2.615 0.739 0.174 1.00 0.00 C ATOM 565 CE1 PHE A 42 -4.035 -0.123 -2.029 1.00 0.00 C ATOM 566 CE2 PHE A 42 -3.981 0.549 0.264 1.00 0.00 C ATOM 567 CZ PHE A 42 -4.692 0.118 -0.839 1.00 0.00 C ATOM 0 H PHE A 42 -0.332 1.508 -3.858 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.376 2.851 -1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.016 -0.142 -1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.038 0.722 -0.106 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.161 -0.122 -3.048 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.065 1.077 1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.588 -0.461 -2.893 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.492 0.737 1.196 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.760 -0.030 -0.771 1.00 0.00 H new ATOM 577 N HIS A 43 2.168 2.092 -0.901 1.00 0.00 N ATOM 578 CA HIS A 43 3.626 2.146 -0.935 1.00 0.00 C ATOM 579 C HIS A 43 4.228 0.779 -0.625 1.00 0.00 C ATOM 580 O HIS A 43 3.728 0.049 0.231 1.00 0.00 O ATOM 581 CB HIS A 43 4.142 3.183 0.064 1.00 0.00 C ATOM 582 CG HIS A 43 3.427 4.497 -0.014 1.00 0.00 C ATOM 583 ND1 HIS A 43 2.592 4.959 0.981 1.00 0.00 N ATOM 584 CD2 HIS A 43 3.429 5.450 -0.975 1.00 0.00 C ATOM 585 CE1 HIS A 43 2.109 6.139 0.634 1.00 0.00 C ATOM 586 NE2 HIS A 43 2.602 6.460 -0.548 1.00 0.00 N ATOM 0 H HIS A 43 1.768 2.089 0.037 1.00 0.00 H new ATOM 0 HA HIS A 43 3.931 2.437 -1.940 1.00 0.00 H new ATOM 0 HB2 HIS A 43 4.043 2.784 1.073 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.205 3.346 -0.111 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.978 5.422 -1.904 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.427 6.739 1.218 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.401 7.319 -1.061 1.00 0.00 H new ATOM 594 N PHE A 44 5.304 0.439 -1.327 1.00 0.00 N ATOM 595 CA PHE A 44 5.974 -0.841 -1.128 1.00 0.00 C ATOM 596 C PHE A 44 6.313 -1.054 0.344 1.00 0.00 C ATOM 597 O PHE A 44 5.789 -1.963 0.987 1.00 0.00 O ATOM 598 CB PHE A 44 7.248 -0.910 -1.972 1.00 0.00 C ATOM 599 CG PHE A 44 6.997 -1.269 -3.408 1.00 0.00 C ATOM 600 CD1 PHE A 44 6.066 -0.569 -4.159 1.00 0.00 C ATOM 601 CD2 PHE A 44 7.692 -2.306 -4.009 1.00 0.00 C ATOM 602 CE1 PHE A 44 5.832 -0.898 -5.480 1.00 0.00 C ATOM 603 CE2 PHE A 44 7.463 -2.639 -5.331 1.00 0.00 C ATOM 604 CZ PHE A 44 6.533 -1.933 -6.068 1.00 0.00 C ATOM 0 H PHE A 44 5.731 1.032 -2.039 1.00 0.00 H new ATOM 0 HA PHE A 44 5.294 -1.632 -1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.755 0.054 -1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.924 -1.645 -1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.517 0.243 -3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.421 -2.861 -3.438 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.101 -0.346 -6.053 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.011 -3.450 -5.787 1.00 0.00 H new ATOM 0 HZ PHE A 44 6.354 -2.189 -7.102 1.00 0.00 H new ATOM 614 N ALA A 45 7.193 -0.209 0.871 1.00 0.00 N ATOM 615 CA ALA A 45 7.601 -0.303 2.267 1.00 0.00 C ATOM 616 C ALA A 45 6.402 -0.556 3.174 1.00 0.00 C ATOM 617 O ALA A 45 6.441 -1.426 4.045 1.00 0.00 O ATOM 618 CB ALA A 45 8.328 0.965 2.691 1.00 0.00 C ATOM 0 H ALA A 45 7.637 0.548 0.352 1.00 0.00 H new ATOM 0 HA ALA A 45 8.282 -1.149 2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.627 0.881 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.213 1.102 2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.665 1.822 2.571 1.00 0.00 H new ATOM 624 N CYS A 46 5.336 0.210 2.966 1.00 0.00 N ATOM 625 CA CYS A 46 4.125 0.070 3.765 1.00 0.00 C ATOM 626 C CYS A 46 3.511 -1.316 3.585 1.00 0.00 C ATOM 627 O CYS A 46 3.232 -2.015 4.559 1.00 0.00 O ATOM 628 CB CYS A 46 3.107 1.145 3.379 1.00 0.00 C ATOM 629 SG CYS A 46 3.346 2.736 4.233 1.00 0.00 S ATOM 0 H CYS A 46 5.287 0.935 2.250 1.00 0.00 H new ATOM 0 HA CYS A 46 4.395 0.195 4.814 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.160 1.311 2.303 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.105 0.776 3.596 1.00 0.00 H new ATOM 634 N VAL A 47 3.304 -1.707 2.331 1.00 0.00 N ATOM 635 CA VAL A 47 2.725 -3.009 2.022 1.00 0.00 C ATOM 636 C VAL A 47 3.793 -4.097 2.013 1.00 0.00 C ATOM 637 O VAL A 47 3.692 -5.075 1.274 1.00 0.00 O ATOM 638 CB VAL A 47 2.010 -2.995 0.658 1.00 0.00 C ATOM 639 CG1 VAL A 47 0.802 -2.072 0.697 1.00 0.00 C ATOM 640 CG2 VAL A 47 2.973 -2.580 -0.444 1.00 0.00 C ATOM 0 H VAL A 47 3.529 -1.141 1.513 1.00 0.00 H new ATOM 0 HA VAL A 47 1.997 -3.226 2.804 1.00 0.00 H new ATOM 0 HB VAL A 47 1.659 -4.004 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.310 -2.075 -0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.103 -2.419 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.126 -1.059 0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.451 -2.576 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.356 -1.581 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.803 -3.285 -0.487 1.00 0.00 H new ATOM 650 N GLY A 48 4.818 -3.920 2.842 1.00 0.00 N ATOM 651 CA GLY A 48 5.890 -4.894 2.914 1.00 0.00 C ATOM 652 C GLY A 48 6.169 -5.550 1.577 1.00 0.00 C ATOM 653 O GLY A 48 6.023 -6.765 1.429 1.00 0.00 O ATOM 0 H GLY A 48 4.924 -3.119 3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.797 -4.406 3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.631 -5.661 3.644 1.00 0.00 H new ATOM 657 N LEU A 49 6.570 -4.747 0.598 1.00 0.00 N ATOM 658 CA LEU A 49 6.868 -5.256 -0.736 1.00 0.00 C ATOM 659 C LEU A 49 8.343 -5.067 -1.074 1.00 0.00 C ATOM 660 O LEU A 49 8.741 -4.033 -1.613 1.00 0.00 O ATOM 661 CB LEU A 49 5.999 -4.550 -1.779 1.00 0.00 C ATOM 662 CG LEU A 49 4.663 -5.219 -2.104 1.00 0.00 C ATOM 663 CD1 LEU A 49 3.891 -4.401 -3.127 1.00 0.00 C ATOM 664 CD2 LEU A 49 4.886 -6.637 -2.609 1.00 0.00 C ATOM 0 H LEU A 49 6.696 -3.740 0.703 1.00 0.00 H new ATOM 0 HA LEU A 49 6.645 -6.323 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.800 -3.537 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.573 -4.463 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 49 4.072 -5.269 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.943 -4.893 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.699 -3.405 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.476 -4.318 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.925 -7.098 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.497 -6.610 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.396 -7.220 -1.843 1.00 0.00 H new ATOM 676 N THR A 50 9.152 -6.072 -0.756 1.00 0.00 N ATOM 677 CA THR A 50 10.583 -6.018 -1.027 1.00 0.00 C ATOM 678 C THR A 50 10.854 -5.723 -2.498 1.00 0.00 C ATOM 679 O THR A 50 11.840 -5.070 -2.840 1.00 0.00 O ATOM 680 CB THR A 50 11.279 -7.337 -0.643 1.00 0.00 C ATOM 681 OG1 THR A 50 12.668 -7.277 -0.985 1.00 0.00 O ATOM 682 CG2 THR A 50 10.628 -8.517 -1.350 1.00 0.00 C ATOM 0 H THR A 50 8.840 -6.935 -0.310 1.00 0.00 H new ATOM 0 HA THR A 50 10.989 -5.211 -0.417 1.00 0.00 H new ATOM 0 HB THR A 50 11.177 -7.476 0.433 1.00 0.00 H new ATOM 0 HG1 THR A 50 13.103 -8.119 -0.736 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.136 -9.438 -1.064 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.578 -8.578 -1.064 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.703 -8.381 -2.429 1.00 0.00 H new ATOM 690 N THR A 51 9.971 -6.207 -3.366 1.00 0.00 N ATOM 691 CA THR A 51 10.115 -5.996 -4.801 1.00 0.00 C ATOM 692 C THR A 51 8.755 -5.900 -5.482 1.00 0.00 C ATOM 693 O THR A 51 7.717 -6.095 -4.849 1.00 0.00 O ATOM 694 CB THR A 51 10.926 -7.129 -5.457 1.00 0.00 C ATOM 695 OG1 THR A 51 10.441 -8.400 -5.011 1.00 0.00 O ATOM 696 CG2 THR A 51 12.405 -6.999 -5.123 1.00 0.00 C ATOM 0 H THR A 51 9.148 -6.748 -3.100 1.00 0.00 H new ATOM 0 HA THR A 51 10.650 -5.055 -4.930 1.00 0.00 H new ATOM 0 HB THR A 51 10.806 -7.054 -6.538 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.961 -9.115 -5.434 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.958 -7.810 -5.597 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.778 -6.043 -5.490 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.540 -7.051 -4.043 1.00 0.00 H new ATOM 704 N LYS A 52 8.766 -5.600 -6.776 1.00 0.00 N ATOM 705 CA LYS A 52 7.533 -5.480 -7.545 1.00 0.00 C ATOM 706 C LYS A 52 6.964 -6.855 -7.879 1.00 0.00 C ATOM 707 O LYS A 52 7.624 -7.694 -8.493 1.00 0.00 O ATOM 708 CB LYS A 52 7.785 -4.694 -8.833 1.00 0.00 C ATOM 709 CG LYS A 52 6.535 -4.054 -9.410 1.00 0.00 C ATOM 710 CD LYS A 52 6.848 -3.243 -10.657 1.00 0.00 C ATOM 711 CE LYS A 52 7.391 -1.866 -10.304 1.00 0.00 C ATOM 712 NZ LYS A 52 7.442 -0.969 -11.492 1.00 0.00 N ATOM 0 H LYS A 52 9.616 -5.435 -7.315 1.00 0.00 H new ATOM 0 HA LYS A 52 6.806 -4.943 -6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.523 -3.916 -8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.218 -5.362 -9.578 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.807 -4.828 -9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.077 -3.409 -8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.577 -3.777 -11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.946 -3.136 -11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.764 -1.415 -9.535 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.391 -1.967 -9.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.817 -0.041 -11.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.060 -1.387 -12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.484 -0.852 -11.880 1.00 0.00 H new ATOM 726 N PRO A 53 5.710 -7.094 -7.467 1.00 0.00 N ATOM 727 CA PRO A 53 5.025 -8.366 -7.713 1.00 0.00 C ATOM 728 C PRO A 53 4.684 -8.565 -9.186 1.00 0.00 C ATOM 729 O PRO A 53 4.394 -7.605 -9.901 1.00 0.00 O ATOM 730 CB PRO A 53 3.747 -8.248 -6.880 1.00 0.00 C ATOM 731 CG PRO A 53 3.505 -6.783 -6.762 1.00 0.00 C ATOM 732 CD PRO A 53 4.865 -6.141 -6.730 1.00 0.00 C ATOM 0 HA PRO A 53 5.646 -9.221 -7.447 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.910 -8.749 -7.366 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.869 -8.709 -5.900 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.919 -6.415 -7.604 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.943 -6.552 -5.857 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.857 -5.160 -7.205 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.218 -5.998 -5.709 1.00 0.00 H new ATOM 740 N ARG A 54 4.719 -9.816 -9.634 1.00 0.00 N ATOM 741 CA ARG A 54 4.414 -10.140 -11.022 1.00 0.00 C ATOM 742 C ARG A 54 3.031 -10.774 -11.141 1.00 0.00 C ATOM 743 O ARG A 54 2.460 -11.233 -10.152 1.00 0.00 O ATOM 744 CB ARG A 54 5.472 -11.087 -11.591 1.00 0.00 C ATOM 745 CG ARG A 54 5.736 -10.883 -13.074 1.00 0.00 C ATOM 746 CD ARG A 54 6.866 -9.893 -13.308 1.00 0.00 C ATOM 747 NE ARG A 54 7.208 -9.776 -14.723 1.00 0.00 N ATOM 748 CZ ARG A 54 8.397 -9.378 -15.161 1.00 0.00 C ATOM 749 NH1 ARG A 54 9.354 -9.061 -14.299 1.00 0.00 N ATOM 750 NH2 ARG A 54 8.632 -9.297 -16.465 1.00 0.00 N ATOM 0 H ARG A 54 4.956 -10.622 -9.055 1.00 0.00 H new ATOM 0 HA ARG A 54 4.420 -9.213 -11.595 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.404 -10.949 -11.042 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.153 -12.116 -11.425 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.987 -11.838 -13.535 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.829 -10.523 -13.560 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.577 -8.915 -12.923 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.746 -10.208 -12.747 1.00 0.00 H new ATOM 0 HE ARG A 54 6.495 -10.013 -15.413 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.178 -9.123 -13.296 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.266 -8.756 -14.639 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.899 -9.540 -17.131 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.545 -8.991 -16.801 1.00 0.00 H new ATOM 764 N GLY A 55 2.498 -10.796 -12.359 1.00 0.00 N ATOM 765 CA GLY A 55 1.187 -11.376 -12.585 1.00 0.00 C ATOM 766 C GLY A 55 0.067 -10.491 -12.077 1.00 0.00 C ATOM 767 O GLY A 55 -0.474 -9.672 -12.821 1.00 0.00 O ATOM 0 H GLY A 55 2.951 -10.422 -13.193 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.050 -11.553 -13.652 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.132 -12.346 -12.091 1.00 0.00 H new ATOM 771 N LYS A 56 -0.286 -10.655 -10.807 1.00 0.00 N ATOM 772 CA LYS A 56 -1.350 -9.865 -10.199 1.00 0.00 C ATOM 773 C LYS A 56 -1.055 -9.596 -8.726 1.00 0.00 C ATOM 774 O LYS A 56 -0.524 -10.456 -8.023 1.00 0.00 O ATOM 775 CB LYS A 56 -2.692 -10.587 -10.337 1.00 0.00 C ATOM 776 CG LYS A 56 -3.109 -10.824 -11.779 1.00 0.00 C ATOM 777 CD LYS A 56 -4.617 -10.955 -11.908 1.00 0.00 C ATOM 778 CE LYS A 56 -5.288 -9.595 -12.020 1.00 0.00 C ATOM 779 NZ LYS A 56 -5.232 -9.062 -13.409 1.00 0.00 N ATOM 0 H LYS A 56 0.150 -11.329 -10.178 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.402 -8.910 -10.721 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.634 -11.546 -9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.463 -10.002 -9.836 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.760 -9.999 -12.400 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.631 -11.729 -12.153 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.857 -11.554 -12.787 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.012 -11.487 -11.042 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.328 -9.676 -11.704 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.802 -8.893 -11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.700 -8.134 -13.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.239 -8.961 -13.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.718 -9.719 -14.053 1.00 0.00 H new ATOM 793 N TRP A 57 -1.403 -8.400 -8.267 1.00 0.00 N ATOM 794 CA TRP A 57 -1.176 -8.020 -6.877 1.00 0.00 C ATOM 795 C TRP A 57 -2.405 -7.331 -6.294 1.00 0.00 C ATOM 796 O TRP A 57 -2.801 -6.257 -6.748 1.00 0.00 O ATOM 797 CB TRP A 57 0.039 -7.097 -6.771 1.00 0.00 C ATOM 798 CG TRP A 57 0.316 -6.638 -5.371 1.00 0.00 C ATOM 799 CD1 TRP A 57 1.111 -7.256 -4.449 1.00 0.00 C ATOM 800 CD2 TRP A 57 -0.202 -5.464 -4.736 1.00 0.00 C ATOM 801 NE1 TRP A 57 1.118 -6.538 -3.277 1.00 0.00 N ATOM 802 CE2 TRP A 57 0.321 -5.434 -3.428 1.00 0.00 C ATOM 803 CE3 TRP A 57 -1.055 -4.436 -5.145 1.00 0.00 C ATOM 804 CZ2 TRP A 57 0.016 -4.415 -2.529 1.00 0.00 C ATOM 805 CZ3 TRP A 57 -1.356 -3.426 -4.251 1.00 0.00 C ATOM 806 CH2 TRP A 57 -0.821 -3.421 -2.956 1.00 0.00 C ATOM 0 H TRP A 57 -1.843 -7.677 -8.836 1.00 0.00 H new ATOM 0 HA TRP A 57 -0.985 -8.928 -6.305 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.916 -7.617 -7.155 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.119 -6.226 -7.407 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.655 -8.174 -4.616 1.00 0.00 H new ATOM 0 HE1 TRP A 57 1.633 -6.787 -2.432 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.472 -4.431 -6.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 0.426 -4.410 -1.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.015 -2.627 -4.556 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.075 -2.616 -2.282 1.00 0.00 H new ATOM 817 N PHE A 58 -3.005 -7.955 -5.285 1.00 0.00 N ATOM 818 CA PHE A 58 -4.190 -7.402 -4.641 1.00 0.00 C ATOM 819 C PHE A 58 -3.839 -6.797 -3.284 1.00 0.00 C ATOM 820 O PHE A 58 -3.389 -7.498 -2.377 1.00 0.00 O ATOM 821 CB PHE A 58 -5.256 -8.486 -4.468 1.00 0.00 C ATOM 822 CG PHE A 58 -5.831 -8.974 -5.767 1.00 0.00 C ATOM 823 CD1 PHE A 58 -6.690 -8.174 -6.503 1.00 0.00 C ATOM 824 CD2 PHE A 58 -5.511 -10.232 -6.253 1.00 0.00 C ATOM 825 CE1 PHE A 58 -7.221 -8.621 -7.698 1.00 0.00 C ATOM 826 CE2 PHE A 58 -6.039 -10.684 -7.448 1.00 0.00 C ATOM 827 CZ PHE A 58 -6.894 -9.877 -8.172 1.00 0.00 C ATOM 0 H PHE A 58 -2.690 -8.844 -4.896 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.585 -6.613 -5.280 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.821 -9.330 -3.933 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.062 -8.096 -3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.947 -7.190 -6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.841 -10.867 -5.692 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.891 -7.989 -8.261 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.783 -11.667 -7.815 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.306 -10.227 -9.107 1.00 0.00 H new ATOM 837 N CYS A 59 -4.049 -5.492 -3.153 1.00 0.00 N ATOM 838 CA CYS A 59 -3.754 -4.791 -1.909 1.00 0.00 C ATOM 839 C CYS A 59 -4.211 -5.607 -0.704 1.00 0.00 C ATOM 840 O CYS A 59 -5.128 -6.424 -0.787 1.00 0.00 O ATOM 841 CB CYS A 59 -4.434 -3.420 -1.899 1.00 0.00 C ATOM 842 SG CYS A 59 -6.215 -3.477 -1.516 1.00 0.00 S ATOM 0 H CYS A 59 -4.423 -4.898 -3.893 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.675 -4.654 -1.844 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.936 -2.784 -1.167 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.297 -2.951 -2.874 1.00 0.00 H new ATOM 847 N PRO A 60 -3.557 -5.381 0.445 1.00 0.00 N ATOM 848 CA PRO A 60 -3.879 -6.085 1.691 1.00 0.00 C ATOM 849 C PRO A 60 -5.228 -5.664 2.262 1.00 0.00 C ATOM 850 O PRO A 60 -5.616 -6.098 3.347 1.00 0.00 O ATOM 851 CB PRO A 60 -2.746 -5.672 2.634 1.00 0.00 C ATOM 852 CG PRO A 60 -2.276 -4.359 2.110 1.00 0.00 C ATOM 853 CD PRO A 60 -2.453 -4.422 0.618 1.00 0.00 C ATOM 0 HA PRO A 60 -3.957 -7.162 1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.098 -5.585 3.662 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -1.943 -6.409 2.634 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.853 -3.539 2.537 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.232 -4.185 2.372 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.700 -3.446 0.201 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -1.545 -4.761 0.120 1.00 0.00 H new ATOM 861 N ARG A 61 -5.940 -4.818 1.525 1.00 0.00 N ATOM 862 CA ARG A 61 -7.246 -4.338 1.960 1.00 0.00 C ATOM 863 C ARG A 61 -8.364 -5.026 1.181 1.00 0.00 C ATOM 864 O ARG A 61 -9.505 -5.091 1.640 1.00 0.00 O ATOM 865 CB ARG A 61 -7.342 -2.822 1.780 1.00 0.00 C ATOM 866 CG ARG A 61 -6.334 -2.045 2.610 1.00 0.00 C ATOM 867 CD ARG A 61 -6.455 -0.547 2.375 1.00 0.00 C ATOM 868 NE ARG A 61 -7.757 -0.031 2.787 1.00 0.00 N ATOM 869 CZ ARG A 61 -8.790 0.101 1.962 1.00 0.00 C ATOM 870 NH1 ARG A 61 -8.673 -0.243 0.687 1.00 0.00 N ATOM 871 NH2 ARG A 61 -9.943 0.578 2.413 1.00 0.00 N ATOM 0 H ARG A 61 -5.634 -4.451 0.624 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.361 -4.579 3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.197 -2.580 0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.347 -2.496 2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.487 -2.262 3.667 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.325 -2.373 2.360 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.669 -0.029 2.925 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.298 -0.332 1.318 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.880 0.243 3.762 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.788 -0.610 0.337 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.468 -0.141 0.056 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.037 0.844 3.393 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.736 0.679 1.779 1.00 0.00 H new ATOM 885 N CYS A 62 -8.029 -5.536 0.001 1.00 0.00 N ATOM 886 CA CYS A 62 -9.003 -6.218 -0.842 1.00 0.00 C ATOM 887 C CYS A 62 -8.948 -7.728 -0.626 1.00 0.00 C ATOM 888 O CYS A 62 -9.976 -8.376 -0.436 1.00 0.00 O ATOM 889 CB CYS A 62 -8.750 -5.893 -2.315 1.00 0.00 C ATOM 890 SG CYS A 62 -9.152 -4.177 -2.777 1.00 0.00 S ATOM 0 H CYS A 62 -7.089 -5.490 -0.393 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.996 -5.865 -0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -7.701 -6.083 -2.543 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -9.339 -6.572 -2.932 1.00 0.00 H new ATOM 895 N SER A 63 -7.739 -8.280 -0.658 1.00 0.00 N ATOM 896 CA SER A 63 -7.549 -9.714 -0.470 1.00 0.00 C ATOM 897 C SER A 63 -7.947 -10.134 0.942 1.00 0.00 C ATOM 898 O SER A 63 -8.664 -11.117 1.128 1.00 0.00 O ATOM 899 CB SER A 63 -6.091 -10.095 -0.736 1.00 0.00 C ATOM 900 OG SER A 63 -5.951 -11.497 -0.893 1.00 0.00 O ATOM 0 H SER A 63 -6.877 -7.757 -0.812 1.00 0.00 H new ATOM 0 HA SER A 63 -8.190 -10.237 -1.180 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.737 -9.588 -1.634 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.466 -9.754 0.090 1.00 0.00 H new ATOM 0 HG SER A 63 -5.011 -11.715 -1.064 1.00 0.00 H new ATOM 906 N GLN A 64 -7.477 -9.381 1.931 1.00 0.00 N ATOM 907 CA GLN A 64 -7.783 -9.676 3.326 1.00 0.00 C ATOM 908 C GLN A 64 -8.892 -8.766 3.844 1.00 0.00 C ATOM 909 O GLN A 64 -8.636 -7.826 4.595 1.00 0.00 O ATOM 910 CB GLN A 64 -6.531 -9.516 4.190 1.00 0.00 C ATOM 911 CG GLN A 64 -5.373 -10.398 3.752 1.00 0.00 C ATOM 912 CD GLN A 64 -4.094 -10.101 4.511 1.00 0.00 C ATOM 913 OE1 GLN A 64 -4.118 -9.472 5.569 1.00 0.00 O ATOM 914 NE2 GLN A 64 -2.968 -10.554 3.973 1.00 0.00 N ATOM 0 H GLN A 64 -6.884 -8.563 1.793 1.00 0.00 H new ATOM 0 HA GLN A 64 -8.127 -10.708 3.386 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.213 -8.474 4.165 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.782 -9.748 5.225 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.643 -11.444 3.897 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.199 -10.259 2.685 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.995 -11.071 3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.076 -10.385 4.439 1.00 0.00 H new ATOM 923 N GLU A 65 -10.125 -9.053 3.436 1.00 0.00 N ATOM 924 CA GLU A 65 -11.272 -8.258 3.858 1.00 0.00 C ATOM 925 C GLU A 65 -12.327 -9.138 4.523 1.00 0.00 C ATOM 926 O GLU A 65 -13.010 -9.918 3.859 1.00 0.00 O ATOM 927 CB GLU A 65 -11.883 -7.527 2.661 1.00 0.00 C ATOM 928 CG GLU A 65 -12.932 -6.498 3.047 1.00 0.00 C ATOM 929 CD GLU A 65 -12.473 -5.591 4.173 1.00 0.00 C ATOM 930 OE1 GLU A 65 -11.486 -4.853 3.976 1.00 0.00 O ATOM 931 OE2 GLU A 65 -13.103 -5.620 5.251 1.00 0.00 O ATOM 0 H GLU A 65 -10.354 -9.829 2.815 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.925 -7.523 4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.088 -7.031 2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.333 -8.259 1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.179 -5.892 2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.845 -7.011 3.348 1.00 0.00 H new ATOM 938 N SER A 66 -12.455 -9.006 5.840 1.00 0.00 N ATOM 939 CA SER A 66 -13.423 -9.791 6.597 1.00 0.00 C ATOM 940 C SER A 66 -14.687 -10.032 5.776 1.00 0.00 C ATOM 941 O SER A 66 -15.519 -9.140 5.621 1.00 0.00 O ATOM 942 CB SER A 66 -13.778 -9.080 7.904 1.00 0.00 C ATOM 943 OG SER A 66 -14.742 -9.814 8.638 1.00 0.00 O ATOM 0 H SER A 66 -11.900 -8.363 6.405 1.00 0.00 H new ATOM 0 HA SER A 66 -12.971 -10.755 6.828 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.879 -8.950 8.507 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.163 -8.084 7.687 1.00 0.00 H new ATOM 0 HG SER A 66 -14.951 -9.339 9.470 1.00 0.00 H new ATOM 949 N GLY A 67 -14.822 -11.247 5.253 1.00 0.00 N ATOM 950 CA GLY A 67 -15.986 -11.585 4.455 1.00 0.00 C ATOM 951 C GLY A 67 -15.698 -12.679 3.445 1.00 0.00 C ATOM 952 O GLY A 67 -14.953 -12.486 2.484 1.00 0.00 O ATOM 0 H GLY A 67 -14.147 -12.003 5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -16.793 -11.906 5.113 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -16.335 -10.695 3.932 1.00 0.00 H new ATOM 956 N PRO A 68 -16.297 -13.860 3.660 1.00 0.00 N ATOM 957 CA PRO A 68 -16.115 -15.013 2.772 1.00 0.00 C ATOM 958 C PRO A 68 -16.782 -14.810 1.416 1.00 0.00 C ATOM 959 O PRO A 68 -16.811 -15.719 0.586 1.00 0.00 O ATOM 960 CB PRO A 68 -16.789 -16.157 3.534 1.00 0.00 C ATOM 961 CG PRO A 68 -17.793 -15.489 4.409 1.00 0.00 C ATOM 962 CD PRO A 68 -17.197 -14.161 4.785 1.00 0.00 C ATOM 0 HA PRO A 68 -15.064 -15.193 2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.265 -16.861 2.851 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.065 -16.722 4.121 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -18.740 -15.357 3.886 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -17.999 -16.089 5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -17.964 -13.395 4.902 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -16.655 -14.217 5.729 1.00 0.00 H new ATOM 970 N SER A 69 -17.316 -13.613 1.197 1.00 0.00 N ATOM 971 CA SER A 69 -17.986 -13.293 -0.058 1.00 0.00 C ATOM 972 C SER A 69 -17.341 -14.038 -1.223 1.00 0.00 C ATOM 973 O SER A 69 -16.252 -13.684 -1.675 1.00 0.00 O ATOM 974 CB SER A 69 -17.941 -11.786 -0.315 1.00 0.00 C ATOM 975 OG SER A 69 -16.605 -11.314 -0.351 1.00 0.00 O ATOM 0 H SER A 69 -17.298 -12.849 1.872 1.00 0.00 H new ATOM 0 HA SER A 69 -19.026 -13.610 0.023 1.00 0.00 H new ATOM 0 HB2 SER A 69 -18.435 -11.560 -1.260 1.00 0.00 H new ATOM 0 HB3 SER A 69 -18.493 -11.264 0.466 1.00 0.00 H new ATOM 0 HG SER A 69 -16.040 -11.967 -0.814 1.00 0.00 H new ATOM 981 N SER A 70 -18.022 -15.073 -1.705 1.00 0.00 N ATOM 982 CA SER A 70 -17.516 -15.872 -2.815 1.00 0.00 C ATOM 983 C SER A 70 -18.406 -15.720 -4.044 1.00 0.00 C ATOM 984 O SER A 70 -19.377 -14.965 -4.032 1.00 0.00 O ATOM 985 CB SER A 70 -17.429 -17.346 -2.412 1.00 0.00 C ATOM 986 OG SER A 70 -18.710 -17.866 -2.102 1.00 0.00 O ATOM 0 H SER A 70 -18.926 -15.378 -1.344 1.00 0.00 H new ATOM 0 HA SER A 70 -16.518 -15.512 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 70 -16.986 -17.923 -3.224 1.00 0.00 H new ATOM 0 HB3 SER A 70 -16.771 -17.452 -1.549 1.00 0.00 H new ATOM 0 HG SER A 70 -18.628 -18.809 -1.849 1.00 0.00 H new ATOM 992 N GLY A 71 -18.067 -16.445 -5.106 1.00 0.00 N ATOM 993 CA GLY A 71 -18.844 -16.378 -6.329 1.00 0.00 C ATOM 994 C GLY A 71 -18.665 -15.061 -7.059 1.00 0.00 C ATOM 995 O GLY A 71 -18.981 -14.985 -8.245 1.00 0.00 O ATOM 0 H GLY A 71 -17.268 -17.078 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.552 -17.197 -6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -19.899 -16.519 -6.094 1.00 0.00 H new TER 999 GLY A 71 HETATM 1000 ZN ZN A 201 1.950 4.155 3.061 1.00 0.00 ZN HETATM 1001 ZN ZN A 401 -7.308 -2.953 -3.506 1.00 0.00 ZN