USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 479 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 Set 1.1: A 17 THR OG1 : rot -128:sc= -0.137 USER MOD Set 1.2: A 22 ASN :FLIP amide:sc= -2.53! C(o=-3.8!,f=-2.7!) 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.114 USER MOD Single : A 14 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0551 K(o=-0.055,f=-2.1) USER MOD Single : A 25 SER OG : rot 85:sc= 1.24 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -110:sc= -2.92 (180deg=-8.67!) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.136 F(o=-0.88,f=-0.14) USER MOD Single : A 36 GLN : amide:sc= -0.397 K(o=-0.4,f=-1.2) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -58:sc= 0.521 USER MOD Single : A 50 THR OG1 : rot 85:sc= 0.926 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0512) USER MOD Single : A 54 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 58 TYR OH : rot -124:sc= 0.812 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 89:sc= 0.619 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.074 20.245 4.784 1.00 0.00 N ATOM 2 CA GLY A 1 34.281 19.074 4.459 1.00 0.00 C ATOM 3 C GLY A 1 32.999 19.001 5.263 1.00 0.00 C ATOM 4 O GLY A 1 33.027 19.033 6.494 1.00 0.00 O ATOM 0 H1 GLY A 1 35.940 20.249 4.208 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.522 21.104 4.586 1.00 0.00 H new ATOM 0 H3 GLY A 1 35.329 20.223 5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 1 34.039 19.086 3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 1 34.872 18.177 4.641 1.00 0.00 H new ATOM 8 N SER A 2 31.870 18.903 4.568 1.00 0.00 N ATOM 9 CA SER A 2 30.571 18.831 5.225 1.00 0.00 C ATOM 10 C SER A 2 29.645 17.864 4.494 1.00 0.00 C ATOM 11 O SER A 2 29.718 17.719 3.274 1.00 0.00 O ATOM 12 CB SER A 2 29.929 20.219 5.288 1.00 0.00 C ATOM 13 OG SER A 2 30.329 20.912 6.458 1.00 0.00 O ATOM 0 H SER A 2 31.829 18.872 3.549 1.00 0.00 H new ATOM 0 HA SER A 2 30.725 18.463 6.239 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.211 20.794 4.406 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.843 20.122 5.272 1.00 0.00 H new ATOM 0 HG SER A 2 29.907 21.796 6.475 1.00 0.00 H new ATOM 19 N SER A 3 28.774 17.202 5.250 1.00 0.00 N ATOM 20 CA SER A 3 27.836 16.245 4.675 1.00 0.00 C ATOM 21 C SER A 3 26.503 16.280 5.416 1.00 0.00 C ATOM 22 O SER A 3 26.366 16.946 6.441 1.00 0.00 O ATOM 23 CB SER A 3 28.422 14.833 4.723 1.00 0.00 C ATOM 24 OG SER A 3 29.670 14.776 4.053 1.00 0.00 O ATOM 0 H SER A 3 28.699 17.311 6.261 1.00 0.00 H new ATOM 0 HA SER A 3 27.662 16.523 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.548 14.523 5.760 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.726 14.131 4.263 1.00 0.00 H new ATOM 0 HG SER A 3 30.025 13.864 4.099 1.00 0.00 H new ATOM 30 N GLY A 4 25.520 15.555 4.889 1.00 0.00 N ATOM 31 CA GLY A 4 24.210 15.516 5.512 1.00 0.00 C ATOM 32 C GLY A 4 23.305 16.631 5.029 1.00 0.00 C ATOM 33 O GLY A 4 23.744 17.769 4.864 1.00 0.00 O ATOM 0 H GLY A 4 25.608 14.994 4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.740 14.555 5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.323 15.587 6.594 1.00 0.00 H new ATOM 37 N SER A 5 22.037 16.304 4.800 1.00 0.00 N ATOM 38 CA SER A 5 21.068 17.286 4.328 1.00 0.00 C ATOM 39 C SER A 5 19.781 17.216 5.144 1.00 0.00 C ATOM 40 O SER A 5 19.163 16.158 5.259 1.00 0.00 O ATOM 41 CB SER A 5 20.759 17.057 2.847 1.00 0.00 C ATOM 42 OG SER A 5 21.939 17.119 2.064 1.00 0.00 O ATOM 0 H SER A 5 21.657 15.367 4.934 1.00 0.00 H new ATOM 0 HA SER A 5 21.503 18.278 4.453 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.284 16.085 2.718 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.049 17.808 2.500 1.00 0.00 H new ATOM 0 HG SER A 5 21.715 16.968 1.122 1.00 0.00 H new ATOM 48 N SER A 6 19.383 18.352 5.708 1.00 0.00 N ATOM 49 CA SER A 6 18.172 18.419 6.517 1.00 0.00 C ATOM 50 C SER A 6 16.931 18.190 5.659 1.00 0.00 C ATOM 51 O SER A 6 16.062 17.391 6.005 1.00 0.00 O ATOM 52 CB SER A 6 18.076 19.776 7.218 1.00 0.00 C ATOM 53 OG SER A 6 17.970 20.830 6.277 1.00 0.00 O ATOM 0 H SER A 6 19.881 19.238 5.620 1.00 0.00 H new ATOM 0 HA SER A 6 18.224 17.631 7.269 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.210 19.787 7.880 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.956 19.929 7.843 1.00 0.00 H new ATOM 0 HG SER A 6 17.908 21.686 6.750 1.00 0.00 H new ATOM 59 N GLY A 7 16.857 18.898 4.536 1.00 0.00 N ATOM 60 CA GLY A 7 15.720 18.758 3.645 1.00 0.00 C ATOM 61 C GLY A 7 14.531 19.586 4.088 1.00 0.00 C ATOM 62 O GLY A 7 14.666 20.480 4.922 1.00 0.00 O ATOM 0 H GLY A 7 17.564 19.566 4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.012 19.057 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.429 17.709 3.594 1.00 0.00 H new ATOM 66 N GLU A 8 13.363 19.289 3.527 1.00 0.00 N ATOM 67 CA GLU A 8 12.145 20.015 3.868 1.00 0.00 C ATOM 68 C GLU A 8 11.005 19.050 4.178 1.00 0.00 C ATOM 69 O GLU A 8 10.147 19.333 5.015 1.00 0.00 O ATOM 70 CB GLU A 8 11.743 20.947 2.723 1.00 0.00 C ATOM 71 CG GLU A 8 11.579 20.238 1.390 1.00 0.00 C ATOM 72 CD GLU A 8 12.904 19.986 0.696 1.00 0.00 C ATOM 73 OE1 GLU A 8 13.395 20.902 0.003 1.00 0.00 O ATOM 74 OE2 GLU A 8 13.451 18.874 0.848 1.00 0.00 O ATOM 0 H GLU A 8 13.234 18.551 2.835 1.00 0.00 H new ATOM 0 HA GLU A 8 12.345 20.611 4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.806 21.441 2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.497 21.728 2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.070 19.287 1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.941 20.837 0.740 1.00 0.00 H new ATOM 81 N PHE A 9 11.001 17.910 3.496 1.00 0.00 N ATOM 82 CA PHE A 9 9.966 16.903 3.697 1.00 0.00 C ATOM 83 C PHE A 9 9.665 16.719 5.181 1.00 0.00 C ATOM 84 O PHE A 9 10.448 16.113 5.913 1.00 0.00 O ATOM 85 CB PHE A 9 10.396 15.569 3.083 1.00 0.00 C ATOM 86 CG PHE A 9 10.623 15.636 1.600 1.00 0.00 C ATOM 87 CD1 PHE A 9 9.551 15.632 0.721 1.00 0.00 C ATOM 88 CD2 PHE A 9 11.907 15.704 1.084 1.00 0.00 C ATOM 89 CE1 PHE A 9 9.756 15.695 -0.644 1.00 0.00 C ATOM 90 CE2 PHE A 9 12.118 15.767 -0.280 1.00 0.00 C ATOM 91 CZ PHE A 9 11.041 15.761 -1.146 1.00 0.00 C ATOM 0 H PHE A 9 11.703 17.660 2.799 1.00 0.00 H new ATOM 0 HA PHE A 9 9.059 17.248 3.201 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.313 15.234 3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 9 9.633 14.819 3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.544 15.579 1.108 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.753 15.708 1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.912 15.693 -1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 9 13.124 15.821 -0.669 1.00 0.00 H new ATOM 0 HZ PHE A 9 11.204 15.808 -2.213 1.00 0.00 H new ATOM 101 N ALA A 10 8.527 17.247 5.619 1.00 0.00 N ATOM 102 CA ALA A 10 8.122 17.141 7.015 1.00 0.00 C ATOM 103 C ALA A 10 6.684 16.646 7.133 1.00 0.00 C ATOM 104 O ALA A 10 5.874 16.842 6.227 1.00 0.00 O ATOM 105 CB ALA A 10 8.280 18.483 7.714 1.00 0.00 C ATOM 0 H ALA A 10 7.869 17.753 5.026 1.00 0.00 H new ATOM 0 HA ALA A 10 8.770 16.412 7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.974 18.389 8.756 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.323 18.796 7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.656 19.227 7.218 1.00 0.00 H new ATOM 111 N ILE A 11 6.375 16.005 8.255 1.00 0.00 N ATOM 112 CA ILE A 11 5.034 15.483 8.491 1.00 0.00 C ATOM 113 C ILE A 11 4.330 16.258 9.600 1.00 0.00 C ATOM 114 O ILE A 11 4.633 16.084 10.781 1.00 0.00 O ATOM 115 CB ILE A 11 5.069 13.990 8.865 1.00 0.00 C ATOM 116 CG1 ILE A 11 5.721 13.176 7.746 1.00 0.00 C ATOM 117 CG2 ILE A 11 3.664 13.481 9.148 1.00 0.00 C ATOM 118 CD1 ILE A 11 6.224 11.822 8.196 1.00 0.00 C ATOM 0 H ILE A 11 7.034 15.835 9.015 1.00 0.00 H new ATOM 0 HA ILE A 11 4.480 15.602 7.560 1.00 0.00 H new ATOM 0 HB ILE A 11 5.666 13.872 9.769 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.999 13.037 6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.554 13.745 7.332 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.706 12.424 9.411 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.233 14.044 9.976 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.045 13.610 8.260 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.674 11.301 7.350 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.970 11.953 8.980 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.391 11.235 8.582 1.00 0.00 H new ATOM 130 N ASP A 12 3.389 17.111 9.212 1.00 0.00 N ATOM 131 CA ASP A 12 2.639 17.911 10.174 1.00 0.00 C ATOM 132 C ASP A 12 1.243 17.335 10.387 1.00 0.00 C ATOM 133 O ASP A 12 0.659 16.713 9.500 1.00 0.00 O ATOM 134 CB ASP A 12 2.540 19.360 9.697 1.00 0.00 C ATOM 135 CG ASP A 12 3.785 19.815 8.962 1.00 0.00 C ATOM 136 OD1 ASP A 12 4.890 19.366 9.334 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.656 20.620 8.015 1.00 0.00 O ATOM 0 H ASP A 12 3.127 17.267 8.239 1.00 0.00 H new ATOM 0 HA ASP A 12 3.172 17.886 11.125 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.676 19.465 9.041 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.370 20.011 10.555 1.00 0.00 H new ATOM 142 N PRO A 13 0.693 17.546 11.592 1.00 0.00 N ATOM 143 CA PRO A 13 -0.641 17.056 11.951 1.00 0.00 C ATOM 144 C PRO A 13 -1.749 17.795 11.208 1.00 0.00 C ATOM 145 O PRO A 13 -2.932 17.525 11.411 1.00 0.00 O ATOM 146 CB PRO A 13 -0.729 17.332 13.454 1.00 0.00 C ATOM 147 CG PRO A 13 0.213 18.463 13.687 1.00 0.00 C ATOM 148 CD PRO A 13 1.332 18.280 12.698 1.00 0.00 C ATOM 0 HA PRO A 13 -0.773 16.006 11.689 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.745 17.595 13.749 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.445 16.454 14.035 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.284 19.422 13.541 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.590 18.452 14.710 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.735 19.237 12.366 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.161 17.717 13.128 1.00 0.00 H new ATOM 156 N ASN A 14 -1.357 18.727 10.345 1.00 0.00 N ATOM 157 CA ASN A 14 -2.318 19.505 9.572 1.00 0.00 C ATOM 158 C ASN A 14 -2.384 19.010 8.130 1.00 0.00 C ATOM 159 O ASN A 14 -2.477 19.804 7.195 1.00 0.00 O ATOM 160 CB ASN A 14 -1.943 20.988 9.597 1.00 0.00 C ATOM 161 CG ASN A 14 -2.488 21.702 10.818 1.00 0.00 C ATOM 162 OD1 ASN A 14 -1.730 22.224 11.636 1.00 0.00 O ATOM 163 ND2 ASN A 14 -3.810 21.728 10.947 1.00 0.00 N ATOM 0 H ASN A 14 -0.381 18.962 10.164 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.300 19.378 10.027 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.858 21.086 9.577 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.323 21.471 8.697 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.235 22.194 11.749 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.400 21.282 10.244 1.00 0.00 H new ATOM 170 N GLU A 15 -2.336 17.692 7.960 1.00 0.00 N ATOM 171 CA GLU A 15 -2.390 17.092 6.633 1.00 0.00 C ATOM 172 C GLU A 15 -3.144 15.766 6.666 1.00 0.00 C ATOM 173 O GLU A 15 -3.021 14.975 7.601 1.00 0.00 O ATOM 174 CB GLU A 15 -0.976 16.873 6.089 1.00 0.00 C ATOM 175 CG GLU A 15 -0.431 18.062 5.316 1.00 0.00 C ATOM 176 CD GLU A 15 0.285 19.059 6.206 1.00 0.00 C ATOM 177 OE1 GLU A 15 1.135 18.630 7.014 1.00 0.00 O ATOM 178 OE2 GLU A 15 -0.005 20.268 6.095 1.00 0.00 O ATOM 0 H GLU A 15 -2.260 17.021 8.724 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.923 17.778 5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.306 16.653 6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.977 15.998 5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.257 17.707 4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.251 18.563 4.802 1.00 0.00 H new ATOM 185 N PRO A 16 -3.946 15.515 5.620 1.00 0.00 N ATOM 186 CA PRO A 16 -4.737 14.286 5.505 1.00 0.00 C ATOM 187 C PRO A 16 -3.867 13.058 5.257 1.00 0.00 C ATOM 188 O PRO A 16 -2.642 13.157 5.178 1.00 0.00 O ATOM 189 CB PRO A 16 -5.637 14.556 4.297 1.00 0.00 C ATOM 190 CG PRO A 16 -4.892 15.558 3.485 1.00 0.00 C ATOM 191 CD PRO A 16 -4.141 16.412 4.468 1.00 0.00 C ATOM 0 HA PRO A 16 -5.285 14.066 6.421 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.821 13.644 3.729 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.609 14.941 4.606 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.208 15.068 2.792 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.575 16.161 2.886 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.190 16.754 4.059 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.708 17.302 4.743 1.00 0.00 H new ATOM 199 N THR A 17 -4.507 11.900 5.135 1.00 0.00 N ATOM 200 CA THR A 17 -3.792 10.653 4.897 1.00 0.00 C ATOM 201 C THR A 17 -4.520 9.788 3.873 1.00 0.00 C ATOM 202 O THR A 17 -5.748 9.806 3.792 1.00 0.00 O ATOM 203 CB THR A 17 -3.617 9.848 6.199 1.00 0.00 C ATOM 204 OG1 THR A 17 -4.898 9.467 6.715 1.00 0.00 O ATOM 205 CG2 THR A 17 -2.866 10.663 7.241 1.00 0.00 C ATOM 0 H THR A 17 -5.520 11.800 5.197 1.00 0.00 H new ATOM 0 HA THR A 17 -2.809 10.922 4.509 1.00 0.00 H new ATOM 0 HB THR A 17 -3.037 8.953 5.973 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.965 9.734 7.655 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.754 10.075 8.152 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.881 10.927 6.856 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.424 11.573 7.463 1.00 0.00 H new ATOM 213 N TYR A 18 -3.754 9.033 3.093 1.00 0.00 N ATOM 214 CA TYR A 18 -4.326 8.163 2.073 1.00 0.00 C ATOM 215 C TYR A 18 -3.856 6.723 2.258 1.00 0.00 C ATOM 216 O TYR A 18 -4.620 5.857 2.684 1.00 0.00 O ATOM 217 CB TYR A 18 -3.946 8.660 0.677 1.00 0.00 C ATOM 218 CG TYR A 18 -4.429 10.062 0.381 1.00 0.00 C ATOM 219 CD1 TYR A 18 -5.693 10.285 -0.150 1.00 0.00 C ATOM 220 CD2 TYR A 18 -3.620 11.164 0.632 1.00 0.00 C ATOM 221 CE1 TYR A 18 -6.139 11.564 -0.422 1.00 0.00 C ATOM 222 CE2 TYR A 18 -4.058 12.446 0.364 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.317 12.641 -0.163 1.00 0.00 C ATOM 224 OH TYR A 18 -5.756 13.917 -0.433 1.00 0.00 O ATOM 0 H TYR A 18 -2.736 9.006 3.148 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.411 8.188 2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.862 8.629 0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.358 7.978 -0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.339 9.444 -0.354 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.633 11.015 1.043 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.125 11.720 -0.835 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.417 13.292 0.566 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.058 14.561 -0.192 1.00 0.00 H new ATOM 234 N CYS A 19 -2.591 6.475 1.935 1.00 0.00 N ATOM 235 CA CYS A 19 -2.015 5.142 2.065 1.00 0.00 C ATOM 236 C CYS A 19 -2.559 4.433 3.302 1.00 0.00 C ATOM 237 O CYS A 19 -2.988 5.076 4.262 1.00 0.00 O ATOM 238 CB CYS A 19 -0.489 5.228 2.142 1.00 0.00 C ATOM 239 SG CYS A 19 0.353 3.617 2.018 1.00 0.00 S ATOM 0 H CYS A 19 -1.945 7.180 1.581 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.295 4.565 1.184 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.131 5.876 1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.209 5.701 3.083 1.00 0.00 H new ATOM 244 N LEU A 20 -2.537 3.105 3.273 1.00 0.00 N ATOM 245 CA LEU A 20 -3.027 2.308 4.392 1.00 0.00 C ATOM 246 C LEU A 20 -2.302 2.676 5.683 1.00 0.00 C ATOM 247 O LEU A 20 -2.904 2.717 6.756 1.00 0.00 O ATOM 248 CB LEU A 20 -2.845 0.817 4.100 1.00 0.00 C ATOM 249 CG LEU A 20 -3.335 0.337 2.733 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.496 -0.835 2.247 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.806 -0.049 2.799 1.00 0.00 C ATOM 0 H LEU A 20 -2.185 2.558 2.487 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.088 2.521 4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.786 0.576 4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.367 0.250 4.871 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.226 1.155 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.859 -1.163 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.454 -0.526 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.573 -1.657 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.138 -0.388 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.939 -0.852 3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.396 0.816 3.102 1.00 0.00 H new ATOM 263 N CYS A 21 -1.006 2.946 5.571 1.00 0.00 N ATOM 264 CA CYS A 21 -0.198 3.313 6.727 1.00 0.00 C ATOM 265 C CYS A 21 -0.699 4.612 7.351 1.00 0.00 C ATOM 266 O CYS A 21 -0.333 4.955 8.474 1.00 0.00 O ATOM 267 CB CYS A 21 1.271 3.462 6.323 1.00 0.00 C ATOM 268 SG CYS A 21 1.577 4.783 5.107 1.00 0.00 S ATOM 0 H CYS A 21 -0.493 2.917 4.690 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.286 2.517 7.467 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.864 3.660 7.216 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.621 2.516 5.911 1.00 0.00 H new ATOM 273 N ASN A 22 -1.540 5.330 6.613 1.00 0.00 N ATOM 274 CA ASN A 22 -2.092 6.591 7.093 1.00 0.00 C ATOM 275 C ASN A 22 -1.043 7.698 7.045 1.00 0.00 C ATOM 276 O ASN A 22 -0.878 8.452 8.004 1.00 0.00 O ATOM 277 CB ASN A 22 -2.617 6.432 8.522 1.00 0.00 C ATOM 278 CG ASN A 22 -3.611 7.514 8.897 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.117 8.585 9.506 1.00 0.00 O flip ATOM 280 ND2 ASN A 22 -4.809 7.388 8.641 1.00 0.00 N flip ATOM 0 H ASN A 22 -1.854 5.060 5.681 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.918 6.869 6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.091 5.456 8.626 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.779 6.455 9.219 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.144 6.547 8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.466 8.125 8.899 1.00 0.00 H new ATOM 287 N GLN A 23 -0.338 7.788 5.922 1.00 0.00 N ATOM 288 CA GLN A 23 0.696 8.803 5.750 1.00 0.00 C ATOM 289 C GLN A 23 0.373 9.713 4.569 1.00 0.00 C ATOM 290 O GLN A 23 -0.616 9.507 3.866 1.00 0.00 O ATOM 291 CB GLN A 23 2.059 8.142 5.542 1.00 0.00 C ATOM 292 CG GLN A 23 2.667 7.586 6.819 1.00 0.00 C ATOM 293 CD GLN A 23 3.192 8.673 7.737 1.00 0.00 C ATOM 294 OE1 GLN A 23 3.462 9.792 7.301 1.00 0.00 O ATOM 295 NE2 GLN A 23 3.339 8.348 9.016 1.00 0.00 N ATOM 0 H GLN A 23 -0.463 7.172 5.119 1.00 0.00 H new ATOM 0 HA GLN A 23 0.729 9.410 6.655 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.955 7.334 4.817 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.745 8.871 5.110 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.916 6.999 7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.481 6.907 6.564 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.103 7.408 9.334 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.688 9.038 9.681 1.00 0.00 H new ATOM 304 N VAL A 24 1.214 10.720 4.358 1.00 0.00 N ATOM 305 CA VAL A 24 1.019 11.662 3.262 1.00 0.00 C ATOM 306 C VAL A 24 1.881 11.292 2.060 1.00 0.00 C ATOM 307 O VAL A 24 2.999 10.800 2.212 1.00 0.00 O ATOM 308 CB VAL A 24 1.352 13.103 3.694 1.00 0.00 C ATOM 309 CG1 VAL A 24 0.503 13.512 4.888 1.00 0.00 C ATOM 310 CG2 VAL A 24 2.834 13.234 4.013 1.00 0.00 C ATOM 0 H VAL A 24 2.037 10.905 4.931 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.033 11.608 2.982 1.00 0.00 H new ATOM 0 HB VAL A 24 1.121 13.775 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.752 14.532 5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.552 13.458 4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.700 12.839 5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.052 14.258 4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.093 12.553 4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.420 12.985 3.128 1.00 0.00 H new ATOM 320 N SER A 25 1.352 11.533 0.864 1.00 0.00 N ATOM 321 CA SER A 25 2.072 11.222 -0.366 1.00 0.00 C ATOM 322 C SER A 25 3.481 11.805 -0.333 1.00 0.00 C ATOM 323 O SER A 25 3.671 12.983 -0.027 1.00 0.00 O ATOM 324 CB SER A 25 1.311 11.764 -1.577 1.00 0.00 C ATOM 325 OG SER A 25 1.971 11.429 -2.786 1.00 0.00 O ATOM 0 H SER A 25 0.429 11.942 0.721 1.00 0.00 H new ATOM 0 HA SER A 25 2.149 10.138 -0.449 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.300 11.358 -1.587 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.219 12.847 -1.497 1.00 0.00 H new ATOM 0 HG SER A 25 1.703 10.529 -3.067 1.00 0.00 H new ATOM 331 N TYR A 26 4.466 10.973 -0.651 1.00 0.00 N ATOM 332 CA TYR A 26 5.859 11.404 -0.656 1.00 0.00 C ATOM 333 C TYR A 26 6.558 10.974 -1.942 1.00 0.00 C ATOM 334 O TYR A 26 7.415 11.685 -2.465 1.00 0.00 O ATOM 335 CB TYR A 26 6.597 10.830 0.555 1.00 0.00 C ATOM 336 CG TYR A 26 6.543 9.321 0.637 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.320 8.532 -0.203 1.00 0.00 C ATOM 338 CD2 TYR A 26 5.716 8.685 1.554 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.274 7.153 -0.132 1.00 0.00 C ATOM 340 CE2 TYR A 26 5.665 7.306 1.633 1.00 0.00 C ATOM 341 CZ TYR A 26 6.445 6.545 0.788 1.00 0.00 C ATOM 342 OH TYR A 26 6.396 5.172 0.863 1.00 0.00 O ATOM 0 H TYR A 26 4.326 9.996 -0.909 1.00 0.00 H new ATOM 0 HA TYR A 26 5.876 12.492 -0.601 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.639 11.147 0.518 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.168 11.251 1.464 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.971 9.005 -0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.103 9.278 2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.883 6.554 -0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.018 6.827 2.353 1.00 0.00 H new ATOM 0 HH TYR A 26 5.764 4.905 1.563 1.00 0.00 H new ATOM 352 N GLY A 27 6.183 9.802 -2.448 1.00 0.00 N ATOM 353 CA GLY A 27 6.782 9.296 -3.669 1.00 0.00 C ATOM 354 C GLY A 27 5.751 8.761 -4.643 1.00 0.00 C ATOM 355 O GLY A 27 4.627 9.259 -4.701 1.00 0.00 O ATOM 0 H GLY A 27 5.476 9.195 -2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.351 10.093 -4.148 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.489 8.504 -3.422 1.00 0.00 H new ATOM 359 N GLU A 28 6.134 7.746 -5.410 1.00 0.00 N ATOM 360 CA GLU A 28 5.234 7.145 -6.388 1.00 0.00 C ATOM 361 C GLU A 28 3.986 6.588 -5.708 1.00 0.00 C ATOM 362 O GLU A 28 4.078 5.855 -4.724 1.00 0.00 O ATOM 363 CB GLU A 28 5.949 6.032 -7.157 1.00 0.00 C ATOM 364 CG GLU A 28 6.659 6.517 -8.409 1.00 0.00 C ATOM 365 CD GLU A 28 5.767 6.483 -9.636 1.00 0.00 C ATOM 366 OE1 GLU A 28 5.436 5.371 -10.096 1.00 0.00 O ATOM 367 OE2 GLU A 28 5.402 7.568 -10.134 1.00 0.00 O ATOM 0 H GLU A 28 7.061 7.322 -5.374 1.00 0.00 H new ATOM 0 HA GLU A 28 4.929 7.922 -7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.676 5.556 -6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.222 5.269 -7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.013 7.536 -8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.538 5.898 -8.586 1.00 0.00 H new ATOM 374 N MET A 29 2.821 6.944 -6.240 1.00 0.00 N ATOM 375 CA MET A 29 1.555 6.479 -5.686 1.00 0.00 C ATOM 376 C MET A 29 0.627 5.984 -6.790 1.00 0.00 C ATOM 377 O MET A 29 0.695 6.452 -7.927 1.00 0.00 O ATOM 378 CB MET A 29 0.876 7.602 -4.898 1.00 0.00 C ATOM 379 CG MET A 29 1.456 7.805 -3.508 1.00 0.00 C ATOM 380 SD MET A 29 0.409 8.834 -2.462 1.00 0.00 S ATOM 381 CE MET A 29 -0.111 7.645 -1.228 1.00 0.00 C ATOM 0 H MET A 29 2.728 7.552 -7.053 1.00 0.00 H new ATOM 0 HA MET A 29 1.765 5.648 -5.013 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.963 8.533 -5.459 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.188 7.381 -4.810 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.597 6.835 -3.032 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.441 8.264 -3.593 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.171 7.425 -1.359 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.467 6.728 -1.340 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.054 8.058 -0.233 1.00 0.00 H new ATOM 391 N ILE A 30 -0.239 5.036 -6.449 1.00 0.00 N ATOM 392 CA ILE A 30 -1.180 4.479 -7.412 1.00 0.00 C ATOM 393 C ILE A 30 -2.621 4.763 -7.000 1.00 0.00 C ATOM 394 O ILE A 30 -2.912 4.965 -5.822 1.00 0.00 O ATOM 395 CB ILE A 30 -0.993 2.958 -7.567 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.501 2.230 -6.321 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.470 2.627 -7.821 1.00 0.00 C ATOM 398 CD1 ILE A 30 -0.683 2.513 -5.080 1.00 0.00 C ATOM 0 H ILE A 30 -0.308 4.638 -5.513 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.976 4.961 -8.368 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.575 2.621 -8.424 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.536 2.519 -6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.499 1.157 -6.511 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.586 1.548 -7.928 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.801 3.120 -8.735 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.073 2.975 -6.982 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.101 1.964 -4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.348 2.198 -5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.706 3.581 -4.865 1.00 0.00 H new ATOM 410 N GLY A 31 -3.519 4.775 -7.980 1.00 0.00 N ATOM 411 CA GLY A 31 -4.920 5.034 -7.699 1.00 0.00 C ATOM 412 C GLY A 31 -5.769 3.782 -7.788 1.00 0.00 C ATOM 413 O GLY A 31 -6.017 3.266 -8.878 1.00 0.00 O ATOM 0 H GLY A 31 -3.302 4.610 -8.963 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.014 5.463 -6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.297 5.776 -8.402 1.00 0.00 H new ATOM 417 N CYS A 32 -6.217 3.290 -6.637 1.00 0.00 N ATOM 418 CA CYS A 32 -7.043 2.089 -6.588 1.00 0.00 C ATOM 419 C CYS A 32 -8.093 2.105 -7.695 1.00 0.00 C ATOM 420 O CYS A 32 -9.010 2.926 -7.683 1.00 0.00 O ATOM 421 CB CYS A 32 -7.725 1.970 -5.224 1.00 0.00 C ATOM 422 SG CYS A 32 -8.900 0.584 -5.099 1.00 0.00 S ATOM 0 H CYS A 32 -6.022 3.705 -5.726 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.395 1.226 -6.739 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.960 1.854 -4.456 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.252 2.900 -5.011 1.00 0.00 H new ATOM 427 N ASP A 33 -7.951 1.193 -8.650 1.00 0.00 N ATOM 428 CA ASP A 33 -8.887 1.100 -9.764 1.00 0.00 C ATOM 429 C ASP A 33 -10.323 1.292 -9.284 1.00 0.00 C ATOM 430 O ASP A 33 -11.121 1.962 -9.938 1.00 0.00 O ATOM 431 CB ASP A 33 -8.747 -0.252 -10.464 1.00 0.00 C ATOM 432 CG ASP A 33 -9.929 -0.564 -11.362 1.00 0.00 C ATOM 433 OD1 ASP A 33 -11.045 -0.743 -10.832 1.00 0.00 O ATOM 434 OD2 ASP A 33 -9.736 -0.631 -12.594 1.00 0.00 O ATOM 0 H ASP A 33 -7.196 0.507 -8.675 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.650 1.893 -10.473 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.832 -0.258 -11.057 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.646 -1.037 -9.715 1.00 0.00 H new ATOM 439 N ASN A 34 -10.643 0.699 -8.139 1.00 0.00 N ATOM 440 CA ASN A 34 -11.983 0.804 -7.573 1.00 0.00 C ATOM 441 C ASN A 34 -12.314 2.252 -7.223 1.00 0.00 C ATOM 442 O ASN A 34 -11.907 2.755 -6.176 1.00 0.00 O ATOM 443 CB ASN A 34 -12.103 -0.074 -6.326 1.00 0.00 C ATOM 444 CG ASN A 34 -13.516 -0.108 -5.776 1.00 0.00 C ATOM 445 OD1 ASN A 34 -13.650 0.133 -4.476 1.00 0.00 O flip ATOM 446 ND2 ASN A 34 -14.474 -0.347 -6.510 1.00 0.00 N flip ATOM 0 H ASN A 34 -9.993 0.141 -7.585 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.695 0.458 -8.322 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.786 -1.088 -6.567 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.426 0.297 -5.557 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.324 -0.526 -7.503 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.419 -0.366 -6.126 1.00 0.00 H new ATOM 453 N GLU A 35 -13.055 2.914 -8.106 1.00 0.00 N ATOM 454 CA GLU A 35 -13.440 4.304 -7.889 1.00 0.00 C ATOM 455 C GLU A 35 -13.977 4.506 -6.475 1.00 0.00 C ATOM 456 O GLU A 35 -13.515 5.382 -5.745 1.00 0.00 O ATOM 457 CB GLU A 35 -14.496 4.729 -8.912 1.00 0.00 C ATOM 458 CG GLU A 35 -13.908 5.216 -10.226 1.00 0.00 C ATOM 459 CD GLU A 35 -14.866 6.100 -11.001 1.00 0.00 C ATOM 460 OE1 GLU A 35 -14.882 7.323 -10.749 1.00 0.00 O ATOM 461 OE2 GLU A 35 -15.599 5.568 -11.861 1.00 0.00 O ATOM 0 H GLU A 35 -13.400 2.511 -8.977 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.552 4.924 -8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.158 3.886 -9.110 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.109 5.521 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.990 5.769 -10.026 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.636 4.357 -10.839 1.00 0.00 H new ATOM 468 N GLN A 36 -14.954 3.688 -6.097 1.00 0.00 N ATOM 469 CA GLN A 36 -15.554 3.778 -4.771 1.00 0.00 C ATOM 470 C GLN A 36 -14.497 4.081 -3.714 1.00 0.00 C ATOM 471 O GLN A 36 -14.718 4.894 -2.815 1.00 0.00 O ATOM 472 CB GLN A 36 -16.278 2.475 -4.426 1.00 0.00 C ATOM 473 CG GLN A 36 -17.275 2.616 -3.288 1.00 0.00 C ATOM 474 CD GLN A 36 -18.449 3.506 -3.647 1.00 0.00 C ATOM 475 OE1 GLN A 36 -18.342 4.732 -3.629 1.00 0.00 O ATOM 476 NE2 GLN A 36 -19.579 2.891 -3.977 1.00 0.00 N ATOM 0 H GLN A 36 -15.347 2.956 -6.689 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.276 4.595 -4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.800 2.113 -5.312 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.540 1.719 -4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -17.644 1.629 -3.009 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -16.768 3.025 -2.414 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -19.623 1.872 -3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -20.402 3.438 -4.229 1.00 0.00 H new ATOM 485 N CYS A 37 -13.348 3.423 -3.828 1.00 0.00 N ATOM 486 CA CYS A 37 -12.257 3.621 -2.882 1.00 0.00 C ATOM 487 C CYS A 37 -12.087 5.101 -2.549 1.00 0.00 C ATOM 488 O CYS A 37 -11.691 5.910 -3.388 1.00 0.00 O ATOM 489 CB CYS A 37 -10.952 3.063 -3.454 1.00 0.00 C ATOM 490 SG CYS A 37 -9.794 2.439 -2.193 1.00 0.00 S ATOM 0 H CYS A 37 -13.149 2.748 -4.566 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.503 3.086 -1.965 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.188 2.255 -4.147 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.457 3.844 -4.031 1.00 0.00 H new ATOM 495 N PRO A 38 -12.393 5.463 -1.294 1.00 0.00 N ATOM 496 CA PRO A 38 -12.282 6.846 -0.821 1.00 0.00 C ATOM 497 C PRO A 38 -10.832 7.304 -0.704 1.00 0.00 C ATOM 498 O PRO A 38 -10.560 8.451 -0.348 1.00 0.00 O ATOM 499 CB PRO A 38 -12.942 6.802 0.560 1.00 0.00 C ATOM 500 CG PRO A 38 -12.794 5.388 1.005 1.00 0.00 C ATOM 501 CD PRO A 38 -12.871 4.551 -0.242 1.00 0.00 C ATOM 0 HA PRO A 38 -12.748 7.551 -1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.456 7.488 1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.991 7.093 0.507 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.844 5.238 1.518 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.582 5.115 1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.247 3.661 -0.168 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.888 4.212 -0.436 1.00 0.00 H new ATOM 509 N ILE A 39 -9.905 6.401 -1.006 1.00 0.00 N ATOM 510 CA ILE A 39 -8.483 6.713 -0.935 1.00 0.00 C ATOM 511 C ILE A 39 -7.875 6.826 -2.329 1.00 0.00 C ATOM 512 O ILE A 39 -7.291 7.849 -2.681 1.00 0.00 O ATOM 513 CB ILE A 39 -7.711 5.648 -0.135 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.239 5.573 1.299 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.221 5.957 -0.141 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.583 4.492 2.129 1.00 0.00 C ATOM 0 H ILE A 39 -10.113 5.447 -1.302 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.396 7.672 -0.424 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.863 4.678 -0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.085 6.536 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.314 5.397 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.689 5.195 0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.855 5.964 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.050 6.934 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.006 4.497 3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.759 3.521 1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.510 4.678 2.186 1.00 0.00 H new ATOM 528 N GLU A 40 -8.020 5.766 -3.119 1.00 0.00 N ATOM 529 CA GLU A 40 -7.486 5.746 -4.476 1.00 0.00 C ATOM 530 C GLU A 40 -6.105 6.395 -4.526 1.00 0.00 C ATOM 531 O GLU A 40 -5.773 7.098 -5.481 1.00 0.00 O ATOM 532 CB GLU A 40 -8.436 6.470 -5.432 1.00 0.00 C ATOM 533 CG GLU A 40 -9.504 5.567 -6.027 1.00 0.00 C ATOM 534 CD GLU A 40 -10.020 6.073 -7.360 1.00 0.00 C ATOM 535 OE1 GLU A 40 -9.259 6.021 -8.349 1.00 0.00 O ATOM 536 OE2 GLU A 40 -11.184 6.520 -7.414 1.00 0.00 O ATOM 0 H GLU A 40 -8.502 4.911 -2.843 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.392 4.706 -4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.920 7.289 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.856 6.914 -6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.096 4.565 -6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.336 5.485 -5.327 1.00 0.00 H new ATOM 543 N TRP A 41 -5.307 6.154 -3.493 1.00 0.00 N ATOM 544 CA TRP A 41 -3.963 6.714 -3.418 1.00 0.00 C ATOM 545 C TRP A 41 -3.128 5.989 -2.369 1.00 0.00 C ATOM 546 O TRP A 41 -3.393 6.090 -1.171 1.00 0.00 O ATOM 547 CB TRP A 41 -4.028 8.207 -3.093 1.00 0.00 C ATOM 548 CG TRP A 41 -4.616 9.031 -4.198 1.00 0.00 C ATOM 549 CD1 TRP A 41 -5.772 9.757 -4.153 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.077 9.211 -5.512 1.00 0.00 C ATOM 551 NE1 TRP A 41 -5.984 10.378 -5.361 1.00 0.00 N ATOM 552 CE2 TRP A 41 -4.959 10.060 -6.211 1.00 0.00 C ATOM 553 CE3 TRP A 41 -2.936 8.741 -6.166 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -4.733 10.444 -7.530 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -2.713 9.123 -7.476 1.00 0.00 C ATOM 556 CH2 TRP A 41 -3.607 9.968 -8.146 1.00 0.00 C ATOM 0 H TRP A 41 -5.567 5.574 -2.695 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.487 6.581 -4.389 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.620 8.349 -2.189 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.023 8.568 -2.876 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.423 9.832 -3.295 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.777 10.979 -5.587 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.240 8.090 -5.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.422 11.094 -8.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.835 8.764 -7.991 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.404 10.249 -9.169 1.00 0.00 H new ATOM 567 N PHE A 42 -2.117 5.257 -2.826 1.00 0.00 N ATOM 568 CA PHE A 42 -1.243 4.513 -1.926 1.00 0.00 C ATOM 569 C PHE A 42 0.183 4.469 -2.466 1.00 0.00 C ATOM 570 O PHE A 42 0.409 4.619 -3.667 1.00 0.00 O ATOM 571 CB PHE A 42 -1.771 3.090 -1.729 1.00 0.00 C ATOM 572 CG PHE A 42 -3.223 3.036 -1.351 1.00 0.00 C ATOM 573 CD1 PHE A 42 -4.208 3.250 -2.302 1.00 0.00 C ATOM 574 CD2 PHE A 42 -3.604 2.772 -0.045 1.00 0.00 C ATOM 575 CE1 PHE A 42 -5.546 3.201 -1.958 1.00 0.00 C ATOM 576 CE2 PHE A 42 -4.940 2.721 0.304 1.00 0.00 C ATOM 577 CZ PHE A 42 -5.912 2.937 -0.653 1.00 0.00 C ATOM 0 H PHE A 42 -1.883 5.163 -3.814 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.232 5.025 -0.964 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.622 2.525 -2.649 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.184 2.597 -0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.927 3.458 -3.324 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.848 2.604 0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.304 3.369 -2.709 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.224 2.512 1.325 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.957 2.899 -0.381 1.00 0.00 H new ATOM 587 N HIS A 43 1.143 4.262 -1.570 1.00 0.00 N ATOM 588 CA HIS A 43 2.548 4.198 -1.955 1.00 0.00 C ATOM 589 C HIS A 43 2.885 2.836 -2.556 1.00 0.00 C ATOM 590 O HIS A 43 2.106 1.888 -2.447 1.00 0.00 O ATOM 591 CB HIS A 43 3.443 4.471 -0.747 1.00 0.00 C ATOM 592 CG HIS A 43 3.042 5.684 0.034 1.00 0.00 C ATOM 593 ND1 HIS A 43 2.740 5.648 1.379 1.00 0.00 N ATOM 594 CD2 HIS A 43 2.894 6.974 -0.348 1.00 0.00 C ATOM 595 CE1 HIS A 43 2.423 6.862 1.790 1.00 0.00 C ATOM 596 NE2 HIS A 43 2.509 7.686 0.761 1.00 0.00 N ATOM 0 H HIS A 43 0.973 4.136 -0.572 1.00 0.00 H new ATOM 0 HA HIS A 43 2.727 4.963 -2.710 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.425 3.603 -0.088 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.471 4.592 -1.087 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.050 7.370 -1.341 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.141 7.135 2.796 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.320 8.688 0.786 1.00 0.00 H new ATOM 604 N PHE A 44 4.049 2.746 -3.190 1.00 0.00 N ATOM 605 CA PHE A 44 4.489 1.501 -3.809 1.00 0.00 C ATOM 606 C PHE A 44 5.121 0.573 -2.775 1.00 0.00 C ATOM 607 O PHE A 44 4.623 -0.524 -2.523 1.00 0.00 O ATOM 608 CB PHE A 44 5.487 1.789 -4.931 1.00 0.00 C ATOM 609 CG PHE A 44 4.848 2.325 -6.180 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.907 3.340 -6.111 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.188 1.815 -7.422 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.316 3.835 -7.259 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.601 2.306 -8.573 1.00 0.00 C ATOM 614 CZ PHE A 44 3.664 3.318 -8.491 1.00 0.00 C ATOM 0 H PHE A 44 4.705 3.521 -3.289 1.00 0.00 H new ATOM 0 HA PHE A 44 3.614 1.005 -4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.226 2.507 -4.574 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.024 0.872 -5.172 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.632 3.749 -5.150 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.920 1.024 -7.492 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.583 4.625 -7.192 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.874 1.899 -9.535 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.205 3.704 -9.389 1.00 0.00 H new ATOM 624 N SER A 45 6.222 1.022 -2.181 1.00 0.00 N ATOM 625 CA SER A 45 6.926 0.232 -1.179 1.00 0.00 C ATOM 626 C SER A 45 5.946 -0.382 -0.184 1.00 0.00 C ATOM 627 O SER A 45 6.090 -1.539 0.214 1.00 0.00 O ATOM 628 CB SER A 45 7.945 1.100 -0.438 1.00 0.00 C ATOM 629 OG SER A 45 8.563 0.377 0.613 1.00 0.00 O ATOM 0 H SER A 45 6.646 1.929 -2.377 1.00 0.00 H new ATOM 0 HA SER A 45 7.450 -0.575 -1.691 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.704 1.452 -1.137 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.450 1.983 -0.034 1.00 0.00 H new ATOM 0 HG SER A 45 9.211 0.953 1.070 1.00 0.00 H new ATOM 635 N CYS A 46 4.948 0.400 0.213 1.00 0.00 N ATOM 636 CA CYS A 46 3.943 -0.064 1.161 1.00 0.00 C ATOM 637 C CYS A 46 3.130 -1.214 0.573 1.00 0.00 C ATOM 638 O CYS A 46 2.955 -2.254 1.209 1.00 0.00 O ATOM 639 CB CYS A 46 3.011 1.085 1.552 1.00 0.00 C ATOM 640 SG CYS A 46 3.601 2.073 2.965 1.00 0.00 S ATOM 0 H CYS A 46 4.814 1.359 -0.108 1.00 0.00 H new ATOM 0 HA CYS A 46 4.459 -0.424 2.051 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.881 1.742 0.692 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.029 0.677 1.792 1.00 0.00 H new ATOM 645 N VAL A 47 2.636 -1.020 -0.645 1.00 0.00 N ATOM 646 CA VAL A 47 1.844 -2.041 -1.321 1.00 0.00 C ATOM 647 C VAL A 47 2.738 -3.046 -2.037 1.00 0.00 C ATOM 648 O VAL A 47 2.312 -3.706 -2.985 1.00 0.00 O ATOM 649 CB VAL A 47 0.874 -1.415 -2.340 1.00 0.00 C ATOM 650 CG1 VAL A 47 -0.089 -0.463 -1.647 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.646 -0.699 -3.439 1.00 0.00 C ATOM 0 H VAL A 47 2.770 -0.165 -1.184 1.00 0.00 H new ATOM 0 HA VAL A 47 1.268 -2.556 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 47 0.290 -2.214 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.766 -0.031 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.666 -1.009 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.474 0.333 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.945 -0.262 -4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.256 0.090 -3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.290 -1.411 -3.955 1.00 0.00 H new ATOM 661 N SER A 48 3.980 -3.159 -1.577 1.00 0.00 N ATOM 662 CA SER A 48 4.936 -4.082 -2.176 1.00 0.00 C ATOM 663 C SER A 48 4.971 -3.920 -3.692 1.00 0.00 C ATOM 664 O SER A 48 4.891 -4.899 -4.435 1.00 0.00 O ATOM 665 CB SER A 48 4.580 -5.525 -1.814 1.00 0.00 C ATOM 666 OG SER A 48 5.556 -6.429 -2.301 1.00 0.00 O ATOM 0 H SER A 48 4.347 -2.623 -0.791 1.00 0.00 H new ATOM 0 HA SER A 48 5.925 -3.849 -1.780 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.498 -5.622 -0.731 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.605 -5.778 -2.231 1.00 0.00 H new ATOM 0 HG SER A 48 5.635 -6.332 -3.273 1.00 0.00 H new ATOM 672 N LEU A 49 5.092 -2.677 -4.145 1.00 0.00 N ATOM 673 CA LEU A 49 5.138 -2.384 -5.574 1.00 0.00 C ATOM 674 C LEU A 49 6.484 -1.782 -5.963 1.00 0.00 C ATOM 675 O LEU A 49 7.090 -1.037 -5.192 1.00 0.00 O ATOM 676 CB LEU A 49 4.008 -1.425 -5.954 1.00 0.00 C ATOM 677 CG LEU A 49 2.694 -2.075 -6.388 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.596 -1.030 -6.508 1.00 0.00 C ATOM 679 CD2 LEU A 49 2.874 -2.815 -7.705 1.00 0.00 C ATOM 0 H LEU A 49 5.160 -1.856 -3.544 1.00 0.00 H new ATOM 0 HA LEU A 49 5.010 -3.321 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.806 -0.778 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.358 -0.785 -6.764 1.00 0.00 H new ATOM 0 HG LEU A 49 2.399 -2.797 -5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.668 -1.511 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.449 -0.545 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.883 -0.284 -7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.928 -3.271 -7.998 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.193 -2.113 -8.476 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.630 -3.591 -7.586 1.00 0.00 H new ATOM 691 N THR A 50 6.947 -2.108 -7.166 1.00 0.00 N ATOM 692 CA THR A 50 8.220 -1.599 -7.659 1.00 0.00 C ATOM 693 C THR A 50 8.012 -0.596 -8.788 1.00 0.00 C ATOM 694 O THR A 50 8.780 0.355 -8.936 1.00 0.00 O ATOM 695 CB THR A 50 9.125 -2.740 -8.161 1.00 0.00 C ATOM 696 OG1 THR A 50 8.404 -3.568 -9.081 1.00 0.00 O ATOM 697 CG2 THR A 50 9.629 -3.583 -7.000 1.00 0.00 C ATOM 0 H THR A 50 6.458 -2.723 -7.817 1.00 0.00 H new ATOM 0 HA THR A 50 8.707 -1.101 -6.820 1.00 0.00 H new ATOM 0 HB THR A 50 9.983 -2.297 -8.666 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.457 -3.181 -9.980 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.266 -4.382 -7.380 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.202 -2.956 -6.317 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.781 -4.016 -6.470 1.00 0.00 H new ATOM 705 N TYR A 51 6.969 -0.814 -9.581 1.00 0.00 N ATOM 706 CA TYR A 51 6.661 0.070 -10.698 1.00 0.00 C ATOM 707 C TYR A 51 5.169 0.046 -11.017 1.00 0.00 C ATOM 708 O TYR A 51 4.472 -0.921 -10.709 1.00 0.00 O ATOM 709 CB TYR A 51 7.465 -0.336 -11.935 1.00 0.00 C ATOM 710 CG TYR A 51 7.312 -1.794 -12.304 1.00 0.00 C ATOM 711 CD1 TYR A 51 6.106 -2.286 -12.788 1.00 0.00 C ATOM 712 CD2 TYR A 51 8.374 -2.680 -12.170 1.00 0.00 C ATOM 713 CE1 TYR A 51 5.962 -3.618 -13.126 1.00 0.00 C ATOM 714 CE2 TYR A 51 8.239 -4.013 -12.507 1.00 0.00 C ATOM 715 CZ TYR A 51 7.031 -4.477 -12.984 1.00 0.00 C ATOM 716 OH TYR A 51 6.892 -5.804 -13.321 1.00 0.00 O ATOM 0 H TYR A 51 6.323 -1.595 -9.471 1.00 0.00 H new ATOM 0 HA TYR A 51 6.937 1.085 -10.411 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.152 0.279 -12.779 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.519 -0.123 -11.759 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.267 -1.616 -12.902 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.321 -2.320 -11.796 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.017 -3.984 -13.499 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.075 -4.688 -12.398 1.00 0.00 H new ATOM 0 HH TYR A 51 7.738 -6.272 -13.163 1.00 0.00 H new ATOM 726 N LYS A 52 4.686 1.117 -11.638 1.00 0.00 N ATOM 727 CA LYS A 52 3.278 1.220 -12.002 1.00 0.00 C ATOM 728 C LYS A 52 2.812 -0.034 -12.735 1.00 0.00 C ATOM 729 O LYS A 52 3.232 -0.318 -13.856 1.00 0.00 O ATOM 730 CB LYS A 52 3.046 2.453 -12.879 1.00 0.00 C ATOM 731 CG LYS A 52 1.666 3.066 -12.713 1.00 0.00 C ATOM 732 CD LYS A 52 0.573 2.108 -13.157 1.00 0.00 C ATOM 733 CE LYS A 52 -0.808 2.631 -12.792 1.00 0.00 C ATOM 734 NZ LYS A 52 -1.099 3.934 -13.451 1.00 0.00 N ATOM 0 H LYS A 52 5.249 1.926 -11.900 1.00 0.00 H new ATOM 0 HA LYS A 52 2.698 1.320 -11.085 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.799 3.204 -12.642 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.189 2.178 -13.924 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.511 3.338 -11.669 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.603 3.986 -13.294 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.634 1.959 -14.235 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.729 1.135 -12.692 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.562 1.900 -13.084 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.878 2.747 -11.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.084 4.207 -13.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.459 4.663 -13.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.958 3.843 -14.477 1.00 0.00 H new ATOM 748 N PRO A 53 1.922 -0.801 -12.089 1.00 0.00 N ATOM 749 CA PRO A 53 1.378 -2.036 -12.662 1.00 0.00 C ATOM 750 C PRO A 53 0.442 -1.767 -13.836 1.00 0.00 C ATOM 751 O PRO A 53 -0.509 -0.994 -13.720 1.00 0.00 O ATOM 752 CB PRO A 53 0.607 -2.660 -11.496 1.00 0.00 C ATOM 753 CG PRO A 53 0.249 -1.509 -10.620 1.00 0.00 C ATOM 754 CD PRO A 53 1.377 -0.523 -10.750 1.00 0.00 C ATOM 0 HA PRO A 53 2.162 -2.678 -13.064 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.283 -3.184 -11.845 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.217 -3.389 -10.963 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.697 -1.063 -10.929 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.128 -1.829 -9.585 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.024 0.505 -10.666 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.128 -0.667 -9.973 1.00 0.00 H new ATOM 762 N LYS A 54 0.717 -2.410 -14.965 1.00 0.00 N ATOM 763 CA LYS A 54 -0.101 -2.243 -16.161 1.00 0.00 C ATOM 764 C LYS A 54 -1.554 -2.616 -15.882 1.00 0.00 C ATOM 765 O LYS A 54 -1.866 -3.207 -14.849 1.00 0.00 O ATOM 766 CB LYS A 54 0.447 -3.100 -17.303 1.00 0.00 C ATOM 767 CG LYS A 54 1.673 -2.506 -17.975 1.00 0.00 C ATOM 768 CD LYS A 54 2.956 -2.983 -17.316 1.00 0.00 C ATOM 769 CE LYS A 54 4.171 -2.256 -17.871 1.00 0.00 C ATOM 770 NZ LYS A 54 4.446 -0.991 -17.136 1.00 0.00 N ATOM 0 H LYS A 54 1.501 -3.053 -15.078 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.063 -1.194 -16.453 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.698 -4.088 -16.917 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.335 -3.239 -18.050 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.680 -2.782 -19.030 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.622 -1.418 -17.930 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.895 -2.823 -16.240 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.070 -4.056 -17.472 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.043 -2.908 -17.810 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.011 -2.035 -18.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.282 -0.526 -17.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.625 -0.358 -17.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.624 -1.204 -16.134 1.00 0.00 H new ATOM 784 N GLY A 55 -2.438 -2.270 -16.813 1.00 0.00 N ATOM 785 CA GLY A 55 -3.847 -2.578 -16.649 1.00 0.00 C ATOM 786 C GLY A 55 -4.465 -1.858 -15.467 1.00 0.00 C ATOM 787 O GLY A 55 -4.299 -0.648 -15.312 1.00 0.00 O ATOM 0 H GLY A 55 -2.204 -1.782 -17.678 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.383 -2.305 -17.558 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.968 -3.653 -16.519 1.00 0.00 H new ATOM 791 N LYS A 56 -5.181 -2.602 -14.631 1.00 0.00 N ATOM 792 CA LYS A 56 -5.827 -2.028 -13.457 1.00 0.00 C ATOM 793 C LYS A 56 -5.166 -2.525 -12.175 1.00 0.00 C ATOM 794 O LYS A 56 -4.651 -3.642 -12.124 1.00 0.00 O ATOM 795 CB LYS A 56 -7.316 -2.380 -13.445 1.00 0.00 C ATOM 796 CG LYS A 56 -8.049 -1.962 -14.708 1.00 0.00 C ATOM 797 CD LYS A 56 -8.010 -3.054 -15.763 1.00 0.00 C ATOM 798 CE LYS A 56 -8.966 -2.757 -16.909 1.00 0.00 C ATOM 799 NZ LYS A 56 -8.799 -3.718 -18.034 1.00 0.00 N ATOM 0 H LYS A 56 -5.329 -3.605 -14.745 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.717 -0.945 -13.506 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.425 -3.456 -13.310 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.787 -1.902 -12.586 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.085 -1.725 -14.467 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.599 -1.053 -15.107 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.996 -3.151 -16.150 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.271 -4.010 -15.309 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.993 -2.798 -16.545 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.796 -1.743 -17.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.468 -3.482 -18.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.827 -3.661 -18.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.986 -4.684 -17.696 1.00 0.00 H new ATOM 813 N TRP A 57 -5.186 -1.690 -11.143 1.00 0.00 N ATOM 814 CA TRP A 57 -4.590 -2.047 -9.860 1.00 0.00 C ATOM 815 C TRP A 57 -5.561 -1.780 -8.715 1.00 0.00 C ATOM 816 O TRP A 57 -5.832 -0.629 -8.374 1.00 0.00 O ATOM 817 CB TRP A 57 -3.295 -1.262 -9.640 1.00 0.00 C ATOM 818 CG TRP A 57 -2.619 -1.583 -8.342 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.696 -2.565 -8.119 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.814 -0.921 -7.087 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.306 -2.553 -6.802 1.00 0.00 N ATOM 822 CE2 TRP A 57 -1.977 -1.554 -6.148 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.613 0.145 -6.666 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -1.919 -1.155 -4.815 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.555 0.539 -5.344 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.712 -0.109 -4.431 1.00 0.00 C ATOM 0 H TRP A 57 -5.608 -0.762 -11.169 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.363 -3.113 -9.877 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.608 -1.471 -10.460 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.515 -0.195 -9.672 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.327 -3.250 -8.868 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.627 -3.186 -6.379 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.265 0.652 -7.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.271 -1.654 -4.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.170 1.361 -5.008 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.688 0.224 -3.404 1.00 0.00 H new ATOM 837 N TYR A 58 -6.082 -2.850 -8.126 1.00 0.00 N ATOM 838 CA TYR A 58 -7.025 -2.731 -7.020 1.00 0.00 C ATOM 839 C TYR A 58 -6.308 -2.843 -5.678 1.00 0.00 C ATOM 840 O TYR A 58 -5.635 -3.836 -5.401 1.00 0.00 O ATOM 841 CB TYR A 58 -8.105 -3.809 -7.126 1.00 0.00 C ATOM 842 CG TYR A 58 -9.020 -3.635 -8.318 1.00 0.00 C ATOM 843 CD1 TYR A 58 -8.600 -3.982 -9.596 1.00 0.00 C ATOM 844 CD2 TYR A 58 -10.302 -3.124 -8.165 1.00 0.00 C ATOM 845 CE1 TYR A 58 -9.431 -3.824 -10.688 1.00 0.00 C ATOM 846 CE2 TYR A 58 -11.141 -2.965 -9.251 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.701 -3.316 -10.511 1.00 0.00 C ATOM 848 OH TYR A 58 -11.533 -3.157 -11.595 1.00 0.00 O ATOM 0 H TYR A 58 -5.867 -3.810 -8.396 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.494 -1.749 -7.079 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.626 -4.786 -7.186 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.704 -3.802 -6.215 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.607 -4.382 -9.738 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.649 -2.846 -7.181 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.088 -4.097 -11.675 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.136 -2.568 -9.115 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.830 -2.224 -11.646 1.00 0.00 H new ATOM 858 N CYS A 59 -6.459 -1.817 -4.847 1.00 0.00 N ATOM 859 CA CYS A 59 -5.828 -1.797 -3.533 1.00 0.00 C ATOM 860 C CYS A 59 -6.090 -3.101 -2.784 1.00 0.00 C ATOM 861 O CYS A 59 -7.057 -3.815 -3.051 1.00 0.00 O ATOM 862 CB CYS A 59 -6.344 -0.613 -2.714 1.00 0.00 C ATOM 863 SG CYS A 59 -7.846 -0.974 -1.749 1.00 0.00 S ATOM 0 H CYS A 59 -7.013 -0.988 -5.061 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.753 -1.690 -3.676 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.558 -0.286 -2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.549 0.219 -3.388 1.00 0.00 H new ATOM 868 N PRO A 60 -5.210 -3.419 -1.824 1.00 0.00 N ATOM 869 CA PRO A 60 -5.325 -4.636 -1.015 1.00 0.00 C ATOM 870 C PRO A 60 -6.506 -4.583 -0.052 1.00 0.00 C ATOM 871 O PRO A 60 -6.931 -5.607 0.483 1.00 0.00 O ATOM 872 CB PRO A 60 -4.005 -4.675 -0.242 1.00 0.00 C ATOM 873 CG PRO A 60 -3.563 -3.254 -0.175 1.00 0.00 C ATOM 874 CD PRO A 60 -4.034 -2.613 -1.452 1.00 0.00 C ATOM 0 HA PRO A 60 -5.500 -5.519 -1.630 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.142 -5.094 0.755 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.267 -5.296 -0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.990 -2.753 0.694 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.479 -3.186 -0.081 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.295 -1.565 -1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.265 -2.643 -2.224 1.00 0.00 H new ATOM 882 N LYS A 61 -7.033 -3.382 0.165 1.00 0.00 N ATOM 883 CA LYS A 61 -8.166 -3.195 1.062 1.00 0.00 C ATOM 884 C LYS A 61 -9.467 -3.631 0.395 1.00 0.00 C ATOM 885 O LYS A 61 -10.422 -4.020 1.068 1.00 0.00 O ATOM 886 CB LYS A 61 -8.267 -1.729 1.491 1.00 0.00 C ATOM 887 CG LYS A 61 -8.751 -1.544 2.918 1.00 0.00 C ATOM 888 CD LYS A 61 -9.552 -0.262 3.074 1.00 0.00 C ATOM 889 CE LYS A 61 -8.660 0.909 3.457 1.00 0.00 C ATOM 890 NZ LYS A 61 -9.414 1.962 4.193 1.00 0.00 N ATOM 0 H LYS A 61 -6.693 -2.524 -0.269 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.005 -3.815 1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.289 -1.260 1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.946 -1.208 0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.366 -2.396 3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.896 -1.524 3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.068 -0.038 2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.319 -0.401 3.836 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.837 0.552 4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.219 1.339 2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.772 2.743 4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.184 2.321 3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.814 1.558 5.064 1.00 0.00 H new ATOM 904 N CYS A 62 -9.497 -3.565 -0.932 1.00 0.00 N ATOM 905 CA CYS A 62 -10.680 -3.953 -1.691 1.00 0.00 C ATOM 906 C CYS A 62 -10.568 -5.398 -2.168 1.00 0.00 C ATOM 907 O CYS A 62 -11.468 -6.208 -1.943 1.00 0.00 O ATOM 908 CB CYS A 62 -10.871 -3.022 -2.889 1.00 0.00 C ATOM 909 SG CYS A 62 -11.223 -1.292 -2.437 1.00 0.00 S ATOM 0 H CYS A 62 -8.715 -3.246 -1.504 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.546 -3.871 -1.035 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.972 -3.050 -3.504 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.689 -3.400 -3.503 1.00 0.00 H new ATOM 914 N ARG A 63 -9.459 -5.714 -2.829 1.00 0.00 N ATOM 915 CA ARG A 63 -9.231 -7.060 -3.339 1.00 0.00 C ATOM 916 C ARG A 63 -9.334 -8.091 -2.219 1.00 0.00 C ATOM 917 O ARG A 63 -9.769 -9.220 -2.439 1.00 0.00 O ATOM 918 CB ARG A 63 -7.856 -7.150 -4.004 1.00 0.00 C ATOM 919 CG ARG A 63 -6.703 -7.193 -3.015 1.00 0.00 C ATOM 920 CD ARG A 63 -6.346 -8.622 -2.638 1.00 0.00 C ATOM 921 NE ARG A 63 -5.934 -9.408 -3.798 1.00 0.00 N ATOM 922 CZ ARG A 63 -5.795 -10.729 -3.779 1.00 0.00 C ATOM 923 NH1 ARG A 63 -6.035 -11.408 -2.665 1.00 0.00 N ATOM 924 NH2 ARG A 63 -5.416 -11.374 -4.875 1.00 0.00 N ATOM 0 H ARG A 63 -8.705 -5.056 -3.024 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.001 -7.276 -4.080 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.821 -8.043 -4.628 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.725 -6.293 -4.665 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.832 -6.701 -3.448 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.971 -6.635 -2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.542 -8.613 -1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.205 -9.097 -2.165 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.742 -8.916 -4.671 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.327 -10.916 -1.821 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.928 -12.422 -2.653 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.231 -10.855 -5.734 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.310 -12.388 -4.859 1.00 0.00 H new ATOM 938 N GLY A 64 -8.931 -7.693 -1.016 1.00 0.00 N ATOM 939 CA GLY A 64 -8.985 -8.594 0.120 1.00 0.00 C ATOM 940 C GLY A 64 -10.351 -9.229 0.292 1.00 0.00 C ATOM 941 O GLY A 64 -11.326 -8.794 -0.322 1.00 0.00 O ATOM 0 H GLY A 64 -8.568 -6.763 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.237 -9.377 -0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.725 -8.047 1.026 1.00 0.00 H new ATOM 945 N ASP A 65 -10.421 -10.260 1.126 1.00 0.00 N ATOM 946 CA ASP A 65 -11.678 -10.956 1.376 1.00 0.00 C ATOM 947 C ASP A 65 -12.104 -10.803 2.833 1.00 0.00 C ATOM 948 O ASP A 65 -12.582 -11.752 3.454 1.00 0.00 O ATOM 949 CB ASP A 65 -11.543 -12.439 1.025 1.00 0.00 C ATOM 950 CG ASP A 65 -10.189 -13.004 1.409 1.00 0.00 C ATOM 951 OD1 ASP A 65 -9.775 -12.814 2.572 1.00 0.00 O ATOM 952 OD2 ASP A 65 -9.545 -13.636 0.547 1.00 0.00 O ATOM 0 H ASP A 65 -9.623 -10.632 1.640 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.444 -10.508 0.743 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.326 -13.002 1.533 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.698 -12.572 -0.046 1.00 0.00 H new ATOM 957 N SER A 66 -11.925 -9.601 3.373 1.00 0.00 N ATOM 958 CA SER A 66 -12.286 -9.325 4.759 1.00 0.00 C ATOM 959 C SER A 66 -13.799 -9.377 4.947 1.00 0.00 C ATOM 960 O SER A 66 -14.301 -10.038 5.855 1.00 0.00 O ATOM 961 CB SER A 66 -11.755 -7.954 5.182 1.00 0.00 C ATOM 962 OG SER A 66 -12.346 -7.532 6.399 1.00 0.00 O ATOM 0 H SER A 66 -11.533 -8.804 2.872 1.00 0.00 H new ATOM 0 HA SER A 66 -11.833 -10.092 5.387 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.672 -7.999 5.296 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.963 -7.223 4.400 1.00 0.00 H new ATOM 0 HG SER A 66 -11.989 -6.654 6.649 1.00 0.00 H new ATOM 968 N GLY A 67 -14.522 -8.675 4.079 1.00 0.00 N ATOM 969 CA GLY A 67 -15.970 -8.654 4.166 1.00 0.00 C ATOM 970 C GLY A 67 -16.580 -7.499 3.397 1.00 0.00 C ATOM 971 O GLY A 67 -17.201 -6.602 3.969 1.00 0.00 O ATOM 0 H GLY A 67 -14.130 -8.121 3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -16.368 -9.593 3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -16.267 -8.587 5.213 1.00 0.00 H new ATOM 975 N PRO A 68 -16.405 -7.510 2.067 1.00 0.00 N ATOM 976 CA PRO A 68 -16.934 -6.462 1.190 1.00 0.00 C ATOM 977 C PRO A 68 -18.455 -6.505 1.087 1.00 0.00 C ATOM 978 O PRO A 68 -19.064 -5.688 0.397 1.00 0.00 O ATOM 979 CB PRO A 68 -16.298 -6.779 -0.166 1.00 0.00 C ATOM 980 CG PRO A 68 -16.009 -8.240 -0.116 1.00 0.00 C ATOM 981 CD PRO A 68 -15.676 -8.547 1.317 1.00 0.00 C ATOM 0 HA PRO A 68 -16.702 -5.464 1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.973 -6.537 -0.986 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -15.387 -6.200 -0.321 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.870 -8.820 -0.449 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.178 -8.496 -0.773 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -16.000 -9.549 1.599 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.603 -8.495 1.500 1.00 0.00 H new ATOM 989 N SER A 69 -19.063 -7.463 1.779 1.00 0.00 N ATOM 990 CA SER A 69 -20.514 -7.614 1.764 1.00 0.00 C ATOM 991 C SER A 69 -21.110 -7.272 3.126 1.00 0.00 C ATOM 992 O SER A 69 -21.987 -7.977 3.626 1.00 0.00 O ATOM 993 CB SER A 69 -20.894 -9.043 1.372 1.00 0.00 C ATOM 994 OG SER A 69 -20.224 -9.991 2.185 1.00 0.00 O ATOM 0 H SER A 69 -18.574 -8.146 2.357 1.00 0.00 H new ATOM 0 HA SER A 69 -20.920 -6.922 1.026 1.00 0.00 H new ATOM 0 HB2 SER A 69 -21.972 -9.175 1.467 1.00 0.00 H new ATOM 0 HB3 SER A 69 -20.643 -9.215 0.325 1.00 0.00 H new ATOM 0 HG SER A 69 -20.485 -10.896 1.915 1.00 0.00 H new ATOM 1000 N SER A 70 -20.628 -6.186 3.720 1.00 0.00 N ATOM 1001 CA SER A 70 -21.110 -5.751 5.026 1.00 0.00 C ATOM 1002 C SER A 70 -21.901 -4.452 4.908 1.00 0.00 C ATOM 1003 O SER A 70 -22.985 -4.318 5.474 1.00 0.00 O ATOM 1004 CB SER A 70 -19.936 -5.562 5.989 1.00 0.00 C ATOM 1005 OG SER A 70 -19.191 -6.759 6.127 1.00 0.00 O ATOM 0 H SER A 70 -19.904 -5.591 3.318 1.00 0.00 H new ATOM 0 HA SER A 70 -21.771 -6.524 5.418 1.00 0.00 H new ATOM 0 HB2 SER A 70 -19.287 -4.766 5.624 1.00 0.00 H new ATOM 0 HB3 SER A 70 -20.308 -5.248 6.964 1.00 0.00 H new ATOM 0 HG SER A 70 -18.496 -6.793 5.437 1.00 0.00 H new ATOM 1011 N GLY A 71 -21.349 -3.495 4.168 1.00 0.00 N ATOM 1012 CA GLY A 71 -22.015 -2.218 3.989 1.00 0.00 C ATOM 1013 C GLY A 71 -22.166 -1.844 2.528 1.00 0.00 C ATOM 1014 O GLY A 71 -22.960 -0.957 2.216 1.00 0.00 O ATOM 0 H GLY A 71 -20.452 -3.581 3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -23.000 -2.257 4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -21.449 -1.441 4.503 1.00 0.00 H new TER 1018 GLY A 71 HETATM 1019 ZN ZN A 201 2.402 4.064 3.053 1.00 0.00 ZN HETATM 1020 ZN ZN A 401 -9.503 0.211 -2.880 1.00 0.00 ZN