USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=21 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 Set 1.1: A 29 MET CE :methyl 138:sc= -2.15 (180deg=-1.58) USER MOD Set 1.2: A 43 HIS :FLIP no HD1:sc= -1.58 F(o=-6.6,f=-3.7) USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 22 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.14) 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 USER MOD Single : A 14 ASN : amide:sc= -0.0375 X(o=-0.038,f=-0.071) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0481 K(o=-0.048,f=-1.4!) USER MOD Single : A 25 SER OG : rot 74:sc= 0.399 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.0815 K(o=-0.081,f=-0.85) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= -0.145 (180deg=-0.373) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -116:sc= -1.54! (180deg=-5.29!) USER MOD Single : A 66 SER OG : rot 27:sc= 0.492 USER MOD Single : A 69 SER OG : rot -53:sc= 0.891 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.965 21.610 -2.921 1.00 0.00 N ATOM 2 CA GLY A 1 25.616 22.099 -2.705 1.00 0.00 C ATOM 3 C GLY A 1 25.416 23.504 -3.236 1.00 0.00 C ATOM 4 O GLY A 1 26.278 24.367 -3.067 1.00 0.00 O ATOM 0 H1 GLY A 1 27.050 20.646 -2.540 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.171 21.599 -3.940 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.642 22.234 -2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.908 21.427 -3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.393 22.082 -1.638 1.00 0.00 H new ATOM 8 N SER A 2 24.278 23.735 -3.882 1.00 0.00 N ATOM 9 CA SER A 2 23.970 25.045 -4.445 1.00 0.00 C ATOM 10 C SER A 2 23.284 25.933 -3.411 1.00 0.00 C ATOM 11 O SER A 2 23.698 27.069 -3.181 1.00 0.00 O ATOM 12 CB SER A 2 23.077 24.896 -5.678 1.00 0.00 C ATOM 13 OG SER A 2 22.514 26.141 -6.054 1.00 0.00 O ATOM 0 H SER A 2 23.554 23.032 -4.029 1.00 0.00 H new ATOM 0 HA SER A 2 24.908 25.517 -4.739 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.660 24.492 -6.506 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.281 24.181 -5.470 1.00 0.00 H new ATOM 0 HG SER A 2 21.949 26.019 -6.845 1.00 0.00 H new ATOM 19 N SER A 3 22.234 25.406 -2.791 1.00 0.00 N ATOM 20 CA SER A 3 21.487 26.151 -1.784 1.00 0.00 C ATOM 21 C SER A 3 20.838 25.205 -0.778 1.00 0.00 C ATOM 22 O SER A 3 20.303 24.160 -1.148 1.00 0.00 O ATOM 23 CB SER A 3 20.417 27.018 -2.450 1.00 0.00 C ATOM 24 OG SER A 3 19.511 26.225 -3.198 1.00 0.00 O ATOM 0 H SER A 3 21.881 24.466 -2.968 1.00 0.00 H new ATOM 0 HA SER A 3 22.187 26.795 -1.251 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.873 27.578 -1.689 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.892 27.749 -3.105 1.00 0.00 H new ATOM 0 HG SER A 3 18.836 26.802 -3.612 1.00 0.00 H new ATOM 30 N GLY A 4 20.890 25.579 0.496 1.00 0.00 N ATOM 31 CA GLY A 4 20.304 24.754 1.536 1.00 0.00 C ATOM 32 C GLY A 4 20.465 25.360 2.917 1.00 0.00 C ATOM 33 O GLY A 4 21.340 26.197 3.136 1.00 0.00 O ATOM 0 H GLY A 4 21.328 26.439 0.827 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.244 24.610 1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.769 23.768 1.519 1.00 0.00 H new ATOM 37 N SER A 5 19.617 24.937 3.849 1.00 0.00 N ATOM 38 CA SER A 5 19.666 25.448 5.214 1.00 0.00 C ATOM 39 C SER A 5 19.239 24.375 6.211 1.00 0.00 C ATOM 40 O SER A 5 18.711 23.331 5.828 1.00 0.00 O ATOM 41 CB SER A 5 18.766 26.677 5.354 1.00 0.00 C ATOM 42 OG SER A 5 19.263 27.564 6.341 1.00 0.00 O ATOM 0 H SER A 5 18.888 24.242 3.684 1.00 0.00 H new ATOM 0 HA SER A 5 20.695 25.734 5.432 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.700 27.194 4.397 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.756 26.364 5.618 1.00 0.00 H new ATOM 0 HG SER A 5 18.671 28.342 6.410 1.00 0.00 H new ATOM 48 N SER A 6 19.472 24.640 7.493 1.00 0.00 N ATOM 49 CA SER A 6 19.115 23.697 8.546 1.00 0.00 C ATOM 50 C SER A 6 17.722 23.121 8.311 1.00 0.00 C ATOM 51 O SER A 6 16.720 23.827 8.419 1.00 0.00 O ATOM 52 CB SER A 6 19.173 24.380 9.913 1.00 0.00 C ATOM 53 OG SER A 6 20.512 24.647 10.294 1.00 0.00 O ATOM 0 H SER A 6 19.907 25.500 7.827 1.00 0.00 H new ATOM 0 HA SER A 6 19.835 22.879 8.526 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.608 25.312 9.882 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.699 23.744 10.661 1.00 0.00 H new ATOM 0 HG SER A 6 20.522 25.085 11.170 1.00 0.00 H new ATOM 59 N GLY A 7 17.667 21.832 7.989 1.00 0.00 N ATOM 60 CA GLY A 7 16.393 21.182 7.743 1.00 0.00 C ATOM 61 C GLY A 7 16.067 20.133 8.787 1.00 0.00 C ATOM 62 O GLY A 7 16.936 19.362 9.193 1.00 0.00 O ATOM 0 H GLY A 7 18.482 21.226 7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.603 21.932 7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.410 20.716 6.758 1.00 0.00 H new ATOM 66 N GLU A 8 14.811 20.104 9.223 1.00 0.00 N ATOM 67 CA GLU A 8 14.374 19.142 10.228 1.00 0.00 C ATOM 68 C GLU A 8 13.340 18.182 9.649 1.00 0.00 C ATOM 69 O GLU A 8 12.724 18.462 8.620 1.00 0.00 O ATOM 70 CB GLU A 8 13.789 19.869 11.441 1.00 0.00 C ATOM 71 CG GLU A 8 12.678 20.843 11.089 1.00 0.00 C ATOM 72 CD GLU A 8 12.275 21.717 12.261 1.00 0.00 C ATOM 73 OE1 GLU A 8 11.472 21.254 13.098 1.00 0.00 O ATOM 74 OE2 GLU A 8 12.763 22.863 12.341 1.00 0.00 O ATOM 0 H GLU A 8 14.079 20.735 8.896 1.00 0.00 H new ATOM 0 HA GLU A 8 15.243 18.565 10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.404 19.131 12.145 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.587 20.410 11.950 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.003 21.476 10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.808 20.286 10.740 1.00 0.00 H new ATOM 81 N PHE A 9 13.153 17.048 10.317 1.00 0.00 N ATOM 82 CA PHE A 9 12.195 16.045 9.868 1.00 0.00 C ATOM 83 C PHE A 9 11.193 15.719 10.972 1.00 0.00 C ATOM 84 O PHE A 9 11.551 15.142 11.999 1.00 0.00 O ATOM 85 CB PHE A 9 12.923 14.772 9.432 1.00 0.00 C ATOM 86 CG PHE A 9 12.011 13.728 8.854 1.00 0.00 C ATOM 87 CD1 PHE A 9 11.082 13.081 9.654 1.00 0.00 C ATOM 88 CD2 PHE A 9 12.082 13.393 7.512 1.00 0.00 C ATOM 89 CE1 PHE A 9 10.241 12.120 9.125 1.00 0.00 C ATOM 90 CE2 PHE A 9 11.244 12.433 6.978 1.00 0.00 C ATOM 91 CZ PHE A 9 10.323 11.795 7.786 1.00 0.00 C ATOM 0 H PHE A 9 13.653 16.801 11.171 1.00 0.00 H new ATOM 0 HA PHE A 9 11.651 16.453 9.016 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.680 15.031 8.692 1.00 0.00 H new ATOM 0 HB3 PHE A 9 13.447 14.351 10.290 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.015 13.331 10.703 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.801 13.888 6.876 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.521 11.624 9.759 1.00 0.00 H new ATOM 0 HE2 PHE A 9 11.309 12.182 5.930 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.668 11.043 7.371 1.00 0.00 H new ATOM 101 N ALA A 10 9.937 16.092 10.752 1.00 0.00 N ATOM 102 CA ALA A 10 8.883 15.838 11.726 1.00 0.00 C ATOM 103 C ALA A 10 7.553 15.556 11.035 1.00 0.00 C ATOM 104 O ALA A 10 7.256 16.125 9.985 1.00 0.00 O ATOM 105 CB ALA A 10 8.746 17.019 12.676 1.00 0.00 C ATOM 0 H ALA A 10 9.624 16.571 9.908 1.00 0.00 H new ATOM 0 HA ALA A 10 9.159 14.954 12.300 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.955 16.815 13.398 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.688 17.173 13.203 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.497 17.916 12.108 1.00 0.00 H new ATOM 111 N ILE A 11 6.758 14.674 11.631 1.00 0.00 N ATOM 112 CA ILE A 11 5.460 14.317 11.072 1.00 0.00 C ATOM 113 C ILE A 11 4.378 15.290 11.528 1.00 0.00 C ATOM 114 O ILE A 11 4.101 15.412 12.721 1.00 0.00 O ATOM 115 CB ILE A 11 5.049 12.887 11.471 1.00 0.00 C ATOM 116 CG1 ILE A 11 6.038 11.870 10.899 1.00 0.00 C ATOM 117 CG2 ILE A 11 3.636 12.588 10.992 1.00 0.00 C ATOM 118 CD1 ILE A 11 7.158 11.514 11.851 1.00 0.00 C ATOM 0 H ILE A 11 6.990 14.194 12.500 1.00 0.00 H new ATOM 0 HA ILE A 11 5.559 14.369 9.988 1.00 0.00 H new ATOM 0 HB ILE A 11 5.066 12.810 12.558 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.498 10.962 10.630 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.467 12.270 9.980 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.361 11.574 11.282 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.941 13.296 11.444 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.593 12.680 9.907 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.820 10.789 11.379 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.723 12.412 12.101 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.739 11.084 12.761 1.00 0.00 H new ATOM 130 N ASP A 12 3.769 15.980 10.570 1.00 0.00 N ATOM 131 CA ASP A 12 2.716 16.942 10.872 1.00 0.00 C ATOM 132 C ASP A 12 1.345 16.376 10.514 1.00 0.00 C ATOM 133 O ASP A 12 1.078 16.008 9.370 1.00 0.00 O ATOM 134 CB ASP A 12 2.955 18.249 10.114 1.00 0.00 C ATOM 135 CG ASP A 12 4.391 18.725 10.221 1.00 0.00 C ATOM 136 OD1 ASP A 12 4.699 19.468 11.176 1.00 0.00 O ATOM 137 OD2 ASP A 12 5.206 18.355 9.350 1.00 0.00 O ATOM 0 H ASP A 12 3.987 15.891 9.577 1.00 0.00 H new ATOM 0 HA ASP A 12 2.739 17.144 11.943 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.699 18.109 9.064 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.290 19.019 10.504 1.00 0.00 H new ATOM 142 N PRO A 13 0.455 16.302 11.515 1.00 0.00 N ATOM 143 CA PRO A 13 -0.903 15.782 11.330 1.00 0.00 C ATOM 144 C PRO A 13 -1.773 16.715 10.494 1.00 0.00 C ATOM 145 O PRO A 13 -2.791 16.300 9.941 1.00 0.00 O ATOM 146 CB PRO A 13 -1.443 15.685 12.758 1.00 0.00 C ATOM 147 CG PRO A 13 -0.662 16.693 13.528 1.00 0.00 C ATOM 148 CD PRO A 13 0.705 16.723 12.903 1.00 0.00 C ATOM 0 HA PRO A 13 -0.906 14.834 10.793 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.511 15.901 12.793 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.307 14.683 13.165 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.135 17.674 13.479 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.604 16.420 14.582 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.145 17.719 12.948 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.394 16.047 13.410 1.00 0.00 H new ATOM 156 N ASN A 14 -1.364 17.976 10.405 1.00 0.00 N ATOM 157 CA ASN A 14 -2.107 18.968 9.636 1.00 0.00 C ATOM 158 C ASN A 14 -2.624 18.369 8.332 1.00 0.00 C ATOM 159 O ASN A 14 -3.818 18.432 8.039 1.00 0.00 O ATOM 160 CB ASN A 14 -1.222 20.180 9.337 1.00 0.00 C ATOM 161 CG ASN A 14 -0.864 20.957 10.589 1.00 0.00 C ATOM 162 OD1 ASN A 14 0.310 21.105 10.927 1.00 0.00 O ATOM 163 ND2 ASN A 14 -1.879 21.458 11.284 1.00 0.00 N ATOM 0 H ASN A 14 -0.522 18.335 10.856 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.961 19.288 10.233 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.308 19.847 8.846 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.737 20.839 8.638 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.701 21.990 12.136 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.837 21.310 10.966 1.00 0.00 H new ATOM 170 N GLU A 15 -1.718 17.787 7.552 1.00 0.00 N ATOM 171 CA GLU A 15 -2.083 17.177 6.280 1.00 0.00 C ATOM 172 C GLU A 15 -2.792 15.844 6.499 1.00 0.00 C ATOM 173 O GLU A 15 -2.490 15.097 7.431 1.00 0.00 O ATOM 174 CB GLU A 15 -0.840 16.970 5.412 1.00 0.00 C ATOM 175 CG GLU A 15 -0.445 18.199 4.611 1.00 0.00 C ATOM 176 CD GLU A 15 -1.177 18.291 3.286 1.00 0.00 C ATOM 177 OE1 GLU A 15 -1.349 17.243 2.629 1.00 0.00 O ATOM 178 OE2 GLU A 15 -1.579 19.411 2.907 1.00 0.00 O ATOM 0 H GLU A 15 -0.726 17.726 7.780 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.767 17.852 5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.006 16.679 6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.020 16.142 4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.652 19.093 5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.629 18.179 4.428 1.00 0.00 H new ATOM 185 N PRO A 16 -3.759 15.536 5.622 1.00 0.00 N ATOM 186 CA PRO A 16 -4.531 14.293 5.698 1.00 0.00 C ATOM 187 C PRO A 16 -3.692 13.067 5.352 1.00 0.00 C ATOM 188 O PRO A 16 -2.501 13.179 5.058 1.00 0.00 O ATOM 189 CB PRO A 16 -5.635 14.496 4.657 1.00 0.00 C ATOM 190 CG PRO A 16 -5.065 15.472 3.686 1.00 0.00 C ATOM 191 CD PRO A 16 -4.172 16.379 4.487 1.00 0.00 C ATOM 0 HA PRO A 16 -4.905 14.107 6.705 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.896 13.557 4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.546 14.880 5.116 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.503 14.962 2.904 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.855 16.038 3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.315 16.716 3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.701 17.271 4.821 1.00 0.00 H new ATOM 199 N THR A 17 -4.320 11.896 5.389 1.00 0.00 N ATOM 200 CA THR A 17 -3.631 10.649 5.081 1.00 0.00 C ATOM 201 C THR A 17 -4.492 9.748 4.203 1.00 0.00 C ATOM 202 O THR A 17 -5.719 9.852 4.205 1.00 0.00 O ATOM 203 CB THR A 17 -3.250 9.886 6.363 1.00 0.00 C ATOM 204 OG1 THR A 17 -4.426 9.355 6.985 1.00 0.00 O ATOM 205 CG2 THR A 17 -2.521 10.797 7.339 1.00 0.00 C ATOM 0 H THR A 17 -5.305 11.785 5.629 1.00 0.00 H new ATOM 0 HA THR A 17 -2.722 10.915 4.542 1.00 0.00 H new ATOM 0 HB THR A 17 -2.584 9.068 6.088 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.175 8.870 7.799 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.262 10.236 8.237 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.611 11.176 6.873 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.166 11.633 7.608 1.00 0.00 H new ATOM 213 N TYR A 18 -3.842 8.864 3.454 1.00 0.00 N ATOM 214 CA TYR A 18 -4.549 7.945 2.570 1.00 0.00 C ATOM 215 C TYR A 18 -4.022 6.523 2.728 1.00 0.00 C ATOM 216 O TYR A 18 -4.749 5.621 3.145 1.00 0.00 O ATOM 217 CB TYR A 18 -4.408 8.395 1.114 1.00 0.00 C ATOM 218 CG TYR A 18 -4.926 9.793 0.860 1.00 0.00 C ATOM 219 CD1 TYR A 18 -4.209 10.907 1.279 1.00 0.00 C ATOM 220 CD2 TYR A 18 -6.130 9.999 0.199 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.679 12.186 1.049 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.607 11.274 -0.037 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.878 12.364 0.390 1.00 0.00 C ATOM 224 OH TYR A 18 -6.348 13.636 0.158 1.00 0.00 O ATOM 0 H TYR A 18 -2.827 8.764 3.441 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.603 7.954 2.846 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.357 8.348 0.828 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.944 7.696 0.473 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.269 10.771 1.793 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.703 9.148 -0.136 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.111 13.042 1.383 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.545 11.416 -0.553 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.204 13.587 -0.317 1.00 0.00 H new ATOM 234 N CYS A 19 -2.750 6.330 2.392 1.00 0.00 N ATOM 235 CA CYS A 19 -2.122 5.018 2.496 1.00 0.00 C ATOM 236 C CYS A 19 -2.517 4.327 3.798 1.00 0.00 C ATOM 237 O CYS A 19 -3.051 4.958 4.711 1.00 0.00 O ATOM 238 CB CYS A 19 -0.600 5.151 2.417 1.00 0.00 C ATOM 239 SG CYS A 19 0.255 3.620 1.922 1.00 0.00 S ATOM 0 H CYS A 19 -2.134 7.066 2.045 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.471 4.409 1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.351 5.939 1.707 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.223 5.467 3.389 1.00 0.00 H new ATOM 244 N LEU A 20 -2.249 3.029 3.877 1.00 0.00 N ATOM 245 CA LEU A 20 -2.576 2.251 5.067 1.00 0.00 C ATOM 246 C LEU A 20 -1.718 2.684 6.252 1.00 0.00 C ATOM 247 O LEU A 20 -2.169 2.664 7.398 1.00 0.00 O ATOM 248 CB LEU A 20 -2.375 0.759 4.797 1.00 0.00 C ATOM 249 CG LEU A 20 -2.965 0.229 3.489 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.143 -0.940 2.968 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.416 -0.184 3.687 1.00 0.00 C ATOM 0 H LEU A 20 -1.806 2.492 3.131 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.622 2.432 5.313 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.305 0.550 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.812 0.198 5.623 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.933 1.028 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.578 -1.304 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.119 -0.613 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.142 -1.742 3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.819 -0.558 2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.471 -0.967 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.998 0.678 4.014 1.00 0.00 H new ATOM 263 N CYS A 21 -0.482 3.078 5.968 1.00 0.00 N ATOM 264 CA CYS A 21 0.439 3.518 7.009 1.00 0.00 C ATOM 265 C CYS A 21 0.050 4.899 7.531 1.00 0.00 C ATOM 266 O CYS A 21 0.740 5.472 8.374 1.00 0.00 O ATOM 267 CB CYS A 21 1.872 3.549 6.473 1.00 0.00 C ATOM 268 SG CYS A 21 2.108 4.657 5.047 1.00 0.00 S ATOM 0 H CYS A 21 -0.094 3.102 5.025 1.00 0.00 H new ATOM 0 HA CYS A 21 0.382 2.807 7.833 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.542 3.859 7.275 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.163 2.538 6.187 1.00 0.00 H new ATOM 273 N ASN A 22 -1.060 5.426 7.024 1.00 0.00 N ATOM 274 CA ASN A 22 -1.541 6.739 7.439 1.00 0.00 C ATOM 275 C ASN A 22 -0.438 7.786 7.315 1.00 0.00 C ATOM 276 O ASN A 22 -0.134 8.497 8.272 1.00 0.00 O ATOM 277 CB ASN A 22 -2.050 6.687 8.881 1.00 0.00 C ATOM 278 CG ASN A 22 -3.254 5.777 9.036 1.00 0.00 C ATOM 279 OD1 ASN A 22 -4.394 6.199 8.842 1.00 0.00 O ATOM 280 ND2 ASN A 22 -3.004 4.521 9.388 1.00 0.00 N ATOM 0 H ASN A 22 -1.643 4.964 6.326 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.363 7.022 6.781 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.249 6.340 9.534 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.314 7.693 9.207 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.773 3.862 9.508 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.043 4.215 9.538 1.00 0.00 H new ATOM 287 N GLN A 23 0.155 7.875 6.129 1.00 0.00 N ATOM 288 CA GLN A 23 1.224 8.835 5.880 1.00 0.00 C ATOM 289 C GLN A 23 0.876 9.744 4.705 1.00 0.00 C ATOM 290 O GLN A 23 0.081 9.379 3.839 1.00 0.00 O ATOM 291 CB GLN A 23 2.540 8.106 5.604 1.00 0.00 C ATOM 292 CG GLN A 23 3.243 7.622 6.862 1.00 0.00 C ATOM 293 CD GLN A 23 3.919 8.747 7.622 1.00 0.00 C ATOM 294 OE1 GLN A 23 4.155 9.825 7.077 1.00 0.00 O ATOM 295 NE2 GLN A 23 4.234 8.500 8.888 1.00 0.00 N ATOM 0 H GLN A 23 -0.086 7.294 5.326 1.00 0.00 H new ATOM 0 HA GLN A 23 1.339 9.451 6.772 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.344 7.252 4.956 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.208 8.773 5.058 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.519 7.133 7.513 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.987 6.872 6.592 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.019 7.591 9.299 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.690 9.219 9.450 1.00 0.00 H new ATOM 304 N VAL A 24 1.477 10.929 4.683 1.00 0.00 N ATOM 305 CA VAL A 24 1.232 11.890 3.614 1.00 0.00 C ATOM 306 C VAL A 24 1.762 11.376 2.280 1.00 0.00 C ATOM 307 O VAL A 24 2.855 10.815 2.209 1.00 0.00 O ATOM 308 CB VAL A 24 1.884 13.251 3.922 1.00 0.00 C ATOM 309 CG1 VAL A 24 1.134 13.962 5.038 1.00 0.00 C ATOM 310 CG2 VAL A 24 3.350 13.069 4.286 1.00 0.00 C ATOM 0 H VAL A 24 2.137 11.247 5.393 1.00 0.00 H new ATOM 0 HA VAL A 24 0.152 12.019 3.547 1.00 0.00 H new ATOM 0 HB VAL A 24 1.829 13.871 3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.609 14.922 5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.100 14.126 4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.155 13.348 5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.795 14.041 4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.430 12.431 5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.877 12.605 3.452 1.00 0.00 H new ATOM 320 N SER A 25 0.979 11.572 1.224 1.00 0.00 N ATOM 321 CA SER A 25 1.367 11.125 -0.109 1.00 0.00 C ATOM 322 C SER A 25 2.818 11.494 -0.404 1.00 0.00 C ATOM 323 O SER A 25 3.266 12.597 -0.090 1.00 0.00 O ATOM 324 CB SER A 25 0.448 11.741 -1.165 1.00 0.00 C ATOM 325 OG SER A 25 1.078 11.775 -2.433 1.00 0.00 O ATOM 0 H SER A 25 0.072 12.037 1.265 1.00 0.00 H new ATOM 0 HA SER A 25 1.271 10.040 -0.143 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.475 11.164 -1.229 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.172 12.752 -0.866 1.00 0.00 H new ATOM 0 HG SER A 25 1.098 10.872 -2.812 1.00 0.00 H new ATOM 331 N TYR A 26 3.547 10.563 -1.009 1.00 0.00 N ATOM 332 CA TYR A 26 4.948 10.788 -1.345 1.00 0.00 C ATOM 333 C TYR A 26 5.420 9.796 -2.404 1.00 0.00 C ATOM 334 O TYR A 26 4.704 8.860 -2.758 1.00 0.00 O ATOM 335 CB TYR A 26 5.820 10.668 -0.094 1.00 0.00 C ATOM 336 CG TYR A 26 6.141 9.240 0.286 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.176 8.552 -0.336 1.00 0.00 C ATOM 338 CD2 TYR A 26 5.410 8.580 1.265 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.473 7.247 0.008 1.00 0.00 C ATOM 340 CE2 TYR A 26 5.701 7.276 1.616 1.00 0.00 C ATOM 341 CZ TYR A 26 6.733 6.614 0.984 1.00 0.00 C ATOM 342 OH TYR A 26 7.025 5.314 1.330 1.00 0.00 O ATOM 0 H TYR A 26 3.191 9.645 -1.277 1.00 0.00 H new ATOM 0 HA TYR A 26 5.041 11.796 -1.749 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.752 11.210 -0.257 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.312 11.152 0.740 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.758 9.045 -1.101 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.600 9.095 1.760 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.280 6.726 -0.485 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.124 6.778 2.381 1.00 0.00 H new ATOM 0 HH TYR A 26 6.411 5.017 2.034 1.00 0.00 H new ATOM 352 N GLY A 27 6.633 10.008 -2.906 1.00 0.00 N ATOM 353 CA GLY A 27 7.182 9.126 -3.919 1.00 0.00 C ATOM 354 C GLY A 27 6.164 8.756 -4.979 1.00 0.00 C ATOM 355 O GLY A 27 5.423 9.612 -5.462 1.00 0.00 O ATOM 0 H GLY A 27 7.245 10.775 -2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.036 9.610 -4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.553 8.218 -3.443 1.00 0.00 H new ATOM 359 N GLU A 28 6.128 7.478 -5.344 1.00 0.00 N ATOM 360 CA GLU A 28 5.194 6.999 -6.356 1.00 0.00 C ATOM 361 C GLU A 28 3.926 6.449 -5.710 1.00 0.00 C ATOM 362 O GLU A 28 3.990 5.630 -4.793 1.00 0.00 O ATOM 363 CB GLU A 28 5.852 5.919 -7.217 1.00 0.00 C ATOM 364 CG GLU A 28 6.561 6.466 -8.445 1.00 0.00 C ATOM 365 CD GLU A 28 6.641 5.455 -9.572 1.00 0.00 C ATOM 366 OE1 GLU A 28 6.680 4.242 -9.278 1.00 0.00 O ATOM 367 OE2 GLU A 28 6.664 5.876 -10.747 1.00 0.00 O ATOM 0 H GLU A 28 6.734 6.756 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 28 4.920 7.842 -6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.570 5.369 -6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.091 5.206 -7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.037 7.355 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.569 6.778 -8.169 1.00 0.00 H new ATOM 374 N MET A 29 2.776 6.905 -6.194 1.00 0.00 N ATOM 375 CA MET A 29 1.493 6.458 -5.665 1.00 0.00 C ATOM 376 C MET A 29 0.529 6.112 -6.795 1.00 0.00 C ATOM 377 O MET A 29 0.482 6.801 -7.815 1.00 0.00 O ATOM 378 CB MET A 29 0.882 7.538 -4.770 1.00 0.00 C ATOM 379 CG MET A 29 1.274 7.409 -3.307 1.00 0.00 C ATOM 380 SD MET A 29 0.390 8.568 -2.246 1.00 0.00 S ATOM 381 CE MET A 29 -0.467 7.439 -1.151 1.00 0.00 C ATOM 0 H MET A 29 2.706 7.584 -6.952 1.00 0.00 H new ATOM 0 HA MET A 29 1.666 5.560 -5.072 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.190 8.518 -5.135 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.204 7.494 -4.852 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.077 6.391 -2.970 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.346 7.576 -3.206 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.417 7.815 -0.129 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.510 7.357 -1.457 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.004 6.457 -1.200 1.00 0.00 H new ATOM 391 N ILE A 30 -0.237 5.043 -6.607 1.00 0.00 N ATOM 392 CA ILE A 30 -1.200 4.608 -7.611 1.00 0.00 C ATOM 393 C ILE A 30 -2.628 4.923 -7.176 1.00 0.00 C ATOM 394 O ILE A 30 -2.896 5.129 -5.994 1.00 0.00 O ATOM 395 CB ILE A 30 -1.081 3.098 -7.888 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.847 2.301 -6.830 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.381 2.679 -7.918 1.00 0.00 C ATOM 398 CD1 ILE A 30 -1.359 2.544 -5.420 1.00 0.00 C ATOM 0 H ILE A 30 -0.210 4.462 -5.769 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.972 5.156 -8.525 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.520 2.887 -8.863 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.905 2.557 -6.889 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.764 1.238 -7.057 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.449 1.609 -8.115 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.900 3.226 -8.705 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.843 2.901 -6.956 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.947 1.947 -4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.309 2.261 -5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.468 3.600 -5.174 1.00 0.00 H new ATOM 410 N GLY A 31 -3.541 4.956 -8.142 1.00 0.00 N ATOM 411 CA GLY A 31 -4.931 5.244 -7.839 1.00 0.00 C ATOM 412 C GLY A 31 -5.830 4.041 -8.044 1.00 0.00 C ATOM 413 O GLY A 31 -6.176 3.700 -9.175 1.00 0.00 O ATOM 0 H GLY A 31 -3.343 4.789 -9.129 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.012 5.582 -6.806 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.275 6.063 -8.471 1.00 0.00 H new ATOM 417 N CYS A 32 -6.209 3.394 -6.947 1.00 0.00 N ATOM 418 CA CYS A 32 -7.072 2.221 -7.010 1.00 0.00 C ATOM 419 C CYS A 32 -8.149 2.394 -8.077 1.00 0.00 C ATOM 420 O CYS A 32 -8.687 3.486 -8.259 1.00 0.00 O ATOM 421 CB CYS A 32 -7.723 1.967 -5.649 1.00 0.00 C ATOM 422 SG CYS A 32 -8.693 0.426 -5.565 1.00 0.00 S ATOM 0 H CYS A 32 -5.932 3.663 -6.003 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.456 1.362 -7.277 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.945 1.936 -4.886 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.374 2.807 -5.407 1.00 0.00 H new ATOM 427 N ASP A 33 -8.458 1.310 -8.780 1.00 0.00 N ATOM 428 CA ASP A 33 -9.471 1.341 -9.828 1.00 0.00 C ATOM 429 C ASP A 33 -10.856 1.054 -9.254 1.00 0.00 C ATOM 430 O ASP A 33 -11.744 0.578 -9.959 1.00 0.00 O ATOM 431 CB ASP A 33 -9.137 0.324 -10.920 1.00 0.00 C ATOM 432 CG ASP A 33 -9.914 0.570 -12.198 1.00 0.00 C ATOM 433 OD1 ASP A 33 -11.093 0.163 -12.264 1.00 0.00 O ATOM 434 OD2 ASP A 33 -9.344 1.170 -13.134 1.00 0.00 O ATOM 0 H ASP A 33 -8.021 0.399 -8.643 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.478 2.340 -10.263 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.069 0.363 -11.134 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.352 -0.680 -10.555 1.00 0.00 H new ATOM 439 N ASN A 34 -11.030 1.347 -7.970 1.00 0.00 N ATOM 440 CA ASN A 34 -12.306 1.120 -7.301 1.00 0.00 C ATOM 441 C ASN A 34 -12.877 2.426 -6.759 1.00 0.00 C ATOM 442 O ASN A 34 -12.459 2.909 -5.708 1.00 0.00 O ATOM 443 CB ASN A 34 -12.135 0.114 -6.161 1.00 0.00 C ATOM 444 CG ASN A 34 -13.442 -0.184 -5.451 1.00 0.00 C ATOM 445 OD1 ASN A 34 -13.490 0.103 -4.155 1.00 0.00 O flip ATOM 446 ND2 ASN A 34 -14.397 -0.665 -6.061 1.00 0.00 N flip ATOM 0 H ASN A 34 -10.304 1.742 -7.372 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.005 0.715 -8.033 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.721 -0.813 -6.557 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.415 0.503 -5.442 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.315 -0.870 -7.057 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.270 -0.859 -5.571 1.00 0.00 H new ATOM 453 N GLU A 35 -13.836 2.993 -7.485 1.00 0.00 N ATOM 454 CA GLU A 35 -14.465 4.244 -7.077 1.00 0.00 C ATOM 455 C GLU A 35 -14.742 4.249 -5.577 1.00 0.00 C ATOM 456 O GLU A 35 -14.159 5.035 -4.831 1.00 0.00 O ATOM 457 CB GLU A 35 -15.768 4.461 -7.849 1.00 0.00 C ATOM 458 CG GLU A 35 -15.557 4.913 -9.284 1.00 0.00 C ATOM 459 CD GLU A 35 -16.812 5.499 -9.901 1.00 0.00 C ATOM 460 OE1 GLU A 35 -17.800 4.751 -10.059 1.00 0.00 O ATOM 461 OE2 GLU A 35 -16.807 6.705 -10.227 1.00 0.00 O ATOM 0 H GLU A 35 -14.194 2.606 -8.358 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.777 5.058 -7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -16.339 3.533 -7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -16.370 5.205 -7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.761 5.657 -9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.224 4.065 -9.883 1.00 0.00 H new ATOM 468 N GLN A 36 -15.638 3.367 -5.143 1.00 0.00 N ATOM 469 CA GLN A 36 -15.994 3.271 -3.733 1.00 0.00 C ATOM 470 C GLN A 36 -14.791 3.575 -2.846 1.00 0.00 C ATOM 471 O GLN A 36 -14.912 4.265 -1.833 1.00 0.00 O ATOM 472 CB GLN A 36 -16.536 1.877 -3.416 1.00 0.00 C ATOM 473 CG GLN A 36 -17.969 1.662 -3.877 1.00 0.00 C ATOM 474 CD GLN A 36 -18.696 0.617 -3.054 1.00 0.00 C ATOM 475 OE1 GLN A 36 -18.541 0.552 -1.835 1.00 0.00 O ATOM 476 NE2 GLN A 36 -19.497 -0.208 -3.719 1.00 0.00 N ATOM 0 H GLN A 36 -16.130 2.709 -5.748 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.769 4.010 -3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.896 1.131 -3.887 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.480 1.711 -2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -18.511 2.606 -3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -17.968 1.359 -4.924 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -19.596 -0.118 -4.730 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -20.013 -0.931 -3.218 1.00 0.00 H new ATOM 485 N CYS A 37 -13.630 3.056 -3.233 1.00 0.00 N ATOM 486 CA CYS A 37 -12.405 3.271 -2.473 1.00 0.00 C ATOM 487 C CYS A 37 -12.288 4.726 -2.029 1.00 0.00 C ATOM 488 O CYS A 37 -11.951 5.615 -2.811 1.00 0.00 O ATOM 489 CB CYS A 37 -11.185 2.883 -3.311 1.00 0.00 C ATOM 490 SG CYS A 37 -9.736 2.382 -2.328 1.00 0.00 S ATOM 0 H CYS A 37 -13.512 2.483 -4.069 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.443 2.640 -1.585 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.460 2.064 -3.976 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.908 3.727 -3.942 1.00 0.00 H new ATOM 495 N PRO A 38 -12.573 4.977 -0.742 1.00 0.00 N ATOM 496 CA PRO A 38 -12.506 6.323 -0.165 1.00 0.00 C ATOM 497 C PRO A 38 -11.074 6.833 -0.049 1.00 0.00 C ATOM 498 O PRO A 38 -10.841 7.962 0.384 1.00 0.00 O ATOM 499 CB PRO A 38 -13.124 6.143 1.224 1.00 0.00 C ATOM 500 CG PRO A 38 -12.905 4.707 1.554 1.00 0.00 C ATOM 501 CD PRO A 38 -12.982 3.966 0.247 1.00 0.00 C ATOM 0 HA PRO A 38 -13.020 7.059 -0.784 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.647 6.794 1.957 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.185 6.391 1.220 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.936 4.559 2.030 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.661 4.347 2.252 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.319 3.101 0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.989 3.598 0.052 1.00 0.00 H new ATOM 509 N ILE A 39 -10.119 5.996 -0.438 1.00 0.00 N ATOM 510 CA ILE A 39 -8.710 6.365 -0.379 1.00 0.00 C ATOM 511 C ILE A 39 -8.134 6.560 -1.777 1.00 0.00 C ATOM 512 O ILE A 39 -7.500 7.576 -2.061 1.00 0.00 O ATOM 513 CB ILE A 39 -7.880 5.299 0.362 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.433 5.079 1.771 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.417 5.713 0.419 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.907 3.828 2.438 1.00 0.00 C ATOM 0 H ILE A 39 -10.295 5.058 -0.797 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.652 7.305 0.169 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.950 4.359 -0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.185 5.942 2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.521 5.025 1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.843 4.950 0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.030 5.823 -0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.328 6.663 0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.341 3.736 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.178 2.957 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.822 3.888 2.520 1.00 0.00 H new ATOM 528 N GLU A 40 -8.360 5.581 -2.647 1.00 0.00 N ATOM 529 CA GLU A 40 -7.864 5.647 -4.017 1.00 0.00 C ATOM 530 C GLU A 40 -6.471 6.268 -4.061 1.00 0.00 C ATOM 531 O GLU A 40 -6.154 7.044 -4.963 1.00 0.00 O ATOM 532 CB GLU A 40 -8.823 6.457 -4.892 1.00 0.00 C ATOM 533 CG GLU A 40 -9.914 5.619 -5.537 1.00 0.00 C ATOM 534 CD GLU A 40 -10.453 6.241 -6.810 1.00 0.00 C ATOM 535 OE1 GLU A 40 -11.126 7.289 -6.718 1.00 0.00 O ATOM 536 OE2 GLU A 40 -10.202 5.682 -7.897 1.00 0.00 O ATOM 0 H GLU A 40 -8.883 4.733 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.803 4.630 -4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.285 7.235 -4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.252 6.959 -5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.521 4.627 -5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.731 5.486 -4.828 1.00 0.00 H new ATOM 543 N TRP A 41 -5.644 5.920 -3.082 1.00 0.00 N ATOM 544 CA TRP A 41 -4.284 6.443 -3.008 1.00 0.00 C ATOM 545 C TRP A 41 -3.432 5.611 -2.056 1.00 0.00 C ATOM 546 O TRP A 41 -3.692 5.564 -0.854 1.00 0.00 O ATOM 547 CB TRP A 41 -4.301 7.903 -2.553 1.00 0.00 C ATOM 548 CG TRP A 41 -4.896 8.834 -3.567 1.00 0.00 C ATOM 549 CD1 TRP A 41 -6.030 9.582 -3.427 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.387 9.115 -4.875 1.00 0.00 C ATOM 551 NE1 TRP A 41 -6.257 10.310 -4.570 1.00 0.00 N ATOM 552 CE2 TRP A 41 -5.263 10.042 -5.473 1.00 0.00 C ATOM 553 CE3 TRP A 41 -3.276 8.675 -5.599 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -5.061 10.533 -6.760 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -3.077 9.163 -6.877 1.00 0.00 C ATOM 556 CH2 TRP A 41 -3.965 10.085 -7.446 1.00 0.00 C ATOM 0 H TRP A 41 -5.891 5.278 -2.329 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.845 6.385 -4.004 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.866 7.980 -1.624 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.281 8.220 -2.334 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.656 9.599 -2.547 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.039 10.947 -4.721 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.585 7.966 -5.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.745 11.242 -7.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.223 8.828 -7.446 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.781 10.449 -8.446 1.00 0.00 H new ATOM 567 N PHE A 42 -2.412 4.956 -2.601 1.00 0.00 N ATOM 568 CA PHE A 42 -1.521 4.125 -1.800 1.00 0.00 C ATOM 569 C PHE A 42 -0.095 4.178 -2.340 1.00 0.00 C ATOM 570 O PHE A 42 0.125 4.473 -3.515 1.00 0.00 O ATOM 571 CB PHE A 42 -2.019 2.678 -1.781 1.00 0.00 C ATOM 572 CG PHE A 42 -3.477 2.550 -1.444 1.00 0.00 C ATOM 573 CD1 PHE A 42 -4.447 2.795 -2.403 1.00 0.00 C ATOM 574 CD2 PHE A 42 -3.877 2.184 -0.169 1.00 0.00 C ATOM 575 CE1 PHE A 42 -5.789 2.678 -2.097 1.00 0.00 C ATOM 576 CE2 PHE A 42 -5.218 2.065 0.143 1.00 0.00 C ATOM 577 CZ PHE A 42 -6.176 2.313 -0.822 1.00 0.00 C ATOM 0 H PHE A 42 -2.182 4.985 -3.594 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.519 4.514 -0.782 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.839 2.227 -2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.436 2.111 -1.056 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.150 3.081 -3.401 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.133 1.990 0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.535 2.872 -2.854 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.517 1.778 1.140 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.225 2.222 -0.580 1.00 0.00 H new ATOM 587 N HIS A 43 0.871 3.889 -1.473 1.00 0.00 N ATOM 588 CA HIS A 43 2.276 3.904 -1.863 1.00 0.00 C ATOM 589 C HIS A 43 2.643 2.632 -2.622 1.00 0.00 C ATOM 590 O HIS A 43 1.832 1.714 -2.743 1.00 0.00 O ATOM 591 CB HIS A 43 3.167 4.049 -0.629 1.00 0.00 C ATOM 592 CG HIS A 43 2.855 5.260 0.196 1.00 0.00 C ATOM 593 ND1 HIS A 43 2.399 6.483 -0.164 1.00 0.00 N flip ATOM 594 CD2 HIS A 43 3.007 5.297 1.566 1.00 0.00 C flip ATOM 595 CE1 HIS A 43 2.283 7.228 0.984 1.00 0.00 C flip ATOM 596 NE2 HIS A 43 2.656 6.489 2.014 1.00 0.00 N flip ATOM 0 H HIS A 43 0.706 3.642 -0.497 1.00 0.00 H new ATOM 0 HA HIS A 43 2.436 4.758 -2.521 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.061 3.159 -0.008 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.209 4.094 -0.946 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.358 4.479 2.177 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.942 8.252 1.036 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.670 6.788 2.989 1.00 0.00 H new ATOM 604 N PHE A 44 3.869 2.586 -3.132 1.00 0.00 N ATOM 605 CA PHE A 44 4.342 1.428 -3.881 1.00 0.00 C ATOM 606 C PHE A 44 4.983 0.403 -2.951 1.00 0.00 C ATOM 607 O PHE A 44 4.520 -0.733 -2.848 1.00 0.00 O ATOM 608 CB PHE A 44 5.347 1.861 -4.951 1.00 0.00 C ATOM 609 CG PHE A 44 4.703 2.426 -6.185 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.631 3.298 -6.085 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.170 2.084 -7.444 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.036 3.819 -7.219 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.579 2.602 -8.581 1.00 0.00 C ATOM 614 CZ PHE A 44 3.512 3.471 -8.469 1.00 0.00 C ATOM 0 H PHE A 44 4.553 3.337 -3.040 1.00 0.00 H new ATOM 0 HA PHE A 44 3.482 0.965 -4.366 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.018 2.608 -4.527 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.960 1.004 -5.231 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.256 3.574 -5.110 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.005 1.405 -7.538 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.200 4.497 -7.128 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.952 2.327 -9.557 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.050 3.878 -9.356 1.00 0.00 H new ATOM 624 N SER A 45 6.052 0.813 -2.275 1.00 0.00 N ATOM 625 CA SER A 45 6.760 -0.070 -1.356 1.00 0.00 C ATOM 626 C SER A 45 5.788 -0.748 -0.396 1.00 0.00 C ATOM 627 O SER A 45 5.905 -1.941 -0.113 1.00 0.00 O ATOM 628 CB SER A 45 7.809 0.716 -0.567 1.00 0.00 C ATOM 629 OG SER A 45 8.308 -0.047 0.518 1.00 0.00 O ATOM 0 H SER A 45 6.446 1.751 -2.347 1.00 0.00 H new ATOM 0 HA SER A 45 7.259 -0.840 -1.944 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.630 0.996 -1.227 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.370 1.641 -0.194 1.00 0.00 H new ATOM 0 HG SER A 45 8.978 0.477 1.005 1.00 0.00 H new ATOM 635 N CYS A 46 4.826 0.021 0.103 1.00 0.00 N ATOM 636 CA CYS A 46 3.832 -0.503 1.032 1.00 0.00 C ATOM 637 C CYS A 46 3.035 -1.637 0.394 1.00 0.00 C ATOM 638 O CYS A 46 2.786 -2.666 1.023 1.00 0.00 O ATOM 639 CB CYS A 46 2.884 0.612 1.479 1.00 0.00 C ATOM 640 SG CYS A 46 3.477 1.561 2.917 1.00 0.00 S ATOM 0 H CYS A 46 4.714 1.010 -0.121 1.00 0.00 H new ATOM 0 HA CYS A 46 4.357 -0.896 1.903 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.727 1.296 0.645 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.915 0.175 1.720 1.00 0.00 H new ATOM 645 N VAL A 47 2.639 -1.442 -0.859 1.00 0.00 N ATOM 646 CA VAL A 47 1.872 -2.449 -1.584 1.00 0.00 C ATOM 647 C VAL A 47 2.785 -3.341 -2.417 1.00 0.00 C ATOM 648 O VAL A 47 2.357 -3.935 -3.406 1.00 0.00 O ATOM 649 CB VAL A 47 0.825 -1.799 -2.508 1.00 0.00 C ATOM 650 CG1 VAL A 47 -0.171 -0.985 -1.698 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.506 -0.933 -3.557 1.00 0.00 C ATOM 0 H VAL A 47 2.836 -0.596 -1.394 1.00 0.00 H new ATOM 0 HA VAL A 47 1.360 -3.055 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 47 0.278 -2.590 -3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.903 -0.534 -2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.682 -1.636 -0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.356 -0.200 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.752 -0.481 -4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.080 -0.148 -3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.175 -1.548 -4.158 1.00 0.00 H new ATOM 661 N SER A 48 4.047 -3.432 -2.009 1.00 0.00 N ATOM 662 CA SER A 48 5.023 -4.250 -2.719 1.00 0.00 C ATOM 663 C SER A 48 4.992 -3.956 -4.216 1.00 0.00 C ATOM 664 O SER A 48 4.832 -4.861 -5.036 1.00 0.00 O ATOM 665 CB SER A 48 4.750 -5.735 -2.474 1.00 0.00 C ATOM 666 OG SER A 48 4.608 -6.006 -1.091 1.00 0.00 O ATOM 0 H SER A 48 4.417 -2.949 -1.190 1.00 0.00 H new ATOM 0 HA SER A 48 6.014 -4.002 -2.338 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.844 -6.033 -3.001 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.567 -6.330 -2.882 1.00 0.00 H new ATOM 0 HG SER A 48 4.432 -6.961 -0.961 1.00 0.00 H new ATOM 672 N LEU A 49 5.145 -2.683 -4.565 1.00 0.00 N ATOM 673 CA LEU A 49 5.135 -2.267 -5.964 1.00 0.00 C ATOM 674 C LEU A 49 6.456 -1.607 -6.345 1.00 0.00 C ATOM 675 O LEU A 49 7.042 -0.863 -5.558 1.00 0.00 O ATOM 676 CB LEU A 49 3.976 -1.302 -6.220 1.00 0.00 C ATOM 677 CG LEU A 49 2.668 -1.935 -6.696 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.585 -0.878 -6.839 1.00 0.00 C ATOM 679 CD2 LEU A 49 2.878 -2.668 -8.013 1.00 0.00 C ATOM 0 H LEU A 49 5.277 -1.922 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 49 5.003 -3.155 -6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.777 -0.753 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.295 -0.572 -6.964 1.00 0.00 H new ATOM 0 HG LEU A 49 2.344 -2.659 -5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.661 -1.347 -7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.415 -0.398 -5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.901 -0.130 -7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.937 -3.112 -8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.226 -1.965 -8.769 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.622 -3.453 -7.878 1.00 0.00 H new ATOM 691 N THR A 50 6.920 -1.882 -7.560 1.00 0.00 N ATOM 692 CA THR A 50 8.171 -1.315 -8.047 1.00 0.00 C ATOM 693 C THR A 50 7.913 -0.186 -9.039 1.00 0.00 C ATOM 694 O THR A 50 8.665 0.788 -9.094 1.00 0.00 O ATOM 695 CB THR A 50 9.048 -2.386 -8.722 1.00 0.00 C ATOM 696 OG1 THR A 50 9.079 -3.571 -7.920 1.00 0.00 O ATOM 697 CG2 THR A 50 10.465 -1.872 -8.932 1.00 0.00 C ATOM 0 H THR A 50 6.448 -2.494 -8.225 1.00 0.00 H new ATOM 0 HA THR A 50 8.698 -0.919 -7.179 1.00 0.00 H new ATOM 0 HB THR A 50 8.615 -2.618 -9.695 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.637 -4.247 -8.357 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.066 -2.646 -9.410 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.441 -0.987 -9.568 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.905 -1.615 -7.969 1.00 0.00 H new ATOM 705 N TYR A 51 6.847 -0.323 -9.819 1.00 0.00 N ATOM 706 CA TYR A 51 6.492 0.686 -10.811 1.00 0.00 C ATOM 707 C TYR A 51 5.012 0.597 -11.172 1.00 0.00 C ATOM 708 O TYR A 51 4.383 -0.449 -11.010 1.00 0.00 O ATOM 709 CB TYR A 51 7.346 0.518 -12.068 1.00 0.00 C ATOM 710 CG TYR A 51 7.547 -0.924 -12.476 1.00 0.00 C ATOM 711 CD1 TYR A 51 6.556 -1.618 -13.158 1.00 0.00 C ATOM 712 CD2 TYR A 51 8.730 -1.591 -12.180 1.00 0.00 C ATOM 713 CE1 TYR A 51 6.736 -2.936 -13.532 1.00 0.00 C ATOM 714 CE2 TYR A 51 8.919 -2.908 -12.551 1.00 0.00 C ATOM 715 CZ TYR A 51 7.919 -3.577 -13.226 1.00 0.00 C ATOM 716 OH TYR A 51 8.102 -4.889 -13.598 1.00 0.00 O ATOM 0 H TYR A 51 6.214 -1.122 -9.784 1.00 0.00 H new ATOM 0 HA TYR A 51 6.684 1.668 -10.378 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.877 1.057 -12.891 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.320 0.978 -11.900 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.629 -1.119 -13.400 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.515 -1.071 -11.651 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.955 -3.462 -14.061 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.845 -3.411 -12.314 1.00 0.00 H new ATOM 0 HH TYR A 51 8.988 -5.191 -13.308 1.00 0.00 H new ATOM 726 N LYS A 52 4.462 1.702 -11.663 1.00 0.00 N ATOM 727 CA LYS A 52 3.057 1.751 -12.050 1.00 0.00 C ATOM 728 C LYS A 52 2.693 0.560 -12.930 1.00 0.00 C ATOM 729 O LYS A 52 3.148 0.435 -14.067 1.00 0.00 O ATOM 730 CB LYS A 52 2.757 3.056 -12.791 1.00 0.00 C ATOM 731 CG LYS A 52 1.288 3.238 -13.131 1.00 0.00 C ATOM 732 CD LYS A 52 0.477 3.633 -11.908 1.00 0.00 C ATOM 733 CE LYS A 52 0.684 5.096 -11.550 1.00 0.00 C ATOM 734 NZ LYS A 52 -0.153 5.997 -12.390 1.00 0.00 N ATOM 0 H LYS A 52 4.968 2.576 -11.803 1.00 0.00 H new ATOM 0 HA LYS A 52 2.454 1.708 -11.143 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.086 3.896 -12.179 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.341 3.084 -13.711 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.184 4.003 -13.900 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.892 2.311 -13.547 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.581 3.450 -12.097 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.763 3.007 -11.063 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.441 5.250 -10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.735 5.355 -11.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.017 6.985 -12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.096 5.869 -13.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.158 5.767 -12.251 1.00 0.00 H new ATOM 748 N PRO A 53 1.852 -0.337 -12.393 1.00 0.00 N ATOM 749 CA PRO A 53 1.407 -1.534 -13.114 1.00 0.00 C ATOM 750 C PRO A 53 0.470 -1.200 -14.269 1.00 0.00 C ATOM 751 O PRO A 53 -0.588 -0.601 -14.071 1.00 0.00 O ATOM 752 CB PRO A 53 0.668 -2.339 -12.042 1.00 0.00 C ATOM 753 CG PRO A 53 0.215 -1.323 -11.050 1.00 0.00 C ATOM 754 CD PRO A 53 1.271 -0.252 -11.043 1.00 0.00 C ATOM 0 HA PRO A 53 2.240 -2.069 -13.570 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.177 -2.882 -12.467 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.323 -3.078 -11.581 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.756 -0.912 -11.328 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.102 -1.767 -10.061 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.844 0.732 -10.851 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.020 -0.431 -10.271 1.00 0.00 H new ATOM 762 N LYS A 54 0.864 -1.591 -15.476 1.00 0.00 N ATOM 763 CA LYS A 54 0.058 -1.335 -16.665 1.00 0.00 C ATOM 764 C LYS A 54 -1.171 -2.237 -16.693 1.00 0.00 C ATOM 765 O LYS A 54 -1.056 -3.456 -16.807 1.00 0.00 O ATOM 766 CB LYS A 54 0.893 -1.553 -17.929 1.00 0.00 C ATOM 767 CG LYS A 54 1.671 -0.323 -18.364 1.00 0.00 C ATOM 768 CD LYS A 54 1.760 -0.226 -19.878 1.00 0.00 C ATOM 769 CE LYS A 54 0.619 0.600 -20.451 1.00 0.00 C ATOM 770 NZ LYS A 54 -0.655 -0.170 -20.498 1.00 0.00 N ATOM 0 H LYS A 54 1.737 -2.087 -15.657 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.275 -0.298 -16.632 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.591 -2.372 -17.756 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.234 -1.862 -18.741 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.190 0.572 -17.969 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.675 -0.358 -17.941 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.713 0.223 -20.160 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.739 -1.227 -20.310 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.480 1.496 -19.846 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.880 0.932 -21.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.351 0.345 -21.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.481 -1.104 -20.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.024 -0.290 -19.533 1.00 0.00 H new ATOM 784 N GLY A 55 -2.349 -1.628 -16.591 1.00 0.00 N ATOM 785 CA GLY A 55 -3.583 -2.391 -16.608 1.00 0.00 C ATOM 786 C GLY A 55 -4.538 -1.976 -15.507 1.00 0.00 C ATOM 787 O GLY A 55 -5.060 -0.861 -15.515 1.00 0.00 O ATOM 0 H GLY A 55 -2.470 -0.620 -16.497 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.071 -2.265 -17.574 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.352 -3.451 -16.504 1.00 0.00 H new ATOM 791 N LYS A 56 -4.769 -2.874 -14.556 1.00 0.00 N ATOM 792 CA LYS A 56 -5.668 -2.597 -13.442 1.00 0.00 C ATOM 793 C LYS A 56 -5.032 -3.001 -12.116 1.00 0.00 C ATOM 794 O LYS A 56 -4.524 -4.114 -11.974 1.00 0.00 O ATOM 795 CB LYS A 56 -6.993 -3.338 -13.632 1.00 0.00 C ATOM 796 CG LYS A 56 -7.839 -2.791 -14.769 1.00 0.00 C ATOM 797 CD LYS A 56 -8.997 -3.718 -15.098 1.00 0.00 C ATOM 798 CE LYS A 56 -10.235 -3.375 -14.283 1.00 0.00 C ATOM 799 NZ LYS A 56 -11.479 -3.886 -14.922 1.00 0.00 N ATOM 0 H LYS A 56 -4.345 -3.802 -14.534 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.859 -1.524 -13.421 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.787 -4.392 -13.819 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.566 -3.284 -12.706 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.224 -1.808 -14.497 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.217 -2.656 -15.654 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.229 -3.649 -16.161 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.705 -4.750 -14.902 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.140 -3.798 -13.283 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.305 -2.294 -14.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.300 -3.632 -14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.583 -3.463 -15.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.424 -4.921 -15.011 1.00 0.00 H new ATOM 813 N TRP A 57 -5.065 -2.093 -11.148 1.00 0.00 N ATOM 814 CA TRP A 57 -4.493 -2.357 -9.832 1.00 0.00 C ATOM 815 C TRP A 57 -5.513 -2.089 -8.731 1.00 0.00 C ATOM 816 O TRP A 57 -5.961 -0.956 -8.549 1.00 0.00 O ATOM 817 CB TRP A 57 -3.249 -1.496 -9.612 1.00 0.00 C ATOM 818 CG TRP A 57 -2.553 -1.777 -8.315 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.573 -2.703 -8.095 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.786 -1.130 -7.060 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.183 -2.670 -6.777 1.00 0.00 N ATOM 822 CE2 TRP A 57 -1.911 -1.712 -6.122 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.646 -0.113 -6.637 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -1.875 -1.312 -4.789 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.609 0.283 -5.313 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.728 -0.314 -4.402 1.00 0.00 C ATOM 0 H TRP A 57 -5.482 -1.167 -11.249 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.210 -3.409 -9.791 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.552 -1.661 -10.433 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.534 -0.444 -9.643 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.165 -3.364 -8.846 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.468 -3.263 -6.355 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.327 0.355 -7.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.198 -1.773 -4.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.271 1.067 -4.975 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.722 0.020 -3.375 1.00 0.00 H new ATOM 837 N TYR A 58 -5.876 -3.136 -7.999 1.00 0.00 N ATOM 838 CA TYR A 58 -6.846 -3.013 -6.917 1.00 0.00 C ATOM 839 C TYR A 58 -6.154 -3.056 -5.558 1.00 0.00 C ATOM 840 O TYR A 58 -5.593 -4.080 -5.166 1.00 0.00 O ATOM 841 CB TYR A 58 -7.887 -4.130 -7.007 1.00 0.00 C ATOM 842 CG TYR A 58 -8.909 -3.918 -8.102 1.00 0.00 C ATOM 843 CD1 TYR A 58 -9.803 -2.855 -8.049 1.00 0.00 C ATOM 844 CD2 TYR A 58 -8.979 -4.779 -9.189 1.00 0.00 C ATOM 845 CE1 TYR A 58 -10.738 -2.659 -9.046 1.00 0.00 C ATOM 846 CE2 TYR A 58 -9.910 -4.589 -10.192 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.788 -3.528 -10.115 1.00 0.00 C ATOM 848 OH TYR A 58 -11.717 -3.335 -11.112 1.00 0.00 O ATOM 0 H TYR A 58 -5.513 -4.080 -8.135 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.347 -2.050 -7.020 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.377 -5.078 -7.176 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.403 -4.212 -6.051 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.766 -2.171 -7.214 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.294 -5.612 -9.252 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.427 -1.829 -8.989 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.950 -5.267 -11.031 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.914 -2.379 -11.195 1.00 0.00 H new ATOM 858 N CYS A 59 -6.198 -1.938 -4.842 1.00 0.00 N ATOM 859 CA CYS A 59 -5.577 -1.845 -3.527 1.00 0.00 C ATOM 860 C CYS A 59 -5.838 -3.109 -2.712 1.00 0.00 C ATOM 861 O CYS A 59 -6.817 -3.823 -2.925 1.00 0.00 O ATOM 862 CB CYS A 59 -6.105 -0.622 -2.775 1.00 0.00 C ATOM 863 SG CYS A 59 -7.716 -0.885 -1.966 1.00 0.00 S ATOM 0 H CYS A 59 -6.658 -1.082 -5.151 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.501 -1.740 -3.668 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.375 -0.330 -2.020 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.193 0.211 -3.473 1.00 0.00 H new ATOM 868 N PRO A 60 -4.940 -3.392 -1.756 1.00 0.00 N ATOM 869 CA PRO A 60 -5.052 -4.569 -0.890 1.00 0.00 C ATOM 870 C PRO A 60 -6.211 -4.456 0.095 1.00 0.00 C ATOM 871 O PRO A 60 -6.498 -5.392 0.842 1.00 0.00 O ATOM 872 CB PRO A 60 -3.716 -4.587 -0.143 1.00 0.00 C ATOM 873 CG PRO A 60 -3.257 -3.170 -0.153 1.00 0.00 C ATOM 874 CD PRO A 60 -3.748 -2.585 -1.448 1.00 0.00 C ATOM 0 HA PRO A 60 -5.251 -5.477 -1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.837 -4.957 0.875 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.996 -5.240 -0.636 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.660 -2.623 0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.171 -3.111 -0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.994 -1.528 -1.344 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.997 -2.662 -2.234 1.00 0.00 H new ATOM 882 N LYS A 61 -6.875 -3.305 0.091 1.00 0.00 N ATOM 883 CA LYS A 61 -8.004 -3.070 0.982 1.00 0.00 C ATOM 884 C LYS A 61 -9.318 -3.459 0.310 1.00 0.00 C ATOM 885 O LYS A 61 -10.302 -3.768 0.982 1.00 0.00 O ATOM 886 CB LYS A 61 -8.051 -1.599 1.403 1.00 0.00 C ATOM 887 CG LYS A 61 -7.319 -1.316 2.703 1.00 0.00 C ATOM 888 CD LYS A 61 -8.241 -1.452 3.903 1.00 0.00 C ATOM 889 CE LYS A 61 -8.230 -2.868 4.457 1.00 0.00 C ATOM 890 NZ LYS A 61 -9.195 -3.750 3.742 1.00 0.00 N ATOM 0 H LYS A 61 -6.650 -2.520 -0.520 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.871 -3.691 1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.617 -0.989 0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.092 -1.293 1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.481 -2.005 2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.902 -0.309 2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.933 -0.754 4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.257 -1.181 3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.226 -3.284 4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.477 -2.845 5.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.934 -4.064 4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.632 -3.223 2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.693 -4.579 3.364 1.00 0.00 H new ATOM 904 N CYS A 62 -9.325 -3.442 -1.019 1.00 0.00 N ATOM 905 CA CYS A 62 -10.516 -3.794 -1.782 1.00 0.00 C ATOM 906 C CYS A 62 -10.478 -5.259 -2.206 1.00 0.00 C ATOM 907 O CYS A 62 -11.396 -6.025 -1.913 1.00 0.00 O ATOM 908 CB CYS A 62 -10.640 -2.897 -3.015 1.00 0.00 C ATOM 909 SG CYS A 62 -10.923 -1.139 -2.632 1.00 0.00 S ATOM 0 H CYS A 62 -8.519 -3.188 -1.590 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.385 -3.643 -1.142 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.730 -2.986 -3.609 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.461 -3.260 -3.633 1.00 0.00 H new ATOM 914 N ARG A 63 -9.409 -5.641 -2.896 1.00 0.00 N ATOM 915 CA ARG A 63 -9.250 -7.014 -3.362 1.00 0.00 C ATOM 916 C ARG A 63 -9.345 -7.997 -2.198 1.00 0.00 C ATOM 917 O ARG A 63 -9.818 -9.121 -2.359 1.00 0.00 O ATOM 918 CB ARG A 63 -7.908 -7.181 -4.076 1.00 0.00 C ATOM 919 CG ARG A 63 -6.707 -7.059 -3.153 1.00 0.00 C ATOM 920 CD ARG A 63 -6.303 -8.409 -2.583 1.00 0.00 C ATOM 921 NE ARG A 63 -5.817 -9.318 -3.618 1.00 0.00 N ATOM 922 CZ ARG A 63 -4.571 -9.310 -4.076 1.00 0.00 C ATOM 923 NH1 ARG A 63 -3.688 -8.447 -3.592 1.00 0.00 N ATOM 924 NH2 ARG A 63 -4.204 -10.168 -5.019 1.00 0.00 N ATOM 0 H ARG A 63 -8.640 -5.019 -3.145 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.056 -7.229 -4.064 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.884 -8.156 -4.562 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.829 -6.430 -4.862 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.868 -6.628 -3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.941 -6.374 -2.338 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.526 -8.267 -1.832 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.157 -8.859 -2.077 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.471 -9.996 -4.010 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.965 -7.787 -2.866 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.731 -8.443 -3.946 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.879 -10.835 -5.393 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.246 -10.161 -5.370 1.00 0.00 H new ATOM 938 N GLY A 64 -8.891 -7.564 -1.026 1.00 0.00 N ATOM 939 CA GLY A 64 -8.933 -8.417 0.147 1.00 0.00 C ATOM 940 C GLY A 64 -10.298 -9.040 0.363 1.00 0.00 C ATOM 941 O GLY A 64 -10.404 -10.223 0.685 1.00 0.00 O ATOM 0 H GLY A 64 -8.495 -6.637 -0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.189 -9.207 0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.660 -7.834 1.026 1.00 0.00 H new ATOM 945 N ASP A 65 -11.345 -8.242 0.186 1.00 0.00 N ATOM 946 CA ASP A 65 -12.710 -8.721 0.364 1.00 0.00 C ATOM 947 C ASP A 65 -13.574 -8.361 -0.841 1.00 0.00 C ATOM 948 O ASP A 65 -13.903 -7.194 -1.054 1.00 0.00 O ATOM 949 CB ASP A 65 -13.319 -8.132 1.638 1.00 0.00 C ATOM 950 CG ASP A 65 -14.592 -8.842 2.054 1.00 0.00 C ATOM 951 OD1 ASP A 65 -15.552 -8.855 1.255 1.00 0.00 O ATOM 952 OD2 ASP A 65 -14.628 -9.385 3.178 1.00 0.00 O ATOM 0 H ASP A 65 -11.274 -7.260 -0.081 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.678 -9.807 0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.591 -8.194 2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.531 -7.075 1.480 1.00 0.00 H new ATOM 957 N SER A 66 -13.937 -9.371 -1.625 1.00 0.00 N ATOM 958 CA SER A 66 -14.758 -9.160 -2.812 1.00 0.00 C ATOM 959 C SER A 66 -16.164 -9.716 -2.605 1.00 0.00 C ATOM 960 O SER A 66 -16.342 -10.908 -2.357 1.00 0.00 O ATOM 961 CB SER A 66 -14.110 -9.820 -4.030 1.00 0.00 C ATOM 962 OG SER A 66 -14.054 -11.228 -3.878 1.00 0.00 O ATOM 0 H SER A 66 -13.676 -10.343 -1.460 1.00 0.00 H new ATOM 0 HA SER A 66 -14.832 -8.087 -2.987 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.676 -9.570 -4.927 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.103 -9.426 -4.169 1.00 0.00 H new ATOM 0 HG SER A 66 -14.776 -11.522 -3.284 1.00 0.00 H new ATOM 968 N GLY A 67 -17.160 -8.842 -2.709 1.00 0.00 N ATOM 969 CA GLY A 67 -18.538 -9.263 -2.531 1.00 0.00 C ATOM 970 C GLY A 67 -19.527 -8.162 -2.858 1.00 0.00 C ATOM 971 O GLY A 67 -20.347 -8.285 -3.768 1.00 0.00 O ATOM 0 H GLY A 67 -17.038 -7.850 -2.913 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -18.736 -10.126 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.686 -9.586 -1.500 1.00 0.00 H new ATOM 975 N PRO A 68 -19.459 -7.056 -2.102 1.00 0.00 N ATOM 976 CA PRO A 68 -20.349 -5.908 -2.296 1.00 0.00 C ATOM 977 C PRO A 68 -20.055 -5.159 -3.592 1.00 0.00 C ATOM 978 O PRO A 68 -20.749 -4.203 -3.938 1.00 0.00 O ATOM 979 CB PRO A 68 -20.052 -5.019 -1.086 1.00 0.00 C ATOM 980 CG PRO A 68 -18.663 -5.379 -0.684 1.00 0.00 C ATOM 981 CD PRO A 68 -18.506 -6.841 -0.999 1.00 0.00 C ATOM 0 HA PRO A 68 -21.393 -6.211 -2.373 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -20.129 -3.962 -1.343 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -20.759 -5.203 -0.277 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.932 -4.782 -1.229 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -18.502 -5.189 0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -17.485 -7.081 -1.297 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -18.741 -7.465 -0.137 1.00 0.00 H new ATOM 989 N SER A 69 -19.023 -5.600 -4.303 1.00 0.00 N ATOM 990 CA SER A 69 -18.635 -4.969 -5.560 1.00 0.00 C ATOM 991 C SER A 69 -19.478 -5.498 -6.716 1.00 0.00 C ATOM 992 O SER A 69 -18.971 -5.722 -7.816 1.00 0.00 O ATOM 993 CB SER A 69 -17.151 -5.213 -5.841 1.00 0.00 C ATOM 994 OG SER A 69 -16.747 -4.574 -7.039 1.00 0.00 O ATOM 0 H SER A 69 -18.440 -6.392 -4.031 1.00 0.00 H new ATOM 0 HA SER A 69 -18.808 -3.897 -5.469 1.00 0.00 H new ATOM 0 HB2 SER A 69 -16.554 -4.842 -5.008 1.00 0.00 H new ATOM 0 HB3 SER A 69 -16.963 -6.284 -5.915 1.00 0.00 H new ATOM 0 HG SER A 69 -17.337 -4.849 -7.771 1.00 0.00 H new ATOM 1000 N SER A 70 -20.767 -5.696 -6.459 1.00 0.00 N ATOM 1001 CA SER A 70 -21.680 -6.203 -7.476 1.00 0.00 C ATOM 1002 C SER A 70 -21.879 -5.177 -8.588 1.00 0.00 C ATOM 1003 O SER A 70 -21.452 -4.029 -8.472 1.00 0.00 O ATOM 1004 CB SER A 70 -23.029 -6.560 -6.849 1.00 0.00 C ATOM 1005 OG SER A 70 -22.864 -7.443 -5.753 1.00 0.00 O ATOM 0 H SER A 70 -21.202 -5.513 -5.555 1.00 0.00 H new ATOM 0 HA SER A 70 -21.239 -7.101 -7.909 1.00 0.00 H new ATOM 0 HB2 SER A 70 -23.531 -5.651 -6.516 1.00 0.00 H new ATOM 0 HB3 SER A 70 -23.671 -7.022 -7.599 1.00 0.00 H new ATOM 0 HG SER A 70 -23.740 -7.655 -5.369 1.00 0.00 H new ATOM 1011 N GLY A 71 -22.530 -5.601 -9.667 1.00 0.00 N ATOM 1012 CA GLY A 71 -22.774 -4.708 -10.784 1.00 0.00 C ATOM 1013 C GLY A 71 -22.717 -5.422 -12.120 1.00 0.00 C ATOM 1014 O GLY A 71 -21.690 -6.023 -12.434 1.00 0.00 O ATOM 0 H GLY A 71 -22.893 -6.547 -9.787 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -23.752 -4.242 -10.666 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -22.036 -3.906 -10.772 1.00 0.00 H new TER 1018 GLY A 71 HETATM 1019 ZN ZN A 201 2.325 3.584 2.992 1.00 0.00 ZN HETATM 1020 ZN ZN A 401 -9.216 0.299 -3.292 1.00 0.00 ZN