USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 249 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 150:sc= 0 USER MOD Single : A 18 MET CE :methyl -163:sc= 0 (180deg=-0.0148) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -65:sc= 0.415 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=-0.012) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 170:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.848 27.766 9.762 1.00 0.00 N ATOM 2 CA MET A 1 0.875 28.048 10.854 1.00 0.00 C ATOM 3 C MET A 1 -0.507 28.424 10.309 1.00 0.00 C ATOM 4 O MET A 1 -0.641 29.437 9.617 1.00 0.00 O ATOM 5 CB MET A 1 1.442 28.985 11.935 1.00 0.00 C ATOM 6 CG MET A 1 2.208 28.445 13.137 1.00 0.00 C ATOM 7 SD MET A 1 2.504 29.681 14.422 1.00 0.00 S ATOM 8 CE MET A 1 1.381 29.245 15.749 1.00 0.00 C ATOM 0 H1 MET A 1 2.770 27.516 10.174 1.00 0.00 H new ATOM 0 H2 MET A 1 1.501 26.974 9.184 1.00 0.00 H new ATOM 0 H3 MET A 1 1.954 28.611 9.165 1.00 0.00 H new ATOM 0 HA MET A 1 0.707 27.117 11.395 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.103 29.689 11.429 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.603 29.560 12.327 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.652 27.612 13.567 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.165 28.048 12.799 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.499 29.950 16.572 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.355 29.281 15.384 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.606 28.238 16.100 1.00 0.00 H new ATOM 18 N ILE A 2 -1.283 27.336 10.213 1.00 0.00 N ATOM 19 CA ILE A 2 -2.694 27.224 9.816 1.00 0.00 C ATOM 20 C ILE A 2 -3.512 26.283 10.726 1.00 0.00 C ATOM 21 O ILE A 2 -2.994 25.294 11.256 1.00 0.00 O ATOM 22 CB ILE A 2 -2.843 27.077 8.271 1.00 0.00 C ATOM 23 CG1 ILE A 2 -4.036 27.844 7.678 1.00 0.00 C ATOM 24 CG2 ILE A 2 -2.693 25.719 7.586 1.00 0.00 C ATOM 25 CD1 ILE A 2 -3.814 29.197 7.022 1.00 0.00 C ATOM 0 H ILE A 2 -0.898 26.418 10.434 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.198 28.170 10.014 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.898 27.556 8.016 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.503 27.196 6.936 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.762 27.986 8.479 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.833 25.836 6.511 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.697 25.321 7.781 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.442 25.030 7.977 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.766 29.588 6.662 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.390 29.889 7.750 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.127 29.086 6.183 1.00 0.00 H new ATOM 36 N SER A 3 -4.737 26.728 11.042 1.00 0.00 N ATOM 37 CA SER A 3 -5.933 26.044 11.564 1.00 0.00 C ATOM 38 C SER A 3 -6.732 25.106 10.631 1.00 0.00 C ATOM 39 O SER A 3 -7.816 24.660 11.025 1.00 0.00 O ATOM 40 CB SER A 3 -6.755 27.157 12.243 1.00 0.00 C ATOM 41 OG SER A 3 -6.385 27.429 13.586 1.00 0.00 O ATOM 0 H SER A 3 -4.941 27.720 10.919 1.00 0.00 H new ATOM 0 HA SER A 3 -5.613 25.267 12.258 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.654 28.072 11.660 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.809 26.878 12.219 1.00 0.00 H new ATOM 0 HG SER A 3 -6.951 28.146 13.942 1.00 0.00 H new ATOM 46 N ASP A 4 -5.995 24.439 9.721 1.00 0.00 N ATOM 47 CA ASP A 4 -6.356 23.574 8.580 1.00 0.00 C ATOM 48 C ASP A 4 -5.454 22.325 8.466 1.00 0.00 C ATOM 49 O ASP A 4 -4.276 22.416 8.824 1.00 0.00 O ATOM 50 CB ASP A 4 -6.370 24.296 7.215 1.00 0.00 C ATOM 51 CG ASP A 4 -7.367 25.396 6.878 1.00 0.00 C ATOM 52 OD1 ASP A 4 -8.581 25.125 6.763 1.00 0.00 O ATOM 53 OD2 ASP A 4 -6.923 26.529 6.590 1.00 0.00 O ATOM 0 H ASP A 4 -4.979 24.506 9.781 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.377 23.269 8.811 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.377 24.724 7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.491 23.523 6.456 1.00 0.00 H new ATOM 57 N GLU A 5 -5.988 21.159 8.054 1.00 0.00 N ATOM 58 CA GLU A 5 -5.312 19.888 7.730 1.00 0.00 C ATOM 59 C GLU A 5 -4.935 19.648 6.255 1.00 0.00 C ATOM 60 O GLU A 5 -5.753 19.828 5.346 1.00 0.00 O ATOM 61 CB GLU A 5 -5.937 18.631 8.371 1.00 0.00 C ATOM 62 CG GLU A 5 -5.485 18.165 9.754 1.00 0.00 C ATOM 63 CD GLU A 5 -6.104 18.755 11.011 1.00 0.00 C ATOM 64 OE1 GLU A 5 -5.541 19.720 11.568 1.00 0.00 O ATOM 65 OE2 GLU A 5 -7.042 18.132 11.554 1.00 0.00 O ATOM 0 H GLU A 5 -6.997 21.075 7.928 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.357 20.056 8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.013 18.796 8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.774 17.802 7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.639 17.087 9.796 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.410 18.336 9.815 1.00 0.00 H new ATOM 70 N GLN A 6 -3.599 19.703 6.141 1.00 0.00 N ATOM 71 CA GLN A 6 -2.644 19.575 5.024 1.00 0.00 C ATOM 72 C GLN A 6 -1.808 18.275 4.984 1.00 0.00 C ATOM 73 O GLN A 6 -1.415 17.950 3.861 1.00 0.00 O ATOM 74 CB GLN A 6 -1.959 20.979 5.039 1.00 0.00 C ATOM 75 CG GLN A 6 -0.865 21.546 5.950 1.00 0.00 C ATOM 76 CD GLN A 6 -0.234 22.921 5.715 1.00 0.00 C ATOM 77 OE1 GLN A 6 -0.773 23.895 5.182 1.00 0.00 O ATOM 78 NE2 GLN A 6 0.922 23.100 6.345 1.00 0.00 N ATOM 0 H GLN A 6 -3.067 19.870 6.995 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.083 19.384 4.045 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.560 21.096 4.031 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.786 21.682 5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.275 21.559 6.960 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.049 20.823 5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 6 1.386 22.310 6.793 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.345 24.027 6.381 1.00 0.00 H new ATOM 85 N LEU A 7 -1.981 17.327 5.926 1.00 0.00 N ATOM 86 CA LEU A 7 -1.514 15.931 6.061 1.00 0.00 C ATOM 87 C LEU A 7 -1.967 14.869 5.023 1.00 0.00 C ATOM 88 O LEU A 7 -1.735 13.666 5.182 1.00 0.00 O ATOM 89 CB LEU A 7 -1.753 15.542 7.534 1.00 0.00 C ATOM 90 CG LEU A 7 -0.943 15.974 8.776 1.00 0.00 C ATOM 91 CD1 LEU A 7 0.395 15.282 8.995 1.00 0.00 C ATOM 92 CD2 LEU A 7 -0.828 17.447 9.162 1.00 0.00 C ATOM 0 H LEU A 7 -2.544 17.565 6.742 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.458 15.920 5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.779 15.844 7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.733 14.452 7.547 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.680 15.579 9.475 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.864 15.673 9.898 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.236 14.209 9.104 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.045 15.467 8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.219 17.541 10.061 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.361 18.001 8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.822 17.852 9.353 1.00 0.00 H new ATOM 103 N ASN A 8 -2.650 15.306 3.956 1.00 0.00 N ATOM 104 CA ASN A 8 -2.715 14.879 2.542 1.00 0.00 C ATOM 105 C ASN A 8 -1.419 14.882 1.700 1.00 0.00 C ATOM 106 O ASN A 8 -1.336 14.089 0.757 1.00 0.00 O ATOM 107 CB ASN A 8 -3.851 15.715 1.914 1.00 0.00 C ATOM 108 CG ASN A 8 -4.933 15.051 1.053 1.00 0.00 C ATOM 109 OD1 ASN A 8 -4.841 13.943 0.516 1.00 0.00 O ATOM 110 ND2 ASN A 8 -5.868 15.861 0.563 1.00 0.00 N ATOM 0 H ASN A 8 -3.275 16.101 4.086 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.904 13.806 2.536 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.361 16.226 2.730 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.381 16.484 1.301 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.456 15.552 -0.211 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.997 16.791 0.961 1.00 0.00 H new ATOM 116 N SER A 9 -0.356 15.581 2.127 1.00 0.00 N ATOM 117 CA SER A 9 1.065 15.446 1.760 1.00 0.00 C ATOM 118 C SER A 9 1.815 14.185 2.205 1.00 0.00 C ATOM 119 O SER A 9 2.715 13.831 1.437 1.00 0.00 O ATOM 120 CB SER A 9 1.826 16.709 2.181 1.00 0.00 C ATOM 121 OG SER A 9 2.733 17.339 1.295 1.00 0.00 O ATOM 0 H SER A 9 -0.482 16.331 2.807 1.00 0.00 H new ATOM 0 HA SER A 9 1.037 15.323 0.677 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.081 17.454 2.459 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.382 16.461 3.085 1.00 0.00 H new ATOM 0 HG SER A 9 3.122 18.126 1.730 1.00 0.00 H new ATOM 126 N LEU A 10 1.238 13.411 3.140 1.00 0.00 N ATOM 127 CA LEU A 10 1.306 11.961 3.358 1.00 0.00 C ATOM 128 C LEU A 10 0.558 11.074 2.352 1.00 0.00 C ATOM 129 O LEU A 10 1.298 10.295 1.756 1.00 0.00 O ATOM 130 CB LEU A 10 1.137 11.693 4.863 1.00 0.00 C ATOM 131 CG LEU A 10 0.714 10.399 5.586 1.00 0.00 C ATOM 132 CD1 LEU A 10 1.398 10.167 6.930 1.00 0.00 C ATOM 133 CD2 LEU A 10 -0.787 10.404 5.835 1.00 0.00 C ATOM 0 H LEU A 10 0.641 13.843 3.845 1.00 0.00 H new ATOM 0 HA LEU A 10 2.298 11.597 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.101 11.952 5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.423 12.444 5.199 1.00 0.00 H new ATOM 0 HG LEU A 10 1.021 9.595 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.039 9.234 7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.477 10.108 6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.168 10.993 7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.074 9.485 6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.050 11.261 6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.314 10.469 4.883 1.00 0.00 H new ATOM 144 N ALA A 11 -0.702 11.292 1.954 1.00 0.00 N ATOM 145 CA ALA A 11 -1.506 10.476 1.032 1.00 0.00 C ATOM 146 C ALA A 11 -1.104 10.316 -0.447 1.00 0.00 C ATOM 147 O ALA A 11 -1.428 9.281 -1.038 1.00 0.00 O ATOM 148 CB ALA A 11 -2.908 11.044 1.110 1.00 0.00 C ATOM 0 H ALA A 11 -1.224 12.101 2.291 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.360 9.453 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.565 10.483 0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.275 10.968 2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.894 12.091 0.807 1.00 0.00 H new ATOM 154 N ILE A 12 -0.063 11.091 -0.771 1.00 0.00 N ATOM 155 CA ILE A 12 0.886 11.062 -1.895 1.00 0.00 C ATOM 156 C ILE A 12 2.209 10.396 -1.455 1.00 0.00 C ATOM 157 O ILE A 12 2.234 9.221 -1.822 1.00 0.00 O ATOM 158 CB ILE A 12 0.836 12.407 -2.693 1.00 0.00 C ATOM 159 CG1 ILE A 12 -0.102 12.607 -3.906 1.00 0.00 C ATOM 160 CG2 ILE A 12 2.124 13.049 -3.207 1.00 0.00 C ATOM 161 CD1 ILE A 12 -1.585 12.855 -3.732 1.00 0.00 C ATOM 0 H ILE A 12 0.168 11.872 -0.157 1.00 0.00 H new ATOM 0 HA ILE A 12 0.616 10.387 -2.707 1.00 0.00 H new ATOM 0 HB ILE A 12 0.439 12.867 -1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.294 13.447 -4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.001 11.721 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.885 13.973 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.781 13.271 -2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.626 12.362 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.052 12.967 -4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.036 12.012 -3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.736 13.765 -3.152 1.00 0.00 H new ATOM 172 N THR A 13 2.991 10.827 -0.446 1.00 0.00 N ATOM 173 CA THR A 13 4.260 10.284 0.095 1.00 0.00 C ATOM 174 C THR A 13 4.364 8.776 0.405 1.00 0.00 C ATOM 175 O THR A 13 4.901 8.075 -0.454 1.00 0.00 O ATOM 176 CB THR A 13 4.903 11.348 1.034 1.00 0.00 C ATOM 177 OG1 THR A 13 6.229 11.680 0.594 1.00 0.00 O ATOM 178 CG2 THR A 13 4.897 11.539 2.555 1.00 0.00 C ATOM 0 H THR A 13 2.719 11.662 0.073 1.00 0.00 H new ATOM 0 HA THR A 13 4.964 10.149 -0.726 1.00 0.00 H new ATOM 0 HB THR A 13 3.996 11.934 0.885 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.431 12.608 0.836 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.479 12.424 2.813 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.871 11.665 2.902 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.337 10.664 3.033 1.00 0.00 H new ATOM 186 N PHE A 14 3.482 8.354 1.316 1.00 0.00 N ATOM 187 CA PHE A 14 2.815 7.117 1.763 1.00 0.00 C ATOM 188 C PHE A 14 2.046 6.214 0.797 1.00 0.00 C ATOM 189 O PHE A 14 2.307 5.007 0.844 1.00 0.00 O ATOM 190 CB PHE A 14 2.167 7.470 3.119 1.00 0.00 C ATOM 191 CG PHE A 14 0.814 6.997 3.598 1.00 0.00 C ATOM 192 CD1 PHE A 14 -0.302 7.544 2.985 1.00 0.00 C ATOM 193 CD2 PHE A 14 0.624 5.918 4.456 1.00 0.00 C ATOM 194 CE1 PHE A 14 -1.535 6.930 3.099 1.00 0.00 C ATOM 195 CE2 PHE A 14 -0.617 5.310 4.589 1.00 0.00 C ATOM 196 CZ PHE A 14 -1.700 5.791 3.872 1.00 0.00 C ATOM 0 H PHE A 14 3.124 9.090 1.925 1.00 0.00 H new ATOM 0 HA PHE A 14 3.577 6.343 1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.879 7.150 3.880 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.130 8.559 3.155 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.208 8.456 2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.459 5.546 5.030 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.385 7.345 2.577 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.738 4.464 5.250 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.655 5.288 3.914 1.00 0.00 H new ATOM 205 N GLY A 15 1.519 6.873 -0.234 1.00 0.00 N ATOM 206 CA GLY A 15 0.489 6.461 -1.177 1.00 0.00 C ATOM 207 C GLY A 15 0.981 5.882 -2.493 1.00 0.00 C ATOM 208 O GLY A 15 0.425 4.804 -2.712 1.00 0.00 O ATOM 0 H GLY A 15 1.843 7.816 -0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.144 5.719 -0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.141 7.323 -1.396 1.00 0.00 H new ATOM 212 N ILE A 16 2.109 6.348 -3.065 1.00 0.00 N ATOM 213 CA ILE A 16 3.023 5.605 -3.913 1.00 0.00 C ATOM 214 C ILE A 16 3.735 4.381 -3.286 1.00 0.00 C ATOM 215 O ILE A 16 3.792 3.399 -4.037 1.00 0.00 O ATOM 216 CB ILE A 16 3.841 6.455 -4.922 1.00 0.00 C ATOM 217 CG1 ILE A 16 4.624 7.754 -4.651 1.00 0.00 C ATOM 218 CG2 ILE A 16 3.399 6.324 -6.377 1.00 0.00 C ATOM 219 CD1 ILE A 16 3.878 9.035 -4.429 1.00 0.00 C ATOM 0 H ILE A 16 2.412 7.313 -2.931 1.00 0.00 H new ATOM 0 HA ILE A 16 2.330 5.082 -4.572 1.00 0.00 H new ATOM 0 HB ILE A 16 4.694 5.875 -4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.246 7.583 -3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.298 7.911 -5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.028 6.954 -7.006 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.493 5.285 -6.694 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.360 6.640 -6.471 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.588 9.844 -4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.278 9.264 -5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.226 8.931 -3.562 1.00 0.00 H new ATOM 230 N VAL A 17 3.952 4.303 -1.945 1.00 0.00 N ATOM 231 CA VAL A 17 4.408 3.201 -1.083 1.00 0.00 C ATOM 232 C VAL A 17 3.326 2.173 -0.699 1.00 0.00 C ATOM 233 O VAL A 17 3.694 0.990 -0.712 1.00 0.00 O ATOM 234 CB VAL A 17 5.233 3.613 0.174 1.00 0.00 C ATOM 235 CG1 VAL A 17 6.605 2.967 0.267 1.00 0.00 C ATOM 236 CG2 VAL A 17 5.751 5.036 0.228 1.00 0.00 C ATOM 0 H VAL A 17 3.785 5.132 -1.375 1.00 0.00 H new ATOM 0 HA VAL A 17 5.103 2.703 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 17 4.482 3.351 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.108 3.310 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.495 1.883 0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.197 3.244 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.306 5.186 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.408 5.216 -0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.912 5.730 0.191 1.00 0.00 H new ATOM 246 N MET A 18 2.076 2.588 -0.381 1.00 0.00 N ATOM 247 CA MET A 18 0.813 1.835 -0.348 1.00 0.00 C ATOM 248 C MET A 18 0.308 1.240 -1.672 1.00 0.00 C ATOM 249 O MET A 18 0.083 0.029 -1.617 1.00 0.00 O ATOM 250 CB MET A 18 -0.248 2.724 0.309 1.00 0.00 C ATOM 251 CG MET A 18 -0.599 2.579 1.792 1.00 0.00 C ATOM 252 SD MET A 18 -2.192 1.894 2.309 1.00 0.00 S ATOM 253 CE MET A 18 -3.548 3.001 1.911 1.00 0.00 C ATOM 0 H MET A 18 1.919 3.560 -0.115 1.00 0.00 H new ATOM 0 HA MET A 18 1.020 0.936 0.232 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.064 3.757 0.156 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.172 2.583 -0.252 1.00 0.00 H new ATOM 0 HG2 MET A 18 0.176 1.961 2.245 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.518 3.570 2.238 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.429 2.718 2.486 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.266 4.025 2.158 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.773 2.933 0.847 1.00 0.00 H new ATOM 261 N MET A 19 0.480 1.903 -2.830 1.00 0.00 N ATOM 262 CA MET A 19 0.180 1.501 -4.203 1.00 0.00 C ATOM 263 C MET A 19 1.116 0.441 -4.795 1.00 0.00 C ATOM 264 O MET A 19 0.523 -0.510 -5.311 1.00 0.00 O ATOM 265 CB MET A 19 0.011 2.730 -5.134 1.00 0.00 C ATOM 266 CG MET A 19 -1.241 3.603 -5.197 1.00 0.00 C ATOM 267 SD MET A 19 -1.221 5.011 -6.332 1.00 0.00 S ATOM 268 CE MET A 19 -2.637 5.941 -5.740 1.00 0.00 C ATOM 0 H MET A 19 0.879 2.841 -2.816 1.00 0.00 H new ATOM 0 HA MET A 19 -0.781 0.990 -4.139 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.836 3.402 -4.899 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.176 2.365 -6.148 1.00 0.00 H new ATOM 0 HG2 MET A 19 -2.083 2.965 -5.467 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.437 3.982 -4.194 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.758 6.842 -6.341 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.535 5.328 -5.821 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.480 6.219 -4.698 1.00 0.00 H new ATOM 276 N THR A 20 2.336 0.336 -4.246 1.00 0.00 N ATOM 277 CA THR A 20 3.292 -0.767 -4.351 1.00 0.00 C ATOM 278 C THR A 20 3.101 -1.978 -3.421 1.00 0.00 C ATOM 279 O THR A 20 3.199 -3.056 -4.005 1.00 0.00 O ATOM 280 CB THR A 20 4.772 -0.315 -4.316 1.00 0.00 C ATOM 281 OG1 THR A 20 5.100 0.747 -3.406 1.00 0.00 O ATOM 282 CG2 THR A 20 5.400 0.041 -5.663 1.00 0.00 C ATOM 0 H THR A 20 2.707 1.089 -3.667 1.00 0.00 H new ATOM 0 HA THR A 20 3.038 -1.135 -5.345 1.00 0.00 H new ATOM 0 HB THR A 20 5.205 -1.244 -3.946 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.639 1.567 -3.681 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.437 0.342 -5.513 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.366 -0.827 -6.321 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.846 0.862 -6.117 1.00 0.00 H new ATOM 290 N LEU A 21 2.600 -1.852 -2.181 1.00 0.00 N ATOM 291 CA LEU A 21 2.122 -2.849 -1.199 1.00 0.00 C ATOM 292 C LEU A 21 0.727 -3.456 -1.450 1.00 0.00 C ATOM 293 O LEU A 21 0.712 -4.679 -1.300 1.00 0.00 O ATOM 294 CB LEU A 21 2.298 -2.420 0.271 1.00 0.00 C ATOM 295 CG LEU A 21 3.328 -2.972 1.270 1.00 0.00 C ATOM 296 CD1 LEU A 21 3.217 -2.193 2.572 1.00 0.00 C ATOM 297 CD2 LEU A 21 3.216 -4.422 1.710 1.00 0.00 C ATOM 0 H LEU A 21 2.507 -0.916 -1.786 1.00 0.00 H new ATOM 0 HA LEU A 21 2.811 -3.673 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.468 -1.344 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.326 -2.577 0.739 1.00 0.00 H new ATOM 0 HG LEU A 21 4.256 -2.877 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.944 -2.576 3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.416 -1.138 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.212 -2.306 2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.016 -4.652 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.252 -4.582 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.300 -5.074 0.840 1.00 0.00 H new ATOM 308 N ILE A 22 -0.228 -2.792 -2.134 1.00 0.00 N ATOM 309 CA ILE A 22 -1.536 -3.221 -2.671 1.00 0.00 C ATOM 310 C ILE A 22 -1.540 -4.163 -3.883 1.00 0.00 C ATOM 311 O ILE A 22 -2.272 -5.156 -3.879 1.00 0.00 O ATOM 312 CB ILE A 22 -2.643 -2.147 -2.684 1.00 0.00 C ATOM 313 CG1 ILE A 22 -4.088 -2.551 -2.949 1.00 0.00 C ATOM 314 CG2 ILE A 22 -2.415 -0.816 -3.340 1.00 0.00 C ATOM 315 CD1 ILE A 22 -5.018 -2.915 -1.818 1.00 0.00 C ATOM 0 H ILE A 22 -0.077 -1.807 -2.352 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.838 -3.903 -1.876 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.503 -2.014 -1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.554 -1.729 -3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.061 -3.405 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.311 -0.204 -3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.577 -0.312 -2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.191 -0.965 -4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.998 -3.171 -2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.614 -3.770 -1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.115 -2.067 -1.139 1.00 0.00 H new ATOM 326 N VAL A 23 -0.703 -3.814 -4.870 1.00 0.00 N ATOM 327 CA VAL A 23 -0.267 -4.473 -6.095 1.00 0.00 C ATOM 328 C VAL A 23 0.716 -5.618 -5.783 1.00 0.00 C ATOM 329 O VAL A 23 0.748 -6.572 -6.570 1.00 0.00 O ATOM 330 CB VAL A 23 0.225 -3.309 -6.990 1.00 0.00 C ATOM 331 CG1 VAL A 23 0.780 -3.838 -8.303 1.00 0.00 C ATOM 332 CG2 VAL A 23 -0.835 -2.418 -7.631 1.00 0.00 C ATOM 0 H VAL A 23 -0.244 -2.906 -4.805 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.039 -5.015 -6.642 1.00 0.00 H new ATOM 0 HB VAL A 23 0.874 -2.792 -6.283 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.120 -3.004 -8.917 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.618 -4.505 -8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.000 -4.385 -8.834 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.349 -1.647 -8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.479 -3.021 -8.271 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.435 -1.948 -6.852 1.00 0.00 H new ATOM 342 N ILE A 24 1.321 -5.581 -4.580 1.00 0.00 N ATOM 343 CA ILE A 24 2.053 -6.632 -3.870 1.00 0.00 C ATOM 344 C ILE A 24 1.309 -7.664 -2.998 1.00 0.00 C ATOM 345 O ILE A 24 1.578 -8.862 -3.130 1.00 0.00 O ATOM 346 CB ILE A 24 3.496 -6.129 -3.580 1.00 0.00 C ATOM 347 CG1 ILE A 24 4.731 -6.511 -4.405 1.00 0.00 C ATOM 348 CG2 ILE A 24 3.991 -6.284 -2.160 1.00 0.00 C ATOM 349 CD1 ILE A 24 4.879 -5.835 -5.740 1.00 0.00 C ATOM 0 H ILE A 24 1.303 -4.722 -4.030 1.00 0.00 H new ATOM 0 HA ILE A 24 2.182 -7.511 -4.501 1.00 0.00 H new ATOM 0 HB ILE A 24 3.193 -5.131 -3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.619 -6.293 -3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.713 -7.589 -4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.007 -5.898 -2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.341 -5.728 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.982 -7.339 -1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.789 -6.187 -6.227 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.018 -6.072 -6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.938 -4.756 -5.597 1.00 0.00 H new ATOM 360 N TYR A 25 0.261 -7.178 -2.321 1.00 0.00 N ATOM 361 CA TYR A 25 -0.886 -7.804 -1.639 1.00 0.00 C ATOM 362 C TYR A 25 -1.874 -8.602 -2.514 1.00 0.00 C ATOM 363 O TYR A 25 -1.934 -9.799 -2.225 1.00 0.00 O ATOM 364 CB TYR A 25 -1.376 -6.884 -0.501 1.00 0.00 C ATOM 365 CG TYR A 25 -0.875 -6.934 0.948 1.00 0.00 C ATOM 366 CD1 TYR A 25 0.423 -7.211 1.394 1.00 0.00 C ATOM 367 CD2 TYR A 25 -1.749 -6.499 1.948 1.00 0.00 C ATOM 368 CE1 TYR A 25 0.759 -7.141 2.748 1.00 0.00 C ATOM 369 CE2 TYR A 25 -1.418 -6.391 3.292 1.00 0.00 C ATOM 370 CZ TYR A 25 -0.145 -6.724 3.715 1.00 0.00 C ATOM 371 OH TYR A 25 0.141 -6.720 5.067 1.00 0.00 O ATOM 0 H TYR A 25 0.187 -6.165 -2.223 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.564 -8.704 -1.116 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.200 -5.864 -0.844 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.456 -7.021 -0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.181 -7.485 0.675 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.752 -6.228 1.655 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.757 -7.421 3.053 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.153 -6.048 4.005 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.635 -6.388 5.565 1.00 0.00 H new ATOM 380 N HIS A 26 -2.004 -8.207 -3.789 1.00 0.00 N ATOM 381 CA HIS A 26 -2.523 -8.936 -4.953 1.00 0.00 C ATOM 382 C HIS A 26 -1.703 -10.060 -5.600 1.00 0.00 C ATOM 383 O HIS A 26 -2.292 -10.918 -6.270 1.00 0.00 O ATOM 384 CB HIS A 26 -3.016 -7.840 -5.922 1.00 0.00 C ATOM 385 CG HIS A 26 -3.780 -7.959 -7.212 1.00 0.00 C ATOM 386 ND1 HIS A 26 -5.108 -8.267 -7.406 1.00 0.00 N ATOM 387 CD2 HIS A 26 -3.152 -8.280 -8.353 1.00 0.00 C ATOM 388 CE1 HIS A 26 -5.272 -8.784 -8.613 1.00 0.00 C ATOM 389 NE2 HIS A 26 -4.091 -8.823 -9.208 1.00 0.00 N ATOM 0 H HIS A 26 -1.716 -7.266 -4.057 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.314 -9.595 -4.596 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.626 -7.182 -5.303 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.116 -7.285 -6.187 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.102 -8.139 -8.565 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -6.207 -9.116 -9.038 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -3.905 -9.192 -10.141 1.00 0.00 H new ATOM 397 N ALA A 27 -0.416 -10.116 -5.236 1.00 0.00 N ATOM 398 CA ALA A 27 0.551 -11.180 -5.533 1.00 0.00 C ATOM 399 C ALA A 27 0.774 -12.247 -4.448 1.00 0.00 C ATOM 400 O ALA A 27 0.855 -13.407 -4.860 1.00 0.00 O ATOM 401 CB ALA A 27 1.796 -10.482 -6.071 1.00 0.00 C ATOM 0 H ALA A 27 0.007 -9.367 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 27 0.138 -11.847 -6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.555 -11.226 -6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.539 -9.922 -6.970 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.184 -9.798 -5.316 1.00 0.00 H new ATOM 407 N VAL A 28 0.424 -11.924 -3.194 1.00 0.00 N ATOM 408 CA VAL A 28 0.483 -12.709 -1.957 1.00 0.00 C ATOM 409 C VAL A 28 -0.844 -13.345 -1.503 1.00 0.00 C ATOM 410 O VAL A 28 -0.907 -14.572 -1.613 1.00 0.00 O ATOM 411 CB VAL A 28 1.392 -12.047 -0.880 1.00 0.00 C ATOM 412 CG1 VAL A 28 2.590 -11.264 -1.376 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.022 -11.382 0.441 1.00 0.00 C ATOM 0 H VAL A 28 0.048 -10.995 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 28 1.017 -13.628 -2.197 1.00 0.00 H new ATOM 0 HB VAL A 28 1.462 -13.092 -0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.136 -10.857 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.245 -11.923 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.252 -10.448 -2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.926 -11.029 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.360 -10.537 0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.515 -12.103 1.082 1.00 0.00 H new ATOM 423 N ASP A 29 -1.892 -12.534 -1.288 1.00 0.00 N ATOM 424 CA ASP A 29 -3.279 -12.743 -0.839 1.00 0.00 C ATOM 425 C ASP A 29 -4.246 -13.305 -1.905 1.00 0.00 C ATOM 426 O ASP A 29 -4.878 -14.328 -1.623 1.00 0.00 O ATOM 427 CB ASP A 29 -3.693 -11.382 -0.247 1.00 0.00 C ATOM 428 CG ASP A 29 -4.643 -11.327 0.958 1.00 0.00 C ATOM 429 OD1 ASP A 29 -5.872 -11.199 0.764 1.00 0.00 O ATOM 430 OD2 ASP A 29 -4.200 -11.134 2.117 1.00 0.00 O ATOM 0 H ASP A 29 -1.756 -11.537 -1.457 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.336 -13.543 -0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.779 -10.860 0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.153 -10.806 -1.050 1.00 0.00 H new ATOM 434 N SER A 30 -4.371 -12.666 -3.082 1.00 0.00 N ATOM 435 CA SER A 30 -4.886 -13.079 -4.404 1.00 0.00 C ATOM 436 C SER A 30 -3.965 -13.876 -5.354 1.00 0.00 C ATOM 437 O SER A 30 -2.748 -13.702 -5.253 1.00 0.00 O ATOM 438 CB SER A 30 -5.460 -11.817 -5.061 1.00 0.00 C ATOM 439 OG SER A 30 -6.856 -11.633 -4.900 1.00 0.00 O ATOM 0 H SER A 30 -4.064 -11.695 -3.135 1.00 0.00 H new ATOM 0 HA SER A 30 -5.634 -13.847 -4.209 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.946 -10.948 -4.651 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.235 -11.847 -6.127 1.00 0.00 H new ATOM 0 HG SER A 30 -7.131 -10.806 -5.348 1.00 0.00 H new ATOM 444 N THR A 31 -4.513 -14.722 -6.251 1.00 0.00 N ATOM 445 CA THR A 31 -3.920 -15.805 -7.066 1.00 0.00 C ATOM 446 C THR A 31 -3.233 -15.287 -8.348 1.00 0.00 C ATOM 447 O THR A 31 -3.903 -14.766 -9.248 1.00 0.00 O ATOM 448 CB THR A 31 -4.951 -16.972 -7.199 1.00 0.00 C ATOM 449 OG1 THR A 31 -5.364 -17.437 -5.904 1.00 0.00 O ATOM 450 CG2 THR A 31 -4.629 -18.325 -7.831 1.00 0.00 C ATOM 0 H THR A 31 -5.512 -14.653 -6.446 1.00 0.00 H new ATOM 0 HA THR A 31 -3.064 -16.251 -6.559 1.00 0.00 H new ATOM 0 HB THR A 31 -5.628 -16.435 -7.864 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.122 -18.050 -6.003 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.514 -18.960 -7.801 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.322 -18.179 -8.867 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.821 -18.802 -7.277 1.00 0.00 H new ATOM 458 N MET A 32 -1.940 -15.007 -8.094 1.00 0.00 N ATOM 459 CA MET A 32 -0.788 -14.502 -8.872 1.00 0.00 C ATOM 460 C MET A 32 0.545 -15.241 -8.590 1.00 0.00 C ATOM 461 O MET A 32 0.485 -16.337 -8.026 1.00 0.00 O ATOM 462 CB MET A 32 -0.572 -12.995 -8.626 1.00 0.00 C ATOM 463 CG MET A 32 -1.143 -11.959 -9.591 1.00 0.00 C ATOM 464 SD MET A 32 -0.080 -10.525 -9.894 1.00 0.00 S ATOM 465 CE MET A 32 1.144 -10.956 -11.134 1.00 0.00 C ATOM 0 H MET A 32 -1.620 -15.165 -7.139 1.00 0.00 H new ATOM 0 HA MET A 32 -1.053 -14.693 -9.912 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.975 -12.770 -7.638 1.00 0.00 H new ATOM 0 HB3 MET A 32 0.504 -12.829 -8.577 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.349 -12.447 -10.544 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.098 -11.608 -9.200 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.789 -10.098 -11.323 1.00 0.00 H new ATOM 0 HE2 MET A 32 1.747 -11.791 -10.776 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.641 -11.242 -12.058 1.00 0.00 H new ATOM 473 N SER A 33 1.711 -14.843 -9.140 1.00 0.00 N ATOM 474 CA SER A 33 3.121 -15.045 -8.731 1.00 0.00 C ATOM 475 C SER A 33 3.599 -14.701 -7.300 1.00 0.00 C ATOM 476 O SER A 33 3.100 -13.671 -6.843 1.00 0.00 O ATOM 477 CB SER A 33 3.950 -14.329 -9.818 1.00 0.00 C ATOM 478 OG SER A 33 5.030 -15.115 -10.300 1.00 0.00 O ATOM 0 H SER A 33 1.682 -14.297 -10.001 1.00 0.00 H new ATOM 0 HA SER A 33 3.259 -16.124 -8.658 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.298 -14.068 -10.651 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.340 -13.395 -9.413 1.00 0.00 H new ATOM 0 HG SER A 33 5.519 -14.614 -10.986 1.00 0.00 H new ATOM 483 N PRO A 34 4.207 -15.587 -6.453 1.00 0.00 N ATOM 484 CA PRO A 34 4.998 -15.242 -5.238 1.00 0.00 C ATOM 485 C PRO A 34 6.496 -14.865 -5.266 1.00 0.00 C ATOM 486 O PRO A 34 7.238 -15.446 -6.063 1.00 0.00 O ATOM 487 CB PRO A 34 4.681 -16.335 -4.198 1.00 0.00 C ATOM 488 CG PRO A 34 3.926 -17.431 -4.862 1.00 0.00 C ATOM 489 CD PRO A 34 3.667 -16.952 -6.266 1.00 0.00 C ATOM 0 HA PRO A 34 4.660 -14.232 -5.008 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.604 -16.722 -3.765 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.096 -15.917 -3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.500 -18.357 -4.864 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.992 -17.636 -4.339 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.128 -17.634 -6.981 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.596 -16.957 -6.467 1.00 0.00 H new ATOM 494 N LYS A 35 6.810 -13.736 -4.594 1.00 0.00 N ATOM 495 CA LYS A 35 8.070 -12.994 -4.366 1.00 0.00 C ATOM 496 C LYS A 35 8.595 -13.096 -2.918 1.00 0.00 C ATOM 497 O LYS A 35 9.588 -13.826 -2.849 1.00 0.00 O ATOM 498 CB LYS A 35 7.915 -11.549 -4.898 1.00 0.00 C ATOM 499 CG LYS A 35 8.949 -10.556 -5.447 1.00 0.00 C ATOM 500 CD LYS A 35 9.880 -9.662 -4.633 1.00 0.00 C ATOM 501 CE LYS A 35 9.834 -8.170 -4.917 1.00 0.00 C ATOM 502 NZ LYS A 35 11.034 -7.504 -4.340 1.00 0.00 N ATOM 0 H LYS A 35 6.053 -13.243 -4.119 1.00 0.00 H new ATOM 0 HA LYS A 35 8.866 -13.471 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.177 -11.635 -5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.437 -11.012 -4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.602 -11.144 -6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.388 -9.880 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.655 -9.812 -3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.902 -10.005 -4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.794 -7.997 -5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.928 -7.738 -4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.994 -6.484 -4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.054 -7.656 -3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.893 -7.907 -4.766 1.00 0.00 H new ATOM 512 N ASN A 36 7.848 -12.797 -1.833 1.00 0.00 N ATOM 513 CA ASN A 36 8.310 -12.347 -0.502 1.00 0.00 C ATOM 514 C ASN A 36 8.431 -13.496 0.508 1.00 0.00 C ATOM 515 O ASN A 36 7.436 -14.173 0.849 1.00 0.00 O ATOM 516 CB ASN A 36 7.556 -11.219 0.245 1.00 0.00 C ATOM 517 CG ASN A 36 7.460 -9.886 -0.503 1.00 0.00 C ATOM 518 OD1 ASN A 36 8.320 -8.999 -0.462 1.00 0.00 O ATOM 519 ND2 ASN A 36 6.270 -9.625 -1.034 1.00 0.00 N ATOM 520 OXT ASN A 36 9.566 -13.770 0.951 1.00 0.00 O ATOM 0 H ASN A 36 6.831 -12.869 -1.867 1.00 0.00 H new ATOM 0 HA ASN A 36 9.261 -11.918 -0.819 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.547 -11.565 0.467 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.051 -11.045 1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.070 -8.696 -1.405 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.557 -10.353 -1.070 1.00 0.00 H new TER 526 ASN A 36