USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 571 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 5 THR OG1 : rot 180:sc= -1.39! USER MOD Set 1.2: A 8 GLN : amide:sc= -1.43 X(o=-2.8,f=-2.4) USER MOD Single : A 1 SER N :NH3+ 157:sc= 0.00979 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -1.33! C(o=-1.3!,f=-14!) USER MOD Single : A 13 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.452) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.127) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0312 K(o=-0.031,f=-2!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.773 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -173:sc= -0.197 (180deg=-0.241) USER MOD Single : A 38 SER OG : rot 170:sc= 0 USER MOD Single : A 42 SER OG : rot 100:sc= -3.66! USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 179:sc= -4.63! (180deg=-4.73!) USER MOD Single : A 53 ASN : amide:sc= 0.907 K(o=0.91,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 61 HIS : no HE2:sc= -16.5! C(o=-16!,f=-18!) USER MOD Single : A 62 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.1) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -138:sc= -8.21! (180deg=-9.94!) USER MOD Single : A 73 SER OG : rot 71:sc= 0.432 USER MOD Single : A 75 GLN : amide:sc= -3.05! K(o=-3.1!,f=-1.6) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.366 -5.420 -26.766 1.00 0.00 N ATOM 2 CA SER A 1 -6.689 -5.149 -25.465 1.00 0.00 C ATOM 3 C SER A 1 -7.681 -5.311 -24.309 1.00 0.00 C ATOM 4 O SER A 1 -8.863 -5.073 -24.455 1.00 0.00 O ATOM 5 CB SER A 1 -6.210 -3.702 -25.562 1.00 0.00 C ATOM 6 OG SER A 1 -4.801 -3.686 -25.751 1.00 0.00 O ATOM 0 H1 SER A 1 -6.844 -4.951 -27.533 1.00 0.00 H new ATOM 0 H2 SER A 1 -7.388 -6.445 -26.939 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.339 -5.053 -26.734 1.00 0.00 H new ATOM 0 HA SER A 1 -5.866 -5.838 -25.276 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.706 -3.197 -26.391 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.473 -3.158 -24.655 1.00 0.00 H new ATOM 0 HG SER A 1 -4.490 -2.759 -25.815 1.00 0.00 H new ATOM 14 N SER A 2 -7.207 -5.713 -23.162 1.00 0.00 N ATOM 15 CA SER A 2 -8.123 -5.888 -21.998 1.00 0.00 C ATOM 16 C SER A 2 -7.892 -4.779 -20.970 1.00 0.00 C ATOM 17 O SER A 2 -7.347 -3.737 -21.278 1.00 0.00 O ATOM 18 CB SER A 2 -7.757 -7.251 -21.409 1.00 0.00 C ATOM 19 OG SER A 2 -7.236 -8.082 -22.436 1.00 0.00 O ATOM 0 H SER A 2 -6.227 -5.928 -22.980 1.00 0.00 H new ATOM 0 HA SER A 2 -9.173 -5.837 -22.287 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.021 -7.131 -20.614 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.636 -7.714 -20.961 1.00 0.00 H new ATOM 0 HG SER A 2 -6.999 -8.956 -22.061 1.00 0.00 H new ATOM 25 N ASN A 3 -8.302 -4.992 -19.749 1.00 0.00 N ATOM 26 CA ASN A 3 -8.105 -3.948 -18.703 1.00 0.00 C ATOM 27 C ASN A 3 -8.044 -4.594 -17.316 1.00 0.00 C ATOM 28 O ASN A 3 -7.198 -4.270 -16.506 1.00 0.00 O ATOM 29 CB ASN A 3 -9.327 -3.035 -18.817 1.00 0.00 C ATOM 30 CG ASN A 3 -10.593 -3.885 -18.949 1.00 0.00 C ATOM 31 OD1 ASN A 3 -10.545 -5.091 -18.811 1.00 0.00 O ATOM 32 ND2 ASN A 3 -11.730 -3.302 -19.213 1.00 0.00 N ATOM 0 H ASN A 3 -8.765 -5.843 -19.431 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.173 -3.399 -18.839 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.397 -2.394 -17.938 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.225 -2.380 -19.682 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -12.580 -3.859 -19.304 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.769 -2.289 -19.329 1.00 0.00 H new ATOM 39 N LEU A 4 -8.934 -5.506 -17.036 1.00 0.00 N ATOM 40 CA LEU A 4 -8.926 -6.173 -15.701 1.00 0.00 C ATOM 41 C LEU A 4 -10.109 -7.137 -15.584 1.00 0.00 C ATOM 42 O LEU A 4 -11.017 -7.123 -16.391 1.00 0.00 O ATOM 43 CB LEU A 4 -9.059 -5.034 -14.689 1.00 0.00 C ATOM 44 CG LEU A 4 -8.067 -5.249 -13.544 1.00 0.00 C ATOM 45 CD1 LEU A 4 -6.640 -5.074 -14.064 1.00 0.00 C ATOM 46 CD2 LEU A 4 -8.336 -4.223 -12.440 1.00 0.00 C ATOM 0 H LEU A 4 -9.667 -5.819 -17.673 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.022 -6.760 -15.538 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.868 -4.077 -15.175 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.077 -4.996 -14.300 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.186 -6.256 -13.144 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.934 -5.227 -13.248 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.448 -5.803 -14.852 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.519 -4.067 -14.464 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.630 -4.374 -11.623 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.216 -3.217 -12.841 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.353 -4.347 -12.068 1.00 0.00 H new ATOM 58 N THR A 5 -10.106 -7.975 -14.583 1.00 0.00 N ATOM 59 CA THR A 5 -11.231 -8.941 -14.413 1.00 0.00 C ATOM 60 C THR A 5 -11.217 -9.521 -12.996 1.00 0.00 C ATOM 61 O THR A 5 -10.590 -8.986 -12.103 1.00 0.00 O ATOM 62 CB THR A 5 -10.972 -10.041 -15.445 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.051 -9.569 -16.418 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.286 -10.425 -16.125 1.00 0.00 C ATOM 0 H THR A 5 -9.374 -8.033 -13.875 1.00 0.00 H new ATOM 0 HA THR A 5 -12.204 -8.471 -14.556 1.00 0.00 H new ATOM 0 HB THR A 5 -10.556 -10.916 -14.946 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.884 -10.273 -17.079 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.100 -11.208 -16.860 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.990 -10.789 -15.377 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.706 -9.552 -16.624 1.00 0.00 H new ATOM 72 N GLU A 6 -11.903 -10.611 -12.783 1.00 0.00 N ATOM 73 CA GLU A 6 -11.925 -11.222 -11.423 1.00 0.00 C ATOM 74 C GLU A 6 -10.552 -11.811 -11.087 1.00 0.00 C ATOM 75 O GLU A 6 -10.042 -11.638 -9.997 1.00 0.00 O ATOM 76 CB GLU A 6 -12.983 -12.324 -11.499 1.00 0.00 C ATOM 77 CG GLU A 6 -12.559 -13.373 -12.527 1.00 0.00 C ATOM 78 CD GLU A 6 -13.771 -14.219 -12.924 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.875 -13.835 -12.574 1.00 0.00 O ATOM 80 OE2 GLU A 6 -13.575 -15.233 -13.572 1.00 0.00 O ATOM 0 H GLU A 6 -12.448 -11.104 -13.490 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.155 -10.494 -10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.109 -12.789 -10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.947 -11.898 -11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.138 -12.886 -13.407 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.778 -14.010 -12.111 1.00 0.00 H new ATOM 87 N GLU A 7 -9.949 -12.503 -12.014 1.00 0.00 N ATOM 88 CA GLU A 7 -8.609 -13.097 -11.745 1.00 0.00 C ATOM 89 C GLU A 7 -7.554 -11.991 -11.662 1.00 0.00 C ATOM 90 O GLU A 7 -6.635 -12.056 -10.870 1.00 0.00 O ATOM 91 CB GLU A 7 -8.334 -14.015 -12.936 1.00 0.00 C ATOM 92 CG GLU A 7 -9.246 -15.242 -12.858 1.00 0.00 C ATOM 93 CD GLU A 7 -8.512 -16.460 -13.422 1.00 0.00 C ATOM 94 OE1 GLU A 7 -7.762 -16.288 -14.369 1.00 0.00 O ATOM 95 OE2 GLU A 7 -8.714 -17.543 -12.899 1.00 0.00 O ATOM 0 H GLU A 7 -10.325 -12.683 -12.945 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.578 -13.640 -10.800 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.507 -13.479 -13.869 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.289 -14.325 -12.936 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.538 -15.426 -11.824 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.162 -15.064 -13.421 1.00 0.00 H new ATOM 102 N GLN A 8 -7.682 -10.976 -12.472 1.00 0.00 N ATOM 103 CA GLN A 8 -6.689 -9.865 -12.434 1.00 0.00 C ATOM 104 C GLN A 8 -6.681 -9.224 -11.044 1.00 0.00 C ATOM 105 O GLN A 8 -5.671 -9.195 -10.370 1.00 0.00 O ATOM 106 CB GLN A 8 -7.170 -8.866 -13.486 1.00 0.00 C ATOM 107 CG GLN A 8 -5.970 -8.341 -14.278 1.00 0.00 C ATOM 108 CD GLN A 8 -6.195 -8.590 -15.769 1.00 0.00 C ATOM 109 OE1 GLN A 8 -5.860 -7.762 -16.593 1.00 0.00 O ATOM 110 NE2 GLN A 8 -6.751 -9.706 -16.156 1.00 0.00 N ATOM 0 H GLN A 8 -8.430 -10.868 -13.157 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.673 -10.205 -12.636 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.882 -9.344 -14.159 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.692 -8.039 -13.005 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.836 -7.275 -14.093 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.058 -8.839 -13.949 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.033 -10.402 -15.465 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.904 -9.882 -17.149 1.00 0.00 H new ATOM 119 N ILE A 9 -7.802 -8.716 -10.610 1.00 0.00 N ATOM 120 CA ILE A 9 -7.858 -8.084 -9.262 1.00 0.00 C ATOM 121 C ILE A 9 -7.328 -9.061 -8.209 1.00 0.00 C ATOM 122 O ILE A 9 -6.656 -8.677 -7.272 1.00 0.00 O ATOM 123 CB ILE A 9 -9.337 -7.786 -9.023 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.836 -6.800 -10.082 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.518 -7.173 -7.634 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.329 -6.540 -9.878 1.00 0.00 C ATOM 0 H ILE A 9 -8.680 -8.711 -11.130 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.250 -7.182 -9.199 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.908 -8.712 -9.088 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.281 -5.865 -10.013 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.660 -7.202 -11.080 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.574 -6.961 -7.465 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.163 -7.873 -6.878 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.947 -6.247 -7.568 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.683 -5.838 -10.633 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.877 -7.478 -9.969 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.493 -6.119 -8.886 1.00 0.00 H new ATOM 138 N ALA A 10 -7.624 -10.323 -8.360 1.00 0.00 N ATOM 139 CA ALA A 10 -7.134 -11.326 -7.372 1.00 0.00 C ATOM 140 C ALA A 10 -5.606 -11.284 -7.299 1.00 0.00 C ATOM 141 O ALA A 10 -5.027 -11.200 -6.234 1.00 0.00 O ATOM 142 CB ALA A 10 -7.610 -12.677 -7.912 1.00 0.00 C ATOM 0 H ALA A 10 -8.183 -10.703 -9.124 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.507 -11.136 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.288 -13.472 -7.239 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.698 -12.678 -7.981 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.183 -12.844 -8.901 1.00 0.00 H new ATOM 148 N GLU A 11 -4.948 -11.338 -8.426 1.00 0.00 N ATOM 149 CA GLU A 11 -3.460 -11.297 -8.422 1.00 0.00 C ATOM 150 C GLU A 11 -2.973 -10.014 -7.743 1.00 0.00 C ATOM 151 O GLU A 11 -1.930 -9.986 -7.119 1.00 0.00 O ATOM 152 CB GLU A 11 -3.058 -11.310 -9.897 1.00 0.00 C ATOM 153 CG GLU A 11 -2.475 -12.679 -10.256 1.00 0.00 C ATOM 154 CD GLU A 11 -3.486 -13.772 -9.906 1.00 0.00 C ATOM 155 OE1 GLU A 11 -3.585 -14.107 -8.737 1.00 0.00 O ATOM 156 OE2 GLU A 11 -4.143 -14.256 -10.813 1.00 0.00 O ATOM 0 H GLU A 11 -5.378 -11.409 -9.348 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.024 -12.133 -7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.925 -11.097 -10.523 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.324 -10.528 -10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.236 -12.717 -11.319 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.544 -12.843 -9.714 1.00 0.00 H new ATOM 163 N PHE A 12 -3.724 -8.952 -7.857 1.00 0.00 N ATOM 164 CA PHE A 12 -3.305 -7.673 -7.214 1.00 0.00 C ATOM 165 C PHE A 12 -3.326 -7.824 -5.692 1.00 0.00 C ATOM 166 O PHE A 12 -2.418 -7.401 -5.004 1.00 0.00 O ATOM 167 CB PHE A 12 -4.342 -6.643 -7.665 1.00 0.00 C ATOM 168 CG PHE A 12 -4.009 -6.163 -9.057 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.820 -7.087 -10.091 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.890 -4.791 -9.314 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.515 -6.640 -11.382 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.584 -4.345 -10.605 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.395 -5.269 -11.639 1.00 0.00 C ATOM 0 H PHE A 12 -4.607 -8.914 -8.366 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.293 -7.379 -7.494 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.338 -7.085 -7.651 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.357 -5.801 -6.973 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.909 -8.145 -9.893 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.034 -4.078 -8.516 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.372 -7.353 -12.180 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.494 -3.287 -10.803 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.157 -4.925 -12.635 1.00 0.00 H new ATOM 183 N LYS A 13 -4.354 -8.428 -5.160 1.00 0.00 N ATOM 184 CA LYS A 13 -4.429 -8.608 -3.683 1.00 0.00 C ATOM 185 C LYS A 13 -3.213 -9.395 -3.191 1.00 0.00 C ATOM 186 O LYS A 13 -2.536 -8.997 -2.264 1.00 0.00 O ATOM 187 CB LYS A 13 -5.715 -9.400 -3.443 1.00 0.00 C ATOM 188 CG LYS A 13 -5.903 -9.629 -1.942 1.00 0.00 C ATOM 189 CD LYS A 13 -7.396 -9.627 -1.608 1.00 0.00 C ATOM 190 CE LYS A 13 -7.604 -9.045 -0.208 1.00 0.00 C ATOM 191 NZ LYS A 13 -6.861 -9.958 0.703 1.00 0.00 N ATOM 0 H LYS A 13 -5.144 -8.804 -5.684 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.434 -7.658 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.569 -8.858 -3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.668 -10.356 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.455 -10.579 -1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.392 -8.849 -1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.943 -9.038 -2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.791 -10.642 -1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.222 -8.026 -0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.662 -9.006 0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.239 -9.869 1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.972 -10.939 0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.852 -9.704 0.702 1.00 0.00 H new ATOM 205 N GLU A 14 -2.927 -10.509 -3.808 1.00 0.00 N ATOM 206 CA GLU A 14 -1.750 -11.317 -3.377 1.00 0.00 C ATOM 207 C GLU A 14 -0.490 -10.449 -3.385 1.00 0.00 C ATOM 208 O GLU A 14 0.346 -10.541 -2.510 1.00 0.00 O ATOM 209 CB GLU A 14 -1.638 -12.437 -4.411 1.00 0.00 C ATOM 210 CG GLU A 14 -1.666 -13.792 -3.702 1.00 0.00 C ATOM 211 CD GLU A 14 -0.713 -14.759 -4.408 1.00 0.00 C ATOM 212 OE1 GLU A 14 0.476 -14.689 -4.141 1.00 0.00 O ATOM 213 OE2 GLU A 14 -1.187 -15.551 -5.204 1.00 0.00 O ATOM 0 H GLU A 14 -3.456 -10.894 -4.590 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.862 -11.709 -2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.460 -12.371 -5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.714 -12.331 -4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.374 -13.674 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.679 -14.195 -3.706 1.00 0.00 H new ATOM 220 N ALA A 15 -0.353 -9.600 -4.368 1.00 0.00 N ATOM 221 CA ALA A 15 0.849 -8.721 -4.433 1.00 0.00 C ATOM 222 C ALA A 15 0.802 -7.685 -3.307 1.00 0.00 C ATOM 223 O ALA A 15 1.573 -7.734 -2.370 1.00 0.00 O ATOM 224 CB ALA A 15 0.765 -8.036 -5.798 1.00 0.00 C ATOM 0 H ALA A 15 -1.022 -9.478 -5.128 1.00 0.00 H new ATOM 0 HA ALA A 15 1.778 -9.278 -4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.618 -7.369 -5.923 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.775 -8.790 -6.585 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.158 -7.460 -5.860 1.00 0.00 H new ATOM 230 N PHE A 16 -0.103 -6.747 -3.392 1.00 0.00 N ATOM 231 CA PHE A 16 -0.206 -5.707 -2.329 1.00 0.00 C ATOM 232 C PHE A 16 -0.052 -6.346 -0.945 1.00 0.00 C ATOM 233 O PHE A 16 0.725 -5.898 -0.126 1.00 0.00 O ATOM 234 CB PHE A 16 -1.606 -5.118 -2.494 1.00 0.00 C ATOM 235 CG PHE A 16 -1.788 -3.968 -1.533 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.381 -2.679 -1.899 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.367 -4.189 -0.278 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.551 -1.613 -1.008 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.538 -3.123 0.613 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.130 -1.835 0.247 1.00 0.00 C ATOM 0 H PHE A 16 -0.776 -6.656 -4.153 1.00 0.00 H new ATOM 0 HA PHE A 16 0.571 -4.948 -2.415 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.749 -4.775 -3.519 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.358 -5.884 -2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.936 -2.508 -2.868 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.682 -5.183 0.003 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.235 -0.619 -1.289 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.984 -3.294 1.582 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.262 -1.012 0.933 1.00 0.00 H new ATOM 250 N ALA A 17 -0.789 -7.389 -0.678 1.00 0.00 N ATOM 251 CA ALA A 17 -0.687 -8.055 0.652 1.00 0.00 C ATOM 252 C ALA A 17 0.689 -8.708 0.815 1.00 0.00 C ATOM 253 O ALA A 17 1.234 -8.768 1.899 1.00 0.00 O ATOM 254 CB ALA A 17 -1.787 -9.116 0.650 1.00 0.00 C ATOM 0 H ALA A 17 -1.458 -7.809 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.802 -7.350 1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.777 -9.652 1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.756 -8.635 0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.614 -9.818 -0.165 1.00 0.00 H new ATOM 260 N LEU A 18 1.254 -9.201 -0.254 1.00 0.00 N ATOM 261 CA LEU A 18 2.592 -9.850 -0.156 1.00 0.00 C ATOM 262 C LEU A 18 3.557 -8.962 0.635 1.00 0.00 C ATOM 263 O LEU A 18 4.533 -9.427 1.186 1.00 0.00 O ATOM 264 CB LEU A 18 3.066 -10.002 -1.603 1.00 0.00 C ATOM 265 CG LEU A 18 3.456 -11.457 -1.863 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.422 -11.735 -3.366 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.868 -11.709 -1.329 1.00 0.00 C ATOM 0 H LEU A 18 0.847 -9.182 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 18 2.548 -10.808 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.276 -9.698 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.918 -9.348 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 18 2.752 -12.117 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.700 -12.773 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.416 -11.556 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.125 -11.075 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.147 -12.746 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.572 -11.048 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.892 -11.512 -0.257 1.00 0.00 H new ATOM 279 N PHE A 19 3.290 -7.686 0.695 1.00 0.00 N ATOM 280 CA PHE A 19 4.193 -6.771 1.452 1.00 0.00 C ATOM 281 C PHE A 19 3.415 -6.063 2.565 1.00 0.00 C ATOM 282 O PHE A 19 3.952 -5.247 3.289 1.00 0.00 O ATOM 283 CB PHE A 19 4.692 -5.758 0.421 1.00 0.00 C ATOM 284 CG PHE A 19 5.117 -6.484 -0.834 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.169 -6.795 -1.816 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.458 -6.844 -1.016 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.562 -7.466 -2.980 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.851 -7.515 -2.180 1.00 0.00 C ATOM 289 CZ PHE A 19 5.902 -7.827 -3.162 1.00 0.00 C ATOM 0 H PHE A 19 2.487 -7.237 0.254 1.00 0.00 H new ATOM 0 HA PHE A 19 5.015 -7.306 1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.905 -5.041 0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.530 -5.192 0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.135 -6.517 -1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.189 -6.604 -0.258 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.831 -7.705 -3.738 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.885 -7.792 -2.321 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.204 -8.346 -4.060 1.00 0.00 H new ATOM 299 N ASP A 20 2.154 -6.367 2.707 1.00 0.00 N ATOM 300 CA ASP A 20 1.344 -5.711 3.773 1.00 0.00 C ATOM 301 C ASP A 20 1.841 -6.140 5.156 1.00 0.00 C ATOM 302 O ASP A 20 1.326 -7.065 5.753 1.00 0.00 O ATOM 303 CB ASP A 20 -0.086 -6.200 3.542 1.00 0.00 C ATOM 304 CG ASP A 20 -0.934 -5.907 4.780 1.00 0.00 C ATOM 305 OD1 ASP A 20 -0.544 -5.045 5.551 1.00 0.00 O ATOM 306 OD2 ASP A 20 -1.960 -6.549 4.937 1.00 0.00 O ATOM 0 H ASP A 20 1.649 -7.041 2.131 1.00 0.00 H new ATOM 0 HA ASP A 20 1.414 -4.624 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.514 -5.705 2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.086 -7.270 3.333 1.00 0.00 H new ATOM 311 N LYS A 21 2.841 -5.476 5.670 1.00 0.00 N ATOM 312 CA LYS A 21 3.370 -5.847 7.013 1.00 0.00 C ATOM 313 C LYS A 21 2.223 -5.961 8.021 1.00 0.00 C ATOM 314 O LYS A 21 1.980 -7.011 8.582 1.00 0.00 O ATOM 315 CB LYS A 21 4.310 -4.703 7.398 1.00 0.00 C ATOM 316 CG LYS A 21 5.642 -5.278 7.884 1.00 0.00 C ATOM 317 CD LYS A 21 6.796 -4.530 7.213 1.00 0.00 C ATOM 318 CE LYS A 21 7.720 -5.533 6.519 1.00 0.00 C ATOM 319 NZ LYS A 21 8.422 -6.238 7.628 1.00 0.00 N ATOM 0 H LYS A 21 3.314 -4.693 5.218 1.00 0.00 H new ATOM 0 HA LYS A 21 3.881 -6.810 7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.475 -4.050 6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.857 -4.094 8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.716 -5.186 8.968 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.699 -6.341 7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.407 -3.815 6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.354 -3.959 7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.154 -6.231 5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.428 -5.029 5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.243 -6.751 7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.743 -5.544 8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.770 -6.912 8.078 1.00 0.00 H new ATOM 333 N ASP A 22 1.516 -4.889 8.254 1.00 0.00 N ATOM 334 CA ASP A 22 0.385 -4.938 9.225 1.00 0.00 C ATOM 335 C ASP A 22 -0.531 -6.123 8.911 1.00 0.00 C ATOM 336 O ASP A 22 -1.241 -6.615 9.765 1.00 0.00 O ATOM 337 CB ASP A 22 -0.360 -3.616 9.030 1.00 0.00 C ATOM 338 CG ASP A 22 0.231 -2.555 9.959 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.148 -2.883 10.695 1.00 0.00 O ATOM 340 OD2 ASP A 22 -0.243 -1.432 9.920 1.00 0.00 O ATOM 0 H ASP A 22 1.672 -3.982 7.815 1.00 0.00 H new ATOM 0 HA ASP A 22 0.727 -5.066 10.252 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.280 -3.291 7.993 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.421 -3.750 9.242 1.00 0.00 H new ATOM 345 N ASN A 23 -0.520 -6.587 7.691 1.00 0.00 N ATOM 346 CA ASN A 23 -1.391 -7.740 7.324 1.00 0.00 C ATOM 347 C ASN A 23 -2.866 -7.341 7.422 1.00 0.00 C ATOM 348 O ASN A 23 -3.750 -8.172 7.350 1.00 0.00 O ATOM 349 CB ASN A 23 -1.061 -8.827 8.346 1.00 0.00 C ATOM 350 CG ASN A 23 -0.924 -10.174 7.634 1.00 0.00 C ATOM 351 OD1 ASN A 23 -1.903 -10.853 7.399 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.261 -10.592 7.278 1.00 0.00 N ATOM 0 H ASN A 23 0.054 -6.218 6.933 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.221 -8.077 6.301 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.135 -8.583 8.866 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.845 -8.881 9.101 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.364 -11.489 6.803 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.083 -10.022 7.475 1.00 0.00 H new ATOM 359 N ASN A 24 -3.138 -6.076 7.584 1.00 0.00 N ATOM 360 CA ASN A 24 -4.556 -5.625 7.688 1.00 0.00 C ATOM 361 C ASN A 24 -5.072 -5.187 6.313 1.00 0.00 C ATOM 362 O ASN A 24 -6.242 -4.909 6.139 1.00 0.00 O ATOM 363 CB ASN A 24 -4.526 -4.439 8.651 1.00 0.00 C ATOM 364 CG ASN A 24 -4.328 -4.948 10.080 1.00 0.00 C ATOM 365 OD1 ASN A 24 -4.522 -6.116 10.355 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.947 -4.115 11.010 1.00 0.00 N ATOM 0 H ASN A 24 -2.441 -5.334 7.649 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.217 -6.417 8.039 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.719 -3.758 8.381 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.456 -3.875 8.580 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.812 -4.445 11.966 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.784 -3.135 10.781 1.00 0.00 H new ATOM 373 N GLY A 25 -4.208 -5.124 5.337 1.00 0.00 N ATOM 374 CA GLY A 25 -4.651 -4.706 3.977 1.00 0.00 C ATOM 375 C GLY A 25 -4.074 -3.326 3.654 1.00 0.00 C ATOM 376 O GLY A 25 -4.577 -2.616 2.806 1.00 0.00 O ATOM 0 H GLY A 25 -3.216 -5.344 5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.320 -5.433 3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.740 -4.677 3.930 1.00 0.00 H new ATOM 380 N SER A 26 -3.022 -2.941 4.323 1.00 0.00 N ATOM 381 CA SER A 26 -2.414 -1.607 4.053 1.00 0.00 C ATOM 382 C SER A 26 -0.890 -1.727 3.969 1.00 0.00 C ATOM 383 O SER A 26 -0.264 -2.382 4.779 1.00 0.00 O ATOM 384 CB SER A 26 -2.819 -0.738 5.243 1.00 0.00 C ATOM 385 OG SER A 26 -2.722 -1.504 6.437 1.00 0.00 O ATOM 0 H SER A 26 -2.557 -3.492 5.045 1.00 0.00 H new ATOM 0 HA SER A 26 -2.751 -1.184 3.107 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.173 0.138 5.305 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.838 -0.374 5.112 1.00 0.00 H new ATOM 0 HG SER A 26 -2.979 -0.950 7.203 1.00 0.00 H new ATOM 391 N ILE A 27 -0.288 -1.098 2.997 1.00 0.00 N ATOM 392 CA ILE A 27 1.195 -1.177 2.863 1.00 0.00 C ATOM 393 C ILE A 27 1.792 0.228 2.758 1.00 0.00 C ATOM 394 O ILE A 27 1.094 1.195 2.529 1.00 0.00 O ATOM 395 CB ILE A 27 1.434 -1.958 1.570 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.110 -1.066 0.368 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.535 -3.194 1.544 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.330 -1.850 -0.927 1.00 0.00 C ATOM 0 H ILE A 27 -0.758 -0.533 2.290 1.00 0.00 H new ATOM 0 HA ILE A 27 1.662 -1.657 3.723 1.00 0.00 H new ATOM 0 HB ILE A 27 2.478 -2.269 1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.077 -0.722 0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.743 -0.179 0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.707 -3.749 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.766 -3.830 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.509 -2.885 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.099 -1.214 -1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.370 -2.172 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.678 -2.724 -0.939 1.00 0.00 H new ATOM 410 N SER A 28 3.082 0.347 2.919 1.00 0.00 N ATOM 411 CA SER A 28 3.724 1.689 2.822 1.00 0.00 C ATOM 412 C SER A 28 4.047 2.008 1.360 1.00 0.00 C ATOM 413 O SER A 28 4.220 1.123 0.546 1.00 0.00 O ATOM 414 CB SER A 28 5.008 1.574 3.643 1.00 0.00 C ATOM 415 OG SER A 28 5.064 2.644 4.578 1.00 0.00 O ATOM 0 H SER A 28 3.718 -0.426 3.113 1.00 0.00 H new ATOM 0 HA SER A 28 3.079 2.487 3.189 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.035 0.618 4.165 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.877 1.604 2.986 1.00 0.00 H new ATOM 0 HG SER A 28 5.885 2.573 5.108 1.00 0.00 H new ATOM 421 N SER A 29 4.126 3.265 1.019 1.00 0.00 N ATOM 422 CA SER A 29 4.436 3.632 -0.393 1.00 0.00 C ATOM 423 C SER A 29 5.642 2.834 -0.895 1.00 0.00 C ATOM 424 O SER A 29 5.583 2.178 -1.916 1.00 0.00 O ATOM 425 CB SER A 29 4.760 5.126 -0.352 1.00 0.00 C ATOM 426 OG SER A 29 6.170 5.300 -0.386 1.00 0.00 O ATOM 0 H SER A 29 3.990 4.052 1.654 1.00 0.00 H new ATOM 0 HA SER A 29 3.608 3.413 -1.068 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.299 5.634 -1.199 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.348 5.575 0.552 1.00 0.00 H new ATOM 0 HG SER A 29 6.382 6.256 -0.362 1.00 0.00 H new ATOM 432 N SER A 30 6.735 2.882 -0.184 1.00 0.00 N ATOM 433 CA SER A 30 7.941 2.123 -0.622 1.00 0.00 C ATOM 434 C SER A 30 7.554 0.692 -1.001 1.00 0.00 C ATOM 435 O SER A 30 8.236 0.035 -1.763 1.00 0.00 O ATOM 436 CB SER A 30 8.872 2.125 0.590 1.00 0.00 C ATOM 437 OG SER A 30 10.158 1.663 0.195 1.00 0.00 O ATOM 0 H SER A 30 6.845 3.413 0.680 1.00 0.00 H new ATOM 0 HA SER A 30 8.414 2.567 -1.498 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.946 3.130 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.468 1.485 1.375 1.00 0.00 H new ATOM 0 HG SER A 30 10.758 1.664 0.970 1.00 0.00 H new ATOM 443 N GLU A 31 6.464 0.203 -0.475 1.00 0.00 N ATOM 444 CA GLU A 31 6.033 -1.185 -0.805 1.00 0.00 C ATOM 445 C GLU A 31 5.175 -1.185 -2.073 1.00 0.00 C ATOM 446 O GLU A 31 5.205 -2.116 -2.854 1.00 0.00 O ATOM 447 CB GLU A 31 5.210 -1.642 0.400 1.00 0.00 C ATOM 448 CG GLU A 31 5.996 -1.376 1.686 1.00 0.00 C ATOM 449 CD GLU A 31 5.399 -2.199 2.829 1.00 0.00 C ATOM 450 OE1 GLU A 31 5.595 -3.403 2.831 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.756 -1.612 3.682 1.00 0.00 O ATOM 0 H GLU A 31 5.853 0.705 0.169 1.00 0.00 H new ATOM 0 HA GLU A 31 6.879 -1.846 -0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.259 -1.111 0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.980 -2.704 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.045 -1.638 1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.963 -0.315 1.932 1.00 0.00 H new ATOM 458 N LEU A 32 4.409 -0.148 -2.284 1.00 0.00 N ATOM 459 CA LEU A 32 3.553 -0.093 -3.502 1.00 0.00 C ATOM 460 C LEU A 32 4.413 -0.257 -4.758 1.00 0.00 C ATOM 461 O LEU A 32 4.038 -0.934 -5.694 1.00 0.00 O ATOM 462 CB LEU A 32 2.904 1.292 -3.472 1.00 0.00 C ATOM 463 CG LEU A 32 2.105 1.508 -4.758 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.020 0.435 -4.873 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.449 2.891 -4.722 1.00 0.00 C ATOM 0 H LEU A 32 4.340 0.661 -1.667 1.00 0.00 H new ATOM 0 HA LEU A 32 2.809 -0.889 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.249 1.380 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.669 2.062 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 32 2.774 1.442 -5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.451 0.590 -5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.484 -0.551 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.351 0.501 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.879 3.047 -5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.781 2.954 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.220 3.657 -4.639 1.00 0.00 H new ATOM 477 N ALA A 33 5.566 0.352 -4.783 1.00 0.00 N ATOM 478 CA ALA A 33 6.449 0.222 -5.976 1.00 0.00 C ATOM 479 C ALA A 33 6.714 -1.256 -6.267 1.00 0.00 C ATOM 480 O ALA A 33 6.665 -1.696 -7.400 1.00 0.00 O ATOM 481 CB ALA A 33 7.746 0.937 -5.595 1.00 0.00 C ATOM 0 H ALA A 33 5.935 0.933 -4.030 1.00 0.00 H new ATOM 0 HA ALA A 33 6.002 0.651 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.449 0.884 -6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.532 1.981 -5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.183 0.456 -4.720 1.00 0.00 H new ATOM 487 N THR A 34 6.989 -2.029 -5.252 1.00 0.00 N ATOM 488 CA THR A 34 7.249 -3.479 -5.472 1.00 0.00 C ATOM 489 C THR A 34 5.996 -4.150 -6.040 1.00 0.00 C ATOM 490 O THR A 34 5.979 -4.596 -7.171 1.00 0.00 O ATOM 491 CB THR A 34 7.577 -4.042 -4.090 1.00 0.00 C ATOM 492 OG1 THR A 34 8.773 -3.444 -3.608 1.00 0.00 O ATOM 493 CG2 THR A 34 7.762 -5.556 -4.189 1.00 0.00 C ATOM 0 H THR A 34 7.045 -1.719 -4.282 1.00 0.00 H new ATOM 0 HA THR A 34 8.059 -3.652 -6.181 1.00 0.00 H new ATOM 0 HB THR A 34 6.761 -3.822 -3.402 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.984 -3.803 -2.721 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.996 -5.959 -3.204 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.843 -6.011 -4.558 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.579 -5.779 -4.876 1.00 0.00 H new ATOM 501 N VAL A 35 4.945 -4.218 -5.269 1.00 0.00 N ATOM 502 CA VAL A 35 3.694 -4.853 -5.773 1.00 0.00 C ATOM 503 C VAL A 35 3.416 -4.375 -7.201 1.00 0.00 C ATOM 504 O VAL A 35 2.886 -5.098 -8.022 1.00 0.00 O ATOM 505 CB VAL A 35 2.594 -4.373 -4.825 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.884 -4.872 -3.409 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.552 -2.843 -4.826 1.00 0.00 C ATOM 0 H VAL A 35 4.898 -3.862 -4.314 1.00 0.00 H new ATOM 0 HA VAL A 35 3.758 -5.941 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 35 1.633 -4.765 -5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.099 -4.529 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.914 -5.962 -3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.845 -4.481 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.768 -2.500 -4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.514 -2.452 -4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.344 -2.485 -5.834 1.00 0.00 H new ATOM 517 N MET A 36 3.772 -3.154 -7.496 1.00 0.00 N ATOM 518 CA MET A 36 3.535 -2.608 -8.864 1.00 0.00 C ATOM 519 C MET A 36 4.253 -3.463 -9.914 1.00 0.00 C ATOM 520 O MET A 36 3.634 -4.028 -10.794 1.00 0.00 O ATOM 521 CB MET A 36 4.121 -1.195 -8.825 1.00 0.00 C ATOM 522 CG MET A 36 3.472 -0.339 -9.913 1.00 0.00 C ATOM 523 SD MET A 36 1.687 -0.246 -9.627 1.00 0.00 S ATOM 524 CE MET A 36 1.701 1.233 -8.585 1.00 0.00 C ATOM 0 H MET A 36 4.219 -2.508 -6.845 1.00 0.00 H new ATOM 0 HA MET A 36 2.479 -2.608 -9.133 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.951 -0.747 -7.846 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.200 -1.234 -8.974 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.904 0.662 -9.909 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.671 -0.768 -10.895 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.702 1.406 -8.185 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.402 1.092 -7.762 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.008 2.094 -9.179 1.00 0.00 H new ATOM 534 N ARG A 37 5.552 -3.560 -9.832 1.00 0.00 N ATOM 535 CA ARG A 37 6.302 -4.376 -10.832 1.00 0.00 C ATOM 536 C ARG A 37 6.035 -5.868 -10.612 1.00 0.00 C ATOM 537 O ARG A 37 6.225 -6.679 -11.498 1.00 0.00 O ATOM 538 CB ARG A 37 7.775 -4.054 -10.577 1.00 0.00 C ATOM 539 CG ARG A 37 8.296 -3.133 -11.684 1.00 0.00 C ATOM 540 CD ARG A 37 9.147 -3.942 -12.663 1.00 0.00 C ATOM 541 NE ARG A 37 10.414 -4.222 -11.931 1.00 0.00 N ATOM 542 CZ ARG A 37 11.551 -3.792 -12.406 1.00 0.00 C ATOM 543 NH1 ARG A 37 11.691 -2.533 -12.724 1.00 0.00 N ATOM 544 NH2 ARG A 37 12.547 -4.619 -12.564 1.00 0.00 N ATOM 0 H ARG A 37 6.126 -3.111 -9.118 1.00 0.00 H new ATOM 0 HA ARG A 37 6.003 -4.150 -11.855 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.890 -3.574 -9.605 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.360 -4.974 -10.549 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.461 -2.669 -12.209 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.888 -2.326 -11.252 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.646 -4.866 -12.952 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.336 -3.382 -13.579 1.00 0.00 H new ATOM 0 HE ARG A 37 10.393 -4.750 -11.058 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.912 -1.886 -12.601 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.579 -2.197 -13.095 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.438 -5.602 -12.316 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.435 -4.282 -12.935 1.00 0.00 H new ATOM 558 N SER A 38 5.599 -6.239 -9.439 1.00 0.00 N ATOM 559 CA SER A 38 5.326 -7.678 -9.164 1.00 0.00 C ATOM 560 C SER A 38 4.147 -8.169 -10.007 1.00 0.00 C ATOM 561 O SER A 38 4.104 -9.309 -10.425 1.00 0.00 O ATOM 562 CB SER A 38 4.982 -7.737 -7.676 1.00 0.00 C ATOM 563 OG SER A 38 6.182 -7.835 -6.920 1.00 0.00 O ATOM 0 H SER A 38 5.420 -5.607 -8.659 1.00 0.00 H new ATOM 0 HA SER A 38 6.176 -8.313 -9.413 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.426 -6.846 -7.384 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.340 -8.594 -7.473 1.00 0.00 H new ATOM 0 HG SER A 38 5.981 -7.711 -5.969 1.00 0.00 H new ATOM 569 N LEU A 39 3.189 -7.321 -10.257 1.00 0.00 N ATOM 570 CA LEU A 39 2.015 -7.749 -11.073 1.00 0.00 C ATOM 571 C LEU A 39 2.466 -8.141 -12.483 1.00 0.00 C ATOM 572 O LEU A 39 1.852 -8.959 -13.136 1.00 0.00 O ATOM 573 CB LEU A 39 1.090 -6.532 -11.123 1.00 0.00 C ATOM 574 CG LEU A 39 0.221 -6.489 -9.863 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.828 -5.384 -10.004 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.486 -7.835 -9.681 1.00 0.00 C ATOM 0 H LEU A 39 3.166 -6.354 -9.934 1.00 0.00 H new ATOM 0 HA LEU A 39 1.514 -8.618 -10.646 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.680 -5.619 -11.201 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.458 -6.580 -12.010 1.00 0.00 H new ATOM 0 HG LEU A 39 0.852 -6.288 -8.997 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.447 -5.353 -9.107 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.329 -4.423 -10.134 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.456 -5.587 -10.871 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.104 -7.803 -8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.115 -8.036 -10.548 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.257 -8.626 -9.581 1.00 0.00 H new ATOM 588 N GLY A 40 3.539 -7.565 -12.957 1.00 0.00 N ATOM 589 CA GLY A 40 4.026 -7.911 -14.322 1.00 0.00 C ATOM 590 C GLY A 40 4.248 -6.632 -15.130 1.00 0.00 C ATOM 591 O GLY A 40 4.059 -6.606 -16.331 1.00 0.00 O ATOM 0 H GLY A 40 4.097 -6.872 -12.459 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.956 -8.476 -14.254 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.301 -8.550 -14.826 1.00 0.00 H new ATOM 595 N LEU A 41 4.649 -5.571 -14.487 1.00 0.00 N ATOM 596 CA LEU A 41 4.884 -4.297 -15.225 1.00 0.00 C ATOM 597 C LEU A 41 6.218 -3.677 -14.799 1.00 0.00 C ATOM 598 O LEU A 41 6.956 -4.246 -14.018 1.00 0.00 O ATOM 599 CB LEU A 41 3.718 -3.386 -14.836 1.00 0.00 C ATOM 600 CG LEU A 41 3.467 -3.486 -13.330 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.208 -2.088 -12.763 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.245 -4.371 -13.077 1.00 0.00 C ATOM 0 H LEU A 41 4.824 -5.530 -13.483 1.00 0.00 H new ATOM 0 HA LEU A 41 4.935 -4.450 -16.303 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.942 -2.355 -15.110 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.821 -3.673 -15.384 1.00 0.00 H new ATOM 0 HG LEU A 41 4.340 -3.921 -12.843 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.029 -2.158 -11.690 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.076 -1.455 -12.946 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.334 -1.654 -13.249 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.064 -4.444 -12.005 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.373 -3.934 -13.563 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.426 -5.366 -13.483 1.00 0.00 H new ATOM 614 N SER A 42 6.534 -2.517 -15.307 1.00 0.00 N ATOM 615 CA SER A 42 7.822 -1.865 -14.932 1.00 0.00 C ATOM 616 C SER A 42 7.804 -0.386 -15.328 1.00 0.00 C ATOM 617 O SER A 42 8.255 -0.024 -16.396 1.00 0.00 O ATOM 618 CB SER A 42 8.890 -2.618 -15.721 1.00 0.00 C ATOM 619 OG SER A 42 8.702 -4.016 -15.553 1.00 0.00 O ATOM 0 H SER A 42 5.957 -1.993 -15.965 1.00 0.00 H new ATOM 0 HA SER A 42 8.006 -1.902 -13.858 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.830 -2.356 -16.777 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.883 -2.329 -15.377 1.00 0.00 H new ATOM 0 HG SER A 42 8.237 -4.380 -16.335 1.00 0.00 H new ATOM 625 N PRO A 43 7.280 0.419 -14.445 1.00 0.00 N ATOM 626 CA PRO A 43 7.199 1.879 -14.697 1.00 0.00 C ATOM 627 C PRO A 43 8.591 2.512 -14.611 1.00 0.00 C ATOM 628 O PRO A 43 9.597 1.842 -14.735 1.00 0.00 O ATOM 629 CB PRO A 43 6.298 2.386 -13.574 1.00 0.00 C ATOM 630 CG PRO A 43 6.438 1.375 -12.482 1.00 0.00 C ATOM 631 CD PRO A 43 6.719 0.050 -13.142 1.00 0.00 C ATOM 0 HA PRO A 43 6.815 2.125 -15.687 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.605 3.376 -13.237 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.263 2.469 -13.905 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.248 1.648 -11.805 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.527 1.323 -11.885 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.421 -0.546 -12.559 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.811 -0.543 -13.251 1.00 0.00 H new ATOM 639 N SER A 44 8.658 3.799 -14.398 1.00 0.00 N ATOM 640 CA SER A 44 9.986 4.470 -14.304 1.00 0.00 C ATOM 641 C SER A 44 10.034 5.380 -13.074 1.00 0.00 C ATOM 642 O SER A 44 9.016 5.738 -12.515 1.00 0.00 O ATOM 643 CB SER A 44 10.104 5.294 -15.586 1.00 0.00 C ATOM 644 OG SER A 44 9.256 4.736 -16.581 1.00 0.00 O ATOM 0 H SER A 44 7.852 4.413 -14.285 1.00 0.00 H new ATOM 0 HA SER A 44 10.803 3.756 -14.201 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.825 6.330 -15.393 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.137 5.301 -15.934 1.00 0.00 H new ATOM 0 HG SER A 44 9.327 5.263 -17.404 1.00 0.00 H new ATOM 650 N GLU A 45 11.208 5.758 -12.650 1.00 0.00 N ATOM 651 CA GLU A 45 11.319 6.645 -11.456 1.00 0.00 C ATOM 652 C GLU A 45 10.268 7.756 -11.525 1.00 0.00 C ATOM 653 O GLU A 45 9.384 7.839 -10.698 1.00 0.00 O ATOM 654 CB GLU A 45 12.729 7.234 -11.529 1.00 0.00 C ATOM 655 CG GLU A 45 13.062 7.926 -10.207 1.00 0.00 C ATOM 656 CD GLU A 45 14.333 7.314 -9.615 1.00 0.00 C ATOM 657 OE1 GLU A 45 14.383 6.100 -9.499 1.00 0.00 O ATOM 658 OE2 GLU A 45 15.234 8.068 -9.287 1.00 0.00 O ATOM 0 H GLU A 45 12.095 5.492 -13.078 1.00 0.00 H new ATOM 0 HA GLU A 45 11.151 6.106 -10.523 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.454 6.446 -11.732 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.795 7.946 -12.351 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.202 8.995 -10.369 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.233 7.816 -9.508 1.00 0.00 H new ATOM 665 N ALA A 46 10.358 8.611 -12.507 1.00 0.00 N ATOM 666 CA ALA A 46 9.362 9.714 -12.628 1.00 0.00 C ATOM 667 C ALA A 46 7.952 9.180 -12.364 1.00 0.00 C ATOM 668 O ALA A 46 7.197 9.748 -11.601 1.00 0.00 O ATOM 669 CB ALA A 46 9.489 10.206 -14.071 1.00 0.00 C ATOM 0 H ALA A 46 11.077 8.594 -13.230 1.00 0.00 H new ATOM 0 HA ALA A 46 9.539 10.514 -11.909 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.786 11.021 -14.241 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.505 10.560 -14.246 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.267 9.387 -14.755 1.00 0.00 H new ATOM 675 N GLU A 47 7.594 8.091 -12.987 1.00 0.00 N ATOM 676 CA GLU A 47 6.233 7.521 -12.769 1.00 0.00 C ATOM 677 C GLU A 47 6.006 7.262 -11.277 1.00 0.00 C ATOM 678 O GLU A 47 4.931 7.481 -10.755 1.00 0.00 O ATOM 679 CB GLU A 47 6.223 6.207 -13.550 1.00 0.00 C ATOM 680 CG GLU A 47 4.778 5.776 -13.807 1.00 0.00 C ATOM 681 CD GLU A 47 4.342 6.254 -15.193 1.00 0.00 C ATOM 682 OE1 GLU A 47 4.036 7.428 -15.324 1.00 0.00 O ATOM 683 OE2 GLU A 47 4.322 5.438 -16.100 1.00 0.00 O ATOM 0 H GLU A 47 8.184 7.571 -13.637 1.00 0.00 H new ATOM 0 HA GLU A 47 5.443 8.195 -13.100 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.750 6.330 -14.496 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.750 5.435 -12.989 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.694 4.691 -13.742 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.122 6.193 -13.043 1.00 0.00 H new ATOM 690 N VAL A 48 7.011 6.796 -10.587 1.00 0.00 N ATOM 691 CA VAL A 48 6.855 6.523 -9.129 1.00 0.00 C ATOM 692 C VAL A 48 6.618 7.833 -8.372 1.00 0.00 C ATOM 693 O VAL A 48 5.736 7.931 -7.542 1.00 0.00 O ATOM 694 CB VAL A 48 8.175 5.885 -8.700 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.004 5.236 -7.325 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.581 4.818 -9.719 1.00 0.00 C ATOM 0 H VAL A 48 7.934 6.592 -10.970 1.00 0.00 H new ATOM 0 HA VAL A 48 6.005 5.875 -8.918 1.00 0.00 H new ATOM 0 HB VAL A 48 8.949 6.651 -8.648 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.945 4.780 -7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.714 5.995 -6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.230 4.470 -7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.523 4.363 -9.413 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.808 4.052 -9.771 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.702 5.279 -10.699 1.00 0.00 H new ATOM 706 N ASN A 49 7.401 8.839 -8.650 1.00 0.00 N ATOM 707 CA ASN A 49 7.222 10.141 -7.945 1.00 0.00 C ATOM 708 C ASN A 49 5.753 10.573 -8.002 1.00 0.00 C ATOM 709 O ASN A 49 5.153 10.898 -6.997 1.00 0.00 O ATOM 710 CB ASN A 49 8.102 11.130 -8.709 1.00 0.00 C ATOM 711 CG ASN A 49 8.053 12.495 -8.020 1.00 0.00 C ATOM 712 OD1 ASN A 49 8.438 12.625 -6.875 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.591 13.526 -8.673 1.00 0.00 N ATOM 0 H ASN A 49 8.157 8.816 -9.334 1.00 0.00 H new ATOM 0 HA ASN A 49 7.496 10.083 -6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.129 10.766 -8.746 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.758 11.218 -9.739 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.553 14.440 -8.222 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.268 13.418 -9.634 1.00 0.00 H new ATOM 720 N ASP A 50 5.173 10.578 -9.170 1.00 0.00 N ATOM 721 CA ASP A 50 3.744 10.988 -9.290 1.00 0.00 C ATOM 722 C ASP A 50 2.842 9.975 -8.579 1.00 0.00 C ATOM 723 O ASP A 50 1.874 10.334 -7.938 1.00 0.00 O ATOM 724 CB ASP A 50 3.458 10.998 -10.792 1.00 0.00 C ATOM 725 CG ASP A 50 2.202 11.826 -11.068 1.00 0.00 C ATOM 726 OD1 ASP A 50 1.845 12.627 -10.220 1.00 0.00 O ATOM 727 OD2 ASP A 50 1.618 11.646 -12.124 1.00 0.00 O ATOM 0 H ASP A 50 5.625 10.316 -10.046 1.00 0.00 H new ATOM 0 HA ASP A 50 3.554 11.959 -8.833 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.308 11.416 -11.332 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.321 9.979 -11.153 1.00 0.00 H new ATOM 732 N LEU A 51 3.154 8.713 -8.686 1.00 0.00 N ATOM 733 CA LEU A 51 2.315 7.679 -8.015 1.00 0.00 C ATOM 734 C LEU A 51 2.149 8.015 -6.530 1.00 0.00 C ATOM 735 O LEU A 51 1.049 8.076 -6.017 1.00 0.00 O ATOM 736 CB LEU A 51 3.088 6.370 -8.186 1.00 0.00 C ATOM 737 CG LEU A 51 2.464 5.553 -9.318 1.00 0.00 C ATOM 738 CD1 LEU A 51 0.973 5.352 -9.042 1.00 0.00 C ATOM 739 CD2 LEU A 51 2.642 6.301 -10.642 1.00 0.00 C ATOM 0 H LEU A 51 3.953 8.353 -9.208 1.00 0.00 H new ATOM 0 HA LEU A 51 1.313 7.619 -8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.134 6.580 -8.409 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.068 5.799 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 51 2.955 4.582 -9.379 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.529 4.770 -9.849 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.846 4.821 -8.099 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.480 6.322 -8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.198 5.720 -11.451 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.151 7.272 -10.580 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.704 6.444 -10.839 1.00 0.00 H new ATOM 751 N MET A 52 3.233 8.232 -5.837 1.00 0.00 N ATOM 752 CA MET A 52 3.136 8.564 -4.386 1.00 0.00 C ATOM 753 C MET A 52 2.513 9.950 -4.202 1.00 0.00 C ATOM 754 O MET A 52 1.585 10.128 -3.438 1.00 0.00 O ATOM 755 CB MET A 52 4.579 8.553 -3.880 1.00 0.00 C ATOM 756 CG MET A 52 4.940 7.147 -3.399 1.00 0.00 C ATOM 757 SD MET A 52 4.814 5.984 -4.779 1.00 0.00 S ATOM 758 CE MET A 52 4.179 4.577 -3.834 1.00 0.00 C ATOM 0 H MET A 52 4.181 8.194 -6.212 1.00 0.00 H new ATOM 0 HA MET A 52 2.508 7.859 -3.842 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.257 8.862 -4.676 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.696 9.269 -3.066 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.952 7.139 -2.994 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.272 6.844 -2.593 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.008 3.735 -4.505 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.905 4.292 -3.073 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.240 4.855 -3.354 1.00 0.00 H new ATOM 768 N ASN A 53 3.015 10.934 -4.897 1.00 0.00 N ATOM 769 CA ASN A 53 2.449 12.307 -4.761 1.00 0.00 C ATOM 770 C ASN A 53 0.921 12.262 -4.842 1.00 0.00 C ATOM 771 O ASN A 53 0.237 13.139 -4.354 1.00 0.00 O ATOM 772 CB ASN A 53 3.025 13.092 -5.939 1.00 0.00 C ATOM 773 CG ASN A 53 4.244 13.892 -5.474 1.00 0.00 C ATOM 774 OD1 ASN A 53 4.104 14.950 -4.893 1.00 0.00 O ATOM 775 ND2 ASN A 53 5.441 13.429 -5.704 1.00 0.00 N ATOM 0 H ASN A 53 3.792 10.847 -5.552 1.00 0.00 H new ATOM 0 HA ASN A 53 2.702 12.763 -3.804 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.309 12.410 -6.740 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.269 13.764 -6.346 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.259 13.955 -5.396 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.559 12.541 -6.192 1.00 0.00 H new ATOM 782 N GLU A 54 0.381 11.244 -5.456 1.00 0.00 N ATOM 783 CA GLU A 54 -1.104 11.144 -5.567 1.00 0.00 C ATOM 784 C GLU A 54 -1.678 10.421 -4.346 1.00 0.00 C ATOM 785 O GLU A 54 -2.866 10.174 -4.261 1.00 0.00 O ATOM 786 CB GLU A 54 -1.350 10.330 -6.838 1.00 0.00 C ATOM 787 CG GLU A 54 -2.838 10.372 -7.190 1.00 0.00 C ATOM 788 CD GLU A 54 -3.042 11.221 -8.447 1.00 0.00 C ATOM 789 OE1 GLU A 54 -2.075 11.430 -9.161 1.00 0.00 O ATOM 790 OE2 GLU A 54 -4.162 11.648 -8.674 1.00 0.00 O ATOM 0 H GLU A 54 0.902 10.479 -5.885 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.583 12.122 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.759 10.733 -7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.029 9.299 -6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.212 9.362 -7.356 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.407 10.790 -6.360 1.00 0.00 H new ATOM 797 N ILE A 55 -0.847 10.079 -3.400 1.00 0.00 N ATOM 798 CA ILE A 55 -1.349 9.372 -2.186 1.00 0.00 C ATOM 799 C ILE A 55 -0.448 9.675 -0.987 1.00 0.00 C ATOM 800 O ILE A 55 -0.916 9.945 0.102 1.00 0.00 O ATOM 801 CB ILE A 55 -1.289 7.886 -2.541 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.723 7.057 -1.329 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.143 7.511 -2.927 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.393 5.583 -1.574 1.00 0.00 C ATOM 0 H ILE A 55 0.157 10.258 -3.414 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.356 9.685 -1.912 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.956 7.685 -3.379 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.214 7.410 -0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.793 7.177 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.186 6.452 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.455 8.103 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.810 7.711 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.702 4.993 -0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.922 5.234 -2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.319 5.471 -1.725 1.00 0.00 H new ATOM 816 N ASP A 56 0.844 9.633 -1.175 1.00 0.00 N ATOM 817 CA ASP A 56 1.772 9.920 -0.045 1.00 0.00 C ATOM 818 C ASP A 56 1.330 11.184 0.696 1.00 0.00 C ATOM 819 O ASP A 56 1.069 12.207 0.097 1.00 0.00 O ATOM 820 CB ASP A 56 3.138 10.132 -0.699 1.00 0.00 C ATOM 821 CG ASP A 56 4.170 10.482 0.375 1.00 0.00 C ATOM 822 OD1 ASP A 56 3.767 10.712 1.504 1.00 0.00 O ATOM 823 OD2 ASP A 56 5.346 10.513 0.051 1.00 0.00 O ATOM 0 H ASP A 56 1.296 9.412 -2.062 1.00 0.00 H new ATOM 0 HA ASP A 56 1.791 9.114 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.442 9.230 -1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.079 10.932 -1.437 1.00 0.00 H new ATOM 828 N VAL A 57 1.242 11.120 1.998 1.00 0.00 N ATOM 829 CA VAL A 57 0.816 12.319 2.776 1.00 0.00 C ATOM 830 C VAL A 57 2.040 13.130 3.209 1.00 0.00 C ATOM 831 O VAL A 57 2.122 14.319 2.976 1.00 0.00 O ATOM 832 CB VAL A 57 0.084 11.758 3.994 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.379 12.912 4.886 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.132 10.953 3.532 1.00 0.00 C ATOM 0 H VAL A 57 1.446 10.291 2.555 1.00 0.00 H new ATOM 0 HA VAL A 57 0.183 12.988 2.193 1.00 0.00 H new ATOM 0 HB VAL A 57 0.757 11.110 4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.901 12.513 5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.486 13.487 5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.052 13.559 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.655 10.552 4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.805 11.601 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.804 10.131 2.895 1.00 0.00 H new ATOM 844 N ASP A 58 2.991 12.495 3.839 1.00 0.00 N ATOM 845 CA ASP A 58 4.208 13.231 4.288 1.00 0.00 C ATOM 846 C ASP A 58 5.468 12.446 3.915 1.00 0.00 C ATOM 847 O ASP A 58 6.440 13.001 3.443 1.00 0.00 O ATOM 848 CB ASP A 58 4.070 13.337 5.807 1.00 0.00 C ATOM 849 CG ASP A 58 2.708 13.941 6.156 1.00 0.00 C ATOM 850 OD1 ASP A 58 2.210 14.725 5.365 1.00 0.00 O ATOM 851 OD2 ASP A 58 2.187 13.609 7.207 1.00 0.00 O ATOM 0 H ASP A 58 2.978 11.500 4.062 1.00 0.00 H new ATOM 0 HA ASP A 58 4.295 14.211 3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.169 12.351 6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.869 13.957 6.213 1.00 0.00 H new ATOM 856 N GLY A 59 5.459 11.158 4.126 1.00 0.00 N ATOM 857 CA GLY A 59 6.657 10.339 3.785 1.00 0.00 C ATOM 858 C GLY A 59 6.309 8.854 3.894 1.00 0.00 C ATOM 859 O GLY A 59 6.277 8.140 2.910 1.00 0.00 O ATOM 0 H GLY A 59 4.675 10.638 4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.993 10.571 2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.479 10.581 4.458 1.00 0.00 H new ATOM 863 N ASN A 60 6.049 8.381 5.082 1.00 0.00 N ATOM 864 CA ASN A 60 5.703 6.940 5.252 1.00 0.00 C ATOM 865 C ASN A 60 4.221 6.789 5.606 1.00 0.00 C ATOM 866 O ASN A 60 3.863 6.607 6.752 1.00 0.00 O ATOM 867 CB ASN A 60 6.582 6.456 6.406 1.00 0.00 C ATOM 868 CG ASN A 60 8.054 6.673 6.053 1.00 0.00 C ATOM 869 OD1 ASN A 60 8.472 6.397 4.945 1.00 0.00 O ATOM 870 ND2 ASN A 60 8.865 7.157 6.953 1.00 0.00 N ATOM 0 H ASN A 60 6.061 8.929 5.942 1.00 0.00 H new ATOM 0 HA ASN A 60 5.871 6.365 4.342 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.333 6.997 7.319 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.396 5.400 6.601 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.849 7.304 6.727 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.515 7.389 7.883 1.00 0.00 H new ATOM 877 N HIS A 61 3.359 6.863 4.630 1.00 0.00 N ATOM 878 CA HIS A 61 1.900 6.725 4.911 1.00 0.00 C ATOM 879 C HIS A 61 1.464 5.268 4.736 1.00 0.00 C ATOM 880 O HIS A 61 2.167 4.464 4.158 1.00 0.00 O ATOM 881 CB HIS A 61 1.211 7.620 3.880 1.00 0.00 C ATOM 882 CG HIS A 61 1.296 6.981 2.520 1.00 0.00 C ATOM 883 ND1 HIS A 61 2.192 5.962 2.238 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.603 7.205 1.356 1.00 0.00 C ATOM 885 CE1 HIS A 61 2.016 5.613 0.949 1.00 0.00 C ATOM 886 NE2 HIS A 61 1.060 6.339 0.366 1.00 0.00 N ATOM 0 H HIS A 61 3.600 7.013 3.650 1.00 0.00 H new ATOM 0 HA HIS A 61 1.647 7.011 5.932 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.168 7.774 4.156 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.684 8.602 3.862 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.862 5.551 2.888 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.177 7.941 1.228 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.580 4.840 0.448 1.00 0.00 H new ATOM 894 N GLN A 62 0.308 4.922 5.232 1.00 0.00 N ATOM 895 CA GLN A 62 -0.174 3.517 5.093 1.00 0.00 C ATOM 896 C GLN A 62 -1.125 3.402 3.900 1.00 0.00 C ATOM 897 O GLN A 62 -2.270 3.805 3.966 1.00 0.00 O ATOM 898 CB GLN A 62 -0.910 3.218 6.399 1.00 0.00 C ATOM 899 CG GLN A 62 0.061 2.592 7.402 1.00 0.00 C ATOM 900 CD GLN A 62 0.878 3.694 8.078 1.00 0.00 C ATOM 901 OE1 GLN A 62 0.349 4.731 8.428 1.00 0.00 O ATOM 902 NE2 GLN A 62 2.155 3.515 8.277 1.00 0.00 N ATOM 0 H GLN A 62 -0.324 5.551 5.728 1.00 0.00 H new ATOM 0 HA GLN A 62 0.642 2.815 4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.331 4.136 6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.743 2.540 6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.490 2.022 8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.725 1.893 6.894 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.600 2.645 7.984 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.708 4.245 8.726 1.00 0.00 H new ATOM 911 N ILE A 63 -0.662 2.857 2.808 1.00 0.00 N ATOM 912 CA ILE A 63 -1.542 2.720 1.611 1.00 0.00 C ATOM 913 C ILE A 63 -2.625 1.669 1.867 1.00 0.00 C ATOM 914 O ILE A 63 -2.520 0.861 2.769 1.00 0.00 O ATOM 915 CB ILE A 63 -0.611 2.265 0.487 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.427 3.356 0.216 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.428 2.013 -0.782 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.295 2.949 -0.976 1.00 0.00 C ATOM 0 H ILE A 63 0.287 2.501 2.692 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.054 3.651 1.367 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.106 1.345 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.071 4.304 0.010 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.049 3.508 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.764 1.689 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.170 1.238 -0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.933 2.933 -1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.035 3.726 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.804 2.011 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.666 2.819 -1.857 1.00 0.00 H new ATOM 930 N GLU A 64 -3.665 1.675 1.080 1.00 0.00 N ATOM 931 CA GLU A 64 -4.755 0.676 1.276 1.00 0.00 C ATOM 932 C GLU A 64 -5.007 -0.090 -0.026 1.00 0.00 C ATOM 933 O GLU A 64 -5.215 0.496 -1.071 1.00 0.00 O ATOM 934 CB GLU A 64 -5.984 1.500 1.661 1.00 0.00 C ATOM 935 CG GLU A 64 -6.122 1.530 3.184 1.00 0.00 C ATOM 936 CD GLU A 64 -7.123 0.462 3.628 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.745 -0.134 2.764 1.00 0.00 O ATOM 938 OE2 GLU A 64 -7.250 0.258 4.824 1.00 0.00 O ATOM 0 H GLU A 64 -3.808 2.328 0.310 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.507 -0.063 2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.891 2.515 1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.879 1.069 1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.153 1.352 3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.457 2.515 3.510 1.00 0.00 H new ATOM 945 N PHE A 65 -4.989 -1.394 0.027 1.00 0.00 N ATOM 946 CA PHE A 65 -5.226 -2.194 -1.208 1.00 0.00 C ATOM 947 C PHE A 65 -6.380 -1.592 -2.015 1.00 0.00 C ATOM 948 O PHE A 65 -6.405 -1.662 -3.228 1.00 0.00 O ATOM 949 CB PHE A 65 -5.594 -3.592 -0.710 1.00 0.00 C ATOM 950 CG PHE A 65 -5.776 -4.514 -1.891 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.765 -4.628 -2.853 1.00 0.00 C ATOM 952 CD2 PHE A 65 -6.957 -5.255 -2.026 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.934 -5.483 -3.948 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.126 -6.110 -3.121 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.115 -6.224 -4.083 1.00 0.00 C ATOM 0 H PHE A 65 -4.820 -1.940 0.872 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.355 -2.210 -1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.812 -3.974 -0.054 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.511 -3.551 -0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.855 -4.056 -2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.737 -5.166 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.154 -5.572 -4.689 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.036 -6.682 -3.224 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.246 -6.883 -4.929 1.00 0.00 H new ATOM 965 N SER A 66 -7.335 -1.000 -1.351 1.00 0.00 N ATOM 966 CA SER A 66 -8.485 -0.394 -2.081 1.00 0.00 C ATOM 967 C SER A 66 -8.010 0.794 -2.923 1.00 0.00 C ATOM 968 O SER A 66 -7.856 0.694 -4.124 1.00 0.00 O ATOM 969 CB SER A 66 -9.445 0.073 -0.988 1.00 0.00 C ATOM 970 OG SER A 66 -10.569 0.704 -1.588 1.00 0.00 O ATOM 0 H SER A 66 -7.369 -0.910 -0.336 1.00 0.00 H new ATOM 0 HA SER A 66 -8.958 -1.098 -2.765 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.769 -0.776 -0.385 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.940 0.767 -0.316 1.00 0.00 H new ATOM 0 HG SER A 66 -11.188 1.003 -0.889 1.00 0.00 H new ATOM 976 N GLU A 67 -7.776 1.917 -2.302 1.00 0.00 N ATOM 977 CA GLU A 67 -7.311 3.109 -3.067 1.00 0.00 C ATOM 978 C GLU A 67 -6.161 2.722 -4.001 1.00 0.00 C ATOM 979 O GLU A 67 -6.035 3.239 -5.093 1.00 0.00 O ATOM 980 CB GLU A 67 -6.829 4.098 -2.005 1.00 0.00 C ATOM 981 CG GLU A 67 -5.620 3.513 -1.273 1.00 0.00 C ATOM 982 CD GLU A 67 -5.198 4.458 -0.147 1.00 0.00 C ATOM 983 OE1 GLU A 67 -5.966 5.352 0.169 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.114 4.273 0.380 1.00 0.00 O ATOM 0 H GLU A 67 -7.886 2.061 -1.298 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.098 3.532 -3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.561 5.046 -2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.631 4.306 -1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.868 2.533 -0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.794 3.369 -1.970 1.00 0.00 H new ATOM 991 N PHE A 68 -5.322 1.815 -3.581 1.00 0.00 N ATOM 992 CA PHE A 68 -4.182 1.395 -4.445 1.00 0.00 C ATOM 993 C PHE A 68 -4.689 1.003 -5.835 1.00 0.00 C ATOM 994 O PHE A 68 -4.312 1.585 -6.833 1.00 0.00 O ATOM 995 CB PHE A 68 -3.570 0.187 -3.735 1.00 0.00 C ATOM 996 CG PHE A 68 -2.651 -0.545 -4.684 1.00 0.00 C ATOM 997 CD1 PHE A 68 -1.993 0.156 -5.702 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.457 -1.924 -4.545 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.141 -0.523 -6.582 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.605 -2.603 -5.425 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.947 -1.902 -6.443 1.00 0.00 C ATOM 0 H PHE A 68 -5.377 1.346 -2.677 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.455 2.194 -4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.016 0.512 -2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.358 -0.481 -3.387 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.143 1.220 -5.809 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.964 -2.464 -3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.634 0.017 -7.368 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.455 -3.667 -5.318 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.290 -2.426 -7.121 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.542 0.018 -5.909 1.00 0.00 N ATOM 1012 CA LEU A 69 -6.072 -0.411 -7.235 1.00 0.00 C ATOM 1013 C LEU A 69 -7.136 0.575 -7.724 1.00 0.00 C ATOM 1014 O LEU A 69 -7.176 0.935 -8.884 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.689 -1.788 -6.987 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.658 -2.874 -7.299 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.329 -2.528 -6.623 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.161 -4.220 -6.772 1.00 0.00 C ATOM 0 H LEU A 69 -5.895 -0.508 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.296 -0.444 -8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.017 -1.870 -5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.572 -1.920 -7.612 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.512 -2.936 -8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.595 -3.302 -6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.970 -1.569 -6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.475 -2.466 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.427 -4.995 -6.994 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.307 -4.157 -5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.107 -4.468 -7.253 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.999 1.014 -6.849 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.058 1.977 -7.265 1.00 0.00 C ATOM 1032 C ALA A 70 -8.434 3.164 -8.001 1.00 0.00 C ATOM 1033 O ALA A 70 -9.073 3.817 -8.801 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.709 2.437 -5.960 1.00 0.00 C ATOM 0 H ALA A 70 -8.017 0.748 -5.865 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.781 1.527 -7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.502 3.151 -6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.130 1.576 -5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.959 2.912 -5.327 1.00 0.00 H new ATOM 1040 N LEU A 71 -7.187 3.449 -7.737 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.522 4.594 -8.424 1.00 0.00 C ATOM 1042 C LEU A 71 -5.602 4.083 -9.535 1.00 0.00 C ATOM 1043 O LEU A 71 -5.518 4.661 -10.600 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.711 5.293 -7.333 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.574 6.359 -6.657 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -7.845 5.713 -6.103 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -5.788 7.001 -5.511 1.00 0.00 C ATOM 0 H LEU A 71 -6.601 2.939 -7.076 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.239 5.268 -8.893 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.370 4.565 -6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.821 5.751 -7.764 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.843 7.123 -7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.459 6.474 -5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.406 5.256 -6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.577 4.948 -5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.403 7.761 -5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.518 6.237 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.883 7.463 -5.905 1.00 0.00 H new ATOM 1059 N MET A 72 -4.909 3.003 -9.294 1.00 0.00 N ATOM 1060 CA MET A 72 -3.994 2.456 -10.337 1.00 0.00 C ATOM 1061 C MET A 72 -4.764 2.202 -11.635 1.00 0.00 C ATOM 1062 O MET A 72 -4.190 2.122 -12.703 1.00 0.00 O ATOM 1063 CB MET A 72 -3.474 1.140 -9.755 1.00 0.00 C ATOM 1064 CG MET A 72 -1.990 1.285 -9.413 1.00 0.00 C ATOM 1065 SD MET A 72 -1.068 1.736 -10.903 1.00 0.00 S ATOM 1066 CE MET A 72 -0.668 0.055 -11.440 1.00 0.00 C ATOM 0 H MET A 72 -4.937 2.476 -8.421 1.00 0.00 H new ATOM 0 HA MET A 72 -3.184 3.144 -10.579 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.040 0.876 -8.862 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.616 0.332 -10.472 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.856 2.047 -8.645 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.607 0.350 -9.005 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.365 0.020 -11.787 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.794 -0.634 -10.604 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.334 -0.235 -12.253 1.00 0.00 H new ATOM 1076 N SER A 73 -6.060 2.075 -11.553 1.00 0.00 N ATOM 1077 CA SER A 73 -6.866 1.826 -12.783 1.00 0.00 C ATOM 1078 C SER A 73 -6.508 2.851 -13.865 1.00 0.00 C ATOM 1079 O SER A 73 -6.738 2.633 -15.038 1.00 0.00 O ATOM 1080 CB SER A 73 -8.319 1.994 -12.345 1.00 0.00 C ATOM 1081 OG SER A 73 -8.679 0.917 -11.491 1.00 0.00 O ATOM 0 H SER A 73 -6.596 2.133 -10.687 1.00 0.00 H new ATOM 0 HA SER A 73 -6.681 0.839 -13.206 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.447 2.944 -11.825 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.973 2.017 -13.216 1.00 0.00 H new ATOM 0 HG SER A 73 -8.221 1.015 -10.630 1.00 0.00 H new ATOM 1087 N ARG A 74 -5.948 3.964 -13.479 1.00 0.00 N ATOM 1088 CA ARG A 74 -5.578 5.000 -14.486 1.00 0.00 C ATOM 1089 C ARG A 74 -4.870 4.350 -15.677 1.00 0.00 C ATOM 1090 O ARG A 74 -4.893 4.861 -16.779 1.00 0.00 O ATOM 1091 CB ARG A 74 -4.629 5.947 -13.749 1.00 0.00 C ATOM 1092 CG ARG A 74 -5.021 7.395 -14.045 1.00 0.00 C ATOM 1093 CD ARG A 74 -6.164 7.816 -13.117 1.00 0.00 C ATOM 1094 NE ARG A 74 -6.833 8.944 -13.820 1.00 0.00 N ATOM 1095 CZ ARG A 74 -6.956 10.100 -13.227 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -5.941 10.621 -12.593 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -8.095 10.737 -13.269 1.00 0.00 N ATOM 0 H ARG A 74 -5.730 4.201 -12.511 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.449 5.522 -14.881 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.672 5.760 -12.676 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.601 5.766 -14.063 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.163 8.051 -13.903 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.329 7.494 -15.086 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.856 6.992 -12.944 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.788 8.126 -12.142 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.195 8.814 -14.765 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.051 10.125 -12.561 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.038 11.525 -12.130 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.888 10.331 -13.765 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.191 11.641 -12.806 1.00 0.00 H new ATOM 1111 N GLN A 75 -4.241 3.227 -15.465 1.00 0.00 N ATOM 1112 CA GLN A 75 -3.532 2.546 -16.587 1.00 0.00 C ATOM 1113 C GLN A 75 -4.110 1.146 -16.805 1.00 0.00 C ATOM 1114 O GLN A 75 -3.766 0.461 -17.749 1.00 0.00 O ATOM 1115 CB GLN A 75 -2.073 2.459 -16.138 1.00 0.00 C ATOM 1116 CG GLN A 75 -1.154 2.710 -17.336 1.00 0.00 C ATOM 1117 CD GLN A 75 -1.269 1.544 -18.320 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -1.374 1.749 -19.514 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -1.253 0.320 -17.868 1.00 0.00 N ATOM 0 H GLN A 75 -4.187 2.751 -14.564 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.638 3.084 -17.529 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.878 3.193 -15.356 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.871 1.477 -15.711 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.427 3.643 -17.828 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.122 2.816 -17.001 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.165 0.147 -16.867 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.329 -0.464 -18.516 1.00 0.00 H new ATOM 1128 N LEU A 76 -4.987 0.714 -15.941 1.00 0.00 N ATOM 1129 CA LEU A 76 -5.586 -0.643 -16.100 1.00 0.00 C ATOM 1130 C LEU A 76 -7.010 -0.661 -15.536 1.00 0.00 C ATOM 1131 O LEU A 76 -7.429 -1.617 -14.913 1.00 0.00 O ATOM 1132 CB LEU A 76 -4.679 -1.574 -15.296 1.00 0.00 C ATOM 1133 CG LEU A 76 -4.464 -0.995 -13.897 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -4.572 -2.114 -12.859 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -3.074 -0.359 -13.817 1.00 0.00 C ATOM 0 H LEU A 76 -5.315 1.241 -15.132 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.654 -0.945 -17.145 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.128 -2.565 -15.226 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.721 -1.693 -15.803 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.223 -0.239 -13.696 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.419 -1.701 -11.862 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.561 -2.569 -12.916 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.813 -2.870 -13.059 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.920 0.054 -12.820 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.316 -1.116 -14.018 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.996 0.438 -14.556 1.00 0.00 H new ATOM 1147 N LYS A 77 -7.757 0.388 -15.749 1.00 0.00 N ATOM 1148 CA LYS A 77 -9.152 0.428 -15.224 1.00 0.00 C ATOM 1149 C LYS A 77 -9.985 -0.693 -15.849 1.00 0.00 C ATOM 1150 O LYS A 77 -10.196 -0.649 -17.050 1.00 0.00 O ATOM 1151 CB LYS A 77 -9.692 1.796 -15.643 1.00 0.00 C ATOM 1152 CG LYS A 77 -10.885 2.166 -14.759 1.00 0.00 C ATOM 1153 CD LYS A 77 -10.956 3.687 -14.608 1.00 0.00 C ATOM 1154 CE LYS A 77 -12.228 4.208 -15.280 1.00 0.00 C ATOM 1155 NZ LYS A 77 -12.926 4.996 -14.226 1.00 0.00 N ATOM 1156 OXT LYS A 77 -10.399 -1.576 -15.117 1.00 0.00 O ATOM 0 H LYS A 77 -7.462 1.218 -16.263 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.192 0.287 -14.144 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.911 2.551 -15.552 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.994 1.774 -16.690 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.808 1.790 -15.200 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.785 1.697 -13.780 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.952 3.959 -13.552 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.078 4.149 -15.059 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.992 4.828 -16.145 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.851 3.387 -15.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.809 5.386 -14.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.144 4.378 -13.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.312 5.774 -13.911 1.00 0.00 H new TER 1170 LYS A 77