USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 430 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 GLY N :NH3+ 160:sc= 0.865 (180deg=0.612) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.078 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 160:sc= 0.0201 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0271 K(o=-0.027,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.331 USER MOD Single : A 43 ASN : amide:sc= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -127:sc= 1.64 (180deg=-0.336) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.019 -2.679 -3.403 1.00 0.00 N ATOM 2 CA GLY A 1 17.776 -2.177 -2.056 1.00 0.00 C ATOM 3 C GLY A 1 18.320 -0.764 -1.888 1.00 0.00 C ATOM 4 O GLY A 1 19.236 -0.531 -1.100 1.00 0.00 O ATOM 0 H1 GLY A 1 17.959 -3.717 -3.403 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.305 -2.291 -4.052 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.967 -2.387 -3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.706 -2.184 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.245 -2.839 -1.328 1.00 0.00 H new ATOM 10 N THR A 2 17.750 0.176 -2.634 1.00 0.00 N ATOM 11 CA THR A 2 18.158 1.574 -2.549 1.00 0.00 C ATOM 12 C THR A 2 17.401 2.301 -1.445 1.00 0.00 C ATOM 13 O THR A 2 16.444 1.770 -0.881 1.00 0.00 O ATOM 14 CB THR A 2 17.935 2.310 -3.882 1.00 0.00 C ATOM 15 OG1 THR A 2 16.528 2.431 -4.135 1.00 0.00 O ATOM 16 CG2 THR A 2 18.588 1.551 -5.027 1.00 0.00 C ATOM 0 H THR A 2 17.003 -0.005 -3.305 1.00 0.00 H new ATOM 0 HA THR A 2 19.223 1.577 -2.318 1.00 0.00 H new ATOM 0 HB THR A 2 18.386 3.300 -3.812 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.387 2.901 -4.983 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.420 2.087 -5.961 1.00 0.00 H new ATOM 0 HG22 THR A 2 19.659 1.468 -4.844 1.00 0.00 H new ATOM 0 HG23 THR A 2 18.154 0.554 -5.097 1.00 0.00 H new ATOM 24 N ILE A 3 17.834 3.521 -1.142 1.00 0.00 N ATOM 25 CA ILE A 3 17.155 4.352 -0.155 1.00 0.00 C ATOM 26 C ILE A 3 15.728 4.664 -0.586 1.00 0.00 C ATOM 27 O ILE A 3 14.808 4.658 0.232 1.00 0.00 O ATOM 28 CB ILE A 3 17.910 5.671 0.087 1.00 0.00 C ATOM 29 CG1 ILE A 3 19.250 5.402 0.777 1.00 0.00 C ATOM 30 CG2 ILE A 3 17.062 6.624 0.916 1.00 0.00 C ATOM 31 CD1 ILE A 3 20.169 6.602 0.813 1.00 0.00 C ATOM 0 H ILE A 3 18.653 3.956 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 3 17.133 3.783 0.774 1.00 0.00 H new ATOM 0 HB ILE A 3 18.109 6.138 -0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.062 5.069 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 3 19.755 4.584 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.610 7.552 1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 3 16.134 6.839 0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 3 16.833 6.165 1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.098 6.334 1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.388 6.923 -0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.685 7.415 1.353 1.00 0.00 H new ATOM 43 N ASP A 4 15.550 4.936 -1.874 1.00 0.00 N ATOM 44 CA ASP A 4 14.226 5.191 -2.427 1.00 0.00 C ATOM 45 C ASP A 4 13.343 3.954 -2.336 1.00 0.00 C ATOM 46 O ASP A 4 12.149 4.051 -2.051 1.00 0.00 O ATOM 47 CB ASP A 4 14.333 5.654 -3.883 1.00 0.00 C ATOM 48 CG ASP A 4 14.862 7.071 -4.055 1.00 0.00 C ATOM 49 OD1 ASP A 4 14.927 7.783 -3.081 1.00 0.00 O ATOM 50 OD2 ASP A 4 15.343 7.379 -5.120 1.00 0.00 O ATOM 0 H ASP A 4 16.308 4.986 -2.555 1.00 0.00 H new ATOM 0 HA ASP A 4 13.766 5.983 -1.836 1.00 0.00 H new ATOM 0 HB2 ASP A 4 14.985 4.968 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.348 5.588 -4.346 1.00 0.00 H new ATOM 55 N GLU A 5 13.936 2.790 -2.578 1.00 0.00 N ATOM 56 CA GLU A 5 13.220 1.526 -2.458 1.00 0.00 C ATOM 57 C GLU A 5 12.900 1.209 -1.003 1.00 0.00 C ATOM 58 O GLU A 5 11.892 0.570 -0.704 1.00 0.00 O ATOM 59 CB GLU A 5 14.036 0.388 -3.077 1.00 0.00 C ATOM 60 CG GLU A 5 14.148 0.448 -4.594 1.00 0.00 C ATOM 61 CD GLU A 5 15.118 -0.579 -5.110 1.00 0.00 C ATOM 62 OE1 GLU A 5 15.807 -1.171 -4.315 1.00 0.00 O ATOM 63 OE2 GLU A 5 15.092 -0.852 -6.287 1.00 0.00 O ATOM 0 H GLU A 5 14.912 2.696 -2.859 1.00 0.00 H new ATOM 0 HA GLU A 5 12.279 1.623 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.039 0.402 -2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.583 -0.563 -2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.167 0.282 -5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.472 1.443 -4.898 1.00 0.00 H new ATOM 70 N TRP A 6 13.765 1.660 -0.101 1.00 0.00 N ATOM 71 CA TRP A 6 13.534 1.497 1.330 1.00 0.00 C ATOM 72 C TRP A 6 12.352 2.336 1.796 1.00 0.00 C ATOM 73 O TRP A 6 11.528 1.879 2.588 1.00 0.00 O ATOM 74 CB TRP A 6 14.789 1.875 2.119 1.00 0.00 C ATOM 75 CG TRP A 6 15.915 0.898 1.956 1.00 0.00 C ATOM 76 CD1 TRP A 6 15.821 -0.390 1.520 1.00 0.00 C ATOM 77 CD2 TRP A 6 17.302 1.131 2.226 1.00 0.00 C ATOM 78 NE1 TRP A 6 17.062 -0.976 1.502 1.00 0.00 N ATOM 79 CE2 TRP A 6 17.990 -0.060 1.931 1.00 0.00 C ATOM 80 CE3 TRP A 6 18.030 2.234 2.689 1.00 0.00 C ATOM 81 CZ2 TRP A 6 19.362 -0.184 2.084 1.00 0.00 C ATOM 82 CZ3 TRP A 6 19.407 2.110 2.841 1.00 0.00 C ATOM 83 CH2 TRP A 6 20.053 0.936 2.546 1.00 0.00 C ATOM 0 H TRP A 6 14.633 2.142 -0.335 1.00 0.00 H new ATOM 0 HA TRP A 6 13.301 0.448 1.514 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.126 2.862 1.800 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.535 1.951 3.176 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.903 -0.879 1.230 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.262 -1.935 1.217 1.00 0.00 H new ATOM 0 HE3 TRP A 6 17.532 3.163 2.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 19.874 -1.107 1.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 19.979 2.954 3.198 1.00 0.00 H new ATOM 0 HH2 TRP A 6 21.124 0.878 2.675 1.00 0.00 H new ATOM 94 N LEU A 7 12.274 3.566 1.300 1.00 0.00 N ATOM 95 CA LEU A 7 11.146 4.442 1.596 1.00 0.00 C ATOM 96 C LEU A 7 9.848 3.876 1.034 1.00 0.00 C ATOM 97 O LEU A 7 8.829 3.834 1.722 1.00 0.00 O ATOM 98 CB LEU A 7 11.404 5.846 1.034 1.00 0.00 C ATOM 99 CG LEU A 7 12.639 6.558 1.601 1.00 0.00 C ATOM 100 CD1 LEU A 7 13.057 7.693 0.675 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.329 7.087 2.993 1.00 0.00 C ATOM 0 H LEU A 7 12.979 3.980 0.690 1.00 0.00 H new ATOM 0 HA LEU A 7 11.043 4.508 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.511 5.773 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.527 6.464 1.227 1.00 0.00 H new ATOM 0 HG LEU A 7 13.465 5.851 1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 7 13.934 8.193 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.296 7.290 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.240 8.409 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.207 7.592 3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.499 7.791 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.058 6.257 3.646 1.00 0.00 H new ATOM 113 N LEU A 8 9.893 3.442 -0.222 1.00 0.00 N ATOM 114 CA LEU A 8 8.748 2.792 -0.848 1.00 0.00 C ATOM 115 C LEU A 8 8.329 1.550 -0.073 1.00 0.00 C ATOM 116 O LEU A 8 7.139 1.309 0.135 1.00 0.00 O ATOM 117 CB LEU A 8 9.075 2.430 -2.303 1.00 0.00 C ATOM 118 CG LEU A 8 7.886 1.935 -3.135 1.00 0.00 C ATOM 119 CD1 LEU A 8 8.264 0.661 -3.879 1.00 0.00 C ATOM 120 CD2 LEU A 8 6.692 1.693 -2.223 1.00 0.00 C ATOM 0 H LEU A 8 10.710 3.529 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 8 7.912 3.492 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.500 3.306 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.845 1.659 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 8 7.617 2.693 -3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.413 0.317 -4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.105 0.863 -4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.544 -0.110 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.847 1.341 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.950 0.941 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.422 2.623 -1.723 1.00 0.00 H new ATOM 132 N LYS A 9 9.312 0.763 0.350 1.00 0.00 N ATOM 133 CA LYS A 9 9.053 -0.402 1.188 1.00 0.00 C ATOM 134 C LYS A 9 8.311 -0.012 2.459 1.00 0.00 C ATOM 135 O LYS A 9 7.410 -0.723 2.906 1.00 0.00 O ATOM 136 CB LYS A 9 10.363 -1.110 1.540 1.00 0.00 C ATOM 137 CG LYS A 9 10.189 -2.398 2.333 1.00 0.00 C ATOM 138 CD LYS A 9 11.505 -3.150 2.462 1.00 0.00 C ATOM 139 CE LYS A 9 12.092 -3.478 1.098 1.00 0.00 C ATOM 140 NZ LYS A 9 13.455 -4.064 1.205 1.00 0.00 N ATOM 0 H LYS A 9 10.296 0.911 0.126 1.00 0.00 H new ATOM 0 HA LYS A 9 8.422 -1.086 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.899 -1.335 0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.989 -0.426 2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.801 -2.167 3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.451 -3.033 1.842 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.215 -2.549 3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.346 -4.071 3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.436 -4.177 0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.133 -2.572 0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.819 -4.273 0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.088 -3.387 1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.413 -4.943 1.760 1.00 0.00 H new ATOM 154 N GLU A 10 8.694 1.119 3.039 1.00 0.00 N ATOM 155 CA GLU A 10 8.045 1.621 4.245 1.00 0.00 C ATOM 156 C GLU A 10 6.664 2.186 3.933 1.00 0.00 C ATOM 157 O GLU A 10 5.740 2.069 4.736 1.00 0.00 O ATOM 158 CB GLU A 10 8.912 2.689 4.914 1.00 0.00 C ATOM 159 CG GLU A 10 10.165 2.151 5.590 1.00 0.00 C ATOM 160 CD GLU A 10 11.010 3.266 6.140 1.00 0.00 C ATOM 161 OE1 GLU A 10 10.660 4.404 5.945 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.943 2.980 6.853 1.00 0.00 O ATOM 0 H GLU A 10 9.452 1.707 2.693 1.00 0.00 H new ATOM 0 HA GLU A 10 7.923 0.783 4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.206 3.423 4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.311 3.215 5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.884 1.473 6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.746 1.570 4.874 1.00 0.00 H new ATOM 169 N ALA A 11 6.533 2.798 2.761 1.00 0.00 N ATOM 170 CA ALA A 11 5.261 3.371 2.335 1.00 0.00 C ATOM 171 C ALA A 11 4.207 2.290 2.141 1.00 0.00 C ATOM 172 O ALA A 11 3.026 2.504 2.419 1.00 0.00 O ATOM 173 CB ALA A 11 5.444 4.174 1.055 1.00 0.00 C ATOM 0 H ALA A 11 7.292 2.910 2.089 1.00 0.00 H new ATOM 0 HA ALA A 11 4.912 4.040 3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.486 4.595 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.156 4.981 1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.821 3.522 0.267 1.00 0.00 H new ATOM 179 N LYS A 12 4.638 1.128 1.664 1.00 0.00 N ATOM 180 CA LYS A 12 3.743 -0.009 1.489 1.00 0.00 C ATOM 181 C LYS A 12 3.108 -0.419 2.811 1.00 0.00 C ATOM 182 O LYS A 12 1.899 -0.636 2.889 1.00 0.00 O ATOM 183 CB LYS A 12 4.494 -1.193 0.877 1.00 0.00 C ATOM 184 CG LYS A 12 4.937 -0.981 -0.564 1.00 0.00 C ATOM 185 CD LYS A 12 6.022 -1.969 -0.962 1.00 0.00 C ATOM 186 CE LYS A 12 6.389 -1.829 -2.432 1.00 0.00 C ATOM 187 NZ LYS A 12 7.462 -2.780 -2.831 1.00 0.00 N ATOM 0 H LYS A 12 5.604 0.949 1.391 1.00 0.00 H new ATOM 0 HA LYS A 12 2.947 0.295 0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.372 -1.405 1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.855 -2.075 0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.081 -1.091 -1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.307 0.037 -0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.907 -1.806 -0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.680 -2.985 -0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.504 -2.002 -3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.718 -0.808 -2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.682 -2.652 -3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.315 -2.598 -2.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.140 -3.755 -2.668 1.00 0.00 H new ATOM 201 N GLU A 13 3.931 -0.522 3.850 1.00 0.00 N ATOM 202 CA GLU A 13 3.452 -0.914 5.170 1.00 0.00 C ATOM 203 C GLU A 13 2.616 0.192 5.803 1.00 0.00 C ATOM 204 O GLU A 13 1.564 -0.068 6.386 1.00 0.00 O ATOM 205 CB GLU A 13 4.627 -1.272 6.082 1.00 0.00 C ATOM 206 CG GLU A 13 5.352 -2.554 5.698 1.00 0.00 C ATOM 207 CD GLU A 13 6.551 -2.786 6.575 1.00 0.00 C ATOM 208 OE1 GLU A 13 6.833 -1.950 7.399 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.120 -3.851 6.499 1.00 0.00 O ATOM 0 H GLU A 13 4.933 -0.339 3.803 1.00 0.00 H new ATOM 0 HA GLU A 13 2.819 -1.793 5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.341 -0.449 6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.262 -1.368 7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.669 -3.399 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.666 -2.499 4.656 1.00 0.00 H new ATOM 216 N LYS A 14 3.092 1.427 5.686 1.00 0.00 N ATOM 217 CA LYS A 14 2.473 2.555 6.371 1.00 0.00 C ATOM 218 C LYS A 14 1.083 2.841 5.815 1.00 0.00 C ATOM 219 O LYS A 14 0.173 3.214 6.555 1.00 0.00 O ATOM 220 CB LYS A 14 3.352 3.801 6.254 1.00 0.00 C ATOM 221 CG LYS A 14 4.594 3.779 7.136 1.00 0.00 C ATOM 222 CD LYS A 14 5.388 5.070 7.005 1.00 0.00 C ATOM 223 CE LYS A 14 4.520 6.287 7.286 1.00 0.00 C ATOM 224 NZ LYS A 14 4.311 6.497 8.745 1.00 0.00 N ATOM 0 H LYS A 14 3.906 1.672 5.122 1.00 0.00 H new ATOM 0 HA LYS A 14 2.372 2.291 7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.661 3.917 5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.756 4.677 6.509 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.302 3.633 8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.223 2.933 6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.229 5.053 7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.804 5.142 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.987 7.173 6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.554 6.165 6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.715 7.336 8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.842 5.663 9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.230 6.639 9.210 1.00 0.00 H new ATOM 238 N ALA A 15 0.927 2.664 4.507 1.00 0.00 N ATOM 239 CA ALA A 15 -0.303 3.048 3.825 1.00 0.00 C ATOM 240 C ALA A 15 -1.460 2.140 4.223 1.00 0.00 C ATOM 241 O ALA A 15 -2.569 2.608 4.482 1.00 0.00 O ATOM 242 CB ALA A 15 -0.102 3.024 2.317 1.00 0.00 C ATOM 0 H ALA A 15 1.637 2.257 3.898 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.554 4.064 4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.029 3.313 1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.688 3.723 2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.179 2.019 2.003 1.00 0.00 H new ATOM 248 N ILE A 16 -1.195 0.838 4.269 1.00 0.00 N ATOM 249 CA ILE A 16 -2.243 -0.149 4.500 1.00 0.00 C ATOM 250 C ILE A 16 -2.706 -0.131 5.951 1.00 0.00 C ATOM 251 O ILE A 16 -3.825 -0.542 6.259 1.00 0.00 O ATOM 252 CB ILE A 16 -1.770 -1.569 4.138 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.233 -1.604 2.705 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.905 -2.566 4.309 1.00 0.00 C ATOM 255 CD1 ILE A 16 -2.094 -0.858 1.711 1.00 0.00 C ATOM 0 H ILE A 16 -0.263 0.442 4.149 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.078 0.121 3.853 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.962 -1.849 4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.229 -1.179 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.143 -2.642 2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.554 -3.565 4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.243 -2.558 5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.733 -2.291 3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.648 -0.928 0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.092 -1.297 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.164 0.190 2.004 1.00 0.00 H new ATOM 267 N GLU A 17 -1.840 0.346 6.838 1.00 0.00 N ATOM 268 CA GLU A 17 -2.189 0.495 8.245 1.00 0.00 C ATOM 269 C GLU A 17 -3.527 1.205 8.410 1.00 0.00 C ATOM 270 O GLU A 17 -4.302 0.887 9.311 1.00 0.00 O ATOM 271 CB GLU A 17 -1.092 1.261 8.990 1.00 0.00 C ATOM 272 CG GLU A 17 -1.323 1.388 10.490 1.00 0.00 C ATOM 273 CD GLU A 17 -0.176 2.090 11.161 1.00 0.00 C ATOM 274 OE1 GLU A 17 0.751 2.459 10.480 1.00 0.00 O ATOM 275 OE2 GLU A 17 -0.274 2.357 12.335 1.00 0.00 O ATOM 0 H GLU A 17 -0.890 0.636 6.607 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.279 -0.503 8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.138 0.761 8.822 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.008 2.260 8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.246 1.938 10.673 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.451 0.397 10.926 1.00 0.00 H new ATOM 282 N GLU A 18 -3.792 2.168 7.534 1.00 0.00 N ATOM 283 CA GLU A 18 -5.081 2.847 7.508 1.00 0.00 C ATOM 284 C GLU A 18 -6.203 1.884 7.139 1.00 0.00 C ATOM 285 O GLU A 18 -7.294 1.942 7.706 1.00 0.00 O ATOM 286 CB GLU A 18 -5.050 4.020 6.525 1.00 0.00 C ATOM 287 CG GLU A 18 -4.140 5.165 6.943 1.00 0.00 C ATOM 288 CD GLU A 18 -4.035 6.203 5.859 1.00 0.00 C ATOM 289 OE1 GLU A 18 -4.558 5.976 4.794 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.532 7.268 6.131 1.00 0.00 O ATOM 0 H GLU A 18 -3.129 2.496 6.831 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.276 3.230 8.510 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.728 3.653 5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.063 4.403 6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.525 5.624 7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.148 4.778 7.176 1.00 0.00 H new ATOM 297 N LEU A 19 -5.927 1.000 6.186 1.00 0.00 N ATOM 298 CA LEU A 19 -6.899 -0.004 5.768 1.00 0.00 C ATOM 299 C LEU A 19 -7.204 -0.979 6.898 1.00 0.00 C ATOM 300 O LEU A 19 -8.345 -1.409 7.069 1.00 0.00 O ATOM 301 CB LEU A 19 -6.385 -0.757 4.535 1.00 0.00 C ATOM 302 CG LEU A 19 -6.870 -0.211 3.187 1.00 0.00 C ATOM 303 CD1 LEU A 19 -6.864 1.312 3.208 1.00 0.00 C ATOM 304 CD2 LEU A 19 -5.976 -0.737 2.073 1.00 0.00 C ATOM 0 H LEU A 19 -5.038 0.958 5.688 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.826 0.508 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.295 -0.738 4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.686 -1.801 4.615 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.891 -0.546 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.210 1.691 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.526 1.668 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.851 1.669 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.322 -0.348 1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.950 -0.414 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.016 -1.826 2.058 1.00 0.00 H new ATOM 316 N LYS A 20 -6.178 -1.326 7.666 1.00 0.00 N ATOM 317 CA LYS A 20 -6.354 -2.159 8.850 1.00 0.00 C ATOM 318 C LYS A 20 -7.271 -1.486 9.865 1.00 0.00 C ATOM 319 O LYS A 20 -8.098 -2.143 10.499 1.00 0.00 O ATOM 320 CB LYS A 20 -5.001 -2.472 9.491 1.00 0.00 C ATOM 321 CG LYS A 20 -4.058 -3.279 8.607 1.00 0.00 C ATOM 322 CD LYS A 20 -2.795 -3.670 9.359 1.00 0.00 C ATOM 323 CE LYS A 20 -1.804 -4.378 8.446 1.00 0.00 C ATOM 324 NZ LYS A 20 -0.530 -4.693 9.146 1.00 0.00 N ATOM 0 H LYS A 20 -5.214 -1.043 7.490 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.820 -3.092 8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.514 -1.534 9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.170 -3.021 10.418 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.566 -4.176 8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.793 -2.695 7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.331 -2.779 9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.053 -4.322 10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.250 -5.300 8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.596 -3.750 7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.117 -5.174 8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.091 -3.812 9.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.724 -5.313 9.958 1.00 0.00 H new ATOM 338 N LYS A 21 -7.120 -0.175 10.014 1.00 0.00 N ATOM 339 CA LYS A 21 -8.019 0.609 10.852 1.00 0.00 C ATOM 340 C LYS A 21 -9.409 0.699 10.235 1.00 0.00 C ATOM 341 O LYS A 21 -10.403 0.857 10.943 1.00 0.00 O ATOM 342 CB LYS A 21 -7.453 2.012 11.079 1.00 0.00 C ATOM 343 CG LYS A 21 -6.218 2.056 11.968 1.00 0.00 C ATOM 344 CD LYS A 21 -5.666 3.470 12.080 1.00 0.00 C ATOM 345 CE LYS A 21 -4.399 3.505 12.922 1.00 0.00 C ATOM 346 NZ LYS A 21 -3.819 4.874 12.996 1.00 0.00 N ATOM 0 H LYS A 21 -6.382 0.368 9.565 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.105 0.102 11.813 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.206 2.452 10.113 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.228 2.636 11.524 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.469 1.682 12.961 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.452 1.395 11.562 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.454 3.860 11.084 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.418 4.122 12.524 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.622 3.150 13.928 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.663 2.821 12.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.958 4.855 13.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.582 5.203 12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.511 5.522 13.423 1.00 0.00 H new ATOM 360 N ALA A 22 -9.471 0.596 8.911 1.00 0.00 N ATOM 361 CA ALA A 22 -10.724 0.772 8.188 1.00 0.00 C ATOM 362 C ALA A 22 -11.528 -0.522 8.158 1.00 0.00 C ATOM 363 O ALA A 22 -12.677 -0.540 7.714 1.00 0.00 O ATOM 364 CB ALA A 22 -10.455 1.266 6.775 1.00 0.00 C ATOM 0 H ALA A 22 -8.667 0.391 8.317 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.315 1.522 8.714 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.401 1.393 6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.932 2.221 6.817 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.839 0.538 6.246 1.00 0.00 H new ATOM 370 N GLY A 23 -10.918 -1.604 8.631 1.00 0.00 N ATOM 371 CA GLY A 23 -11.594 -2.893 8.709 1.00 0.00 C ATOM 372 C GLY A 23 -11.399 -3.696 7.430 1.00 0.00 C ATOM 373 O GLY A 23 -12.157 -4.623 7.145 1.00 0.00 O ATOM 0 H GLY A 23 -9.955 -1.613 8.967 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.209 -3.458 9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.658 -2.738 8.885 1.00 0.00 H new ATOM 377 N ILE A 24 -10.377 -3.335 6.661 1.00 0.00 N ATOM 378 CA ILE A 24 -10.059 -4.043 5.427 1.00 0.00 C ATOM 379 C ILE A 24 -9.142 -5.230 5.692 1.00 0.00 C ATOM 380 O ILE A 24 -8.088 -5.084 6.312 1.00 0.00 O ATOM 381 CB ILE A 24 -9.394 -3.113 4.396 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.299 -1.914 4.098 1.00 0.00 C ATOM 383 CG2 ILE A 24 -9.076 -3.874 3.119 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.629 -2.290 3.485 1.00 0.00 C ATOM 0 H ILE A 24 -9.754 -2.555 6.871 1.00 0.00 H new ATOM 0 HA ILE A 24 -11.004 -4.403 5.021 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.458 -2.743 4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.478 -1.367 5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.777 -1.236 3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.606 -3.201 2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.396 -4.695 3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.997 -4.272 2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.214 -1.388 3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.461 -2.810 2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.173 -2.943 4.168 1.00 0.00 H new ATOM 396 N THR A 25 -9.549 -6.404 5.221 1.00 0.00 N ATOM 397 CA THR A 25 -8.807 -7.632 5.482 1.00 0.00 C ATOM 398 C THR A 25 -8.459 -8.350 4.185 1.00 0.00 C ATOM 399 O THR A 25 -7.984 -9.486 4.201 1.00 0.00 O ATOM 400 CB THR A 25 -9.602 -8.589 6.388 1.00 0.00 C ATOM 401 OG1 THR A 25 -10.858 -8.904 5.772 1.00 0.00 O ATOM 402 CG2 THR A 25 -9.853 -7.952 7.746 1.00 0.00 C ATOM 0 H THR A 25 -10.389 -6.531 4.656 1.00 0.00 H new ATOM 0 HA THR A 25 -7.888 -7.342 5.992 1.00 0.00 H new ATOM 0 HB THR A 25 -9.020 -9.500 6.527 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.362 -9.515 6.350 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.416 -8.643 8.373 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.900 -7.724 8.223 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.423 -7.032 7.617 1.00 0.00 H new ATOM 410 N SER A 26 -8.698 -7.682 3.061 1.00 0.00 N ATOM 411 CA SER A 26 -8.465 -8.277 1.750 1.00 0.00 C ATOM 412 C SER A 26 -6.976 -8.356 1.438 1.00 0.00 C ATOM 413 O SER A 26 -6.338 -7.343 1.152 1.00 0.00 O ATOM 414 CB SER A 26 -9.188 -7.484 0.681 1.00 0.00 C ATOM 415 OG SER A 26 -8.929 -7.976 -0.606 1.00 0.00 O ATOM 0 H SER A 26 -9.054 -6.726 3.032 1.00 0.00 H new ATOM 0 HA SER A 26 -8.858 -9.293 1.763 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.261 -7.514 0.871 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.884 -6.439 0.737 1.00 0.00 H new ATOM 0 HG SER A 26 -9.630 -7.672 -1.220 1.00 0.00 H new ATOM 421 N ASP A 27 -6.429 -9.565 1.493 1.00 0.00 N ATOM 422 CA ASP A 27 -5.023 -9.785 1.174 1.00 0.00 C ATOM 423 C ASP A 27 -4.756 -9.579 -0.311 1.00 0.00 C ATOM 424 O ASP A 27 -3.646 -9.225 -0.709 1.00 0.00 O ATOM 425 CB ASP A 27 -4.590 -11.191 1.596 1.00 0.00 C ATOM 426 CG ASP A 27 -4.449 -11.381 3.100 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.448 -10.401 3.805 1.00 0.00 O ATOM 428 OD2 ASP A 27 -4.499 -12.504 3.544 1.00 0.00 O ATOM 0 H ASP A 27 -6.938 -10.409 1.756 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.438 -9.053 1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.316 -11.910 1.218 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.636 -11.422 1.122 1.00 0.00 H new ATOM 433 N TYR A 28 -5.781 -9.802 -1.128 1.00 0.00 N ATOM 434 CA TYR A 28 -5.663 -9.629 -2.570 1.00 0.00 C ATOM 435 C TYR A 28 -5.167 -8.231 -2.918 1.00 0.00 C ATOM 436 O TYR A 28 -4.155 -8.073 -3.601 1.00 0.00 O ATOM 437 CB TYR A 28 -7.006 -9.895 -3.253 1.00 0.00 C ATOM 438 CG TYR A 28 -6.998 -9.637 -4.744 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.478 -10.573 -5.626 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.512 -8.459 -5.264 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.468 -10.341 -6.989 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.507 -8.217 -6.623 1.00 0.00 C ATOM 443 CZ TYR A 28 -6.985 -9.160 -7.483 1.00 0.00 C ATOM 444 OH TYR A 28 -6.979 -8.925 -8.839 1.00 0.00 O ATOM 0 H TYR A 28 -6.704 -10.103 -0.814 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.932 -10.351 -2.934 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.294 -10.931 -3.075 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.768 -9.268 -2.790 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.074 -11.498 -5.242 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.923 -7.718 -4.594 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.058 -11.079 -7.663 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.910 -7.293 -7.011 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.380 -8.049 -9.021 1.00 0.00 H new ATOM 454 N TYR A 29 -5.886 -7.219 -2.446 1.00 0.00 N ATOM 455 CA TYR A 29 -5.558 -5.834 -2.760 1.00 0.00 C ATOM 456 C TYR A 29 -4.294 -5.390 -2.034 1.00 0.00 C ATOM 457 O TYR A 29 -3.559 -4.529 -2.518 1.00 0.00 O ATOM 458 CB TYR A 29 -6.724 -4.912 -2.394 1.00 0.00 C ATOM 459 CG TYR A 29 -7.941 -5.086 -3.275 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.901 -4.747 -4.619 1.00 0.00 C ATOM 461 CD2 TYR A 29 -9.128 -5.585 -2.759 1.00 0.00 C ATOM 462 CE1 TYR A 29 -9.009 -4.904 -5.428 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.244 -5.746 -3.559 1.00 0.00 C ATOM 464 CZ TYR A 29 -10.180 -5.403 -4.895 1.00 0.00 C ATOM 465 OH TYR A 29 -11.288 -5.560 -5.695 1.00 0.00 O ATOM 0 H TYR A 29 -6.701 -7.332 -1.843 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.377 -5.769 -3.833 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.008 -5.095 -1.358 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.389 -3.877 -2.454 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.988 -4.353 -5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.181 -5.852 -1.714 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.959 -4.637 -6.473 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.160 -6.138 -3.142 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.027 -5.923 -5.163 1.00 0.00 H new ATOM 475 N PHE A 30 -4.046 -5.982 -0.872 1.00 0.00 N ATOM 476 CA PHE A 30 -2.802 -5.757 -0.146 1.00 0.00 C ATOM 477 C PHE A 30 -1.601 -6.234 -0.951 1.00 0.00 C ATOM 478 O PHE A 30 -0.500 -5.697 -0.821 1.00 0.00 O ATOM 479 CB PHE A 30 -2.839 -6.460 1.212 1.00 0.00 C ATOM 480 CG PHE A 30 -3.829 -5.867 2.175 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.749 -4.920 1.751 1.00 0.00 C ATOM 482 CD2 PHE A 30 -3.842 -6.258 3.505 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.659 -4.374 2.635 1.00 0.00 C ATOM 484 CE2 PHE A 30 -4.753 -5.714 4.391 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.661 -4.772 3.957 1.00 0.00 C ATOM 0 H PHE A 30 -4.692 -6.623 -0.411 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.699 -4.684 0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.080 -7.512 1.060 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.845 -6.422 1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.754 -4.606 0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.133 -6.995 3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.369 -3.636 2.292 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.753 -6.027 5.425 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.372 -4.346 4.649 1.00 0.00 H new ATOM 495 N ASP A 31 -1.817 -7.247 -1.783 1.00 0.00 N ATOM 496 CA ASP A 31 -0.768 -7.759 -2.657 1.00 0.00 C ATOM 497 C ASP A 31 -0.437 -6.763 -3.762 1.00 0.00 C ATOM 498 O ASP A 31 0.710 -6.664 -4.198 1.00 0.00 O ATOM 499 CB ASP A 31 -1.184 -9.100 -3.266 1.00 0.00 C ATOM 500 CG ASP A 31 -1.143 -10.272 -2.294 1.00 0.00 C ATOM 501 OD1 ASP A 31 -0.575 -10.123 -1.238 1.00 0.00 O ATOM 502 OD2 ASP A 31 -1.810 -11.248 -2.544 1.00 0.00 O ATOM 0 H ASP A 31 -2.711 -7.731 -1.871 1.00 0.00 H new ATOM 0 HA ASP A 31 0.126 -7.907 -2.052 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.195 -9.007 -3.662 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.530 -9.320 -4.110 1.00 0.00 H new ATOM 507 N LEU A 32 -1.447 -6.027 -4.209 1.00 0.00 N ATOM 508 CA LEU A 32 -1.315 -5.181 -5.390 1.00 0.00 C ATOM 509 C LEU A 32 -0.280 -4.086 -5.170 1.00 0.00 C ATOM 510 O LEU A 32 0.442 -3.707 -6.093 1.00 0.00 O ATOM 511 CB LEU A 32 -2.673 -4.568 -5.758 1.00 0.00 C ATOM 512 CG LEU A 32 -3.455 -5.316 -6.845 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.808 -6.717 -6.364 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.711 -4.533 -7.197 1.00 0.00 C ATOM 0 H LEU A 32 -2.368 -5.998 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.973 -5.804 -6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.287 -4.520 -4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.513 -3.542 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.838 -5.409 -7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.363 -7.240 -7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.893 -7.266 -6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.421 -6.649 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.267 -5.065 -7.969 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.335 -4.427 -6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.433 -3.545 -7.565 1.00 0.00 H new ATOM 526 N ILE A 33 -0.212 -3.582 -3.943 1.00 0.00 N ATOM 527 CA ILE A 33 0.748 -2.542 -3.595 1.00 0.00 C ATOM 528 C ILE A 33 2.171 -3.085 -3.588 1.00 0.00 C ATOM 529 O ILE A 33 3.136 -2.327 -3.683 1.00 0.00 O ATOM 530 CB ILE A 33 0.438 -1.923 -2.219 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.474 -2.999 -1.131 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.915 -1.230 -2.241 1.00 0.00 C ATOM 533 CD1 ILE A 33 0.963 -2.495 0.209 1.00 0.00 C ATOM 0 H ILE A 33 -0.811 -3.877 -3.172 1.00 0.00 H new ATOM 0 HA ILE A 33 0.662 -1.768 -4.358 1.00 0.00 H new ATOM 0 HB ILE A 33 1.201 -1.178 -1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.527 -3.414 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.119 -3.814 -1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.119 -0.798 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.907 -0.439 -2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.691 -1.955 -2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.961 -3.314 0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.976 -2.107 0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.305 -1.701 0.561 1.00 0.00 H new ATOM 545 N ASN A 34 2.295 -4.403 -3.476 1.00 0.00 N ATOM 546 CA ASN A 34 3.598 -5.055 -3.504 1.00 0.00 C ATOM 547 C ASN A 34 4.160 -5.105 -4.918 1.00 0.00 C ATOM 548 O ASN A 34 5.371 -5.019 -5.119 1.00 0.00 O ATOM 549 CB ASN A 34 3.532 -6.453 -2.916 1.00 0.00 C ATOM 550 CG ASN A 34 3.326 -6.475 -1.427 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.710 -5.541 -0.712 1.00 0.00 O ATOM 552 ND2 ASN A 34 2.795 -7.571 -0.947 1.00 0.00 N ATOM 0 H ASN A 34 1.507 -5.041 -3.365 1.00 0.00 H new ATOM 0 HA ASN A 34 4.269 -4.457 -2.887 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.720 -7.000 -3.394 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.455 -6.981 -3.154 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.682 -7.684 0.060 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.494 -8.312 -1.580 1.00 0.00 H new ATOM 559 N LYS A 35 3.272 -5.244 -5.897 1.00 0.00 N ATOM 560 CA LYS A 35 3.636 -5.049 -7.296 1.00 0.00 C ATOM 561 C LYS A 35 4.006 -3.598 -7.571 1.00 0.00 C ATOM 562 O LYS A 35 4.765 -3.305 -8.495 1.00 0.00 O ATOM 563 CB LYS A 35 2.492 -5.484 -8.213 1.00 0.00 C ATOM 564 CG LYS A 35 2.816 -5.413 -9.699 1.00 0.00 C ATOM 565 CD LYS A 35 1.673 -5.959 -10.540 1.00 0.00 C ATOM 566 CE LYS A 35 1.995 -5.889 -12.026 1.00 0.00 C ATOM 567 NZ LYS A 35 0.882 -6.413 -12.863 1.00 0.00 N ATOM 0 H LYS A 35 2.294 -5.491 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 35 4.509 -5.668 -7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.211 -6.507 -7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.623 -4.857 -8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.016 -4.379 -9.981 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.724 -5.981 -9.903 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.473 -6.993 -10.258 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.765 -5.391 -10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.202 -4.855 -12.304 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.901 -6.461 -12.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.142 -6.347 -13.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.701 -7.407 -12.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.024 -5.852 -12.690 1.00 0.00 H new ATOM 581 N ALA A 36 3.465 -2.691 -6.764 1.00 0.00 N ATOM 582 CA ALA A 36 3.622 -1.262 -7.005 1.00 0.00 C ATOM 583 C ALA A 36 5.039 -0.801 -6.688 1.00 0.00 C ATOM 584 O ALA A 36 5.276 -0.138 -5.678 1.00 0.00 O ATOM 585 CB ALA A 36 2.610 -0.473 -6.186 1.00 0.00 C ATOM 0 H ALA A 36 2.914 -2.921 -5.937 1.00 0.00 H new ATOM 0 HA ALA A 36 3.439 -1.077 -8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.739 0.592 -6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.601 -0.772 -6.469 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.764 -0.674 -5.126 1.00 0.00 H new ATOM 591 N LYS A 37 5.979 -1.157 -7.557 1.00 0.00 N ATOM 592 CA LYS A 37 7.381 -0.812 -7.353 1.00 0.00 C ATOM 593 C LYS A 37 7.575 0.699 -7.313 1.00 0.00 C ATOM 594 O LYS A 37 8.677 1.186 -7.060 1.00 0.00 O ATOM 595 CB LYS A 37 8.248 -1.424 -8.455 1.00 0.00 C ATOM 596 CG LYS A 37 9.744 -1.390 -8.168 1.00 0.00 C ATOM 597 CD LYS A 37 10.525 -2.169 -9.215 1.00 0.00 C ATOM 598 CE LYS A 37 12.003 -2.247 -8.861 1.00 0.00 C ATOM 599 NZ LYS A 37 12.769 -3.064 -9.842 1.00 0.00 N ATOM 0 H LYS A 37 5.795 -1.685 -8.410 1.00 0.00 H new ATOM 0 HA LYS A 37 7.690 -1.221 -6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.943 -2.459 -8.608 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.057 -0.894 -9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.089 -0.356 -8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.937 -1.810 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.116 -3.176 -9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.407 -1.693 -10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.420 -1.241 -8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.115 -2.676 -7.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.771 -3.091 -9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.388 -4.032 -9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.684 -2.640 -10.788 1.00 0.00 H new ATOM 613 N THR A 38 6.499 1.436 -7.563 1.00 0.00 N ATOM 614 CA THR A 38 6.492 2.879 -7.353 1.00 0.00 C ATOM 615 C THR A 38 5.670 3.254 -6.126 1.00 0.00 C ATOM 616 O THR A 38 4.731 2.548 -5.757 1.00 0.00 O ATOM 617 CB THR A 38 5.935 3.626 -8.579 1.00 0.00 C ATOM 618 OG1 THR A 38 4.537 3.339 -8.722 1.00 0.00 O ATOM 619 CG2 THR A 38 6.668 3.200 -9.841 1.00 0.00 C ATOM 0 H THR A 38 5.619 1.057 -7.912 1.00 0.00 H new ATOM 0 HA THR A 38 7.529 3.178 -7.197 1.00 0.00 H new ATOM 0 HB THR A 38 6.080 4.696 -8.431 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.183 3.816 -9.501 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.261 3.738 -10.697 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.729 3.428 -9.740 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.540 2.128 -9.992 1.00 0.00 H new ATOM 627 N VAL A 39 6.029 4.368 -5.498 1.00 0.00 N ATOM 628 CA VAL A 39 5.263 4.894 -4.375 1.00 0.00 C ATOM 629 C VAL A 39 3.884 5.364 -4.820 1.00 0.00 C ATOM 630 O VAL A 39 2.896 5.184 -4.107 1.00 0.00 O ATOM 631 CB VAL A 39 5.996 6.063 -3.689 1.00 0.00 C ATOM 632 CG1 VAL A 39 5.101 6.714 -2.645 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.290 5.580 -3.052 1.00 0.00 C ATOM 0 H VAL A 39 6.846 4.924 -5.748 1.00 0.00 H new ATOM 0 HA VAL A 39 5.152 4.078 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 39 6.241 6.807 -4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.635 7.537 -2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.199 7.095 -3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.827 5.977 -1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.795 6.419 -2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.066 4.817 -2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.938 5.158 -3.820 1.00 0.00 H new ATOM 643 N GLU A 40 3.823 5.968 -6.002 1.00 0.00 N ATOM 644 CA GLU A 40 2.567 6.479 -6.538 1.00 0.00 C ATOM 645 C GLU A 40 1.578 5.351 -6.795 1.00 0.00 C ATOM 646 O GLU A 40 0.371 5.515 -6.610 1.00 0.00 O ATOM 647 CB GLU A 40 2.815 7.266 -7.826 1.00 0.00 C ATOM 648 CG GLU A 40 3.528 8.595 -7.625 1.00 0.00 C ATOM 649 CD GLU A 40 3.832 9.257 -8.940 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.555 8.669 -9.958 1.00 0.00 O ATOM 651 OE2 GLU A 40 4.235 10.397 -8.929 1.00 0.00 O ATOM 0 H GLU A 40 4.630 6.116 -6.608 1.00 0.00 H new ATOM 0 HA GLU A 40 2.134 7.147 -5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.405 6.651 -8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.858 7.451 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.908 9.255 -7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.455 8.433 -7.074 1.00 0.00 H new ATOM 658 N GLY A 41 2.095 4.204 -7.222 1.00 0.00 N ATOM 659 CA GLY A 41 1.268 3.020 -7.429 1.00 0.00 C ATOM 660 C GLY A 41 0.590 2.590 -6.134 1.00 0.00 C ATOM 661 O GLY A 41 -0.614 2.333 -6.108 1.00 0.00 O ATOM 0 H GLY A 41 3.084 4.069 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.513 3.228 -8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.884 2.205 -7.809 1.00 0.00 H new ATOM 665 N VAL A 42 1.369 2.512 -5.061 1.00 0.00 N ATOM 666 CA VAL A 42 0.863 2.034 -3.779 1.00 0.00 C ATOM 667 C VAL A 42 -0.282 2.906 -3.279 1.00 0.00 C ATOM 668 O VAL A 42 -1.277 2.401 -2.759 1.00 0.00 O ATOM 669 CB VAL A 42 1.972 1.998 -2.712 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.388 1.673 -1.346 1.00 0.00 C ATOM 671 CG2 VAL A 42 3.042 0.982 -3.088 1.00 0.00 C ATOM 0 H VAL A 42 2.355 2.774 -5.053 1.00 0.00 H new ATOM 0 HA VAL A 42 0.498 1.020 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 42 2.434 2.984 -2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.187 1.652 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.658 2.435 -1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.900 0.699 -1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.818 0.970 -2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.593 -0.008 -3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.483 1.256 -4.047 1.00 0.00 H new ATOM 681 N ASN A 43 -0.133 4.217 -3.439 1.00 0.00 N ATOM 682 CA ASN A 43 -1.172 5.158 -3.038 1.00 0.00 C ATOM 683 C ASN A 43 -2.369 5.091 -3.976 1.00 0.00 C ATOM 684 O ASN A 43 -3.518 5.121 -3.536 1.00 0.00 O ATOM 685 CB ASN A 43 -0.637 6.578 -2.972 1.00 0.00 C ATOM 686 CG ASN A 43 -1.625 7.571 -2.425 1.00 0.00 C ATOM 687 OD1 ASN A 43 -2.054 7.478 -1.269 1.00 0.00 O ATOM 688 ND2 ASN A 43 -2.048 8.473 -3.273 1.00 0.00 N ATOM 0 H ASN A 43 0.697 4.651 -3.843 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.500 4.869 -2.040 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.259 6.591 -2.352 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.337 6.891 -3.972 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.765 9.142 -2.991 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.661 8.507 -4.216 1.00 0.00 H new ATOM 695 N ALA A 44 -2.094 4.999 -5.274 1.00 0.00 N ATOM 696 CA ALA A 44 -3.149 4.957 -6.279 1.00 0.00 C ATOM 697 C ALA A 44 -3.999 3.701 -6.134 1.00 0.00 C ATOM 698 O ALA A 44 -5.228 3.764 -6.178 1.00 0.00 O ATOM 699 CB ALA A 44 -2.551 5.038 -7.677 1.00 0.00 C ATOM 0 H ALA A 44 -1.148 4.952 -5.654 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.798 5.819 -6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.351 5.006 -8.417 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.997 5.971 -7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.877 4.196 -7.834 1.00 0.00 H new ATOM 705 N LEU A 45 -3.338 2.561 -5.962 1.00 0.00 N ATOM 706 CA LEU A 45 -4.033 1.296 -5.760 1.00 0.00 C ATOM 707 C LEU A 45 -4.891 1.332 -4.502 1.00 0.00 C ATOM 708 O LEU A 45 -6.088 1.048 -4.547 1.00 0.00 O ATOM 709 CB LEU A 45 -3.024 0.143 -5.685 1.00 0.00 C ATOM 710 CG LEU A 45 -2.166 -0.057 -6.941 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.800 -0.612 -6.557 1.00 0.00 C ATOM 712 CD2 LEU A 45 -2.880 -0.997 -7.900 1.00 0.00 C ATOM 0 H LEU A 45 -2.321 2.488 -5.959 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.694 1.134 -6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.362 0.315 -4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.566 -0.781 -5.484 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.017 0.902 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.198 -0.751 -7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.298 0.087 -5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.925 -1.570 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.270 -1.139 -8.792 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.041 -1.959 -7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.841 -0.568 -8.182 1.00 0.00 H new ATOM 724 N LYS A 46 -4.273 1.683 -3.380 1.00 0.00 N ATOM 725 CA LYS A 46 -4.966 1.706 -2.098 1.00 0.00 C ATOM 726 C LYS A 46 -6.129 2.689 -2.118 1.00 0.00 C ATOM 727 O LYS A 46 -7.157 2.462 -1.478 1.00 0.00 O ATOM 728 CB LYS A 46 -3.996 2.063 -0.970 1.00 0.00 C ATOM 729 CG LYS A 46 -4.465 1.650 0.418 1.00 0.00 C ATOM 730 CD LYS A 46 -3.759 2.451 1.502 1.00 0.00 C ATOM 731 CE LYS A 46 -4.270 3.883 1.555 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.581 4.681 2.606 1.00 0.00 N ATOM 0 H LYS A 46 -3.291 1.956 -3.333 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.366 0.708 -1.918 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.035 1.590 -1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.829 3.140 -0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.542 1.796 0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.275 0.587 0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.913 1.972 2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.685 2.453 1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.123 4.357 0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.343 3.878 1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.289 5.125 3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.970 4.057 3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.002 5.420 2.158 1.00 0.00 H new ATOM 746 N ASP A 47 -5.962 3.780 -2.856 1.00 0.00 N ATOM 747 CA ASP A 47 -6.933 4.868 -2.847 1.00 0.00 C ATOM 748 C ASP A 47 -8.352 4.341 -3.024 1.00 0.00 C ATOM 749 O ASP A 47 -9.286 4.816 -2.378 1.00 0.00 O ATOM 750 CB ASP A 47 -6.611 5.885 -3.944 1.00 0.00 C ATOM 751 CG ASP A 47 -7.360 7.205 -3.817 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.158 7.890 -2.842 1.00 0.00 O ATOM 753 OD2 ASP A 47 -8.004 7.591 -4.763 1.00 0.00 O ATOM 0 H ASP A 47 -5.162 3.935 -3.469 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.870 5.362 -1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.540 6.086 -3.933 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.842 5.442 -4.913 1.00 0.00 H new ATOM 758 N GLU A 48 -8.507 3.357 -3.903 1.00 0.00 N ATOM 759 CA GLU A 48 -9.807 2.744 -4.145 1.00 0.00 C ATOM 760 C GLU A 48 -10.312 2.015 -2.906 1.00 0.00 C ATOM 761 O GLU A 48 -11.505 2.038 -2.604 1.00 0.00 O ATOM 762 CB GLU A 48 -9.732 1.777 -5.329 1.00 0.00 C ATOM 763 CG GLU A 48 -9.542 2.451 -6.680 1.00 0.00 C ATOM 764 CD GLU A 48 -9.367 1.438 -7.776 1.00 0.00 C ATOM 765 OE1 GLU A 48 -9.328 0.268 -7.479 1.00 0.00 O ATOM 766 OE2 GLU A 48 -9.386 1.823 -8.922 1.00 0.00 O ATOM 0 H GLU A 48 -7.747 2.967 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.511 3.541 -4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.908 1.083 -5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.647 1.185 -5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.404 3.081 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.670 3.104 -6.643 1.00 0.00 H new ATOM 773 N ILE A 49 -9.397 1.368 -2.192 1.00 0.00 N ATOM 774 CA ILE A 49 -9.754 0.600 -1.006 1.00 0.00 C ATOM 775 C ILE A 49 -10.030 1.515 0.181 1.00 0.00 C ATOM 776 O ILE A 49 -10.976 1.298 0.937 1.00 0.00 O ATOM 777 CB ILE A 49 -8.645 -0.399 -0.624 1.00 0.00 C ATOM 778 CG1 ILE A 49 -8.349 -1.338 -1.796 1.00 0.00 C ATOM 779 CG2 ILE A 49 -9.045 -1.191 0.611 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.515 -2.219 -2.183 1.00 0.00 C ATOM 0 H ILE A 49 -8.402 1.361 -2.415 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.660 0.046 -1.252 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.738 0.159 -0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.053 -0.743 -2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.499 -1.969 -1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.250 -1.892 0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.208 -0.508 1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.963 -1.742 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.228 -2.855 -3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.798 -2.841 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.361 -1.596 -2.474 1.00 0.00 H new ATOM 792 N LEU A 50 -9.198 2.539 0.337 1.00 0.00 N ATOM 793 CA LEU A 50 -9.355 3.493 1.430 1.00 0.00 C ATOM 794 C LEU A 50 -10.658 4.270 1.299 1.00 0.00 C ATOM 795 O LEU A 50 -11.297 4.601 2.299 1.00 0.00 O ATOM 796 CB LEU A 50 -8.161 4.456 1.467 1.00 0.00 C ATOM 797 CG LEU A 50 -8.175 5.466 2.620 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.055 4.740 3.954 1.00 0.00 C ATOM 799 CD2 LEU A 50 -7.033 6.457 2.443 1.00 0.00 C ATOM 0 H LEU A 50 -8.408 2.730 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.390 2.935 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.244 3.870 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.127 5.004 0.525 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.119 6.012 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.066 5.467 4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.893 4.053 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.120 4.180 3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.044 7.175 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.084 5.922 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.153 6.985 1.497 1.00 0.00 H new ATOM 811 N LYS A 51 -11.049 4.558 0.062 1.00 0.00 N ATOM 812 CA LYS A 51 -12.276 5.301 -0.199 1.00 0.00 C ATOM 813 C LYS A 51 -13.430 4.362 -0.528 1.00 0.00 C ATOM 814 O LYS A 51 -14.465 4.791 -1.037 1.00 0.00 O ATOM 815 CB LYS A 51 -12.065 6.295 -1.343 1.00 0.00 C ATOM 816 CG LYS A 51 -11.072 7.408 -1.034 1.00 0.00 C ATOM 817 CD LYS A 51 -10.938 8.371 -2.203 1.00 0.00 C ATOM 818 CE LYS A 51 -9.977 9.506 -1.880 1.00 0.00 C ATOM 819 NZ LYS A 51 -9.798 10.429 -3.034 1.00 0.00 N ATOM 0 H LYS A 51 -10.534 4.288 -0.776 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.532 5.851 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.720 5.751 -2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.025 6.742 -1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.397 7.952 -0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.098 6.976 -0.803 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.584 7.832 -3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.917 8.781 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.351 10.065 -1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.010 9.092 -1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.136 11.188 -2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.417 9.901 -3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.716 10.844 -3.292 1.00 0.00 H new ATOM 833 N ALA A 52 -13.244 3.079 -0.235 1.00 0.00 N ATOM 834 CA ALA A 52 -14.269 2.076 -0.500 1.00 0.00 C ATOM 835 C ALA A 52 -15.503 2.310 0.362 1.00 0.00 C ATOM 836 O ALA A 52 -16.306 3.144 0.047 1.00 0.00 O ATOM 837 CB ALA A 52 -13.714 0.679 -0.270 1.00 0.00 C ATOM 838 OXT ALA A 52 -15.672 1.660 1.356 1.00 0.00 O ATOM 0 H ALA A 52 -12.392 2.709 0.186 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.568 2.166 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.491 -0.059 -0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.869 0.509 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.384 0.584 0.764 1.00 0.00 H new TER 844 ALA A 52