USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 559 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -60:sc= 0.25 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 45:sc= 0.471 USER MOD Single : A 19 HIS : no HE2:sc= 0.49 K(o=0.49,f=-1.9) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0452 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0191 USER MOD Single : A 42 ASN : amide:sc= -0.575 K(o=-0.57,f=-6.8!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.68! K(o=-1.7!,f=-0.063) USER MOD Single : A 60 SER OG : rot -47:sc= 0.664 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 68 GLN : amide:sc= -1.27 K(o=-1.3,f=-1.9) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 58:sc= 1.2 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.784 -19.594 -25.671 1.00 0.00 N ATOM 2 CA GLY A 1 18.476 -19.683 -25.049 1.00 0.00 C ATOM 3 C GLY A 1 17.346 -19.517 -26.046 1.00 0.00 C ATOM 4 O GLY A 1 16.776 -20.501 -26.518 1.00 0.00 O ATOM 0 H1 GLY A 1 20.521 -19.714 -24.947 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.879 -20.341 -26.389 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.891 -18.664 -26.123 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.379 -20.648 -24.552 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.391 -18.917 -24.278 1.00 0.00 H new ATOM 8 N SER A 2 17.020 -18.269 -26.366 1.00 0.00 N ATOM 9 CA SER A 2 15.948 -17.977 -27.309 1.00 0.00 C ATOM 10 C SER A 2 14.614 -18.516 -26.800 1.00 0.00 C ATOM 11 O SER A 2 13.831 -19.085 -27.560 1.00 0.00 O ATOM 12 CB SER A 2 16.265 -18.581 -28.679 1.00 0.00 C ATOM 13 OG SER A 2 17.195 -17.779 -29.386 1.00 0.00 O ATOM 0 H SER A 2 17.483 -17.444 -25.986 1.00 0.00 H new ATOM 0 HA SER A 2 15.870 -16.894 -27.407 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.668 -19.586 -28.553 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.347 -18.677 -29.259 1.00 0.00 H new ATOM 0 HG SER A 2 17.383 -18.187 -30.257 1.00 0.00 H new ATOM 19 N SER A 3 14.364 -18.333 -25.507 1.00 0.00 N ATOM 20 CA SER A 3 13.128 -18.805 -24.894 1.00 0.00 C ATOM 21 C SER A 3 12.323 -17.638 -24.329 1.00 0.00 C ATOM 22 O SER A 3 12.868 -16.753 -23.672 1.00 0.00 O ATOM 23 CB SER A 3 13.436 -19.811 -23.784 1.00 0.00 C ATOM 24 OG SER A 3 13.918 -21.031 -24.320 1.00 0.00 O ATOM 0 H SER A 3 15.001 -17.862 -24.864 1.00 0.00 H new ATOM 0 HA SER A 3 12.533 -19.296 -25.664 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.177 -19.391 -23.104 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.536 -19.998 -23.198 1.00 0.00 H new ATOM 0 HG SER A 3 14.109 -21.656 -23.590 1.00 0.00 H new ATOM 30 N GLY A 4 11.019 -17.645 -24.592 1.00 0.00 N ATOM 31 CA GLY A 4 10.159 -16.583 -24.104 1.00 0.00 C ATOM 32 C GLY A 4 8.915 -17.114 -23.420 1.00 0.00 C ATOM 33 O GLY A 4 7.800 -16.692 -23.728 1.00 0.00 O ATOM 0 H GLY A 4 10.544 -18.367 -25.134 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.717 -15.960 -23.405 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.867 -15.944 -24.937 1.00 0.00 H new ATOM 37 N SER A 5 9.104 -18.044 -22.489 1.00 0.00 N ATOM 38 CA SER A 5 7.988 -18.637 -21.762 1.00 0.00 C ATOM 39 C SER A 5 8.031 -18.248 -20.288 1.00 0.00 C ATOM 40 O SER A 5 7.766 -19.069 -19.410 1.00 0.00 O ATOM 41 CB SER A 5 8.014 -20.160 -21.900 1.00 0.00 C ATOM 42 OG SER A 5 6.798 -20.734 -21.454 1.00 0.00 O ATOM 0 H SER A 5 10.020 -18.403 -22.221 1.00 0.00 H new ATOM 0 HA SER A 5 7.062 -18.256 -22.193 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.187 -20.431 -22.942 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.845 -20.566 -21.323 1.00 0.00 H new ATOM 0 HG SER A 5 6.653 -20.503 -20.513 1.00 0.00 H new ATOM 48 N SER A 6 8.366 -16.989 -20.024 1.00 0.00 N ATOM 49 CA SER A 6 8.448 -16.490 -18.656 1.00 0.00 C ATOM 50 C SER A 6 8.187 -14.987 -18.610 1.00 0.00 C ATOM 51 O SER A 6 8.682 -14.234 -19.447 1.00 0.00 O ATOM 52 CB SER A 6 9.822 -16.799 -18.060 1.00 0.00 C ATOM 53 OG SER A 6 9.742 -16.969 -16.655 1.00 0.00 O ATOM 0 H SER A 6 8.585 -16.296 -20.739 1.00 0.00 H new ATOM 0 HA SER A 6 7.682 -16.993 -18.065 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.225 -17.703 -18.516 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.513 -15.989 -18.293 1.00 0.00 H new ATOM 0 HG SER A 6 10.633 -17.167 -16.298 1.00 0.00 H new ATOM 59 N GLY A 7 7.406 -14.559 -17.623 1.00 0.00 N ATOM 60 CA GLY A 7 7.092 -13.149 -17.484 1.00 0.00 C ATOM 61 C GLY A 7 6.106 -12.882 -16.365 1.00 0.00 C ATOM 62 O GLY A 7 4.953 -13.311 -16.427 1.00 0.00 O ATOM 0 H GLY A 7 6.985 -15.163 -16.917 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.010 -12.592 -17.296 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.681 -12.777 -18.423 1.00 0.00 H new ATOM 66 N ASP A 8 6.558 -12.173 -15.336 1.00 0.00 N ATOM 67 CA ASP A 8 5.708 -11.850 -14.197 1.00 0.00 C ATOM 68 C ASP A 8 4.418 -11.176 -14.655 1.00 0.00 C ATOM 69 O ASP A 8 4.323 -10.700 -15.786 1.00 0.00 O ATOM 70 CB ASP A 8 6.453 -10.940 -13.219 1.00 0.00 C ATOM 71 CG ASP A 8 7.619 -11.641 -12.551 1.00 0.00 C ATOM 72 OD1 ASP A 8 7.382 -12.407 -11.593 1.00 0.00 O ATOM 73 OD2 ASP A 8 8.770 -11.423 -12.984 1.00 0.00 O ATOM 0 H ASP A 8 7.509 -11.811 -15.268 1.00 0.00 H new ATOM 0 HA ASP A 8 5.451 -12.781 -13.692 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.817 -10.061 -13.751 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.760 -10.586 -12.456 1.00 0.00 H new ATOM 78 N SER A 9 3.427 -11.142 -13.770 1.00 0.00 N ATOM 79 CA SER A 9 2.141 -10.532 -14.085 1.00 0.00 C ATOM 80 C SER A 9 1.695 -9.595 -12.966 1.00 0.00 C ATOM 81 O SER A 9 1.932 -9.862 -11.787 1.00 0.00 O ATOM 82 CB SER A 9 1.082 -11.612 -14.313 1.00 0.00 C ATOM 83 OG SER A 9 -0.160 -11.039 -14.682 1.00 0.00 O ATOM 0 H SER A 9 3.490 -11.530 -12.829 1.00 0.00 H new ATOM 0 HA SER A 9 2.258 -9.949 -14.999 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.417 -12.295 -15.094 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.958 -12.202 -13.405 1.00 0.00 H new ATOM 0 HG SER A 9 -0.819 -11.750 -14.824 1.00 0.00 H new ATOM 89 N ILE A 10 1.049 -8.497 -13.344 1.00 0.00 N ATOM 90 CA ILE A 10 0.570 -7.521 -12.374 1.00 0.00 C ATOM 91 C ILE A 10 -0.869 -7.817 -11.962 1.00 0.00 C ATOM 92 O ILE A 10 -1.751 -7.960 -12.808 1.00 0.00 O ATOM 93 CB ILE A 10 0.648 -6.088 -12.931 1.00 0.00 C ATOM 94 CG1 ILE A 10 2.097 -5.725 -13.264 1.00 0.00 C ATOM 95 CG2 ILE A 10 0.065 -5.099 -11.933 1.00 0.00 C ATOM 96 CD1 ILE A 10 2.521 -6.146 -14.653 1.00 0.00 C ATOM 0 H ILE A 10 0.845 -8.261 -14.315 1.00 0.00 H new ATOM 0 HA ILE A 10 1.219 -7.598 -11.502 1.00 0.00 H new ATOM 0 HB ILE A 10 0.061 -6.038 -13.848 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.225 -4.647 -13.165 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.757 -6.193 -12.534 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.127 -4.090 -12.341 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.978 -5.349 -11.741 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.628 -5.148 -11.001 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.559 -5.857 -14.820 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.425 -7.227 -14.750 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.885 -5.658 -15.391 1.00 0.00 H new ATOM 108 N VAL A 11 -1.098 -7.905 -10.656 1.00 0.00 N ATOM 109 CA VAL A 11 -2.430 -8.180 -10.131 1.00 0.00 C ATOM 110 C VAL A 11 -2.846 -7.129 -9.107 1.00 0.00 C ATOM 111 O VAL A 11 -2.025 -6.655 -8.322 1.00 0.00 O ATOM 112 CB VAL A 11 -2.499 -9.573 -9.477 1.00 0.00 C ATOM 113 CG1 VAL A 11 -3.919 -9.883 -9.027 1.00 0.00 C ATOM 114 CG2 VAL A 11 -1.991 -10.638 -10.437 1.00 0.00 C ATOM 0 H VAL A 11 -0.379 -7.790 -9.942 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.116 -8.149 -10.978 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.856 -9.573 -8.597 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.948 -10.871 -8.568 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.242 -9.136 -8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.586 -9.864 -9.889 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.047 -11.616 -9.958 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.605 -10.639 -11.337 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.956 -10.423 -10.704 1.00 0.00 H new ATOM 124 N SER A 12 -4.125 -6.770 -9.122 1.00 0.00 N ATOM 125 CA SER A 12 -4.650 -5.772 -8.197 1.00 0.00 C ATOM 126 C SER A 12 -5.468 -6.433 -7.091 1.00 0.00 C ATOM 127 O SER A 12 -6.131 -7.445 -7.315 1.00 0.00 O ATOM 128 CB SER A 12 -5.512 -4.755 -8.946 1.00 0.00 C ATOM 129 OG SER A 12 -6.196 -3.903 -8.044 1.00 0.00 O ATOM 0 H SER A 12 -4.817 -7.155 -9.764 1.00 0.00 H new ATOM 0 HA SER A 12 -3.805 -5.256 -7.741 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.884 -4.159 -9.608 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.233 -5.278 -9.575 1.00 0.00 H new ATOM 0 HG SER A 12 -5.578 -3.604 -7.344 1.00 0.00 H new ATOM 135 N ALA A 13 -5.415 -5.852 -5.897 1.00 0.00 N ATOM 136 CA ALA A 13 -6.152 -6.382 -4.757 1.00 0.00 C ATOM 137 C ALA A 13 -7.207 -5.392 -4.276 1.00 0.00 C ATOM 138 O ALA A 13 -6.973 -4.184 -4.255 1.00 0.00 O ATOM 139 CB ALA A 13 -5.196 -6.728 -3.625 1.00 0.00 C ATOM 0 H ALA A 13 -4.869 -5.014 -5.694 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.663 -7.290 -5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.760 -7.123 -2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.483 -7.478 -3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.659 -5.831 -3.316 1.00 0.00 H new ATOM 145 N GLU A 14 -8.369 -5.912 -3.893 1.00 0.00 N ATOM 146 CA GLU A 14 -9.460 -5.071 -3.414 1.00 0.00 C ATOM 147 C GLU A 14 -9.409 -4.925 -1.896 1.00 0.00 C ATOM 148 O GLU A 14 -9.328 -5.914 -1.169 1.00 0.00 O ATOM 149 CB GLU A 14 -10.809 -5.659 -3.835 1.00 0.00 C ATOM 150 CG GLU A 14 -11.989 -4.750 -3.538 1.00 0.00 C ATOM 151 CD GLU A 14 -13.293 -5.284 -4.098 1.00 0.00 C ATOM 152 OE1 GLU A 14 -13.879 -6.192 -3.472 1.00 0.00 O ATOM 153 OE2 GLU A 14 -13.728 -4.794 -5.161 1.00 0.00 O ATOM 0 H GLU A 14 -8.579 -6.910 -3.905 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.346 -4.083 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.785 -5.872 -4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.956 -6.610 -3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.085 -4.626 -2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.796 -3.762 -3.956 1.00 0.00 H new ATOM 160 N ALA A 15 -9.456 -3.683 -1.426 1.00 0.00 N ATOM 161 CA ALA A 15 -9.417 -3.405 0.005 1.00 0.00 C ATOM 162 C ALA A 15 -10.566 -4.097 0.730 1.00 0.00 C ATOM 163 O ALA A 15 -11.733 -3.914 0.381 1.00 0.00 O ATOM 164 CB ALA A 15 -9.460 -1.905 0.253 1.00 0.00 C ATOM 0 H ALA A 15 -9.521 -2.853 -2.015 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.482 -3.800 0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.430 -1.713 1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.602 -1.433 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.379 -1.493 -0.164 1.00 0.00 H new ATOM 170 N VAL A 16 -10.229 -4.893 1.740 1.00 0.00 N ATOM 171 CA VAL A 16 -11.234 -5.611 2.515 1.00 0.00 C ATOM 172 C VAL A 16 -11.492 -4.925 3.851 1.00 0.00 C ATOM 173 O VAL A 16 -12.615 -4.928 4.355 1.00 0.00 O ATOM 174 CB VAL A 16 -10.807 -7.068 2.773 1.00 0.00 C ATOM 175 CG1 VAL A 16 -12.001 -7.907 3.203 1.00 0.00 C ATOM 176 CG2 VAL A 16 -10.149 -7.658 1.534 1.00 0.00 C ATOM 0 H VAL A 16 -9.268 -5.057 2.040 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.151 -5.607 1.925 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.077 -7.076 3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.679 -8.933 3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.424 -7.495 4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.756 -7.894 2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.854 -8.688 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.854 -7.638 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.267 -7.071 1.276 1.00 0.00 H new ATOM 186 N TRP A 17 -10.446 -4.337 4.420 1.00 0.00 N ATOM 187 CA TRP A 17 -10.560 -3.645 5.699 1.00 0.00 C ATOM 188 C TRP A 17 -9.968 -2.242 5.613 1.00 0.00 C ATOM 189 O TRP A 17 -8.970 -2.020 4.928 1.00 0.00 O ATOM 190 CB TRP A 17 -9.856 -4.442 6.798 1.00 0.00 C ATOM 191 CG TRP A 17 -10.609 -5.669 7.216 1.00 0.00 C ATOM 192 CD1 TRP A 17 -10.488 -6.924 6.692 1.00 0.00 C ATOM 193 CD2 TRP A 17 -11.600 -5.756 8.246 1.00 0.00 C ATOM 194 NE1 TRP A 17 -11.345 -7.786 7.333 1.00 0.00 N ATOM 195 CE2 TRP A 17 -12.037 -7.094 8.291 1.00 0.00 C ATOM 196 CE3 TRP A 17 -12.159 -4.834 9.135 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -13.007 -7.530 9.190 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -13.122 -5.269 10.026 1.00 0.00 C ATOM 199 CH2 TRP A 17 -13.538 -6.607 10.049 1.00 0.00 C ATOM 0 H TRP A 17 -9.509 -4.325 4.016 1.00 0.00 H new ATOM 0 HA TRP A 17 -11.619 -3.559 5.944 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -8.866 -4.734 6.448 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -9.711 -3.800 7.667 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -9.817 -7.199 5.891 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -11.449 -8.780 7.128 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -11.844 -3.801 9.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -13.329 -8.561 9.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -13.562 -4.565 10.717 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -14.292 -6.915 10.758 1.00 0.00 H new ATOM 210 N ASP A 18 -10.589 -1.299 6.313 1.00 0.00 N ATOM 211 CA ASP A 18 -10.123 0.083 6.317 1.00 0.00 C ATOM 212 C ASP A 18 -8.779 0.200 7.028 1.00 0.00 C ATOM 213 O ASP A 18 -8.642 -0.189 8.189 1.00 0.00 O ATOM 214 CB ASP A 18 -11.153 0.989 6.992 1.00 0.00 C ATOM 215 CG ASP A 18 -12.535 0.848 6.386 1.00 0.00 C ATOM 216 OD1 ASP A 18 -12.777 1.445 5.316 1.00 0.00 O ATOM 217 OD2 ASP A 18 -13.375 0.141 6.981 1.00 0.00 O ATOM 0 H ASP A 18 -11.417 -1.466 6.885 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.995 0.401 5.282 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.200 0.752 8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.828 2.026 6.911 1.00 0.00 H new ATOM 222 N HIS A 19 -7.787 0.739 6.325 1.00 0.00 N ATOM 223 CA HIS A 19 -6.453 0.907 6.889 1.00 0.00 C ATOM 224 C HIS A 19 -6.150 2.382 7.136 1.00 0.00 C ATOM 225 O HIS A 19 -5.620 3.072 6.265 1.00 0.00 O ATOM 226 CB HIS A 19 -5.402 0.308 5.955 1.00 0.00 C ATOM 227 CG HIS A 19 -3.995 0.521 6.421 1.00 0.00 C ATOM 228 ND1 HIS A 19 -3.003 1.032 5.611 1.00 0.00 N ATOM 229 CD2 HIS A 19 -3.416 0.292 7.623 1.00 0.00 C ATOM 230 CE1 HIS A 19 -1.874 1.106 6.293 1.00 0.00 C ATOM 231 NE2 HIS A 19 -2.098 0.663 7.517 1.00 0.00 N ATOM 0 H HIS A 19 -7.883 1.067 5.364 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.420 0.382 7.844 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.585 -0.762 5.855 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.518 0.745 4.963 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -3.122 1.310 4.637 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.900 -0.108 8.502 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.929 1.467 5.914 1.00 0.00 H new ATOM 240 N VAL A 20 -6.490 2.859 8.329 1.00 0.00 N ATOM 241 CA VAL A 20 -6.254 4.252 8.691 1.00 0.00 C ATOM 242 C VAL A 20 -4.904 4.419 9.380 1.00 0.00 C ATOM 243 O VAL A 20 -4.484 3.568 10.165 1.00 0.00 O ATOM 244 CB VAL A 20 -7.361 4.786 9.619 1.00 0.00 C ATOM 245 CG1 VAL A 20 -8.697 4.821 8.892 1.00 0.00 C ATOM 246 CG2 VAL A 20 -7.453 3.940 10.880 1.00 0.00 C ATOM 0 H VAL A 20 -6.930 2.302 9.061 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.259 4.826 7.764 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.106 5.805 9.910 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.467 5.201 9.564 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.621 5.473 8.022 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.962 3.814 8.569 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.240 4.332 11.524 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.684 2.909 10.611 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.501 3.972 11.410 1.00 0.00 H new ATOM 256 N THR A 21 -4.227 5.524 9.081 1.00 0.00 N ATOM 257 CA THR A 21 -2.924 5.804 9.671 1.00 0.00 C ATOM 258 C THR A 21 -2.420 7.183 9.262 1.00 0.00 C ATOM 259 O THR A 21 -2.759 7.686 8.191 1.00 0.00 O ATOM 260 CB THR A 21 -1.882 4.747 9.258 1.00 0.00 C ATOM 261 OG1 THR A 21 -0.571 5.175 9.643 1.00 0.00 O ATOM 262 CG2 THR A 21 -1.922 4.505 7.757 1.00 0.00 C ATOM 0 H THR A 21 -4.560 6.239 8.434 1.00 0.00 H new ATOM 0 HA THR A 21 -3.054 5.773 10.753 1.00 0.00 H new ATOM 0 HB THR A 21 -2.123 3.813 9.767 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.085 4.497 9.379 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.178 3.755 7.489 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.913 4.151 7.472 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.704 5.435 7.233 1.00 0.00 H new ATOM 270 N MET A 22 -1.609 7.791 10.122 1.00 0.00 N ATOM 271 CA MET A 22 -1.057 9.113 9.848 1.00 0.00 C ATOM 272 C MET A 22 0.458 9.117 10.023 1.00 0.00 C ATOM 273 O MET A 22 1.014 9.995 10.681 1.00 0.00 O ATOM 274 CB MET A 22 -1.692 10.155 10.771 1.00 0.00 C ATOM 275 CG MET A 22 -1.514 11.585 10.286 1.00 0.00 C ATOM 276 SD MET A 22 -1.775 12.799 11.594 1.00 0.00 S ATOM 277 CE MET A 22 -2.384 14.191 10.646 1.00 0.00 C ATOM 0 H MET A 22 -1.320 7.390 11.014 1.00 0.00 H new ATOM 0 HA MET A 22 -1.285 9.367 8.813 1.00 0.00 H new ATOM 0 HB2 MET A 22 -2.757 9.942 10.867 1.00 0.00 H new ATOM 0 HB3 MET A 22 -1.257 10.061 11.766 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.510 11.704 9.880 1.00 0.00 H new ATOM 0 HG3 MET A 22 -2.212 11.778 9.472 1.00 0.00 H new ATOM 0 HE1 MET A 22 -2.592 15.025 11.317 1.00 0.00 H new ATOM 0 HE2 MET A 22 -1.632 14.491 9.916 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.299 13.905 10.127 1.00 0.00 H new ATOM 287 N ALA A 23 1.120 8.128 9.431 1.00 0.00 N ATOM 288 CA ALA A 23 2.571 8.020 9.520 1.00 0.00 C ATOM 289 C ALA A 23 3.232 8.389 8.197 1.00 0.00 C ATOM 290 O ALA A 23 2.553 8.683 7.214 1.00 0.00 O ATOM 291 CB ALA A 23 2.970 6.612 9.937 1.00 0.00 C ATOM 0 H ALA A 23 0.675 7.391 8.885 1.00 0.00 H new ATOM 0 HA ALA A 23 2.917 8.724 10.277 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.056 6.545 10.000 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.536 6.384 10.910 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.604 5.897 9.200 1.00 0.00 H new ATOM 297 N ASN A 24 4.561 8.373 8.179 1.00 0.00 N ATOM 298 CA ASN A 24 5.314 8.707 6.976 1.00 0.00 C ATOM 299 C ASN A 24 5.317 7.540 5.994 1.00 0.00 C ATOM 300 O ASN A 24 5.272 6.377 6.396 1.00 0.00 O ATOM 301 CB ASN A 24 6.751 9.088 7.338 1.00 0.00 C ATOM 302 CG ASN A 24 7.611 7.877 7.642 1.00 0.00 C ATOM 303 OD1 ASN A 24 8.240 7.309 6.749 1.00 0.00 O ATOM 304 ND2 ASN A 24 7.642 7.476 8.908 1.00 0.00 N ATOM 0 H ASN A 24 5.139 8.132 8.984 1.00 0.00 H new ATOM 0 HA ASN A 24 4.829 9.558 6.499 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.194 9.647 6.514 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.741 9.750 8.204 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.203 6.667 9.173 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.104 7.977 9.615 1.00 0.00 H new ATOM 311 N ARG A 25 5.372 7.858 4.705 1.00 0.00 N ATOM 312 CA ARG A 25 5.381 6.836 3.665 1.00 0.00 C ATOM 313 C ARG A 25 4.382 5.727 3.985 1.00 0.00 C ATOM 314 O ARG A 25 4.719 4.545 3.940 1.00 0.00 O ATOM 315 CB ARG A 25 6.784 6.246 3.513 1.00 0.00 C ATOM 316 CG ARG A 25 7.871 7.294 3.344 1.00 0.00 C ATOM 317 CD ARG A 25 8.061 7.670 1.883 1.00 0.00 C ATOM 318 NE ARG A 25 8.521 6.538 1.083 1.00 0.00 N ATOM 319 CZ ARG A 25 8.674 6.584 -0.236 1.00 0.00 C ATOM 320 NH1 ARG A 25 8.405 7.701 -0.899 1.00 0.00 N ATOM 321 NH2 ARG A 25 9.097 5.513 -0.894 1.00 0.00 N ATOM 0 H ARG A 25 5.411 8.815 4.356 1.00 0.00 H new ATOM 0 HA ARG A 25 5.088 7.305 2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.010 5.638 4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.797 5.579 2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.613 8.183 3.919 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.810 6.915 3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.119 8.041 1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.782 8.484 1.809 1.00 0.00 H new ATOM 0 HE ARG A 25 8.737 5.664 1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.080 8.527 -0.396 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.523 7.734 -1.912 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.305 4.653 -0.387 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.214 5.550 -1.907 1.00 0.00 H new ATOM 335 N GLU A 26 3.153 6.119 4.307 1.00 0.00 N ATOM 336 CA GLU A 26 2.107 5.158 4.634 1.00 0.00 C ATOM 337 C GLU A 26 1.038 5.125 3.546 1.00 0.00 C ATOM 338 O GLU A 26 0.513 6.164 3.145 1.00 0.00 O ATOM 339 CB GLU A 26 1.469 5.504 5.981 1.00 0.00 C ATOM 340 CG GLU A 26 0.724 6.828 5.979 1.00 0.00 C ATOM 341 CD GLU A 26 -0.703 6.693 5.486 1.00 0.00 C ATOM 342 OE1 GLU A 26 -1.065 5.597 5.010 1.00 0.00 O ATOM 343 OE2 GLU A 26 -1.459 7.683 5.576 1.00 0.00 O ATOM 0 H GLU A 26 2.858 7.095 4.348 1.00 0.00 H new ATOM 0 HA GLU A 26 2.564 4.171 4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.779 4.709 6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.246 5.535 6.744 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.718 7.239 6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.257 7.540 5.348 1.00 0.00 H new ATOM 350 N LEU A 27 0.721 3.925 3.073 1.00 0.00 N ATOM 351 CA LEU A 27 -0.285 3.755 2.030 1.00 0.00 C ATOM 352 C LEU A 27 -1.682 3.652 2.634 1.00 0.00 C ATOM 353 O LEU A 27 -2.116 2.574 3.040 1.00 0.00 O ATOM 354 CB LEU A 27 0.017 2.507 1.200 1.00 0.00 C ATOM 355 CG LEU A 27 -0.430 2.548 -0.262 1.00 0.00 C ATOM 356 CD1 LEU A 27 0.462 1.662 -1.118 1.00 0.00 C ATOM 357 CD2 LEU A 27 -1.885 2.121 -0.386 1.00 0.00 C ATOM 0 H LEU A 27 1.146 3.055 3.395 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.252 4.631 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.092 2.330 1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.458 1.652 1.680 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.341 3.573 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.129 1.704 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.492 2.012 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.405 0.634 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.187 2.156 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.999 1.105 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.513 2.796 0.195 1.00 0.00 H new ATOM 369 N ALA A 28 -2.383 4.780 2.687 1.00 0.00 N ATOM 370 CA ALA A 28 -3.733 4.816 3.237 1.00 0.00 C ATOM 371 C ALA A 28 -4.751 4.303 2.225 1.00 0.00 C ATOM 372 O ALA A 28 -4.578 4.467 1.017 1.00 0.00 O ATOM 373 CB ALA A 28 -4.087 6.230 3.675 1.00 0.00 C ATOM 0 H ALA A 28 -2.038 5.681 2.356 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.762 4.160 4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.097 6.242 4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.383 6.561 4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.034 6.901 2.817 1.00 0.00 H new ATOM 379 N PHE A 29 -5.814 3.681 2.725 1.00 0.00 N ATOM 380 CA PHE A 29 -6.860 3.142 1.863 1.00 0.00 C ATOM 381 C PHE A 29 -8.018 2.594 2.692 1.00 0.00 C ATOM 382 O PHE A 29 -7.811 1.985 3.742 1.00 0.00 O ATOM 383 CB PHE A 29 -6.294 2.041 0.965 1.00 0.00 C ATOM 384 CG PHE A 29 -5.514 0.998 1.715 1.00 0.00 C ATOM 385 CD1 PHE A 29 -6.154 -0.100 2.267 1.00 0.00 C ATOM 386 CD2 PHE A 29 -4.142 1.115 1.866 1.00 0.00 C ATOM 387 CE1 PHE A 29 -5.439 -1.060 2.958 1.00 0.00 C ATOM 388 CE2 PHE A 29 -3.422 0.158 2.555 1.00 0.00 C ATOM 389 CZ PHE A 29 -4.071 -0.932 3.101 1.00 0.00 C ATOM 0 H PHE A 29 -5.974 3.538 3.722 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.235 3.953 1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.115 1.558 0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.649 2.493 0.211 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.223 -0.207 2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.629 1.965 1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.950 -1.910 3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.353 0.262 2.666 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.510 -1.682 3.638 1.00 0.00 H new ATOM 399 N LYS A 30 -9.237 2.814 2.213 1.00 0.00 N ATOM 400 CA LYS A 30 -10.429 2.342 2.907 1.00 0.00 C ATOM 401 C LYS A 30 -11.097 1.210 2.133 1.00 0.00 C ATOM 402 O LYS A 30 -10.799 0.988 0.960 1.00 0.00 O ATOM 403 CB LYS A 30 -11.419 3.493 3.103 1.00 0.00 C ATOM 404 CG LYS A 30 -10.839 4.670 3.868 1.00 0.00 C ATOM 405 CD LYS A 30 -11.686 5.920 3.693 1.00 0.00 C ATOM 406 CE LYS A 30 -11.275 7.013 4.668 1.00 0.00 C ATOM 407 NZ LYS A 30 -12.135 8.221 4.542 1.00 0.00 N ATOM 0 H LYS A 30 -9.426 3.317 1.346 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.125 1.962 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.761 3.838 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.295 3.121 3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.772 4.420 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.824 4.866 3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.588 6.287 2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.737 5.673 3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.333 6.631 5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.235 7.287 4.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.823 8.942 5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.061 8.601 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.124 7.965 4.738 1.00 0.00 H new ATOM 421 N ALA A 31 -12.002 0.498 2.798 1.00 0.00 N ATOM 422 CA ALA A 31 -12.714 -0.608 2.171 1.00 0.00 C ATOM 423 C ALA A 31 -13.342 -0.179 0.850 1.00 0.00 C ATOM 424 O ALA A 31 -14.273 0.624 0.826 1.00 0.00 O ATOM 425 CB ALA A 31 -13.779 -1.151 3.112 1.00 0.00 C ATOM 0 H ALA A 31 -12.259 0.668 3.770 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.993 -1.398 1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.303 -1.977 2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.308 -1.505 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.490 -0.360 3.352 1.00 0.00 H new ATOM 431 N GLY A 32 -12.825 -0.719 -0.250 1.00 0.00 N ATOM 432 CA GLY A 32 -13.347 -0.379 -1.560 1.00 0.00 C ATOM 433 C GLY A 32 -12.260 0.057 -2.523 1.00 0.00 C ATOM 434 O GLY A 32 -12.247 -0.355 -3.683 1.00 0.00 O ATOM 0 H GLY A 32 -12.054 -1.386 -0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.870 -1.241 -1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.081 0.421 -1.459 1.00 0.00 H new ATOM 438 N ASP A 33 -11.346 0.893 -2.041 1.00 0.00 N ATOM 439 CA ASP A 33 -10.250 1.385 -2.868 1.00 0.00 C ATOM 440 C ASP A 33 -9.604 0.246 -3.649 1.00 0.00 C ATOM 441 O ASP A 33 -9.736 -0.923 -3.286 1.00 0.00 O ATOM 442 CB ASP A 33 -9.202 2.082 -1.999 1.00 0.00 C ATOM 443 CG ASP A 33 -9.731 3.351 -1.359 1.00 0.00 C ATOM 444 OD1 ASP A 33 -10.431 3.249 -0.329 1.00 0.00 O ATOM 445 OD2 ASP A 33 -9.445 4.445 -1.887 1.00 0.00 O ATOM 0 H ASP A 33 -11.342 1.244 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.658 2.103 -3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.867 1.398 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.330 2.322 -2.608 1.00 0.00 H new ATOM 450 N VAL A 34 -8.907 0.594 -4.726 1.00 0.00 N ATOM 451 CA VAL A 34 -8.240 -0.399 -5.560 1.00 0.00 C ATOM 452 C VAL A 34 -6.727 -0.214 -5.532 1.00 0.00 C ATOM 453 O VAL A 34 -6.200 0.753 -6.083 1.00 0.00 O ATOM 454 CB VAL A 34 -8.729 -0.326 -7.019 1.00 0.00 C ATOM 455 CG1 VAL A 34 -7.997 -1.346 -7.878 1.00 0.00 C ATOM 456 CG2 VAL A 34 -10.233 -0.540 -7.087 1.00 0.00 C ATOM 0 H VAL A 34 -8.789 1.557 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.490 -1.377 -5.149 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.509 0.667 -7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.355 -1.280 -8.905 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.927 -1.142 -7.853 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.184 -2.348 -7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.562 -0.485 -8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.480 -1.520 -6.679 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.737 0.232 -6.506 1.00 0.00 H new ATOM 466 N ILE A 35 -6.034 -1.147 -4.888 1.00 0.00 N ATOM 467 CA ILE A 35 -4.581 -1.087 -4.790 1.00 0.00 C ATOM 468 C ILE A 35 -3.922 -1.935 -5.872 1.00 0.00 C ATOM 469 O ILE A 35 -4.168 -3.138 -5.970 1.00 0.00 O ATOM 470 CB ILE A 35 -4.090 -1.562 -3.410 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.639 -0.654 -2.308 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.569 -1.592 -3.370 1.00 0.00 C ATOM 473 CD1 ILE A 35 -5.976 -1.104 -1.764 1.00 0.00 C ATOM 0 H ILE A 35 -6.455 -1.953 -4.426 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.298 -0.043 -4.927 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.459 -2.573 -3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.919 -0.612 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.737 0.359 -2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.237 -1.930 -2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.198 -2.276 -4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.180 -0.592 -3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.304 -0.414 -0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.710 -1.119 -2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.879 -2.105 -1.343 1.00 0.00 H new ATOM 485 N LYS A 36 -3.081 -1.302 -6.682 1.00 0.00 N ATOM 486 CA LYS A 36 -2.382 -1.998 -7.756 1.00 0.00 C ATOM 487 C LYS A 36 -1.002 -2.460 -7.298 1.00 0.00 C ATOM 488 O LYS A 36 -0.118 -1.644 -7.038 1.00 0.00 O ATOM 489 CB LYS A 36 -2.246 -1.087 -8.978 1.00 0.00 C ATOM 490 CG LYS A 36 -1.560 -1.752 -10.159 1.00 0.00 C ATOM 491 CD LYS A 36 -2.514 -2.653 -10.924 1.00 0.00 C ATOM 492 CE LYS A 36 -3.458 -1.848 -11.803 1.00 0.00 C ATOM 493 NZ LYS A 36 -4.608 -2.666 -12.279 1.00 0.00 N ATOM 0 H LYS A 36 -2.867 -0.307 -6.615 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.968 -2.876 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.238 -0.754 -9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.684 -0.197 -8.696 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.164 -0.988 -10.828 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.711 -2.337 -9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.944 -3.347 -11.541 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.092 -3.252 -10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.830 -0.989 -11.244 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.911 -1.457 -12.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.227 -2.080 -12.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.255 -3.472 -12.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.146 -3.018 -11.461 1.00 0.00 H new ATOM 507 N VAL A 37 -0.824 -3.774 -7.202 1.00 0.00 N ATOM 508 CA VAL A 37 0.449 -4.344 -6.778 1.00 0.00 C ATOM 509 C VAL A 37 1.504 -4.204 -7.869 1.00 0.00 C ATOM 510 O VAL A 37 1.243 -4.483 -9.040 1.00 0.00 O ATOM 511 CB VAL A 37 0.302 -5.832 -6.408 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.611 -6.378 -5.860 1.00 0.00 C ATOM 513 CG2 VAL A 37 -0.827 -6.023 -5.406 1.00 0.00 C ATOM 0 H VAL A 37 -1.546 -4.464 -7.412 1.00 0.00 H new ATOM 0 HA VAL A 37 0.767 -3.788 -5.896 1.00 0.00 H new ATOM 0 HB VAL A 37 0.054 -6.390 -7.311 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.488 -7.430 -5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.391 -6.277 -6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.894 -5.819 -4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.917 -7.080 -5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.611 -5.453 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.763 -5.673 -5.841 1.00 0.00 H new ATOM 523 N LEU A 38 2.698 -3.771 -7.478 1.00 0.00 N ATOM 524 CA LEU A 38 3.795 -3.595 -8.422 1.00 0.00 C ATOM 525 C LEU A 38 4.910 -4.601 -8.157 1.00 0.00 C ATOM 526 O LEU A 38 5.233 -5.425 -9.013 1.00 0.00 O ATOM 527 CB LEU A 38 4.346 -2.171 -8.334 1.00 0.00 C ATOM 528 CG LEU A 38 3.399 -1.055 -8.776 1.00 0.00 C ATOM 529 CD1 LEU A 38 4.083 0.299 -8.673 1.00 0.00 C ATOM 530 CD2 LEU A 38 2.911 -1.302 -10.196 1.00 0.00 C ATOM 0 H LEU A 38 2.930 -3.535 -6.513 1.00 0.00 H new ATOM 0 HA LEU A 38 3.408 -3.767 -9.426 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.642 -1.981 -7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.250 -2.115 -8.941 1.00 0.00 H new ATOM 0 HG LEU A 38 2.535 -1.053 -8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.393 1.080 -8.992 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.382 0.478 -7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.965 0.311 -9.313 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.238 -0.498 -10.494 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.764 -1.332 -10.874 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.381 -2.253 -10.238 1.00 0.00 H new ATOM 542 N ASP A 39 5.491 -4.531 -6.964 1.00 0.00 N ATOM 543 CA ASP A 39 6.568 -5.438 -6.584 1.00 0.00 C ATOM 544 C ASP A 39 6.168 -6.280 -5.376 1.00 0.00 C ATOM 545 O ASP A 39 5.802 -5.746 -4.329 1.00 0.00 O ATOM 546 CB ASP A 39 7.842 -4.651 -6.274 1.00 0.00 C ATOM 547 CG ASP A 39 8.666 -4.371 -7.515 1.00 0.00 C ATOM 548 OD1 ASP A 39 8.270 -3.488 -8.304 1.00 0.00 O ATOM 549 OD2 ASP A 39 9.708 -5.035 -7.696 1.00 0.00 O ATOM 0 H ASP A 39 5.234 -3.856 -6.244 1.00 0.00 H new ATOM 0 HA ASP A 39 6.760 -6.107 -7.423 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.576 -3.707 -5.798 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.446 -5.210 -5.559 1.00 0.00 H new ATOM 554 N ALA A 40 6.239 -7.598 -5.529 1.00 0.00 N ATOM 555 CA ALA A 40 5.886 -8.513 -4.451 1.00 0.00 C ATOM 556 C ALA A 40 7.071 -9.392 -4.067 1.00 0.00 C ATOM 557 O ALA A 40 6.946 -10.614 -3.976 1.00 0.00 O ATOM 558 CB ALA A 40 4.698 -9.372 -4.857 1.00 0.00 C ATOM 0 H ALA A 40 6.538 -8.056 -6.390 1.00 0.00 H new ATOM 0 HA ALA A 40 5.610 -7.920 -3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.445 -10.051 -4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.843 -8.731 -5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.954 -9.950 -5.745 1.00 0.00 H new ATOM 564 N SER A 41 8.220 -8.764 -3.843 1.00 0.00 N ATOM 565 CA SER A 41 9.429 -9.490 -3.473 1.00 0.00 C ATOM 566 C SER A 41 9.268 -10.155 -2.109 1.00 0.00 C ATOM 567 O SER A 41 10.111 -10.946 -1.688 1.00 0.00 O ATOM 568 CB SER A 41 10.632 -8.545 -3.452 1.00 0.00 C ATOM 569 OG SER A 41 10.303 -7.315 -2.829 1.00 0.00 O ATOM 0 H SER A 41 8.339 -7.753 -3.911 1.00 0.00 H new ATOM 0 HA SER A 41 9.598 -10.266 -4.219 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.459 -9.016 -2.921 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.972 -8.361 -4.471 1.00 0.00 H new ATOM 0 HG SER A 41 11.089 -6.729 -2.827 1.00 0.00 H new ATOM 575 N ASN A 42 8.177 -9.828 -1.424 1.00 0.00 N ATOM 576 CA ASN A 42 7.903 -10.392 -0.107 1.00 0.00 C ATOM 577 C ASN A 42 6.723 -11.356 -0.163 1.00 0.00 C ATOM 578 O ASN A 42 6.139 -11.581 -1.224 1.00 0.00 O ATOM 579 CB ASN A 42 7.617 -9.276 0.900 1.00 0.00 C ATOM 580 CG ASN A 42 8.030 -9.649 2.310 1.00 0.00 C ATOM 581 OD1 ASN A 42 7.254 -10.241 3.060 1.00 0.00 O ATOM 582 ND2 ASN A 42 9.258 -9.304 2.678 1.00 0.00 N ATOM 0 H ASN A 42 7.468 -9.175 -1.759 1.00 0.00 H new ATOM 0 HA ASN A 42 8.786 -10.945 0.215 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.146 -8.372 0.597 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.552 -9.042 0.886 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.592 -9.529 3.615 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.868 -8.814 2.023 1.00 0.00 H new ATOM 589 N LYS A 43 6.375 -11.925 0.987 1.00 0.00 N ATOM 590 CA LYS A 43 5.263 -12.864 1.071 1.00 0.00 C ATOM 591 C LYS A 43 4.010 -12.178 1.607 1.00 0.00 C ATOM 592 O LYS A 43 2.893 -12.500 1.202 1.00 0.00 O ATOM 593 CB LYS A 43 5.634 -14.046 1.970 1.00 0.00 C ATOM 594 CG LYS A 43 6.262 -13.632 3.289 1.00 0.00 C ATOM 595 CD LYS A 43 6.354 -14.803 4.254 1.00 0.00 C ATOM 596 CE LYS A 43 7.653 -15.573 4.074 1.00 0.00 C ATOM 597 NZ LYS A 43 8.772 -14.960 4.842 1.00 0.00 N ATOM 0 H LYS A 43 6.848 -11.752 1.874 1.00 0.00 H new ATOM 0 HA LYS A 43 5.053 -13.231 0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.738 -14.633 2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.327 -14.695 1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.259 -13.229 3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.672 -12.834 3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.285 -14.438 5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.508 -15.472 4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.512 -16.604 4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.913 -15.604 3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.640 -15.514 4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.924 -13.984 4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.535 -14.953 5.855 1.00 0.00 H new ATOM 611 N ASP A 44 4.204 -11.229 2.517 1.00 0.00 N ATOM 612 CA ASP A 44 3.090 -10.495 3.105 1.00 0.00 C ATOM 613 C ASP A 44 3.342 -8.992 3.054 1.00 0.00 C ATOM 614 O ASP A 44 2.748 -8.227 3.815 1.00 0.00 O ATOM 615 CB ASP A 44 2.867 -10.939 4.552 1.00 0.00 C ATOM 616 CG ASP A 44 4.150 -10.947 5.359 1.00 0.00 C ATOM 617 OD1 ASP A 44 4.962 -10.013 5.193 1.00 0.00 O ATOM 618 OD2 ASP A 44 4.344 -11.889 6.157 1.00 0.00 O ATOM 0 H ASP A 44 5.122 -10.950 2.863 1.00 0.00 H new ATOM 0 HA ASP A 44 2.195 -10.714 2.523 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.147 -10.273 5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.430 -11.938 4.559 1.00 0.00 H new ATOM 623 N TRP A 45 4.227 -8.576 2.155 1.00 0.00 N ATOM 624 CA TRP A 45 4.558 -7.163 2.006 1.00 0.00 C ATOM 625 C TRP A 45 4.817 -6.816 0.545 1.00 0.00 C ATOM 626 O TRP A 45 5.858 -7.167 -0.011 1.00 0.00 O ATOM 627 CB TRP A 45 5.785 -6.814 2.851 1.00 0.00 C ATOM 628 CG TRP A 45 5.459 -6.550 4.290 1.00 0.00 C ATOM 629 CD1 TRP A 45 5.912 -7.246 5.374 1.00 0.00 C ATOM 630 CD2 TRP A 45 4.608 -5.518 4.801 1.00 0.00 C ATOM 631 NE1 TRP A 45 5.395 -6.709 6.528 1.00 0.00 N ATOM 632 CE2 TRP A 45 4.592 -5.647 6.203 1.00 0.00 C ATOM 633 CE3 TRP A 45 3.860 -4.496 4.210 1.00 0.00 C ATOM 634 CZ2 TRP A 45 3.857 -4.793 7.021 1.00 0.00 C ATOM 635 CZ3 TRP A 45 3.130 -3.650 5.023 1.00 0.00 C ATOM 636 CH2 TRP A 45 3.133 -3.802 6.416 1.00 0.00 C ATOM 0 H TRP A 45 4.728 -9.196 1.519 1.00 0.00 H new ATOM 0 HA TRP A 45 3.707 -6.577 2.354 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.502 -7.633 2.793 1.00 0.00 H new ATOM 0 HB3 TRP A 45 6.270 -5.934 2.428 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.579 -8.094 5.331 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.579 -7.046 7.473 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.853 -4.370 3.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.858 -4.909 8.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.547 -2.858 4.577 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.553 -3.124 7.024 1.00 0.00 H new ATOM 647 N TRP A 46 3.866 -6.125 -0.072 1.00 0.00 N ATOM 648 CA TRP A 46 3.992 -5.731 -1.471 1.00 0.00 C ATOM 649 C TRP A 46 3.924 -4.215 -1.617 1.00 0.00 C ATOM 650 O TRP A 46 3.682 -3.499 -0.645 1.00 0.00 O ATOM 651 CB TRP A 46 2.893 -6.387 -2.309 1.00 0.00 C ATOM 652 CG TRP A 46 2.832 -7.875 -2.147 1.00 0.00 C ATOM 653 CD1 TRP A 46 3.858 -8.704 -1.793 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.685 -8.711 -2.336 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.417 -10.005 -1.750 1.00 0.00 N ATOM 656 CE2 TRP A 46 2.088 -10.036 -2.078 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.356 -8.469 -2.695 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.209 -11.113 -2.171 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.514 -9.539 -2.787 1.00 0.00 C ATOM 660 CH2 TRP A 46 -0.085 -10.847 -2.525 1.00 0.00 C ATOM 0 H TRP A 46 2.999 -5.826 0.374 1.00 0.00 H new ATOM 0 HA TRP A 46 4.963 -6.069 -1.832 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.930 -5.959 -2.032 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.057 -6.149 -3.360 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.867 -8.384 -1.578 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.988 -10.816 -1.512 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.015 -7.464 -2.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.538 -12.122 -1.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.543 -9.364 -3.066 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.790 -11.661 -2.604 1.00 0.00 H new ATOM 671 N TRP A 47 4.137 -3.732 -2.836 1.00 0.00 N ATOM 672 CA TRP A 47 4.099 -2.300 -3.108 1.00 0.00 C ATOM 673 C TRP A 47 2.919 -1.948 -4.007 1.00 0.00 C ATOM 674 O TRP A 47 2.999 -2.071 -5.229 1.00 0.00 O ATOM 675 CB TRP A 47 5.407 -1.849 -3.761 1.00 0.00 C ATOM 676 CG TRP A 47 5.535 -0.360 -3.868 1.00 0.00 C ATOM 677 CD1 TRP A 47 5.461 0.389 -5.008 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.761 0.560 -2.795 1.00 0.00 C ATOM 679 NE1 TRP A 47 5.627 1.720 -4.707 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.813 1.851 -3.356 1.00 0.00 C ATOM 681 CE3 TRP A 47 5.924 0.419 -1.414 1.00 0.00 C ATOM 682 CZ2 TRP A 47 6.021 2.991 -2.584 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.130 1.551 -0.649 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.177 2.823 -1.235 1.00 0.00 C ATOM 0 H TRP A 47 4.338 -4.311 -3.651 1.00 0.00 H new ATOM 0 HA TRP A 47 3.977 -1.778 -2.159 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.246 -2.238 -3.184 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.476 -2.285 -4.758 1.00 0.00 H new ATOM 0 HD1 TRP A 47 5.296 -0.006 -6.000 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.614 2.486 -5.380 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.890 -0.557 -0.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 6.058 3.972 -3.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 6.257 1.454 0.419 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.340 3.688 -0.609 1.00 0.00 H new ATOM 695 N GLY A 48 1.824 -1.509 -3.394 1.00 0.00 N ATOM 696 CA GLY A 48 0.643 -1.146 -4.156 1.00 0.00 C ATOM 697 C GLY A 48 0.759 0.229 -4.784 1.00 0.00 C ATOM 698 O GLY A 48 1.600 1.033 -4.383 1.00 0.00 O ATOM 0 H GLY A 48 1.733 -1.398 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.477 -1.887 -4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.229 -1.171 -3.503 1.00 0.00 H new ATOM 702 N GLN A 49 -0.087 0.499 -5.774 1.00 0.00 N ATOM 703 CA GLN A 49 -0.074 1.785 -6.460 1.00 0.00 C ATOM 704 C GLN A 49 -1.480 2.368 -6.551 1.00 0.00 C ATOM 705 O GLN A 49 -2.362 1.790 -7.186 1.00 0.00 O ATOM 706 CB GLN A 49 0.519 1.633 -7.862 1.00 0.00 C ATOM 707 CG GLN A 49 0.926 2.953 -8.497 1.00 0.00 C ATOM 708 CD GLN A 49 0.985 2.879 -10.010 1.00 0.00 C ATOM 709 OE1 GLN A 49 -0.020 3.080 -10.693 1.00 0.00 O ATOM 710 NE2 GLN A 49 2.166 2.588 -10.543 1.00 0.00 N ATOM 0 H GLN A 49 -0.789 -0.156 -6.118 1.00 0.00 H new ATOM 0 HA GLN A 49 0.547 2.470 -5.882 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.391 0.980 -7.810 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.211 1.140 -8.505 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.218 3.727 -8.202 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.902 3.251 -8.113 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.973 2.429 -9.939 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.266 2.524 -11.556 1.00 0.00 H new ATOM 719 N ILE A 50 -1.682 3.516 -5.912 1.00 0.00 N ATOM 720 CA ILE A 50 -2.981 4.177 -5.921 1.00 0.00 C ATOM 721 C ILE A 50 -2.954 5.429 -6.791 1.00 0.00 C ATOM 722 O ILE A 50 -1.900 6.029 -7.000 1.00 0.00 O ATOM 723 CB ILE A 50 -3.426 4.563 -4.499 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.721 3.308 -3.674 1.00 0.00 C ATOM 725 CG2 ILE A 50 -4.648 5.467 -4.554 1.00 0.00 C ATOM 726 CD1 ILE A 50 -4.069 3.601 -2.232 1.00 0.00 C ATOM 0 H ILE A 50 -0.962 4.007 -5.382 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.695 3.465 -6.335 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.615 5.109 -4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.546 2.765 -4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.852 2.651 -3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.951 5.731 -3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.405 6.374 -5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.465 4.945 -5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.266 2.666 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.236 4.116 -1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.957 4.232 -2.193 1.00 0.00 H new ATOM 738 N ASP A 51 -4.120 5.818 -7.294 1.00 0.00 N ATOM 739 CA ASP A 51 -4.231 7.001 -8.139 1.00 0.00 C ATOM 740 C ASP A 51 -3.189 8.046 -7.753 1.00 0.00 C ATOM 741 O ASP A 51 -2.311 8.384 -8.546 1.00 0.00 O ATOM 742 CB ASP A 51 -5.635 7.600 -8.033 1.00 0.00 C ATOM 743 CG ASP A 51 -6.059 8.309 -9.304 1.00 0.00 C ATOM 744 OD1 ASP A 51 -6.596 7.636 -10.208 1.00 0.00 O ATOM 745 OD2 ASP A 51 -5.854 9.538 -9.395 1.00 0.00 O ATOM 0 H ASP A 51 -5.002 5.332 -7.131 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.050 6.698 -9.170 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.349 6.808 -7.807 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.665 8.303 -7.201 1.00 0.00 H new ATOM 750 N ASP A 52 -3.293 8.553 -6.529 1.00 0.00 N ATOM 751 CA ASP A 52 -2.360 9.559 -6.037 1.00 0.00 C ATOM 752 C ASP A 52 -1.842 9.188 -4.651 1.00 0.00 C ATOM 753 O ASP A 52 -1.433 10.054 -3.878 1.00 0.00 O ATOM 754 CB ASP A 52 -3.033 10.932 -5.993 1.00 0.00 C ATOM 755 CG ASP A 52 -3.146 11.566 -7.365 1.00 0.00 C ATOM 756 OD1 ASP A 52 -2.188 12.249 -7.783 1.00 0.00 O ATOM 757 OD2 ASP A 52 -4.192 11.380 -8.021 1.00 0.00 O ATOM 0 H ASP A 52 -4.014 8.283 -5.860 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.514 9.600 -6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.028 10.832 -5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.464 11.591 -5.337 1.00 0.00 H new ATOM 762 N GLU A 53 -1.862 7.895 -4.344 1.00 0.00 N ATOM 763 CA GLU A 53 -1.397 7.410 -3.050 1.00 0.00 C ATOM 764 C GLU A 53 -0.386 6.280 -3.224 1.00 0.00 C ATOM 765 O GLU A 53 -0.472 5.497 -4.169 1.00 0.00 O ATOM 766 CB GLU A 53 -2.578 6.926 -2.206 1.00 0.00 C ATOM 767 CG GLU A 53 -3.180 8.009 -1.325 1.00 0.00 C ATOM 768 CD GLU A 53 -4.658 7.794 -1.065 1.00 0.00 C ATOM 769 OE1 GLU A 53 -4.993 7.017 -0.147 1.00 0.00 O ATOM 770 OE2 GLU A 53 -5.480 8.403 -1.782 1.00 0.00 O ATOM 0 H GLU A 53 -2.195 7.165 -4.973 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.908 8.237 -2.536 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.351 6.536 -2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.250 6.098 -1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.648 8.036 -0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.036 8.980 -1.799 1.00 0.00 H new ATOM 777 N GLU A 54 0.572 6.204 -2.305 1.00 0.00 N ATOM 778 CA GLU A 54 1.600 5.171 -2.357 1.00 0.00 C ATOM 779 C GLU A 54 2.119 4.848 -0.959 1.00 0.00 C ATOM 780 O GLU A 54 1.712 5.465 0.024 1.00 0.00 O ATOM 781 CB GLU A 54 2.757 5.618 -3.252 1.00 0.00 C ATOM 782 CG GLU A 54 2.349 5.872 -4.694 1.00 0.00 C ATOM 783 CD GLU A 54 3.406 6.630 -5.474 1.00 0.00 C ATOM 784 OE1 GLU A 54 3.788 7.735 -5.034 1.00 0.00 O ATOM 785 OE2 GLU A 54 3.849 6.120 -6.524 1.00 0.00 O ATOM 0 H GLU A 54 0.657 6.845 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 54 1.153 4.270 -2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.192 6.529 -2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.536 4.856 -3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.153 4.919 -5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.417 6.436 -4.710 1.00 0.00 H new ATOM 792 N GLY A 55 3.021 3.874 -0.880 1.00 0.00 N ATOM 793 CA GLY A 55 3.580 3.484 0.402 1.00 0.00 C ATOM 794 C GLY A 55 3.592 1.981 0.596 1.00 0.00 C ATOM 795 O GLY A 55 3.540 1.223 -0.372 1.00 0.00 O ATOM 0 H GLY A 55 3.374 3.349 -1.680 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.598 3.866 0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.002 3.946 1.203 1.00 0.00 H new ATOM 799 N TRP A 56 3.663 1.549 1.850 1.00 0.00 N ATOM 800 CA TRP A 56 3.684 0.126 2.168 1.00 0.00 C ATOM 801 C TRP A 56 2.376 -0.304 2.824 1.00 0.00 C ATOM 802 O TRP A 56 1.873 0.366 3.726 1.00 0.00 O ATOM 803 CB TRP A 56 4.861 -0.195 3.090 1.00 0.00 C ATOM 804 CG TRP A 56 6.176 -0.257 2.375 1.00 0.00 C ATOM 805 CD1 TRP A 56 7.258 0.552 2.576 1.00 0.00 C ATOM 806 CD2 TRP A 56 6.547 -1.176 1.341 1.00 0.00 C ATOM 807 NE1 TRP A 56 8.279 0.191 1.731 1.00 0.00 N ATOM 808 CE2 TRP A 56 7.869 -0.867 0.963 1.00 0.00 C ATOM 809 CE3 TRP A 56 5.892 -2.231 0.700 1.00 0.00 C ATOM 810 CZ2 TRP A 56 8.544 -1.575 -0.027 1.00 0.00 C ATOM 811 CZ3 TRP A 56 6.564 -2.933 -0.283 1.00 0.00 C ATOM 812 CH2 TRP A 56 7.879 -2.603 -0.638 1.00 0.00 C ATOM 0 H TRP A 56 3.707 2.164 2.663 1.00 0.00 H new ATOM 0 HA TRP A 56 3.801 -0.427 1.236 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.917 0.561 3.873 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.678 -1.150 3.582 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.304 1.357 3.294 1.00 0.00 H new ATOM 0 HE1 TRP A 56 9.194 0.638 1.683 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.879 -2.493 0.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 9.557 -1.322 -0.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.067 -3.750 -0.786 1.00 0.00 H new ATOM 0 HH2 TRP A 56 8.377 -3.171 -1.409 1.00 0.00 H new ATOM 823 N PHE A 57 1.830 -1.426 2.365 1.00 0.00 N ATOM 824 CA PHE A 57 0.580 -1.944 2.908 1.00 0.00 C ATOM 825 C PHE A 57 0.626 -3.465 3.023 1.00 0.00 C ATOM 826 O PHE A 57 1.206 -4.159 2.186 1.00 0.00 O ATOM 827 CB PHE A 57 -0.597 -1.524 2.025 1.00 0.00 C ATOM 828 CG PHE A 57 -0.797 -2.411 0.830 1.00 0.00 C ATOM 829 CD1 PHE A 57 -0.034 -2.237 -0.314 1.00 0.00 C ATOM 830 CD2 PHE A 57 -1.747 -3.420 0.850 1.00 0.00 C ATOM 831 CE1 PHE A 57 -0.216 -3.051 -1.415 1.00 0.00 C ATOM 832 CE2 PHE A 57 -1.933 -4.237 -0.249 1.00 0.00 C ATOM 833 CZ PHE A 57 -1.166 -4.054 -1.383 1.00 0.00 C ATOM 0 H PHE A 57 2.233 -1.993 1.619 1.00 0.00 H new ATOM 0 HA PHE A 57 0.445 -1.525 3.905 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.508 -1.524 2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.439 -0.500 1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.711 -1.456 -0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.349 -3.569 1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.384 -2.904 -2.301 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.678 -5.018 -0.221 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.308 -4.693 -2.242 1.00 0.00 H new ATOM 843 N PRO A 58 0.002 -3.997 4.084 1.00 0.00 N ATOM 844 CA PRO A 58 -0.042 -5.441 4.334 1.00 0.00 C ATOM 845 C PRO A 58 -0.918 -6.178 3.326 1.00 0.00 C ATOM 846 O PRO A 58 -1.919 -5.642 2.852 1.00 0.00 O ATOM 847 CB PRO A 58 -0.644 -5.539 5.738 1.00 0.00 C ATOM 848 CG PRO A 58 -1.441 -4.290 5.897 1.00 0.00 C ATOM 849 CD PRO A 58 -0.709 -3.231 5.121 1.00 0.00 C ATOM 0 HA PRO A 58 0.942 -5.901 4.244 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.272 -6.424 5.839 1.00 0.00 H new ATOM 0 HB3 PRO A 58 0.134 -5.612 6.498 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.454 -4.422 5.517 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.528 -4.014 6.948 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.396 -2.506 4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.018 -2.675 5.754 1.00 0.00 H new ATOM 857 N ALA A 59 -0.534 -7.408 3.004 1.00 0.00 N ATOM 858 CA ALA A 59 -1.287 -8.219 2.054 1.00 0.00 C ATOM 859 C ALA A 59 -2.442 -8.938 2.741 1.00 0.00 C ATOM 860 O ALA A 59 -3.382 -9.390 2.087 1.00 0.00 O ATOM 861 CB ALA A 59 -0.368 -9.223 1.373 1.00 0.00 C ATOM 0 H ALA A 59 0.294 -7.865 3.386 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.705 -7.555 1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.943 -9.822 0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.421 -8.691 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.077 -9.876 2.124 1.00 0.00 H new ATOM 867 N SER A 60 -2.366 -9.042 4.064 1.00 0.00 N ATOM 868 CA SER A 60 -3.404 -9.711 4.839 1.00 0.00 C ATOM 869 C SER A 60 -4.576 -8.770 5.104 1.00 0.00 C ATOM 870 O SER A 60 -5.472 -9.081 5.890 1.00 0.00 O ATOM 871 CB SER A 60 -2.834 -10.218 6.165 1.00 0.00 C ATOM 872 OG SER A 60 -3.782 -11.010 6.859 1.00 0.00 O ATOM 0 H SER A 60 -1.596 -8.671 4.621 1.00 0.00 H new ATOM 0 HA SER A 60 -3.765 -10.560 4.258 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.934 -10.804 5.977 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.539 -9.371 6.785 1.00 0.00 H new ATOM 0 HG SER A 60 -4.647 -10.550 6.869 1.00 0.00 H new ATOM 878 N PHE A 61 -4.563 -7.618 4.442 1.00 0.00 N ATOM 879 CA PHE A 61 -5.623 -6.630 4.605 1.00 0.00 C ATOM 880 C PHE A 61 -6.375 -6.419 3.294 1.00 0.00 C ATOM 881 O PHE A 61 -7.363 -5.686 3.244 1.00 0.00 O ATOM 882 CB PHE A 61 -5.041 -5.302 5.092 1.00 0.00 C ATOM 883 CG PHE A 61 -4.832 -5.248 6.578 1.00 0.00 C ATOM 884 CD1 PHE A 61 -4.161 -6.267 7.234 1.00 0.00 C ATOM 885 CD2 PHE A 61 -5.306 -4.178 7.319 1.00 0.00 C ATOM 886 CE1 PHE A 61 -3.968 -6.221 8.602 1.00 0.00 C ATOM 887 CE2 PHE A 61 -5.116 -4.125 8.688 1.00 0.00 C ATOM 888 CZ PHE A 61 -4.445 -5.148 9.329 1.00 0.00 C ATOM 0 H PHE A 61 -3.830 -7.346 3.787 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.325 -7.006 5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.088 -5.127 4.593 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.708 -4.492 4.797 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.784 -7.107 6.670 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.830 -3.375 6.822 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.445 -7.023 9.102 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.491 -3.286 9.254 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.293 -5.109 10.398 1.00 0.00 H new ATOM 898 N VAL A 62 -5.901 -7.066 2.235 1.00 0.00 N ATOM 899 CA VAL A 62 -6.527 -6.950 0.924 1.00 0.00 C ATOM 900 C VAL A 62 -6.658 -8.314 0.254 1.00 0.00 C ATOM 901 O VAL A 62 -5.850 -9.213 0.491 1.00 0.00 O ATOM 902 CB VAL A 62 -5.728 -6.012 0.000 1.00 0.00 C ATOM 903 CG1 VAL A 62 -5.412 -4.705 0.712 1.00 0.00 C ATOM 904 CG2 VAL A 62 -4.453 -6.692 -0.476 1.00 0.00 C ATOM 0 H VAL A 62 -5.084 -7.677 2.259 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.520 -6.530 1.085 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.338 -5.784 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.847 -4.054 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.341 -4.213 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.821 -4.911 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.901 -6.015 -1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.836 -6.951 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.707 -7.598 -1.026 1.00 0.00 H new ATOM 914 N ARG A 63 -7.679 -8.461 -0.583 1.00 0.00 N ATOM 915 CA ARG A 63 -7.916 -9.716 -1.287 1.00 0.00 C ATOM 916 C ARG A 63 -7.600 -9.574 -2.773 1.00 0.00 C ATOM 917 O ARG A 63 -7.932 -8.565 -3.395 1.00 0.00 O ATOM 918 CB ARG A 63 -9.368 -10.162 -1.104 1.00 0.00 C ATOM 919 CG ARG A 63 -10.383 -9.166 -1.641 1.00 0.00 C ATOM 920 CD ARG A 63 -11.647 -9.863 -2.120 1.00 0.00 C ATOM 921 NE ARG A 63 -11.441 -10.564 -3.384 1.00 0.00 N ATOM 922 CZ ARG A 63 -12.411 -11.183 -4.048 1.00 0.00 C ATOM 923 NH1 ARG A 63 -13.648 -11.186 -3.571 1.00 0.00 N ATOM 924 NH2 ARG A 63 -12.144 -11.799 -5.192 1.00 0.00 N ATOM 0 H ARG A 63 -8.356 -7.727 -0.791 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.255 -10.472 -0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.511 -11.120 -1.605 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.558 -10.326 -0.043 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.636 -8.447 -0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.942 -8.603 -2.464 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.979 -10.573 -1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.443 -9.128 -2.239 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.501 -10.579 -3.779 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.857 -10.712 -2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.391 -11.662 -4.083 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.194 -11.798 -5.562 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.889 -12.274 -5.701 1.00 0.00 H new ATOM 938 N LEU A 64 -6.955 -10.590 -3.334 1.00 0.00 N ATOM 939 CA LEU A 64 -6.593 -10.579 -4.747 1.00 0.00 C ATOM 940 C LEU A 64 -7.782 -10.971 -5.618 1.00 0.00 C ATOM 941 O LEU A 64 -8.682 -11.683 -5.172 1.00 0.00 O ATOM 942 CB LEU A 64 -5.424 -11.533 -5.002 1.00 0.00 C ATOM 943 CG LEU A 64 -4.028 -10.973 -4.728 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.633 -11.211 -3.279 1.00 0.00 C ATOM 945 CD2 LEU A 64 -3.009 -11.596 -5.670 1.00 0.00 C ATOM 0 H LEU A 64 -6.672 -11.432 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.292 -9.565 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.565 -12.421 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.466 -11.857 -6.042 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.047 -9.898 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.637 -10.806 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.348 -10.717 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.631 -12.281 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.021 -11.186 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.992 -12.676 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.283 -11.373 -6.701 1.00 0.00 H new ATOM 957 N TRP A 65 -7.779 -10.503 -6.861 1.00 0.00 N ATOM 958 CA TRP A 65 -8.857 -10.807 -7.795 1.00 0.00 C ATOM 959 C TRP A 65 -8.733 -12.231 -8.325 1.00 0.00 C ATOM 960 O TRP A 65 -8.120 -12.464 -9.367 1.00 0.00 O ATOM 961 CB TRP A 65 -8.848 -9.813 -8.957 1.00 0.00 C ATOM 962 CG TRP A 65 -9.491 -8.502 -8.623 1.00 0.00 C ATOM 963 CD1 TRP A 65 -10.449 -8.276 -7.675 1.00 0.00 C ATOM 964 CD2 TRP A 65 -9.226 -7.236 -9.237 1.00 0.00 C ATOM 965 NE1 TRP A 65 -10.794 -6.946 -7.663 1.00 0.00 N ATOM 966 CE2 TRP A 65 -10.057 -6.287 -8.610 1.00 0.00 C ATOM 967 CE3 TRP A 65 -8.365 -6.811 -10.252 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -10.053 -4.941 -8.969 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -8.362 -5.475 -10.607 1.00 0.00 C ATOM 970 CH2 TRP A 65 -9.200 -4.553 -9.967 1.00 0.00 C ATOM 0 H TRP A 65 -7.042 -9.912 -7.245 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.803 -10.720 -7.260 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.818 -9.636 -9.266 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.364 -10.256 -9.809 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -10.873 -9.032 -7.030 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -11.487 -6.519 -7.048 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.714 -7.514 -10.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.700 -4.229 -8.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.702 -5.136 -11.392 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -9.173 -3.516 -10.267 1.00 0.00 H new ATOM 981 N VAL A 66 -9.319 -13.180 -7.603 1.00 0.00 N ATOM 982 CA VAL A 66 -9.275 -14.582 -8.003 1.00 0.00 C ATOM 983 C VAL A 66 -10.362 -15.388 -7.302 1.00 0.00 C ATOM 984 O VAL A 66 -10.616 -15.203 -6.112 1.00 0.00 O ATOM 985 CB VAL A 66 -7.904 -15.211 -7.693 1.00 0.00 C ATOM 986 CG1 VAL A 66 -7.611 -15.146 -6.202 1.00 0.00 C ATOM 987 CG2 VAL A 66 -7.852 -16.647 -8.192 1.00 0.00 C ATOM 0 H VAL A 66 -9.830 -13.004 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.444 -14.609 -9.079 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.136 -14.640 -8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.638 -15.595 -6.002 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.604 -14.105 -5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.381 -15.691 -5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.876 -17.076 -7.965 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.629 -17.232 -7.700 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.013 -16.664 -9.270 1.00 0.00 H new ATOM 997 N ASN A 67 -11.001 -16.284 -8.047 1.00 0.00 N ATOM 998 CA ASN A 67 -12.062 -17.119 -7.497 1.00 0.00 C ATOM 999 C ASN A 67 -11.512 -18.071 -6.439 1.00 0.00 C ATOM 1000 O ASN A 67 -10.641 -18.893 -6.723 1.00 0.00 O ATOM 1001 CB ASN A 67 -12.742 -17.916 -8.612 1.00 0.00 C ATOM 1002 CG ASN A 67 -13.805 -18.860 -8.082 1.00 0.00 C ATOM 1003 OD1 ASN A 67 -14.513 -18.542 -7.127 1.00 0.00 O ATOM 1004 ND2 ASN A 67 -13.921 -20.028 -8.703 1.00 0.00 N ATOM 0 H ASN A 67 -10.802 -16.450 -9.034 1.00 0.00 H new ATOM 0 HA ASN A 67 -12.797 -16.466 -7.026 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.195 -17.226 -9.324 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.991 -18.488 -9.156 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.619 -20.704 -8.392 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.312 -20.249 -9.491 1.00 0.00 H new ATOM 1011 N GLN A 68 -12.026 -17.953 -5.219 1.00 0.00 N ATOM 1012 CA GLN A 68 -11.586 -18.802 -4.119 1.00 0.00 C ATOM 1013 C GLN A 68 -12.035 -20.244 -4.332 1.00 0.00 C ATOM 1014 O GLN A 68 -13.085 -20.656 -3.841 1.00 0.00 O ATOM 1015 CB GLN A 68 -12.132 -18.277 -2.791 1.00 0.00 C ATOM 1016 CG GLN A 68 -11.289 -18.670 -1.588 1.00 0.00 C ATOM 1017 CD GLN A 68 -11.347 -20.156 -1.296 1.00 0.00 C ATOM 1018 OE1 GLN A 68 -10.660 -20.953 -1.935 1.00 0.00 O ATOM 1019 NE2 GLN A 68 -12.169 -20.537 -0.325 1.00 0.00 N ATOM 0 H GLN A 68 -12.748 -17.277 -4.968 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.497 -18.780 -4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.197 -17.190 -2.839 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.146 -18.651 -2.651 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.254 -18.378 -1.764 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.632 -18.118 -0.713 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.720 -19.842 0.179 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.249 -21.525 -0.083 1.00 0.00 H new ATOM 1028 N GLU A 69 -11.231 -21.007 -5.068 1.00 0.00 N ATOM 1029 CA GLU A 69 -11.548 -22.403 -5.346 1.00 0.00 C ATOM 1030 C GLU A 69 -11.828 -23.165 -4.054 1.00 0.00 C ATOM 1031 O GLU A 69 -10.915 -23.445 -3.276 1.00 0.00 O ATOM 1032 CB GLU A 69 -10.397 -23.068 -6.105 1.00 0.00 C ATOM 1033 CG GLU A 69 -10.548 -24.574 -6.241 1.00 0.00 C ATOM 1034 CD GLU A 69 -11.573 -24.965 -7.288 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -11.315 -24.730 -8.488 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -12.632 -25.506 -6.908 1.00 0.00 O ATOM 0 H GLU A 69 -10.357 -20.682 -5.481 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.445 -22.430 -5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.326 -22.627 -7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.460 -22.850 -5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.584 -25.010 -6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.839 -24.995 -5.278 1.00 0.00 H new ATOM 1043 N ASP A 70 -13.095 -23.497 -3.833 1.00 0.00 N ATOM 1044 CA ASP A 70 -13.496 -24.227 -2.636 1.00 0.00 C ATOM 1045 C ASP A 70 -13.157 -25.709 -2.764 1.00 0.00 C ATOM 1046 O ASP A 70 -12.760 -26.174 -3.832 1.00 0.00 O ATOM 1047 CB ASP A 70 -14.995 -24.054 -2.386 1.00 0.00 C ATOM 1048 CG ASP A 70 -15.827 -24.367 -3.614 1.00 0.00 C ATOM 1049 OD1 ASP A 70 -15.796 -25.529 -4.070 1.00 0.00 O ATOM 1050 OD2 ASP A 70 -16.508 -23.450 -4.119 1.00 0.00 O ATOM 0 H ASP A 70 -13.862 -23.272 -4.467 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.944 -23.818 -1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.301 -24.705 -1.568 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.192 -23.030 -2.069 1.00 0.00 H new ATOM 1055 N GLU A 71 -13.315 -26.444 -1.668 1.00 0.00 N ATOM 1056 CA GLU A 71 -13.024 -27.873 -1.659 1.00 0.00 C ATOM 1057 C GLU A 71 -14.067 -28.646 -2.460 1.00 0.00 C ATOM 1058 O GLU A 71 -15.267 -28.528 -2.215 1.00 0.00 O ATOM 1059 CB GLU A 71 -12.977 -28.397 -0.222 1.00 0.00 C ATOM 1060 CG GLU A 71 -11.793 -27.879 0.577 1.00 0.00 C ATOM 1061 CD GLU A 71 -10.498 -28.585 0.225 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -9.968 -28.339 -0.879 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -10.014 -29.383 1.054 1.00 0.00 O ATOM 0 H GLU A 71 -13.643 -26.074 -0.776 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.050 -28.022 -2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.899 -28.117 0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.942 -29.486 -0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.679 -26.810 0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.994 -28.006 1.641 1.00 0.00 H new ATOM 1070 N VAL A 72 -13.599 -29.438 -3.420 1.00 0.00 N ATOM 1071 CA VAL A 72 -14.490 -30.232 -4.258 1.00 0.00 C ATOM 1072 C VAL A 72 -14.766 -31.594 -3.631 1.00 0.00 C ATOM 1073 O VAL A 72 -14.554 -32.631 -4.258 1.00 0.00 O ATOM 1074 CB VAL A 72 -13.902 -30.437 -5.667 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -13.757 -29.104 -6.385 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -12.563 -31.156 -5.585 1.00 0.00 C ATOM 0 H VAL A 72 -12.608 -29.547 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 72 -15.425 -29.677 -4.340 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.589 -31.059 -6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.340 -29.269 -7.378 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.735 -28.631 -6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.092 -28.455 -5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -12.161 -31.293 -6.589 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.867 -30.562 -4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -12.701 -32.129 -5.114 1.00 0.00 H new ATOM 1086 N GLU A 73 -15.241 -31.582 -2.390 1.00 0.00 N ATOM 1087 CA GLU A 73 -15.546 -32.818 -1.677 1.00 0.00 C ATOM 1088 C GLU A 73 -16.764 -32.639 -0.776 1.00 0.00 C ATOM 1089 O GLU A 73 -16.752 -31.824 0.146 1.00 0.00 O ATOM 1090 CB GLU A 73 -14.342 -33.263 -0.845 1.00 0.00 C ATOM 1091 CG GLU A 73 -14.596 -34.521 -0.032 1.00 0.00 C ATOM 1092 CD GLU A 73 -15.405 -34.252 1.222 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -15.353 -33.111 1.729 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -16.089 -35.182 1.697 1.00 0.00 O ATOM 0 H GLU A 73 -15.423 -30.731 -1.857 1.00 0.00 H new ATOM 0 HA GLU A 73 -15.772 -33.588 -2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.495 -33.435 -1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.059 -32.455 -0.170 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.122 -35.248 -0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.642 -34.969 0.245 1.00 0.00 H new ATOM 1101 N GLU A 74 -17.813 -33.409 -1.049 1.00 0.00 N ATOM 1102 CA GLU A 74 -19.039 -33.335 -0.263 1.00 0.00 C ATOM 1103 C GLU A 74 -19.557 -34.731 0.070 1.00 0.00 C ATOM 1104 O GLU A 74 -19.154 -35.718 -0.545 1.00 0.00 O ATOM 1105 CB GLU A 74 -20.111 -32.549 -1.021 1.00 0.00 C ATOM 1106 CG GLU A 74 -20.508 -33.182 -2.344 1.00 0.00 C ATOM 1107 CD GLU A 74 -21.350 -34.430 -2.164 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -22.240 -34.423 -1.288 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -21.119 -35.414 -2.898 1.00 0.00 O ATOM 0 H GLU A 74 -17.838 -34.090 -1.808 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.811 -32.819 0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -20.996 -32.458 -0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -19.746 -31.539 -1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -21.063 -32.456 -2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -19.609 -33.433 -2.907 1.00 0.00 H new ATOM 1116 N GLY A 75 -20.454 -34.806 1.049 1.00 0.00 N ATOM 1117 CA GLY A 75 -21.012 -36.084 1.448 1.00 0.00 C ATOM 1118 C GLY A 75 -22.333 -35.938 2.178 1.00 0.00 C ATOM 1119 O GLY A 75 -23.397 -36.168 1.603 1.00 0.00 O ATOM 0 H GLY A 75 -20.804 -34.004 1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -21.156 -36.706 0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -20.301 -36.603 2.091 1.00 0.00 H new ATOM 1123 N SER A 76 -22.265 -35.557 3.449 1.00 0.00 N ATOM 1124 CA SER A 76 -23.464 -35.385 4.261 1.00 0.00 C ATOM 1125 C SER A 76 -23.989 -33.956 4.161 1.00 0.00 C ATOM 1126 O SER A 76 -23.253 -33.036 3.807 1.00 0.00 O ATOM 1127 CB SER A 76 -23.171 -35.732 5.722 1.00 0.00 C ATOM 1128 OG SER A 76 -24.363 -36.048 6.421 1.00 0.00 O ATOM 0 H SER A 76 -21.392 -35.361 3.939 1.00 0.00 H new ATOM 0 HA SER A 76 -24.229 -36.062 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 76 -22.484 -36.577 5.767 1.00 0.00 H new ATOM 0 HB3 SER A 76 -22.674 -34.891 6.206 1.00 0.00 H new ATOM 0 HG SER A 76 -24.148 -36.268 7.352 1.00 0.00 H new ATOM 1134 N GLY A 77 -25.269 -33.779 4.474 1.00 0.00 N ATOM 1135 CA GLY A 77 -25.872 -32.460 4.414 1.00 0.00 C ATOM 1136 C GLY A 77 -26.044 -31.837 5.785 1.00 0.00 C ATOM 1137 O GLY A 77 -26.273 -32.527 6.779 1.00 0.00 O ATOM 0 H GLY A 77 -25.899 -34.525 4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -25.252 -31.809 3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -26.844 -32.530 3.926 1.00 0.00 H new ATOM 1141 N PRO A 78 -25.932 -30.502 5.851 1.00 0.00 N ATOM 1142 CA PRO A 78 -26.072 -29.758 7.106 1.00 0.00 C ATOM 1143 C PRO A 78 -27.506 -29.761 7.625 1.00 0.00 C ATOM 1144 O PRO A 78 -28.404 -30.317 6.992 1.00 0.00 O ATOM 1145 CB PRO A 78 -25.645 -28.338 6.726 1.00 0.00 C ATOM 1146 CG PRO A 78 -25.908 -28.242 5.262 1.00 0.00 C ATOM 1147 CD PRO A 78 -25.660 -29.617 4.706 1.00 0.00 C ATOM 0 HA PRO A 78 -25.478 -30.197 7.908 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -26.214 -27.592 7.280 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -24.592 -28.168 6.951 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -26.932 -27.922 5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -25.252 -27.508 4.795 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -26.318 -29.835 3.865 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -24.637 -29.727 4.347 1.00 0.00 H new ATOM 1155 N SER A 79 -27.714 -29.137 8.780 1.00 0.00 N ATOM 1156 CA SER A 79 -29.039 -29.071 9.385 1.00 0.00 C ATOM 1157 C SER A 79 -29.989 -28.241 8.526 1.00 0.00 C ATOM 1158 O SER A 79 -30.085 -27.025 8.686 1.00 0.00 O ATOM 1159 CB SER A 79 -28.952 -28.474 10.791 1.00 0.00 C ATOM 1160 OG SER A 79 -28.697 -27.081 10.738 1.00 0.00 O ATOM 0 H SER A 79 -26.982 -28.670 9.315 1.00 0.00 H new ATOM 0 HA SER A 79 -29.431 -30.086 9.452 1.00 0.00 H new ATOM 0 HB2 SER A 79 -29.884 -28.656 11.325 1.00 0.00 H new ATOM 0 HB3 SER A 79 -28.161 -28.971 11.352 1.00 0.00 H new ATOM 0 HG SER A 79 -29.401 -26.639 10.218 1.00 0.00 H new ATOM 1166 N SER A 80 -30.687 -28.909 7.613 1.00 0.00 N ATOM 1167 CA SER A 80 -31.626 -28.234 6.725 1.00 0.00 C ATOM 1168 C SER A 80 -32.934 -27.929 7.448 1.00 0.00 C ATOM 1169 O SER A 80 -33.213 -28.482 8.511 1.00 0.00 O ATOM 1170 CB SER A 80 -31.902 -29.095 5.490 1.00 0.00 C ATOM 1171 OG SER A 80 -32.456 -30.347 5.855 1.00 0.00 O ATOM 0 H SER A 80 -30.620 -29.917 7.469 1.00 0.00 H new ATOM 0 HA SER A 80 -31.177 -27.292 6.410 1.00 0.00 H new ATOM 0 HB2 SER A 80 -32.587 -28.571 4.823 1.00 0.00 H new ATOM 0 HB3 SER A 80 -30.976 -29.251 4.937 1.00 0.00 H new ATOM 0 HG SER A 80 -32.625 -30.878 5.049 1.00 0.00 H new ATOM 1177 N GLY A 81 -33.734 -27.042 6.863 1.00 0.00 N ATOM 1178 CA GLY A 81 -35.003 -26.677 7.465 1.00 0.00 C ATOM 1179 C GLY A 81 -34.943 -26.658 8.979 1.00 0.00 C ATOM 1180 O GLY A 81 -35.664 -27.400 9.645 1.00 0.00 O ATOM 0 H GLY A 81 -33.526 -26.570 5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -35.303 -25.693 7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -35.770 -27.382 7.144 1.00 0.00 H new TER 1184 GLY A 81