USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 526 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+ -119:sc= 0.0933 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.354 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 136:sc= -0.39 (180deg=-1.45!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 77:sc= 0.057 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.5!) USER MOD Single : A 35 GLN : amide:sc= -0.0654 X(o=-0.065,f=-0.54) USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= 0.842 (180deg=0.653) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0394 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 167:sc= 0 (180deg=-0.188) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 160:sc= -0.828 USER MOD Single : A 56 THR OG1 : rot -98:sc= 1.18 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -1.62 K(o=-1.6,f=-3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.153 -20.060 -13.100 1.00 0.00 N ATOM 2 CA GLY A 1 14.478 -19.665 -11.878 1.00 0.00 C ATOM 3 C GLY A 1 14.068 -18.206 -11.887 1.00 0.00 C ATOM 4 O GLY A 1 14.396 -17.468 -12.816 1.00 0.00 O ATOM 0 H1 GLY A 1 14.608 -20.810 -13.571 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.232 -19.239 -13.734 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.104 -20.414 -12.872 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.594 -20.287 -11.738 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.135 -19.849 -11.028 1.00 0.00 H new ATOM 8 N SER A 2 13.346 -17.789 -10.852 1.00 0.00 N ATOM 9 CA SER A 2 12.884 -16.409 -10.748 1.00 0.00 C ATOM 10 C SER A 2 14.044 -15.472 -10.424 1.00 0.00 C ATOM 11 O SER A 2 15.167 -15.916 -10.184 1.00 0.00 O ATOM 12 CB SER A 2 11.803 -16.291 -9.673 1.00 0.00 C ATOM 13 OG SER A 2 10.612 -16.948 -10.071 1.00 0.00 O ATOM 0 H SER A 2 13.068 -18.387 -10.073 1.00 0.00 H new ATOM 0 HA SER A 2 12.462 -16.119 -11.710 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.165 -16.723 -8.740 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.594 -15.239 -9.478 1.00 0.00 H new ATOM 0 HG SER A 2 9.938 -16.859 -9.365 1.00 0.00 H new ATOM 19 N SER A 3 13.763 -14.172 -10.421 1.00 0.00 N ATOM 20 CA SER A 3 14.782 -13.171 -10.131 1.00 0.00 C ATOM 21 C SER A 3 14.773 -12.799 -8.651 1.00 0.00 C ATOM 22 O SER A 3 15.780 -12.938 -7.959 1.00 0.00 O ATOM 23 CB SER A 3 14.556 -11.921 -10.984 1.00 0.00 C ATOM 24 OG SER A 3 13.328 -11.295 -10.655 1.00 0.00 O ATOM 0 H SER A 3 12.838 -13.788 -10.616 1.00 0.00 H new ATOM 0 HA SER A 3 15.755 -13.598 -10.374 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.377 -11.220 -10.833 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.558 -12.192 -12.040 1.00 0.00 H new ATOM 0 HG SER A 3 13.207 -10.498 -11.212 1.00 0.00 H new ATOM 30 N GLY A 4 13.626 -12.325 -8.174 1.00 0.00 N ATOM 31 CA GLY A 4 13.506 -11.940 -6.780 1.00 0.00 C ATOM 32 C GLY A 4 12.109 -12.163 -6.235 1.00 0.00 C ATOM 33 O GLY A 4 11.210 -12.580 -6.965 1.00 0.00 O ATOM 0 H GLY A 4 12.778 -12.201 -8.728 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.220 -12.511 -6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.771 -10.888 -6.673 1.00 0.00 H new ATOM 37 N SER A 5 11.927 -11.886 -4.947 1.00 0.00 N ATOM 38 CA SER A 5 10.631 -12.064 -4.304 1.00 0.00 C ATOM 39 C SER A 5 9.905 -10.729 -4.164 1.00 0.00 C ATOM 40 O SER A 5 9.304 -10.442 -3.129 1.00 0.00 O ATOM 41 CB SER A 5 10.805 -12.709 -2.928 1.00 0.00 C ATOM 42 OG SER A 5 11.180 -14.071 -3.046 1.00 0.00 O ATOM 0 H SER A 5 12.660 -11.538 -4.329 1.00 0.00 H new ATOM 0 HA SER A 5 10.029 -12.721 -4.932 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.563 -12.168 -2.363 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.874 -12.632 -2.367 1.00 0.00 H new ATOM 0 HG SER A 5 11.286 -14.460 -2.153 1.00 0.00 H new ATOM 48 N SER A 6 9.968 -9.917 -5.214 1.00 0.00 N ATOM 49 CA SER A 6 9.321 -8.610 -5.209 1.00 0.00 C ATOM 50 C SER A 6 8.184 -8.562 -6.225 1.00 0.00 C ATOM 51 O SER A 6 8.326 -9.027 -7.355 1.00 0.00 O ATOM 52 CB SER A 6 10.340 -7.511 -5.515 1.00 0.00 C ATOM 53 OG SER A 6 11.463 -7.604 -4.656 1.00 0.00 O ATOM 0 H SER A 6 10.460 -10.141 -6.079 1.00 0.00 H new ATOM 0 HA SER A 6 8.905 -8.443 -4.216 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.664 -7.590 -6.553 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.871 -6.534 -5.401 1.00 0.00 H new ATOM 0 HG SER A 6 12.100 -6.892 -4.873 1.00 0.00 H new ATOM 59 N GLY A 7 7.053 -7.995 -5.813 1.00 0.00 N ATOM 60 CA GLY A 7 5.908 -7.896 -6.699 1.00 0.00 C ATOM 61 C GLY A 7 4.708 -7.261 -6.025 1.00 0.00 C ATOM 62 O GLY A 7 4.698 -6.059 -5.765 1.00 0.00 O ATOM 0 H GLY A 7 6.910 -7.603 -4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.181 -7.310 -7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.638 -8.891 -7.052 1.00 0.00 H new ATOM 66 N MET A 8 3.692 -8.072 -5.743 1.00 0.00 N ATOM 67 CA MET A 8 2.481 -7.581 -5.096 1.00 0.00 C ATOM 68 C MET A 8 2.803 -6.955 -3.743 1.00 0.00 C ATOM 69 O MET A 8 3.167 -7.654 -2.797 1.00 0.00 O ATOM 70 CB MET A 8 1.476 -8.720 -4.918 1.00 0.00 C ATOM 71 CG MET A 8 0.985 -9.308 -6.231 1.00 0.00 C ATOM 72 SD MET A 8 2.033 -10.649 -6.826 1.00 0.00 S ATOM 73 CE MET A 8 1.883 -11.820 -5.479 1.00 0.00 C ATOM 0 H MET A 8 3.684 -9.070 -5.952 1.00 0.00 H new ATOM 0 HA MET A 8 2.042 -6.815 -5.735 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.936 -9.510 -4.325 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.620 -8.353 -4.351 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.032 -9.677 -6.101 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.945 -8.521 -6.985 1.00 0.00 H new ATOM 0 HE1 MET A 8 1.739 -12.822 -5.883 1.00 0.00 H new ATOM 0 HE2 MET A 8 2.791 -11.799 -4.876 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.028 -11.552 -4.858 1.00 0.00 H new ATOM 83 N GLU A 9 2.666 -5.635 -3.658 1.00 0.00 N ATOM 84 CA GLU A 9 2.945 -4.917 -2.420 1.00 0.00 C ATOM 85 C GLU A 9 1.674 -4.749 -1.591 1.00 0.00 C ATOM 86 O GLU A 9 0.597 -4.507 -2.133 1.00 0.00 O ATOM 87 CB GLU A 9 3.554 -3.547 -2.725 1.00 0.00 C ATOM 88 CG GLU A 9 3.727 -2.671 -1.495 1.00 0.00 C ATOM 89 CD GLU A 9 4.950 -3.045 -0.680 1.00 0.00 C ATOM 90 OE1 GLU A 9 6.078 -2.820 -1.165 1.00 0.00 O ATOM 91 OE2 GLU A 9 4.777 -3.563 0.443 1.00 0.00 O ATOM 0 H GLU A 9 2.364 -5.042 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 9 3.660 -5.503 -1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.525 -3.688 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.920 -3.028 -3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.806 -1.629 -1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.839 -2.751 -0.868 1.00 0.00 H new ATOM 98 N GLU A 10 1.810 -4.879 -0.275 1.00 0.00 N ATOM 99 CA GLU A 10 0.674 -4.743 0.626 1.00 0.00 C ATOM 100 C GLU A 10 0.968 -3.722 1.722 1.00 0.00 C ATOM 101 O GLU A 10 1.780 -3.970 2.614 1.00 0.00 O ATOM 102 CB GLU A 10 0.327 -6.094 1.254 1.00 0.00 C ATOM 103 CG GLU A 10 -0.744 -6.010 2.329 1.00 0.00 C ATOM 104 CD GLU A 10 -2.147 -5.976 1.755 1.00 0.00 C ATOM 105 OE1 GLU A 10 -2.580 -4.894 1.308 1.00 0.00 O ATOM 106 OE2 GLU A 10 -2.811 -7.034 1.752 1.00 0.00 O ATOM 0 H GLU A 10 2.696 -5.078 0.190 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.178 -4.392 0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.009 -6.773 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.230 -6.527 1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.650 -6.866 2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.580 -5.116 2.931 1.00 0.00 H new ATOM 113 N TRP A 11 0.303 -2.575 1.647 1.00 0.00 N ATOM 114 CA TRP A 11 0.494 -1.515 2.632 1.00 0.00 C ATOM 115 C TRP A 11 -0.265 -1.824 3.918 1.00 0.00 C ATOM 116 O TRP A 11 -1.496 -1.862 3.929 1.00 0.00 O ATOM 117 CB TRP A 11 0.033 -0.173 2.063 1.00 0.00 C ATOM 118 CG TRP A 11 1.035 0.457 1.142 1.00 0.00 C ATOM 119 CD1 TRP A 11 1.475 -0.038 -0.052 1.00 0.00 C ATOM 120 CD2 TRP A 11 1.721 1.697 1.342 1.00 0.00 C ATOM 121 NE1 TRP A 11 2.394 0.820 -0.607 1.00 0.00 N ATOM 122 CE2 TRP A 11 2.561 1.893 0.228 1.00 0.00 C ATOM 123 CE3 TRP A 11 1.706 2.663 2.352 1.00 0.00 C ATOM 124 CZ2 TRP A 11 3.378 3.013 0.100 1.00 0.00 C ATOM 125 CZ3 TRP A 11 2.517 3.775 2.223 1.00 0.00 C ATOM 126 CH2 TRP A 11 3.344 3.943 1.104 1.00 0.00 C ATOM 0 H TRP A 11 -0.373 -2.355 0.915 1.00 0.00 H new ATOM 0 HA TRP A 11 1.557 -1.457 2.865 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.904 -0.317 1.525 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.174 0.511 2.886 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.149 -0.967 -0.495 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.874 0.680 -1.496 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.072 2.543 3.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.016 3.144 -0.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.513 4.527 2.998 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.966 4.823 1.032 1.00 0.00 H new ATOM 137 N SER A 12 0.475 -2.044 4.999 1.00 0.00 N ATOM 138 CA SER A 12 -0.130 -2.354 6.290 1.00 0.00 C ATOM 139 C SER A 12 -0.870 -1.142 6.847 1.00 0.00 C ATOM 140 O SER A 12 -0.445 -0.002 6.662 1.00 0.00 O ATOM 141 CB SER A 12 0.941 -2.812 7.281 1.00 0.00 C ATOM 142 OG SER A 12 1.558 -4.011 6.847 1.00 0.00 O ATOM 0 H SER A 12 1.495 -2.014 5.007 1.00 0.00 H new ATOM 0 HA SER A 12 -0.848 -3.161 6.144 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.694 -2.032 7.394 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.491 -2.965 8.262 1.00 0.00 H new ATOM 0 HG SER A 12 2.240 -4.282 7.497 1.00 0.00 H new ATOM 148 N ALA A 13 -1.981 -1.397 7.530 1.00 0.00 N ATOM 149 CA ALA A 13 -2.781 -0.329 8.116 1.00 0.00 C ATOM 150 C ALA A 13 -1.892 0.752 8.720 1.00 0.00 C ATOM 151 O ALA A 13 -2.031 1.934 8.403 1.00 0.00 O ATOM 152 CB ALA A 13 -3.723 -0.892 9.171 1.00 0.00 C ATOM 0 H ALA A 13 -2.348 -2.335 7.691 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.374 0.126 7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.314 -0.083 9.600 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.388 -1.623 8.712 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.142 -1.374 9.958 1.00 0.00 H new ATOM 158 N SER A 14 -0.980 0.341 9.596 1.00 0.00 N ATOM 159 CA SER A 14 -0.072 1.277 10.249 1.00 0.00 C ATOM 160 C SER A 14 0.605 2.183 9.225 1.00 0.00 C ATOM 161 O SER A 14 0.538 3.407 9.324 1.00 0.00 O ATOM 162 CB SER A 14 0.986 0.516 11.052 1.00 0.00 C ATOM 163 OG SER A 14 0.398 -0.185 12.134 1.00 0.00 O ATOM 0 H SER A 14 -0.851 -0.633 9.870 1.00 0.00 H new ATOM 0 HA SER A 14 -0.656 1.899 10.927 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.507 -0.185 10.400 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.732 1.215 11.430 1.00 0.00 H new ATOM 0 HG SER A 14 1.094 -0.664 12.630 1.00 0.00 H new ATOM 169 N GLU A 15 1.256 1.569 8.241 1.00 0.00 N ATOM 170 CA GLU A 15 1.945 2.321 7.199 1.00 0.00 C ATOM 171 C GLU A 15 0.984 3.264 6.481 1.00 0.00 C ATOM 172 O GLU A 15 1.239 4.463 6.374 1.00 0.00 O ATOM 173 CB GLU A 15 2.586 1.365 6.190 1.00 0.00 C ATOM 174 CG GLU A 15 3.968 0.885 6.599 1.00 0.00 C ATOM 175 CD GLU A 15 3.920 -0.329 7.506 1.00 0.00 C ATOM 176 OE1 GLU A 15 3.151 -0.307 8.488 1.00 0.00 O ATOM 177 OE2 GLU A 15 4.651 -1.304 7.229 1.00 0.00 O ATOM 0 H GLU A 15 1.320 0.556 8.144 1.00 0.00 H new ATOM 0 HA GLU A 15 2.725 2.917 7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.935 0.501 6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.655 1.864 5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.544 0.644 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.493 1.693 7.108 1.00 0.00 H new ATOM 184 N ALA A 16 -0.122 2.713 5.992 1.00 0.00 N ATOM 185 CA ALA A 16 -1.122 3.505 5.287 1.00 0.00 C ATOM 186 C ALA A 16 -1.467 4.771 6.062 1.00 0.00 C ATOM 187 O ALA A 16 -1.494 5.867 5.501 1.00 0.00 O ATOM 188 CB ALA A 16 -2.374 2.676 5.041 1.00 0.00 C ATOM 0 H ALA A 16 -0.348 1.722 6.071 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.702 3.803 4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.112 3.280 4.514 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.120 1.804 4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.787 2.349 5.995 1.00 0.00 H new ATOM 194 N CYS A 17 -1.732 4.614 7.355 1.00 0.00 N ATOM 195 CA CYS A 17 -2.078 5.745 8.208 1.00 0.00 C ATOM 196 C CYS A 17 -0.960 6.782 8.215 1.00 0.00 C ATOM 197 O CYS A 17 -1.213 7.985 8.135 1.00 0.00 O ATOM 198 CB CYS A 17 -2.356 5.268 9.634 1.00 0.00 C ATOM 199 SG CYS A 17 -3.889 4.325 9.811 1.00 0.00 S ATOM 0 H CYS A 17 -1.714 3.714 7.835 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.978 6.210 7.806 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.522 4.651 9.969 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.397 6.134 10.294 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.709 3.117 9.366 1.00 0.00 H new ATOM 205 N LEU A 18 0.278 6.309 8.312 1.00 0.00 N ATOM 206 CA LEU A 18 1.437 7.196 8.332 1.00 0.00 C ATOM 207 C LEU A 18 1.473 8.072 7.084 1.00 0.00 C ATOM 208 O LEU A 18 1.715 9.276 7.164 1.00 0.00 O ATOM 209 CB LEU A 18 2.727 6.380 8.434 1.00 0.00 C ATOM 210 CG LEU A 18 3.226 6.088 9.849 1.00 0.00 C ATOM 211 CD1 LEU A 18 3.977 4.766 9.887 1.00 0.00 C ATOM 212 CD2 LEU A 18 4.111 7.221 10.347 1.00 0.00 C ATOM 0 H LEU A 18 0.505 5.317 8.378 1.00 0.00 H new ATOM 0 HA LEU A 18 1.354 7.843 9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.574 5.430 7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.512 6.910 7.896 1.00 0.00 H new ATOM 0 HG LEU A 18 2.363 6.011 10.510 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.325 4.574 10.902 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.313 3.961 9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.832 4.814 9.213 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.457 6.996 11.356 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.970 7.330 9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.541 8.150 10.358 1.00 0.00 H new ATOM 224 N PHE A 19 1.228 7.459 5.929 1.00 0.00 N ATOM 225 CA PHE A 19 1.230 8.183 4.664 1.00 0.00 C ATOM 226 C PHE A 19 0.283 9.377 4.718 1.00 0.00 C ATOM 227 O PHE A 19 0.715 10.528 4.666 1.00 0.00 O ATOM 228 CB PHE A 19 0.831 7.252 3.519 1.00 0.00 C ATOM 229 CG PHE A 19 0.614 7.964 2.213 1.00 0.00 C ATOM 230 CD1 PHE A 19 1.687 8.486 1.508 1.00 0.00 C ATOM 231 CD2 PHE A 19 -0.660 8.111 1.693 1.00 0.00 C ATOM 232 CE1 PHE A 19 1.492 9.142 0.308 1.00 0.00 C ATOM 233 CE2 PHE A 19 -0.861 8.766 0.492 1.00 0.00 C ATOM 234 CZ PHE A 19 0.216 9.283 -0.201 1.00 0.00 C ATOM 0 H PHE A 19 1.026 6.463 5.844 1.00 0.00 H new ATOM 0 HA PHE A 19 2.240 8.552 4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.607 6.498 3.388 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.083 6.725 3.792 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.687 8.379 1.901 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.506 7.710 2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.337 9.544 -0.232 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.860 8.873 0.096 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.061 9.796 -1.139 1.00 0.00 H new ATOM 244 N GLU A 20 -1.012 9.094 4.823 1.00 0.00 N ATOM 245 CA GLU A 20 -2.021 10.145 4.882 1.00 0.00 C ATOM 246 C GLU A 20 -1.496 11.361 5.641 1.00 0.00 C ATOM 247 O GLU A 20 -1.390 12.453 5.084 1.00 0.00 O ATOM 248 CB GLU A 20 -3.294 9.623 5.553 1.00 0.00 C ATOM 249 CG GLU A 20 -3.984 8.518 4.771 1.00 0.00 C ATOM 250 CD GLU A 20 -5.202 7.968 5.489 1.00 0.00 C ATOM 251 OE1 GLU A 20 -6.302 8.530 5.305 1.00 0.00 O ATOM 252 OE2 GLU A 20 -5.053 6.976 6.232 1.00 0.00 O ATOM 0 H GLU A 20 -1.387 8.146 4.869 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.254 10.448 3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.045 9.252 6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.990 10.451 5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.284 8.901 3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.276 7.709 4.592 1.00 0.00 H new ATOM 259 N GLU A 21 -1.169 11.162 6.914 1.00 0.00 N ATOM 260 CA GLU A 21 -0.657 12.242 7.748 1.00 0.00 C ATOM 261 C GLU A 21 0.617 12.833 7.151 1.00 0.00 C ATOM 262 O GLU A 21 0.866 14.034 7.256 1.00 0.00 O ATOM 263 CB GLU A 21 -0.382 11.735 9.165 1.00 0.00 C ATOM 264 CG GLU A 21 0.701 10.671 9.231 1.00 0.00 C ATOM 265 CD GLU A 21 1.185 10.418 10.646 1.00 0.00 C ATOM 266 OE1 GLU A 21 0.490 9.696 11.391 1.00 0.00 O ATOM 267 OE2 GLU A 21 2.258 10.943 11.009 1.00 0.00 O ATOM 0 H GLU A 21 -1.250 10.263 7.390 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.415 13.025 7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.091 12.577 9.793 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.304 11.330 9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.318 9.741 8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.544 10.977 8.612 1.00 0.00 H new ATOM 274 N ALA A 22 1.422 11.980 6.526 1.00 0.00 N ATOM 275 CA ALA A 22 2.669 12.417 5.911 1.00 0.00 C ATOM 276 C ALA A 22 2.423 13.539 4.908 1.00 0.00 C ATOM 277 O ALA A 22 3.233 14.458 4.778 1.00 0.00 O ATOM 278 CB ALA A 22 3.363 11.244 5.235 1.00 0.00 C ATOM 0 H ALA A 22 1.233 10.982 6.432 1.00 0.00 H new ATOM 0 HA ALA A 22 3.317 12.804 6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.293 11.585 4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.582 10.475 5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.712 10.831 4.465 1.00 0.00 H new ATOM 284 N LEU A 23 1.303 13.457 4.199 1.00 0.00 N ATOM 285 CA LEU A 23 0.950 14.466 3.207 1.00 0.00 C ATOM 286 C LEU A 23 0.402 15.721 3.877 1.00 0.00 C ATOM 287 O LEU A 23 0.556 16.829 3.364 1.00 0.00 O ATOM 288 CB LEU A 23 -0.080 13.907 2.225 1.00 0.00 C ATOM 289 CG LEU A 23 -0.029 14.470 0.803 1.00 0.00 C ATOM 290 CD1 LEU A 23 1.295 14.125 0.141 1.00 0.00 C ATOM 291 CD2 LEU A 23 -1.194 13.942 -0.021 1.00 0.00 C ATOM 0 H LEU A 23 0.624 12.702 4.293 1.00 0.00 H new ATOM 0 HA LEU A 23 1.855 14.734 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.049 12.826 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.075 14.089 2.631 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.112 15.555 0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.314 14.533 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.114 14.552 0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.408 13.042 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.142 14.353 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.142 12.854 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.133 14.240 0.444 1.00 0.00 H new ATOM 303 N GLU A 24 -0.240 15.540 5.028 1.00 0.00 N ATOM 304 CA GLU A 24 -0.810 16.658 5.768 1.00 0.00 C ATOM 305 C GLU A 24 0.275 17.425 6.518 1.00 0.00 C ATOM 306 O GLU A 24 0.199 18.644 6.670 1.00 0.00 O ATOM 307 CB GLU A 24 -1.870 16.159 6.753 1.00 0.00 C ATOM 308 CG GLU A 24 -3.128 15.635 6.079 1.00 0.00 C ATOM 309 CD GLU A 24 -4.104 16.740 5.725 1.00 0.00 C ATOM 310 OE1 GLU A 24 -4.037 17.816 6.354 1.00 0.00 O ATOM 311 OE2 GLU A 24 -4.935 16.527 4.817 1.00 0.00 O ATOM 0 H GLU A 24 -0.378 14.630 5.467 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.278 17.333 5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.440 15.367 7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.140 16.973 7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.852 15.095 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.619 14.920 6.739 1.00 0.00 H new ATOM 318 N LYS A 25 1.286 16.701 6.986 1.00 0.00 N ATOM 319 CA LYS A 25 2.389 17.311 7.720 1.00 0.00 C ATOM 320 C LYS A 25 3.476 17.793 6.765 1.00 0.00 C ATOM 321 O LYS A 25 3.749 18.990 6.673 1.00 0.00 O ATOM 322 CB LYS A 25 2.978 16.311 8.718 1.00 0.00 C ATOM 323 CG LYS A 25 3.818 16.961 9.804 1.00 0.00 C ATOM 324 CD LYS A 25 4.685 15.941 10.523 1.00 0.00 C ATOM 325 CE LYS A 25 5.657 16.612 11.481 1.00 0.00 C ATOM 326 NZ LYS A 25 4.994 17.016 12.752 1.00 0.00 N ATOM 0 H LYS A 25 1.365 15.691 6.870 1.00 0.00 H new ATOM 0 HA LYS A 25 2.000 18.172 8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.165 15.753 9.183 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.592 15.590 8.178 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.451 17.732 9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.165 17.456 10.523 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.051 15.247 11.074 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.240 15.354 9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.479 15.931 11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.090 17.490 11.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.690 17.469 13.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.226 17.686 12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.602 16.175 13.222 1.00 0.00 H new ATOM 340 N TYR A 26 4.094 16.854 6.056 1.00 0.00 N ATOM 341 CA TYR A 26 5.152 17.183 5.110 1.00 0.00 C ATOM 342 C TYR A 26 4.570 17.727 3.808 1.00 0.00 C ATOM 343 O TYR A 26 4.779 18.889 3.459 1.00 0.00 O ATOM 344 CB TYR A 26 6.010 15.950 4.821 1.00 0.00 C ATOM 345 CG TYR A 26 7.170 15.782 5.777 1.00 0.00 C ATOM 346 CD1 TYR A 26 7.986 16.857 6.107 1.00 0.00 C ATOM 347 CD2 TYR A 26 7.448 14.548 6.351 1.00 0.00 C ATOM 348 CE1 TYR A 26 9.047 16.707 6.978 1.00 0.00 C ATOM 349 CE2 TYR A 26 8.506 14.390 7.225 1.00 0.00 C ATOM 350 CZ TYR A 26 9.302 15.472 7.536 1.00 0.00 C ATOM 351 OH TYR A 26 10.358 15.318 8.406 1.00 0.00 O ATOM 0 H TYR A 26 3.880 15.859 6.119 1.00 0.00 H new ATOM 0 HA TYR A 26 5.777 17.955 5.559 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.381 15.061 4.867 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.395 16.016 3.803 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.787 17.827 5.675 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.827 13.698 6.110 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.674 17.552 7.221 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.709 13.424 7.663 1.00 0.00 H new ATOM 0 HH TYR A 26 10.399 14.387 8.710 1.00 0.00 H new ATOM 361 N GLY A 27 3.836 16.878 3.095 1.00 0.00 N ATOM 362 CA GLY A 27 3.234 17.290 1.841 1.00 0.00 C ATOM 363 C GLY A 27 3.780 16.520 0.655 1.00 0.00 C ATOM 364 O GLY A 27 4.156 15.354 0.781 1.00 0.00 O ATOM 0 H GLY A 27 3.648 15.912 3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.155 17.149 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.409 18.355 1.690 1.00 0.00 H new ATOM 368 N LYS A 28 3.825 17.172 -0.502 1.00 0.00 N ATOM 369 CA LYS A 28 4.328 16.543 -1.716 1.00 0.00 C ATOM 370 C LYS A 28 5.850 16.449 -1.690 1.00 0.00 C ATOM 371 O LYS A 28 6.522 16.824 -2.651 1.00 0.00 O ATOM 372 CB LYS A 28 3.877 17.330 -2.949 1.00 0.00 C ATOM 373 CG LYS A 28 2.523 16.899 -3.484 1.00 0.00 C ATOM 374 CD LYS A 28 2.416 17.129 -4.983 1.00 0.00 C ATOM 375 CE LYS A 28 3.205 16.088 -5.763 1.00 0.00 C ATOM 376 NZ LYS A 28 2.651 15.886 -7.131 1.00 0.00 N ATOM 0 H LYS A 28 3.519 18.137 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 28 3.919 15.534 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.839 18.390 -2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.623 17.215 -3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.364 15.843 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.736 17.453 -2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.369 17.095 -5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.785 18.125 -5.227 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.247 16.400 -5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.192 15.142 -5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.215 15.170 -7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.665 15.564 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.686 16.783 -7.656 1.00 0.00 H new ATOM 390 N ASP A 29 6.388 15.945 -0.585 1.00 0.00 N ATOM 391 CA ASP A 29 7.832 15.799 -0.435 1.00 0.00 C ATOM 392 C ASP A 29 8.201 14.358 -0.097 1.00 0.00 C ATOM 393 O ASP A 29 8.847 14.092 0.916 1.00 0.00 O ATOM 394 CB ASP A 29 8.350 16.739 0.655 1.00 0.00 C ATOM 395 CG ASP A 29 8.758 18.092 0.106 1.00 0.00 C ATOM 396 OD1 ASP A 29 7.886 18.981 0.009 1.00 0.00 O ATOM 397 OD2 ASP A 29 9.949 18.262 -0.228 1.00 0.00 O ATOM 0 H ASP A 29 5.846 15.631 0.220 1.00 0.00 H new ATOM 0 HA ASP A 29 8.299 16.062 -1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.577 16.875 1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.204 16.279 1.152 1.00 0.00 H new ATOM 402 N PHE A 30 7.783 13.429 -0.952 1.00 0.00 N ATOM 403 CA PHE A 30 8.067 12.015 -0.744 1.00 0.00 C ATOM 404 C PHE A 30 9.434 11.824 -0.094 1.00 0.00 C ATOM 405 O PHE A 30 9.639 10.895 0.685 1.00 0.00 O ATOM 406 CB PHE A 30 8.013 11.260 -2.074 1.00 0.00 C ATOM 407 CG PHE A 30 6.970 11.786 -3.020 1.00 0.00 C ATOM 408 CD1 PHE A 30 5.690 12.068 -2.571 1.00 0.00 C ATOM 409 CD2 PHE A 30 7.270 11.997 -4.356 1.00 0.00 C ATOM 410 CE1 PHE A 30 4.728 12.550 -3.438 1.00 0.00 C ATOM 411 CE2 PHE A 30 6.312 12.479 -5.228 1.00 0.00 C ATOM 412 CZ PHE A 30 5.040 12.757 -4.768 1.00 0.00 C ATOM 0 H PHE A 30 7.246 13.631 -1.795 1.00 0.00 H new ATOM 0 HA PHE A 30 7.306 11.613 -0.075 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.990 11.316 -2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.815 10.206 -1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.441 11.909 -1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.264 11.782 -4.720 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.733 12.765 -3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.558 12.638 -6.268 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.290 13.136 -5.447 1.00 0.00 H new ATOM 422 N ASN A 31 10.367 12.713 -0.421 1.00 0.00 N ATOM 423 CA ASN A 31 11.716 12.643 0.130 1.00 0.00 C ATOM 424 C ASN A 31 11.688 12.747 1.652 1.00 0.00 C ATOM 425 O ASN A 31 12.083 11.817 2.356 1.00 0.00 O ATOM 426 CB ASN A 31 12.586 13.759 -0.452 1.00 0.00 C ATOM 427 CG ASN A 31 11.856 15.088 -0.516 1.00 0.00 C ATOM 428 OD1 ASN A 31 11.872 15.863 0.440 1.00 0.00 O ATOM 429 ND2 ASN A 31 11.211 15.355 -1.645 1.00 0.00 N ATOM 0 H ASN A 31 10.214 13.490 -1.064 1.00 0.00 H new ATOM 0 HA ASN A 31 12.143 11.678 -0.143 1.00 0.00 H new ATOM 0 HB2 ASN A 31 13.484 13.870 0.155 1.00 0.00 H new ATOM 0 HB3 ASN A 31 12.911 13.478 -1.454 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.701 16.233 -1.746 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.225 14.682 -2.412 1.00 0.00 H new ATOM 436 N ASP A 32 11.217 13.884 2.153 1.00 0.00 N ATOM 437 CA ASP A 32 11.135 14.109 3.591 1.00 0.00 C ATOM 438 C ASP A 32 10.443 12.942 4.286 1.00 0.00 C ATOM 439 O ASP A 32 10.771 12.600 5.423 1.00 0.00 O ATOM 440 CB ASP A 32 10.385 15.410 3.883 1.00 0.00 C ATOM 441 CG ASP A 32 11.187 16.639 3.500 1.00 0.00 C ATOM 442 OD1 ASP A 32 12.410 16.648 3.745 1.00 0.00 O ATOM 443 OD2 ASP A 32 10.589 17.591 2.957 1.00 0.00 O ATOM 0 H ASP A 32 10.886 14.664 1.584 1.00 0.00 H new ATOM 0 HA ASP A 32 12.150 14.188 3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.441 15.412 3.339 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.141 15.455 4.944 1.00 0.00 H new ATOM 448 N ILE A 33 9.483 12.334 3.596 1.00 0.00 N ATOM 449 CA ILE A 33 8.745 11.204 4.148 1.00 0.00 C ATOM 450 C ILE A 33 9.595 9.939 4.148 1.00 0.00 C ATOM 451 O ILE A 33 10.054 9.487 5.199 1.00 0.00 O ATOM 452 CB ILE A 33 7.450 10.939 3.356 1.00 0.00 C ATOM 453 CG1 ILE A 33 6.577 12.195 3.328 1.00 0.00 C ATOM 454 CG2 ILE A 33 6.688 9.771 3.965 1.00 0.00 C ATOM 455 CD1 ILE A 33 5.580 12.212 2.190 1.00 0.00 C ATOM 0 H ILE A 33 9.198 12.605 2.655 1.00 0.00 H new ATOM 0 HA ILE A 33 8.488 11.465 5.175 1.00 0.00 H new ATOM 0 HB ILE A 33 7.714 10.681 2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.039 12.275 4.273 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.219 13.072 3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.775 9.595 3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.311 8.877 3.938 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.431 10.003 4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.995 13.131 2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.112 12.163 1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.914 11.354 2.277 1.00 0.00 H new ATOM 467 N ARG A 34 9.805 9.372 2.965 1.00 0.00 N ATOM 468 CA ARG A 34 10.602 8.159 2.829 1.00 0.00 C ATOM 469 C ARG A 34 11.879 8.252 3.658 1.00 0.00 C ATOM 470 O ARG A 34 12.468 7.235 4.024 1.00 0.00 O ATOM 471 CB ARG A 34 10.951 7.915 1.359 1.00 0.00 C ATOM 472 CG ARG A 34 11.999 6.833 1.155 1.00 0.00 C ATOM 473 CD ARG A 34 12.594 6.892 -0.243 1.00 0.00 C ATOM 474 NE ARG A 34 13.203 5.624 -0.633 1.00 0.00 N ATOM 475 CZ ARG A 34 14.161 5.518 -1.548 1.00 0.00 C ATOM 476 NH1 ARG A 34 14.617 6.601 -2.162 1.00 0.00 N ATOM 477 NH2 ARG A 34 14.666 4.328 -1.847 1.00 0.00 N ATOM 0 H ARG A 34 9.434 9.733 2.086 1.00 0.00 H new ATOM 0 HA ARG A 34 10.010 7.322 3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.045 7.638 0.820 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.311 8.846 0.920 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.792 6.948 1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.550 5.854 1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.814 7.155 -0.958 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.344 7.682 -0.285 1.00 0.00 H new ATOM 0 HE ARG A 34 12.875 4.772 -0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.233 7.517 -1.932 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.352 6.518 -2.864 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.319 3.493 -1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.401 4.248 -2.549 1.00 0.00 H new ATOM 491 N GLN A 35 12.301 9.478 3.949 1.00 0.00 N ATOM 492 CA GLN A 35 13.510 9.702 4.733 1.00 0.00 C ATOM 493 C GLN A 35 13.326 9.219 6.168 1.00 0.00 C ATOM 494 O GLN A 35 14.000 8.290 6.613 1.00 0.00 O ATOM 495 CB GLN A 35 13.879 11.187 4.726 1.00 0.00 C ATOM 496 CG GLN A 35 15.139 11.504 5.516 1.00 0.00 C ATOM 497 CD GLN A 35 16.393 11.426 4.668 1.00 0.00 C ATOM 498 OE1 GLN A 35 16.425 11.918 3.539 1.00 0.00 O ATOM 499 NE2 GLN A 35 17.436 10.806 5.208 1.00 0.00 N ATOM 0 H GLN A 35 11.825 10.330 3.654 1.00 0.00 H new ATOM 0 HA GLN A 35 14.319 9.131 4.278 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.014 11.514 3.695 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.048 11.761 5.137 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.054 12.504 5.942 1.00 0.00 H new ATOM 0 HG3 GLN A 35 15.225 10.808 6.350 1.00 0.00 H new ATOM 0 HE21 GLN A 35 17.366 10.413 6.147 1.00 0.00 H new ATOM 0 HE22 GLN A 35 18.307 10.723 4.684 1.00 0.00 H new ATOM 508 N ASP A 36 12.408 9.856 6.889 1.00 0.00 N ATOM 509 CA ASP A 36 12.134 9.490 8.274 1.00 0.00 C ATOM 510 C ASP A 36 10.852 8.672 8.375 1.00 0.00 C ATOM 511 O ASP A 36 10.867 7.527 8.829 1.00 0.00 O ATOM 512 CB ASP A 36 12.024 10.744 9.142 1.00 0.00 C ATOM 513 CG ASP A 36 13.371 11.207 9.664 1.00 0.00 C ATOM 514 OD1 ASP A 36 14.339 11.220 8.876 1.00 0.00 O ATOM 515 OD2 ASP A 36 13.456 11.555 10.861 1.00 0.00 O ATOM 0 H ASP A 36 11.842 10.628 6.537 1.00 0.00 H new ATOM 0 HA ASP A 36 12.962 8.880 8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.568 11.546 8.561 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.361 10.543 9.984 1.00 0.00 H new ATOM 520 N PHE A 37 9.740 9.266 7.952 1.00 0.00 N ATOM 521 CA PHE A 37 8.449 8.592 7.998 1.00 0.00 C ATOM 522 C PHE A 37 8.597 7.107 7.686 1.00 0.00 C ATOM 523 O PHE A 37 8.304 6.251 8.522 1.00 0.00 O ATOM 524 CB PHE A 37 7.477 9.239 7.008 1.00 0.00 C ATOM 525 CG PHE A 37 6.684 10.369 7.597 1.00 0.00 C ATOM 526 CD1 PHE A 37 7.322 11.468 8.148 1.00 0.00 C ATOM 527 CD2 PHE A 37 5.299 10.333 7.600 1.00 0.00 C ATOM 528 CE1 PHE A 37 6.596 12.511 8.691 1.00 0.00 C ATOM 529 CE2 PHE A 37 4.566 11.373 8.140 1.00 0.00 C ATOM 530 CZ PHE A 37 5.215 12.463 8.688 1.00 0.00 C ATOM 0 H PHE A 37 9.708 10.213 7.574 1.00 0.00 H new ATOM 0 HA PHE A 37 8.051 8.694 9.008 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.038 9.608 6.150 1.00 0.00 H new ATOM 0 HB3 PHE A 37 6.790 8.479 6.637 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.401 11.510 8.153 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.786 9.483 7.176 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.107 13.362 9.117 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.487 11.334 8.134 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.644 13.275 9.113 1.00 0.00 H new ATOM 540 N LEU A 38 9.055 6.806 6.475 1.00 0.00 N ATOM 541 CA LEU A 38 9.244 5.423 6.049 1.00 0.00 C ATOM 542 C LEU A 38 10.588 5.247 5.352 1.00 0.00 C ATOM 543 O LEU A 38 10.721 5.449 4.144 1.00 0.00 O ATOM 544 CB LEU A 38 8.112 4.998 5.114 1.00 0.00 C ATOM 545 CG LEU A 38 6.691 5.231 5.629 1.00 0.00 C ATOM 546 CD1 LEU A 38 5.725 5.422 4.470 1.00 0.00 C ATOM 547 CD2 LEU A 38 6.247 4.071 6.510 1.00 0.00 C ATOM 0 H LEU A 38 9.302 7.501 5.771 1.00 0.00 H new ATOM 0 HA LEU A 38 9.231 4.790 6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.227 5.532 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.228 3.936 4.895 1.00 0.00 H new ATOM 0 HG LEU A 38 6.688 6.141 6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.720 5.586 4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.032 6.285 3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.730 4.532 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.234 4.253 6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.267 3.147 5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.922 3.982 7.361 1.00 0.00 H new ATOM 559 N PRO A 39 11.611 4.859 6.128 1.00 0.00 N ATOM 560 CA PRO A 39 12.964 4.644 5.606 1.00 0.00 C ATOM 561 C PRO A 39 13.050 3.414 4.708 1.00 0.00 C ATOM 562 O PRO A 39 13.891 3.344 3.812 1.00 0.00 O ATOM 563 CB PRO A 39 13.805 4.443 6.870 1.00 0.00 C ATOM 564 CG PRO A 39 12.841 3.943 7.889 1.00 0.00 C ATOM 565 CD PRO A 39 11.526 4.600 7.574 1.00 0.00 C ATOM 0 HA PRO A 39 13.297 5.475 4.984 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.609 3.727 6.701 1.00 0.00 H new ATOM 0 HB3 PRO A 39 14.270 5.376 7.189 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.755 2.857 7.845 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.172 4.196 8.896 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.684 3.951 7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.392 5.522 8.140 1.00 0.00 H new ATOM 573 N TRP A 40 12.175 2.446 4.954 1.00 0.00 N ATOM 574 CA TRP A 40 12.152 1.218 4.167 1.00 0.00 C ATOM 575 C TRP A 40 11.381 1.418 2.867 1.00 0.00 C ATOM 576 O TRP A 40 11.804 0.960 1.806 1.00 0.00 O ATOM 577 CB TRP A 40 11.525 0.081 4.976 1.00 0.00 C ATOM 578 CG TRP A 40 10.165 0.413 5.511 1.00 0.00 C ATOM 579 CD1 TRP A 40 8.973 0.286 4.856 1.00 0.00 C ATOM 580 CD2 TRP A 40 9.858 0.927 6.811 1.00 0.00 C ATOM 581 NE1 TRP A 40 7.944 0.691 5.671 1.00 0.00 N ATOM 582 CE2 TRP A 40 8.460 1.089 6.877 1.00 0.00 C ATOM 583 CE3 TRP A 40 10.628 1.267 7.928 1.00 0.00 C ATOM 584 CZ2 TRP A 40 7.819 1.576 8.013 1.00 0.00 C ATOM 585 CZ3 TRP A 40 9.990 1.750 9.055 1.00 0.00 C ATOM 586 CH2 TRP A 40 8.597 1.900 9.091 1.00 0.00 C ATOM 0 H TRP A 40 11.472 2.487 5.692 1.00 0.00 H new ATOM 0 HA TRP A 40 13.181 0.955 3.920 1.00 0.00 H new ATOM 0 HB2 TRP A 40 11.454 -0.806 4.347 1.00 0.00 H new ATOM 0 HB3 TRP A 40 12.184 -0.170 5.808 1.00 0.00 H new ATOM 0 HD1 TRP A 40 8.857 -0.079 3.846 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.956 0.695 5.419 1.00 0.00 H new ATOM 0 HE3 TRP A 40 11.702 1.154 7.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.746 1.694 8.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 10.575 2.016 9.923 1.00 0.00 H new ATOM 0 HH2 TRP A 40 8.128 2.279 9.987 1.00 0.00 H new ATOM 597 N LYS A 41 10.248 2.107 2.956 1.00 0.00 N ATOM 598 CA LYS A 41 9.418 2.370 1.787 1.00 0.00 C ATOM 599 C LYS A 41 10.230 3.042 0.684 1.00 0.00 C ATOM 600 O LYS A 41 11.228 3.710 0.954 1.00 0.00 O ATOM 601 CB LYS A 41 8.228 3.253 2.169 1.00 0.00 C ATOM 602 CG LYS A 41 7.124 2.504 2.896 1.00 0.00 C ATOM 603 CD LYS A 41 6.132 1.889 1.923 1.00 0.00 C ATOM 604 CE LYS A 41 5.183 0.931 2.625 1.00 0.00 C ATOM 605 NZ LYS A 41 4.674 -0.121 1.701 1.00 0.00 N ATOM 0 H LYS A 41 9.884 2.494 3.827 1.00 0.00 H new ATOM 0 HA LYS A 41 9.049 1.415 1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.579 4.069 2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.816 3.704 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.561 1.720 3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.602 3.186 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.559 2.679 1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.672 1.358 1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.696 0.461 3.464 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.343 1.489 3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.290 -0.913 2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.924 0.278 1.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.452 -0.463 1.102 1.00 0.00 H new ATOM 619 N SER A 42 9.794 2.861 -0.559 1.00 0.00 N ATOM 620 CA SER A 42 10.482 3.449 -1.702 1.00 0.00 C ATOM 621 C SER A 42 9.891 4.811 -2.050 1.00 0.00 C ATOM 622 O SER A 42 8.701 5.055 -1.849 1.00 0.00 O ATOM 623 CB SER A 42 10.391 2.517 -2.912 1.00 0.00 C ATOM 624 OG SER A 42 11.305 1.440 -2.797 1.00 0.00 O ATOM 0 H SER A 42 8.968 2.312 -0.800 1.00 0.00 H new ATOM 0 HA SER A 42 11.530 3.585 -1.434 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.376 2.129 -3.000 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.598 3.078 -3.823 1.00 0.00 H new ATOM 0 HG SER A 42 11.226 0.858 -3.582 1.00 0.00 H new ATOM 630 N LEU A 43 10.731 5.698 -2.574 1.00 0.00 N ATOM 631 CA LEU A 43 10.295 7.037 -2.951 1.00 0.00 C ATOM 632 C LEU A 43 9.030 6.978 -3.803 1.00 0.00 C ATOM 633 O LEU A 43 7.979 7.488 -3.411 1.00 0.00 O ATOM 634 CB LEU A 43 11.404 7.761 -3.715 1.00 0.00 C ATOM 635 CG LEU A 43 11.341 9.289 -3.703 1.00 0.00 C ATOM 636 CD1 LEU A 43 10.086 9.777 -4.408 1.00 0.00 C ATOM 637 CD2 LEU A 43 11.391 9.814 -2.276 1.00 0.00 C ATOM 0 H LEU A 43 11.719 5.513 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 43 10.072 7.589 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.364 7.454 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.383 7.425 -4.752 1.00 0.00 H new ATOM 0 HG LEU A 43 12.208 9.673 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.059 10.866 -4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.092 9.432 -5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.206 9.383 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.345 10.903 -2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.544 9.421 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.320 9.495 -1.803 1.00 0.00 H new ATOM 649 N THR A 44 9.138 6.350 -4.970 1.00 0.00 N ATOM 650 CA THR A 44 8.004 6.223 -5.877 1.00 0.00 C ATOM 651 C THR A 44 6.874 5.426 -5.235 1.00 0.00 C ATOM 652 O THR A 44 5.734 5.887 -5.172 1.00 0.00 O ATOM 653 CB THR A 44 8.414 5.541 -7.196 1.00 0.00 C ATOM 654 OG1 THR A 44 9.758 5.898 -7.535 1.00 0.00 O ATOM 655 CG2 THR A 44 7.477 5.943 -8.326 1.00 0.00 C ATOM 0 H THR A 44 9.999 5.922 -5.309 1.00 0.00 H new ATOM 0 HA THR A 44 7.656 7.233 -6.092 1.00 0.00 H new ATOM 0 HB THR A 44 8.349 4.462 -7.057 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.011 5.459 -8.374 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.786 5.450 -9.248 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.459 5.644 -8.078 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.515 7.024 -8.463 1.00 0.00 H new ATOM 663 N SER A 45 7.197 4.226 -4.761 1.00 0.00 N ATOM 664 CA SER A 45 6.208 3.364 -4.127 1.00 0.00 C ATOM 665 C SER A 45 5.231 4.181 -3.288 1.00 0.00 C ATOM 666 O SER A 45 4.016 4.087 -3.462 1.00 0.00 O ATOM 667 CB SER A 45 6.899 2.318 -3.250 1.00 0.00 C ATOM 668 OG SER A 45 5.961 1.405 -2.710 1.00 0.00 O ATOM 0 H SER A 45 8.136 3.830 -4.805 1.00 0.00 H new ATOM 0 HA SER A 45 5.648 2.857 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.640 1.777 -3.839 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.435 2.814 -2.441 1.00 0.00 H new ATOM 0 HG SER A 45 6.428 0.746 -2.155 1.00 0.00 H new ATOM 674 N ILE A 46 5.771 4.984 -2.377 1.00 0.00 N ATOM 675 CA ILE A 46 4.949 5.819 -1.512 1.00 0.00 C ATOM 676 C ILE A 46 4.025 6.716 -2.329 1.00 0.00 C ATOM 677 O ILE A 46 2.891 6.983 -1.932 1.00 0.00 O ATOM 678 CB ILE A 46 5.814 6.698 -0.590 1.00 0.00 C ATOM 679 CG1 ILE A 46 6.633 5.824 0.364 1.00 0.00 C ATOM 680 CG2 ILE A 46 4.940 7.668 0.192 1.00 0.00 C ATOM 681 CD1 ILE A 46 7.950 6.445 0.772 1.00 0.00 C ATOM 0 H ILE A 46 6.775 5.073 -2.219 1.00 0.00 H new ATOM 0 HA ILE A 46 4.350 5.144 -0.901 1.00 0.00 H new ATOM 0 HB ILE A 46 6.503 7.276 -1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.042 5.624 1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.826 4.863 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.567 8.282 0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.397 8.309 -0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.229 7.108 0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.476 5.771 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.560 6.620 -0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.764 7.393 1.277 1.00 0.00 H new ATOM 693 N ILE A 47 4.518 7.177 -3.474 1.00 0.00 N ATOM 694 CA ILE A 47 3.735 8.041 -4.349 1.00 0.00 C ATOM 695 C ILE A 47 2.521 7.306 -4.905 1.00 0.00 C ATOM 696 O ILE A 47 1.390 7.778 -4.787 1.00 0.00 O ATOM 697 CB ILE A 47 4.583 8.569 -5.522 1.00 0.00 C ATOM 698 CG1 ILE A 47 5.787 9.354 -4.997 1.00 0.00 C ATOM 699 CG2 ILE A 47 3.734 9.440 -6.437 1.00 0.00 C ATOM 700 CD1 ILE A 47 6.902 9.496 -6.008 1.00 0.00 C ATOM 0 H ILE A 47 5.455 6.967 -3.817 1.00 0.00 H new ATOM 0 HA ILE A 47 3.400 8.883 -3.744 1.00 0.00 H new ATOM 0 HB ILE A 47 4.951 7.720 -6.098 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.458 10.346 -4.690 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.175 8.857 -4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.346 9.806 -7.261 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.906 8.852 -6.833 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.342 10.286 -5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.722 10.063 -5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.259 8.508 -6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.530 10.020 -6.889 1.00 0.00 H new ATOM 712 N GLU A 48 2.762 6.146 -5.508 1.00 0.00 N ATOM 713 CA GLU A 48 1.687 5.345 -6.081 1.00 0.00 C ATOM 714 C GLU A 48 0.419 5.455 -5.239 1.00 0.00 C ATOM 715 O GLU A 48 -0.665 5.717 -5.762 1.00 0.00 O ATOM 716 CB GLU A 48 2.116 3.880 -6.189 1.00 0.00 C ATOM 717 CG GLU A 48 2.936 3.577 -7.431 1.00 0.00 C ATOM 718 CD GLU A 48 2.946 2.101 -7.778 1.00 0.00 C ATOM 719 OE1 GLU A 48 1.854 1.497 -7.831 1.00 0.00 O ATOM 720 OE2 GLU A 48 4.045 1.549 -7.996 1.00 0.00 O ATOM 0 H GLU A 48 3.692 5.740 -5.612 1.00 0.00 H new ATOM 0 HA GLU A 48 1.474 5.728 -7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.697 3.614 -5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.227 3.249 -6.187 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.535 4.142 -8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.960 3.917 -7.278 1.00 0.00 H new ATOM 727 N TYR A 49 0.563 5.253 -3.934 1.00 0.00 N ATOM 728 CA TYR A 49 -0.570 5.327 -3.020 1.00 0.00 C ATOM 729 C TYR A 49 -1.315 6.649 -3.179 1.00 0.00 C ATOM 730 O TYR A 49 -2.543 6.678 -3.247 1.00 0.00 O ATOM 731 CB TYR A 49 -0.097 5.168 -1.574 1.00 0.00 C ATOM 732 CG TYR A 49 -1.216 4.881 -0.599 1.00 0.00 C ATOM 733 CD1 TYR A 49 -2.062 5.894 -0.165 1.00 0.00 C ATOM 734 CD2 TYR A 49 -1.427 3.597 -0.109 1.00 0.00 C ATOM 735 CE1 TYR A 49 -3.086 5.636 0.726 1.00 0.00 C ATOM 736 CE2 TYR A 49 -2.448 3.330 0.781 1.00 0.00 C ATOM 737 CZ TYR A 49 -3.275 4.353 1.196 1.00 0.00 C ATOM 738 OH TYR A 49 -4.293 4.092 2.084 1.00 0.00 O ATOM 0 H TYR A 49 1.453 5.037 -3.486 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.253 4.514 -3.265 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.632 4.359 -1.526 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.417 6.079 -1.266 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.917 6.900 -0.530 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.780 2.794 -0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.735 6.435 1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.598 2.326 1.150 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.289 3.140 2.315 1.00 0.00 H new ATOM 748 N TYR A 50 -0.561 7.741 -3.241 1.00 0.00 N ATOM 749 CA TYR A 50 -1.148 9.067 -3.391 1.00 0.00 C ATOM 750 C TYR A 50 -2.268 9.053 -4.427 1.00 0.00 C ATOM 751 O TYR A 50 -3.409 9.407 -4.129 1.00 0.00 O ATOM 752 CB TYR A 50 -0.076 10.079 -3.799 1.00 0.00 C ATOM 753 CG TYR A 50 -0.616 11.470 -4.041 1.00 0.00 C ATOM 754 CD1 TYR A 50 -1.169 12.212 -3.005 1.00 0.00 C ATOM 755 CD2 TYR A 50 -0.575 12.042 -5.307 1.00 0.00 C ATOM 756 CE1 TYR A 50 -1.666 13.483 -3.223 1.00 0.00 C ATOM 757 CE2 TYR A 50 -1.067 13.312 -5.533 1.00 0.00 C ATOM 758 CZ TYR A 50 -1.612 14.029 -4.488 1.00 0.00 C ATOM 759 OH TYR A 50 -2.105 15.294 -4.709 1.00 0.00 O ATOM 0 H TYR A 50 0.458 7.734 -3.190 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.569 9.360 -2.430 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.684 10.124 -3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.417 9.727 -4.705 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.211 11.788 -2.012 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.151 11.483 -6.128 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.094 14.046 -2.407 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.025 13.742 -6.523 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.990 15.530 -5.653 1.00 0.00 H new ATOM 769 N TYR A 51 -1.934 8.641 -5.645 1.00 0.00 N ATOM 770 CA TYR A 51 -2.911 8.581 -6.726 1.00 0.00 C ATOM 771 C TYR A 51 -4.203 7.920 -6.256 1.00 0.00 C ATOM 772 O TYR A 51 -5.292 8.468 -6.430 1.00 0.00 O ATOM 773 CB TYR A 51 -2.336 7.813 -7.918 1.00 0.00 C ATOM 774 CG TYR A 51 -1.057 8.409 -8.462 1.00 0.00 C ATOM 775 CD1 TYR A 51 -1.011 9.728 -8.898 1.00 0.00 C ATOM 776 CD2 TYR A 51 0.107 7.653 -8.538 1.00 0.00 C ATOM 777 CE1 TYR A 51 0.155 10.275 -9.396 1.00 0.00 C ATOM 778 CE2 TYR A 51 1.278 8.192 -9.034 1.00 0.00 C ATOM 779 CZ TYR A 51 1.297 9.504 -9.462 1.00 0.00 C ATOM 780 OH TYR A 51 2.461 10.046 -9.956 1.00 0.00 O ATOM 0 H TYR A 51 -0.995 8.344 -5.908 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.138 9.601 -7.035 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.148 6.782 -7.619 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.080 7.783 -8.714 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.902 10.335 -8.846 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.096 6.626 -8.203 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.173 11.301 -9.732 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.173 7.590 -9.087 1.00 0.00 H new ATOM 0 HH TYR A 51 3.171 9.371 -9.933 1.00 0.00 H new ATOM 790 N MET A 52 -4.074 6.739 -5.660 1.00 0.00 N ATOM 791 CA MET A 52 -5.232 6.005 -5.164 1.00 0.00 C ATOM 792 C MET A 52 -5.937 6.783 -4.058 1.00 0.00 C ATOM 793 O MET A 52 -7.132 6.603 -3.826 1.00 0.00 O ATOM 794 CB MET A 52 -4.805 4.631 -4.643 1.00 0.00 C ATOM 795 CG MET A 52 -5.967 3.772 -4.171 1.00 0.00 C ATOM 796 SD MET A 52 -5.491 2.613 -2.874 1.00 0.00 S ATOM 797 CE MET A 52 -5.383 3.710 -1.463 1.00 0.00 C ATOM 0 H MET A 52 -3.181 6.271 -5.509 1.00 0.00 H new ATOM 0 HA MET A 52 -5.929 5.873 -5.992 1.00 0.00 H new ATOM 0 HB2 MET A 52 -4.270 4.102 -5.432 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.105 4.766 -3.818 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.764 4.417 -3.802 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.372 3.218 -5.018 1.00 0.00 H new ATOM 0 HE1 MET A 52 -5.326 3.121 -0.548 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.491 4.330 -1.551 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.266 4.348 -1.430 1.00 0.00 H new ATOM 807 N TRP A 53 -5.191 7.647 -3.380 1.00 0.00 N ATOM 808 CA TRP A 53 -5.746 8.453 -2.299 1.00 0.00 C ATOM 809 C TRP A 53 -6.512 9.649 -2.850 1.00 0.00 C ATOM 810 O TRP A 53 -7.563 10.021 -2.326 1.00 0.00 O ATOM 811 CB TRP A 53 -4.630 8.930 -1.367 1.00 0.00 C ATOM 812 CG TRP A 53 -5.126 9.364 -0.021 1.00 0.00 C ATOM 813 CD1 TRP A 53 -5.671 8.569 0.946 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.122 10.695 0.506 1.00 0.00 C ATOM 815 NE1 TRP A 53 -6.008 9.326 2.043 1.00 0.00 N ATOM 816 CE2 TRP A 53 -5.680 10.633 1.798 1.00 0.00 C ATOM 817 CE3 TRP A 53 -4.701 11.933 0.013 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -5.827 11.762 2.599 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -4.848 13.053 0.809 1.00 0.00 C ATOM 820 CH2 TRP A 53 -5.406 12.961 2.092 1.00 0.00 C ATOM 0 H TRP A 53 -4.200 7.808 -3.560 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.440 7.831 -1.734 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.906 8.126 -1.238 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.103 9.760 -1.837 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.816 7.502 0.862 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.433 8.972 2.900 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.268 12.013 -0.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -6.259 11.694 3.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.528 14.015 0.437 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.505 13.854 2.692 1.00 0.00 H new ATOM 831 N LYS A 54 -5.981 10.250 -3.909 1.00 0.00 N ATOM 832 CA LYS A 54 -6.617 11.405 -4.533 1.00 0.00 C ATOM 833 C LYS A 54 -7.739 10.968 -5.469 1.00 0.00 C ATOM 834 O LYS A 54 -8.652 11.741 -5.764 1.00 0.00 O ATOM 835 CB LYS A 54 -5.583 12.226 -5.307 1.00 0.00 C ATOM 836 CG LYS A 54 -5.347 11.729 -6.723 1.00 0.00 C ATOM 837 CD LYS A 54 -6.291 12.391 -7.711 1.00 0.00 C ATOM 838 CE LYS A 54 -5.800 12.233 -9.142 1.00 0.00 C ATOM 839 NZ LYS A 54 -4.738 13.221 -9.477 1.00 0.00 N ATOM 0 H LYS A 54 -5.111 9.957 -4.354 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.046 12.023 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.911 13.265 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.638 12.210 -4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.316 11.930 -7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.483 10.648 -6.757 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.285 11.953 -7.616 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.385 13.450 -7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.414 11.223 -9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.638 12.354 -9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.430 13.080 -10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.113 14.185 -9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.928 13.089 -8.839 1.00 0.00 H new ATOM 853 N THR A 55 -7.666 9.725 -5.934 1.00 0.00 N ATOM 854 CA THR A 55 -8.676 9.186 -6.836 1.00 0.00 C ATOM 855 C THR A 55 -9.907 8.720 -6.068 1.00 0.00 C ATOM 856 O THR A 55 -10.821 8.125 -6.640 1.00 0.00 O ATOM 857 CB THR A 55 -8.122 8.009 -7.660 1.00 0.00 C ATOM 858 OG1 THR A 55 -7.762 6.929 -6.791 1.00 0.00 O ATOM 859 CG2 THR A 55 -6.911 8.439 -8.471 1.00 0.00 C ATOM 0 H THR A 55 -6.918 9.072 -5.701 1.00 0.00 H new ATOM 0 HA THR A 55 -8.958 9.992 -7.513 1.00 0.00 H new ATOM 0 HB THR A 55 -8.900 7.678 -8.347 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.720 6.096 -7.305 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.537 7.591 -9.045 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.195 9.241 -9.152 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.130 8.794 -7.798 1.00 0.00 H new ATOM 867 N THR A 56 -9.927 8.993 -4.766 1.00 0.00 N ATOM 868 CA THR A 56 -11.045 8.602 -3.919 1.00 0.00 C ATOM 869 C THR A 56 -12.245 9.517 -4.134 1.00 0.00 C ATOM 870 O THR A 56 -12.089 10.707 -4.405 1.00 0.00 O ATOM 871 CB THR A 56 -10.657 8.624 -2.429 1.00 0.00 C ATOM 872 OG1 THR A 56 -10.127 9.908 -2.080 1.00 0.00 O ATOM 873 CG2 THR A 56 -9.630 7.545 -2.121 1.00 0.00 C ATOM 0 H THR A 56 -9.179 9.484 -4.276 1.00 0.00 H new ATOM 0 HA THR A 56 -11.313 7.584 -4.201 1.00 0.00 H new ATOM 0 HB THR A 56 -11.553 8.429 -1.840 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.148 9.873 -2.096 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.371 7.580 -1.063 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.047 6.567 -2.360 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.734 7.714 -2.719 1.00 0.00 H new ATOM 881 N ASP A 57 -13.442 8.954 -4.011 1.00 0.00 N ATOM 882 CA ASP A 57 -14.669 9.721 -4.190 1.00 0.00 C ATOM 883 C ASP A 57 -14.521 11.126 -3.616 1.00 0.00 C ATOM 884 O ASP A 57 -14.769 12.118 -4.302 1.00 0.00 O ATOM 885 CB ASP A 57 -15.846 9.006 -3.524 1.00 0.00 C ATOM 886 CG ASP A 57 -16.212 7.713 -4.228 1.00 0.00 C ATOM 887 OD1 ASP A 57 -15.461 6.726 -4.084 1.00 0.00 O ATOM 888 OD2 ASP A 57 -17.249 7.690 -4.922 1.00 0.00 O ATOM 0 H ASP A 57 -13.589 7.970 -3.788 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.863 9.804 -5.259 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.596 8.792 -2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -16.711 9.669 -3.514 1.00 0.00 H new ATOM 893 N ARG A 58 -14.116 11.203 -2.352 1.00 0.00 N ATOM 894 CA ARG A 58 -13.937 12.487 -1.685 1.00 0.00 C ATOM 895 C ARG A 58 -13.112 13.438 -2.547 1.00 0.00 C ATOM 896 O ARG A 58 -12.323 13.005 -3.386 1.00 0.00 O ATOM 897 CB ARG A 58 -13.255 12.291 -0.329 1.00 0.00 C ATOM 898 CG ARG A 58 -13.426 13.468 0.616 1.00 0.00 C ATOM 899 CD ARG A 58 -14.826 13.508 1.208 1.00 0.00 C ATOM 900 NE ARG A 58 -14.976 12.574 2.321 1.00 0.00 N ATOM 901 CZ ARG A 58 -15.401 11.324 2.178 1.00 0.00 C ATOM 902 NH1 ARG A 58 -15.716 10.861 0.976 1.00 0.00 N ATOM 903 NH2 ARG A 58 -15.512 10.535 3.238 1.00 0.00 N ATOM 0 H ARG A 58 -13.906 10.392 -1.770 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.922 12.927 -1.529 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.657 11.395 0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -12.191 12.117 -0.489 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.692 13.401 1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.229 14.397 0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -15.046 14.519 1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.554 13.269 0.433 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.742 12.900 3.259 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.632 11.465 0.159 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.042 9.901 0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.271 10.888 4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.839 9.575 3.127 1.00 0.00 H new ATOM 917 N TYR A 59 -13.301 14.735 -2.334 1.00 0.00 N ATOM 918 CA TYR A 59 -12.578 15.748 -3.094 1.00 0.00 C ATOM 919 C TYR A 59 -13.094 15.826 -4.527 1.00 0.00 C ATOM 920 O TYR A 59 -12.328 15.702 -5.483 1.00 0.00 O ATOM 921 CB TYR A 59 -11.080 15.440 -3.095 1.00 0.00 C ATOM 922 CG TYR A 59 -10.209 16.674 -3.164 1.00 0.00 C ATOM 923 CD1 TYR A 59 -10.135 17.434 -4.325 1.00 0.00 C ATOM 924 CD2 TYR A 59 -9.459 17.082 -2.067 1.00 0.00 C ATOM 925 CE1 TYR A 59 -9.339 18.561 -4.392 1.00 0.00 C ATOM 926 CE2 TYR A 59 -8.663 18.209 -2.124 1.00 0.00 C ATOM 927 CZ TYR A 59 -8.606 18.945 -3.289 1.00 0.00 C ATOM 928 OH TYR A 59 -7.814 20.068 -3.351 1.00 0.00 O ATOM 0 H TYR A 59 -13.949 15.110 -1.641 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.744 16.713 -2.615 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.832 14.880 -2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.851 14.795 -3.944 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.710 17.138 -5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.500 16.507 -1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.291 19.138 -5.303 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.088 18.512 -1.261 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.365 20.200 -2.490 1.00 0.00 H new ATOM 938 N VAL A 60 -14.400 16.033 -4.669 1.00 0.00 N ATOM 939 CA VAL A 60 -15.020 16.129 -5.985 1.00 0.00 C ATOM 940 C VAL A 60 -16.127 17.177 -5.995 1.00 0.00 C ATOM 941 O VAL A 60 -16.832 17.359 -5.003 1.00 0.00 O ATOM 942 CB VAL A 60 -15.605 14.776 -6.430 1.00 0.00 C ATOM 943 CG1 VAL A 60 -16.711 14.335 -5.483 1.00 0.00 C ATOM 944 CG2 VAL A 60 -16.120 14.862 -7.859 1.00 0.00 C ATOM 0 H VAL A 60 -15.049 16.137 -3.889 1.00 0.00 H new ATOM 0 HA VAL A 60 -14.237 16.425 -6.683 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.812 14.029 -6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -17.112 13.377 -5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.308 14.231 -4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -17.506 15.080 -5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -16.530 13.897 -8.157 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -16.899 15.622 -7.920 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.300 15.129 -8.526 1.00 0.00 H new ATOM 954 N GLN A 61 -16.274 17.864 -7.124 1.00 0.00 N ATOM 955 CA GLN A 61 -17.295 18.895 -7.263 1.00 0.00 C ATOM 956 C GLN A 61 -18.559 18.327 -7.900 1.00 0.00 C ATOM 957 O GLN A 61 -18.497 17.381 -8.684 1.00 0.00 O ATOM 958 CB GLN A 61 -16.764 20.059 -8.102 1.00 0.00 C ATOM 959 CG GLN A 61 -15.490 20.676 -7.550 1.00 0.00 C ATOM 960 CD GLN A 61 -15.259 22.087 -8.053 1.00 0.00 C ATOM 961 OE1 GLN A 61 -14.458 22.311 -8.961 1.00 0.00 O ATOM 962 NE2 GLN A 61 -15.961 23.048 -7.465 1.00 0.00 N ATOM 0 H GLN A 61 -15.699 17.725 -7.955 1.00 0.00 H new ATOM 0 HA GLN A 61 -17.545 19.260 -6.267 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.578 19.709 -9.117 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -17.532 20.829 -8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -15.538 20.686 -6.461 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -14.640 20.052 -7.826 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -16.614 22.817 -6.716 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -15.847 24.017 -7.762 1.00 0.00 H new ATOM 971 N GLN A 62 -19.702 18.912 -7.558 1.00 0.00 N ATOM 972 CA GLN A 62 -20.980 18.462 -8.096 1.00 0.00 C ATOM 973 C GLN A 62 -21.097 18.804 -9.578 1.00 0.00 C ATOM 974 O GLN A 62 -20.191 19.397 -10.163 1.00 0.00 O ATOM 975 CB GLN A 62 -22.137 19.097 -7.322 1.00 0.00 C ATOM 976 CG GLN A 62 -22.097 20.616 -7.307 1.00 0.00 C ATOM 977 CD GLN A 62 -22.849 21.230 -8.471 1.00 0.00 C ATOM 978 OE1 GLN A 62 -23.857 20.691 -8.929 1.00 0.00 O ATOM 979 NE2 GLN A 62 -22.363 22.367 -8.957 1.00 0.00 N ATOM 0 H GLN A 62 -19.769 19.698 -6.911 1.00 0.00 H new ATOM 0 HA GLN A 62 -21.030 17.379 -7.986 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -23.080 18.771 -7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -22.121 18.731 -6.295 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -22.524 20.978 -6.372 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -21.059 20.949 -7.333 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -21.525 22.780 -8.548 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -22.828 22.827 -9.740 1.00 0.00 H new ATOM 988 N LYS A 63 -22.220 18.427 -10.180 1.00 0.00 N ATOM 989 CA LYS A 63 -22.457 18.693 -11.594 1.00 0.00 C ATOM 990 C LYS A 63 -21.500 17.889 -12.469 1.00 0.00 C ATOM 991 O LYS A 63 -20.927 18.413 -13.423 1.00 0.00 O ATOM 992 CB LYS A 63 -22.296 20.187 -11.886 1.00 0.00 C ATOM 993 CG LYS A 63 -23.027 20.644 -13.137 1.00 0.00 C ATOM 994 CD LYS A 63 -24.475 20.998 -12.839 1.00 0.00 C ATOM 995 CE LYS A 63 -24.588 22.349 -12.150 1.00 0.00 C ATOM 996 NZ LYS A 63 -24.681 23.465 -13.132 1.00 0.00 N ATOM 0 H LYS A 63 -22.981 17.936 -9.710 1.00 0.00 H new ATOM 0 HA LYS A 63 -23.477 18.389 -11.828 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -22.662 20.757 -11.032 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -21.236 20.416 -11.991 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -22.519 21.511 -13.560 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -22.992 19.856 -13.889 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -25.045 21.013 -13.768 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -24.916 20.228 -12.206 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -25.468 22.357 -11.507 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -23.722 22.502 -11.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -24.757 24.369 -12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -23.830 23.474 -13.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -25.522 23.332 -13.730 1.00 0.00 H new ATOM 1010 N ARG A 64 -21.333 16.613 -12.136 1.00 0.00 N ATOM 1011 CA ARG A 64 -20.446 15.737 -12.890 1.00 0.00 C ATOM 1012 C ARG A 64 -21.245 14.720 -13.700 1.00 0.00 C ATOM 1013 O ARG A 64 -21.059 14.590 -14.910 1.00 0.00 O ATOM 1014 CB ARG A 64 -19.485 15.011 -11.946 1.00 0.00 C ATOM 1015 CG ARG A 64 -18.660 13.933 -12.628 1.00 0.00 C ATOM 1016 CD ARG A 64 -17.681 13.286 -11.660 1.00 0.00 C ATOM 1017 NE ARG A 64 -16.719 12.427 -12.346 1.00 0.00 N ATOM 1018 CZ ARG A 64 -15.841 11.656 -11.715 1.00 0.00 C ATOM 1019 NH1 ARG A 64 -15.804 11.636 -10.390 1.00 0.00 N ATOM 1020 NH2 ARG A 64 -14.998 10.903 -12.410 1.00 0.00 N ATOM 0 H ARG A 64 -21.801 16.164 -11.349 1.00 0.00 H new ATOM 0 HA ARG A 64 -19.870 16.354 -13.580 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.812 15.740 -11.495 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.057 14.560 -11.135 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -19.323 13.172 -13.040 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -18.113 14.367 -13.465 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -17.147 14.062 -11.112 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -18.232 12.699 -10.926 1.00 0.00 H new ATOM 0 HE ARG A 64 -16.722 12.419 -13.366 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -16.451 12.214 -9.853 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -15.129 11.043 -9.908 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -15.024 10.916 -13.430 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.324 10.311 -11.925 1.00 0.00 H new ATOM 1034 N SER A 65 -22.135 14.001 -13.023 1.00 0.00 N ATOM 1035 CA SER A 65 -22.961 12.993 -13.678 1.00 0.00 C ATOM 1036 C SER A 65 -24.443 13.291 -13.480 1.00 0.00 C ATOM 1037 O SER A 65 -25.023 12.952 -12.450 1.00 0.00 O ATOM 1038 CB SER A 65 -22.631 11.602 -13.133 1.00 0.00 C ATOM 1039 OG SER A 65 -21.292 11.243 -13.425 1.00 0.00 O ATOM 0 H SER A 65 -22.303 14.098 -12.022 1.00 0.00 H new ATOM 0 HA SER A 65 -22.744 13.019 -14.746 1.00 0.00 H new ATOM 0 HB2 SER A 65 -22.788 11.584 -12.055 1.00 0.00 H new ATOM 0 HB3 SER A 65 -23.310 10.868 -13.567 1.00 0.00 H new ATOM 0 HG SER A 65 -21.106 10.351 -13.064 1.00 0.00 H new ATOM 1045 N GLY A 66 -25.050 13.930 -14.476 1.00 0.00 N ATOM 1046 CA GLY A 66 -26.459 14.265 -14.392 1.00 0.00 C ATOM 1047 C GLY A 66 -27.354 13.053 -14.561 1.00 0.00 C ATOM 1048 O GLY A 66 -26.889 11.942 -14.815 1.00 0.00 O ATOM 0 H GLY A 66 -24.591 14.221 -15.339 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -26.662 14.731 -13.428 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -26.701 15.001 -15.159 1.00 0.00 H new ATOM 1052 N PRO A 67 -28.671 13.260 -14.415 1.00 0.00 N ATOM 1053 CA PRO A 67 -29.661 12.187 -14.549 1.00 0.00 C ATOM 1054 C PRO A 67 -29.796 11.698 -15.986 1.00 0.00 C ATOM 1055 O PRO A 67 -30.146 12.466 -16.882 1.00 0.00 O ATOM 1056 CB PRO A 67 -30.963 12.845 -14.082 1.00 0.00 C ATOM 1057 CG PRO A 67 -30.762 14.300 -14.330 1.00 0.00 C ATOM 1058 CD PRO A 67 -29.297 14.558 -14.112 1.00 0.00 C ATOM 0 HA PRO A 67 -29.384 11.303 -13.974 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -31.820 12.464 -14.637 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -31.151 12.645 -13.027 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -31.059 14.568 -15.344 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -31.369 14.899 -13.651 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -28.926 15.345 -14.768 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -29.093 14.873 -13.089 1.00 0.00 H new ATOM 1066 N SER A 68 -29.518 10.415 -16.200 1.00 0.00 N ATOM 1067 CA SER A 68 -29.606 9.825 -17.530 1.00 0.00 C ATOM 1068 C SER A 68 -31.020 9.325 -17.809 1.00 0.00 C ATOM 1069 O SER A 68 -31.660 9.745 -18.773 1.00 0.00 O ATOM 1070 CB SER A 68 -28.609 8.673 -17.666 1.00 0.00 C ATOM 1071 OG SER A 68 -27.274 9.148 -17.640 1.00 0.00 O ATOM 0 H SER A 68 -29.230 9.765 -15.469 1.00 0.00 H new ATOM 0 HA SER A 68 -29.361 10.596 -18.261 1.00 0.00 H new ATOM 0 HB2 SER A 68 -28.760 7.960 -16.856 1.00 0.00 H new ATOM 0 HB3 SER A 68 -28.790 8.139 -18.599 1.00 0.00 H new ATOM 0 HG SER A 68 -26.656 8.392 -17.727 1.00 0.00 H new ATOM 1077 N SER A 69 -31.502 8.424 -16.959 1.00 0.00 N ATOM 1078 CA SER A 69 -32.838 7.862 -17.115 1.00 0.00 C ATOM 1079 C SER A 69 -33.735 8.260 -15.948 1.00 0.00 C ATOM 1080 O SER A 69 -33.264 8.779 -14.937 1.00 0.00 O ATOM 1081 CB SER A 69 -32.765 6.337 -17.220 1.00 0.00 C ATOM 1082 OG SER A 69 -32.182 5.774 -16.058 1.00 0.00 O ATOM 0 H SER A 69 -30.986 8.067 -16.154 1.00 0.00 H new ATOM 0 HA SER A 69 -33.268 8.262 -18.034 1.00 0.00 H new ATOM 0 HB2 SER A 69 -33.766 5.931 -17.362 1.00 0.00 H new ATOM 0 HB3 SER A 69 -32.180 6.057 -18.096 1.00 0.00 H new ATOM 0 HG SER A 69 -32.148 4.799 -16.149 1.00 0.00 H new ATOM 1088 N GLY A 70 -35.034 8.015 -16.096 1.00 0.00 N ATOM 1089 CA GLY A 70 -35.977 8.353 -15.047 1.00 0.00 C ATOM 1090 C GLY A 70 -36.857 9.531 -15.417 1.00 0.00 C ATOM 1091 O GLY A 70 -36.770 10.055 -16.527 1.00 0.00 O ATOM 0 H GLY A 70 -35.449 7.588 -16.924 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -36.604 7.487 -14.834 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -35.431 8.584 -14.132 1.00 0.00 H new TER 1095 GLY A 70