USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 636 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 LYS NZ :NH3+ 154:sc= 0.578 (180deg=-1.4) USER MOD Set 1.2: A 78 TYR OH : rot 15:sc= 0.12 USER MOD Set 2.1: A 13 HIS : no HD1:sc= 0.138 K(o=-0.46,f=-4!) USER MOD Set 2.2: A 21 ASN : amide:sc= -0.593 K(o=-0.46,f=-1.8!) USER MOD Single : A 8 GLN : amide:sc= -3.22! C(o=-3.2!,f=-5!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 125:sc= 0.261 USER MOD Single : A 17 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.4!) USER MOD Single : A 19 LYS NZ :NH3+ -173:sc= -0.116 (180deg=-0.229) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00768 USER MOD Single : A 24 ASN : amide:sc= -1.05 K(o=-1,f=-4.9!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=-0.0064) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -6.2! C(o=-6.2!,f=-6.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 33:sc= 0.513 USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.00161 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0835 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.34 K(o=-0.34,f=-2.3) USER MOD Single : A 84 HIS : no HD1:sc= -4.41! C(o=-4.4!,f=-10!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -29:sc= 0.144 USER MOD Single : A 89 GLN : amide:sc= -0.113 K(o=-0.11,f=-5.4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N ILE A 7 3.450 -6.376 6.135 1.00 0.00 N ATOM 18 CA ILE A 7 3.150 -4.974 5.886 1.00 0.00 C ATOM 19 C ILE A 7 1.987 -4.539 6.773 1.00 0.00 C ATOM 20 O ILE A 7 1.374 -5.366 7.449 1.00 0.00 O ATOM 21 CB ILE A 7 2.771 -4.748 4.393 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.657 -5.582 3.471 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.877 -3.281 3.995 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.963 -6.002 2.190 1.00 0.00 C ATOM 0 HA ILE A 7 4.037 -4.383 6.115 1.00 0.00 H new ATOM 0 HB ILE A 7 1.733 -5.063 4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.550 -5.009 3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.989 -6.472 4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.604 -3.168 2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.202 -2.687 4.612 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.901 -2.937 4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.649 -6.591 1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.085 -6.601 2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.656 -5.116 1.635 1.00 0.00 H new ATOM 36 N GLN A 8 1.688 -3.249 6.771 1.00 0.00 N ATOM 37 CA GLN A 8 0.607 -2.707 7.575 1.00 0.00 C ATOM 38 C GLN A 8 -0.108 -1.629 6.760 1.00 0.00 C ATOM 39 O GLN A 8 0.515 -0.692 6.255 1.00 0.00 O ATOM 40 CB GLN A 8 1.162 -2.176 8.942 1.00 0.00 C ATOM 41 CG GLN A 8 1.763 -0.749 8.932 1.00 0.00 C ATOM 42 CD GLN A 8 0.764 0.327 9.312 1.00 0.00 C ATOM 43 OE1 GLN A 8 0.050 0.868 8.472 1.00 0.00 O ATOM 44 NE2 GLN A 8 0.734 0.664 10.592 1.00 0.00 N ATOM 0 H GLN A 8 2.185 -2.553 6.215 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.120 -3.480 7.823 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.353 -2.201 9.672 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.929 -2.867 9.291 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.606 -0.713 9.623 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.156 -0.535 7.938 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.344 0.190 11.259 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.101 1.398 10.912 1.00 0.00 H new ATOM 53 N VAL A 9 -1.397 -1.834 6.543 1.00 0.00 N ATOM 54 CA VAL A 9 -2.232 -0.855 5.851 1.00 0.00 C ATOM 55 C VAL A 9 -3.255 -0.237 6.798 1.00 0.00 C ATOM 56 O VAL A 9 -3.815 -0.921 7.654 1.00 0.00 O ATOM 57 CB VAL A 9 -2.982 -1.470 4.644 1.00 0.00 C ATOM 58 CG1 VAL A 9 -2.047 -1.627 3.458 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.591 -2.810 5.020 1.00 0.00 C ATOM 0 H VAL A 9 -1.894 -2.675 6.837 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.553 -0.085 5.484 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.787 -0.792 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.592 -2.061 2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.657 -0.651 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.220 -2.283 3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.114 -3.226 4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.801 -3.494 5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.295 -2.672 5.840 1.00 0.00 H new ATOM 69 N TYR A 10 -3.511 1.049 6.595 1.00 0.00 N ATOM 70 CA TYR A 10 -4.386 1.854 7.452 1.00 0.00 C ATOM 71 C TYR A 10 -4.770 3.116 6.697 1.00 0.00 C ATOM 72 O TYR A 10 -4.193 3.404 5.648 1.00 0.00 O ATOM 73 CB TYR A 10 -3.704 2.216 8.784 1.00 0.00 C ATOM 74 CG TYR A 10 -3.649 1.058 9.775 1.00 0.00 C ATOM 75 CD1 TYR A 10 -2.436 0.472 10.120 1.00 0.00 C ATOM 76 CD2 TYR A 10 -4.811 0.521 10.329 1.00 0.00 C ATOM 77 CE1 TYR A 10 -2.378 -0.606 10.987 1.00 0.00 C ATOM 78 CE2 TYR A 10 -4.757 -0.554 11.205 1.00 0.00 C ATOM 79 CZ TYR A 10 -3.539 -1.113 11.526 1.00 0.00 C ATOM 80 OH TYR A 10 -3.485 -2.182 12.393 1.00 0.00 O ATOM 0 H TYR A 10 -3.112 1.575 5.818 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.274 1.272 7.696 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.689 2.559 8.582 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.237 3.050 9.241 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.521 0.866 9.703 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.769 0.949 10.072 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.425 -1.048 11.240 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.666 -0.951 11.633 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.392 -2.415 12.682 1.00 0.00 H new ATOM 90 N SER A 11 -5.728 3.866 7.211 1.00 0.00 N ATOM 91 CA SER A 11 -6.231 5.025 6.490 1.00 0.00 C ATOM 92 C SER A 11 -6.126 6.308 7.311 1.00 0.00 C ATOM 93 O SER A 11 -5.942 6.275 8.527 1.00 0.00 O ATOM 94 CB SER A 11 -7.688 4.795 6.104 1.00 0.00 C ATOM 95 OG SER A 11 -7.836 3.589 5.372 1.00 0.00 O ATOM 0 H SER A 11 -6.170 3.698 8.115 1.00 0.00 H new ATOM 0 HA SER A 11 -5.614 5.147 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.304 4.757 7.002 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.046 5.633 5.507 1.00 0.00 H new ATOM 0 HG SER A 11 -8.505 3.021 5.808 1.00 0.00 H new ATOM 101 N ARG A 12 -6.249 7.439 6.613 1.00 0.00 N ATOM 102 CA ARG A 12 -6.222 8.765 7.249 1.00 0.00 C ATOM 103 C ARG A 12 -7.621 9.136 7.753 1.00 0.00 C ATOM 104 O ARG A 12 -7.774 9.956 8.655 1.00 0.00 O ATOM 105 CB ARG A 12 -5.723 9.826 6.241 1.00 0.00 C ATOM 106 CG ARG A 12 -4.982 11.012 6.857 1.00 0.00 C ATOM 107 CD ARG A 12 -5.917 11.935 7.622 1.00 0.00 C ATOM 108 NE ARG A 12 -5.319 13.246 7.882 1.00 0.00 N ATOM 109 CZ ARG A 12 -5.497 13.940 9.005 1.00 0.00 C ATOM 110 NH1 ARG A 12 -6.172 13.415 10.021 1.00 0.00 N ATOM 111 NH2 ARG A 12 -4.970 15.154 9.116 1.00 0.00 N ATOM 0 H ARG A 12 -6.369 7.466 5.600 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.539 8.735 8.098 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.063 9.339 5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.579 10.204 5.682 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.206 10.645 7.529 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.482 11.575 6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.839 12.065 7.055 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.189 11.469 8.569 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.729 13.654 7.157 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.558 12.474 9.945 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.304 13.953 10.878 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.433 15.549 8.344 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.102 15.691 9.973 1.00 0.00 H new ATOM 125 N HIS A 13 -8.637 8.501 7.191 1.00 0.00 N ATOM 126 CA HIS A 13 -10.020 8.879 7.458 1.00 0.00 C ATOM 127 C HIS A 13 -10.838 7.649 7.841 1.00 0.00 C ATOM 128 O HIS A 13 -10.372 6.521 7.676 1.00 0.00 O ATOM 129 CB HIS A 13 -10.628 9.544 6.216 1.00 0.00 C ATOM 130 CG HIS A 13 -9.937 10.806 5.795 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.318 10.908 4.571 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.813 11.982 6.455 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.835 12.138 4.516 1.00 0.00 C ATOM 134 NE2 HIS A 13 -9.110 12.825 5.633 1.00 0.00 N ATOM 0 H HIS A 13 -8.532 7.719 6.545 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.038 9.586 8.288 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.602 8.835 5.388 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.677 9.766 6.413 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -10.194 12.212 7.439 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.287 12.539 3.676 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.847 13.790 5.833 1.00 0.00 H new ATOM 142 N PRO A 14 -12.054 7.848 8.383 1.00 0.00 N ATOM 143 CA PRO A 14 -12.969 6.749 8.710 1.00 0.00 C ATOM 144 C PRO A 14 -13.623 6.169 7.455 1.00 0.00 C ATOM 145 O PRO A 14 -13.998 6.910 6.546 1.00 0.00 O ATOM 146 CB PRO A 14 -14.035 7.401 9.606 1.00 0.00 C ATOM 147 CG PRO A 14 -13.534 8.787 9.889 1.00 0.00 C ATOM 148 CD PRO A 14 -12.641 9.148 8.735 1.00 0.00 C ATOM 0 HA PRO A 14 -12.450 5.920 9.191 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.003 7.429 9.106 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.169 6.837 10.529 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.362 9.491 9.977 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.987 8.819 10.831 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.201 9.580 7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.881 9.875 9.020 1.00 0.00 H new ATOM 156 N ALA A 15 -13.739 4.845 7.405 1.00 0.00 N ATOM 157 CA ALA A 15 -14.371 4.153 6.282 1.00 0.00 C ATOM 158 C ALA A 15 -15.832 4.574 6.118 1.00 0.00 C ATOM 159 O ALA A 15 -16.697 4.120 6.870 1.00 0.00 O ATOM 160 CB ALA A 15 -14.296 2.643 6.497 1.00 0.00 C ATOM 0 H ALA A 15 -13.400 4.222 8.138 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.834 4.426 5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.768 2.132 5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.252 2.337 6.567 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.814 2.381 7.419 1.00 0.00 H new ATOM 166 N GLU A 16 -16.116 5.453 5.159 1.00 0.00 N ATOM 167 CA GLU A 16 -17.501 5.838 4.883 1.00 0.00 C ATOM 168 C GLU A 16 -17.862 5.436 3.444 1.00 0.00 C ATOM 169 O GLU A 16 -17.430 6.084 2.491 1.00 0.00 O ATOM 170 CB GLU A 16 -17.694 7.357 5.101 1.00 0.00 C ATOM 171 CG GLU A 16 -19.069 7.776 5.607 1.00 0.00 C ATOM 172 CD GLU A 16 -20.187 7.407 4.656 1.00 0.00 C ATOM 173 OE1 GLU A 16 -20.898 6.419 4.922 1.00 0.00 O ATOM 174 OE2 GLU A 16 -20.364 8.111 3.643 1.00 0.00 O ATOM 0 H GLU A 16 -15.419 5.906 4.568 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.167 5.318 5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.943 7.703 5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.501 7.869 4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.252 7.307 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.078 8.854 5.768 1.00 0.00 H new ATOM 181 N ASN A 17 -18.600 4.326 3.313 1.00 0.00 N ATOM 182 CA ASN A 17 -19.090 3.808 2.025 1.00 0.00 C ATOM 183 C ASN A 17 -19.592 4.919 1.087 1.00 0.00 C ATOM 184 O ASN A 17 -20.717 5.400 1.219 1.00 0.00 O ATOM 185 CB ASN A 17 -20.209 2.759 2.313 1.00 0.00 C ATOM 186 CG ASN A 17 -19.662 1.362 2.556 1.00 0.00 C ATOM 187 OD1 ASN A 17 -18.584 1.012 2.078 1.00 0.00 O ATOM 188 ND2 ASN A 17 -20.416 0.545 3.283 1.00 0.00 N ATOM 0 H ASN A 17 -18.879 3.753 4.109 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.259 3.338 1.499 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -20.782 3.076 3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.900 2.732 1.470 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -20.107 -0.410 3.462 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.304 0.873 3.662 1.00 0.00 H new ATOM 195 N GLY A 18 -18.736 5.316 0.127 1.00 0.00 N ATOM 196 CA GLY A 18 -19.098 6.368 -0.822 1.00 0.00 C ATOM 197 C GLY A 18 -18.176 7.573 -0.777 1.00 0.00 C ATOM 198 O GLY A 18 -18.367 8.522 -1.534 1.00 0.00 O ATOM 0 H GLY A 18 -17.803 4.926 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.091 5.954 -1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.118 6.694 -0.618 1.00 0.00 H new ATOM 202 N LYS A 19 -17.192 7.566 0.111 1.00 0.00 N ATOM 203 CA LYS A 19 -16.206 8.654 0.136 1.00 0.00 C ATOM 204 C LYS A 19 -14.940 8.247 -0.586 1.00 0.00 C ATOM 205 O LYS A 19 -14.596 7.068 -0.646 1.00 0.00 O ATOM 206 CB LYS A 19 -15.795 9.035 1.563 1.00 0.00 C ATOM 207 CG LYS A 19 -16.921 9.298 2.546 1.00 0.00 C ATOM 208 CD LYS A 19 -17.614 10.644 2.371 1.00 0.00 C ATOM 209 CE LYS A 19 -18.358 10.775 1.052 1.00 0.00 C ATOM 210 NZ LYS A 19 -19.553 9.896 1.001 1.00 0.00 N ATOM 0 H LYS A 19 -17.050 6.839 0.812 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.689 9.502 -0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.173 8.235 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.172 9.928 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.664 8.506 2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.523 9.238 3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.316 10.792 3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.871 11.438 2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.663 11.812 0.909 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.687 10.524 0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.964 9.924 0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.276 8.920 1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.257 10.227 1.691 1.00 0.00 H new ATOM 224 N SER A 20 -14.257 9.230 -1.139 1.00 0.00 N ATOM 225 CA SER A 20 -12.903 9.035 -1.595 1.00 0.00 C ATOM 226 C SER A 20 -11.919 9.592 -0.575 1.00 0.00 C ATOM 227 O SER A 20 -12.118 10.674 -0.018 1.00 0.00 O ATOM 228 CB SER A 20 -12.688 9.645 -2.977 1.00 0.00 C ATOM 229 OG SER A 20 -13.524 10.773 -3.178 1.00 0.00 O ATOM 0 H SER A 20 -14.622 10.172 -1.282 1.00 0.00 H new ATOM 0 HA SER A 20 -12.722 7.964 -1.690 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.644 9.939 -3.089 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.893 8.897 -3.743 1.00 0.00 H new ATOM 0 HG SER A 20 -13.364 11.144 -4.071 1.00 0.00 H new ATOM 235 N ASN A 21 -10.863 8.838 -0.345 1.00 0.00 N ATOM 236 CA ASN A 21 -9.872 9.135 0.684 1.00 0.00 C ATOM 237 C ASN A 21 -8.553 8.561 0.183 1.00 0.00 C ATOM 238 O ASN A 21 -8.401 8.363 -1.024 1.00 0.00 O ATOM 239 CB ASN A 21 -10.252 8.495 2.032 1.00 0.00 C ATOM 240 CG ASN A 21 -11.716 8.669 2.430 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.585 7.926 1.978 1.00 0.00 O ATOM 242 ND2 ASN A 21 -11.996 9.611 3.317 1.00 0.00 N ATOM 0 H ASN A 21 -10.661 7.988 -0.872 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.807 10.210 0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.025 7.430 1.990 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.624 8.924 2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.954 9.735 3.644 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.253 10.212 3.674 1.00 0.00 H new ATOM 249 N PHE A 22 -7.618 8.249 1.070 1.00 0.00 N ATOM 250 CA PHE A 22 -6.310 7.758 0.638 1.00 0.00 C ATOM 251 C PHE A 22 -5.936 6.477 1.377 1.00 0.00 C ATOM 252 O PHE A 22 -6.029 6.418 2.605 1.00 0.00 O ATOM 253 CB PHE A 22 -5.234 8.824 0.870 1.00 0.00 C ATOM 254 CG PHE A 22 -5.356 10.017 -0.037 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.599 9.844 -1.390 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.222 11.306 0.457 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.711 10.933 -2.233 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.332 12.399 -0.383 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.578 12.212 -1.730 1.00 0.00 C ATOM 0 H PHE A 22 -7.735 8.324 2.081 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.371 7.539 -0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.286 9.160 1.906 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.252 8.372 0.730 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.702 8.846 -1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.030 11.458 1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.903 10.784 -3.285 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.226 13.398 0.013 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.666 13.064 -2.388 1.00 0.00 H new ATOM 269 N LEU A 23 -5.511 5.455 0.630 1.00 0.00 N ATOM 270 CA LEU A 23 -5.088 4.187 1.238 1.00 0.00 C ATOM 271 C LEU A 23 -3.594 4.231 1.523 1.00 0.00 C ATOM 272 O LEU A 23 -2.791 4.499 0.630 1.00 0.00 O ATOM 273 CB LEU A 23 -5.422 2.984 0.325 1.00 0.00 C ATOM 274 CG LEU A 23 -4.821 1.612 0.730 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.211 1.216 2.149 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.271 0.529 -0.242 1.00 0.00 C ATOM 0 H LEU A 23 -5.450 5.478 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.634 4.056 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.506 2.881 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.084 3.219 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.736 1.712 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.769 0.250 2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.847 1.967 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.296 1.147 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.841 -0.428 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.359 0.458 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.935 0.781 -1.248 1.00 0.00 H new ATOM 288 N ASN A 24 -3.234 3.978 2.769 1.00 0.00 N ATOM 289 CA ASN A 24 -1.833 4.025 3.181 1.00 0.00 C ATOM 290 C ASN A 24 -1.291 2.625 3.426 1.00 0.00 C ATOM 291 O ASN A 24 -1.916 1.813 4.110 1.00 0.00 O ATOM 292 CB ASN A 24 -1.635 4.908 4.436 1.00 0.00 C ATOM 293 CG ASN A 24 -0.737 4.259 5.478 1.00 0.00 C ATOM 294 OD1 ASN A 24 0.481 4.362 5.411 1.00 0.00 O ATOM 295 ND2 ASN A 24 -1.340 3.598 6.458 1.00 0.00 N ATOM 0 H ASN A 24 -3.887 3.738 3.515 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.271 4.477 2.364 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.205 5.864 4.138 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.607 5.120 4.882 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.786 3.154 7.190 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.358 3.534 6.479 1.00 0.00 H new ATOM 302 N CYS A 25 -0.149 2.339 2.826 1.00 0.00 N ATOM 303 CA CYS A 25 0.586 1.116 3.085 1.00 0.00 C ATOM 304 C CYS A 25 1.983 1.466 3.606 1.00 0.00 C ATOM 305 O CYS A 25 2.774 2.076 2.884 1.00 0.00 O ATOM 306 CB CYS A 25 0.707 0.314 1.780 1.00 0.00 C ATOM 307 SG CYS A 25 1.918 -1.040 1.841 1.00 0.00 S ATOM 0 H CYS A 25 0.296 2.952 2.143 1.00 0.00 H new ATOM 0 HA CYS A 25 0.061 0.519 3.831 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.270 -0.100 1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.981 0.994 0.974 1.00 0.00 H new ATOM 312 N TYR A 26 2.285 1.106 4.853 1.00 0.00 N ATOM 313 CA TYR A 26 3.619 1.364 5.398 1.00 0.00 C ATOM 314 C TYR A 26 4.517 0.170 5.149 1.00 0.00 C ATOM 315 O TYR A 26 4.203 -0.951 5.550 1.00 0.00 O ATOM 316 CB TYR A 26 3.614 1.664 6.912 1.00 0.00 C ATOM 317 CG TYR A 26 3.155 3.049 7.331 1.00 0.00 C ATOM 318 CD1 TYR A 26 1.905 3.237 7.908 1.00 0.00 C ATOM 319 CD2 TYR A 26 3.981 4.161 7.189 1.00 0.00 C ATOM 320 CE1 TYR A 26 1.488 4.487 8.325 1.00 0.00 C ATOM 321 CE2 TYR A 26 3.567 5.418 7.602 1.00 0.00 C ATOM 322 CZ TYR A 26 2.320 5.573 8.170 1.00 0.00 C ATOM 323 OH TYR A 26 1.909 6.818 8.589 1.00 0.00 O ATOM 0 H TYR A 26 1.640 0.644 5.494 1.00 0.00 H new ATOM 0 HA TYR A 26 3.990 2.252 4.886 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.974 0.931 7.402 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.624 1.511 7.293 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.247 2.390 8.033 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.960 4.042 6.750 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.512 4.612 8.771 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.218 6.271 7.480 1.00 0.00 H new ATOM 0 HH TYR A 26 2.615 7.474 8.408 1.00 0.00 H new ATOM 333 N VAL A 27 5.641 0.418 4.503 1.00 0.00 N ATOM 334 CA VAL A 27 6.622 -0.615 4.237 1.00 0.00 C ATOM 335 C VAL A 27 7.943 -0.184 4.880 1.00 0.00 C ATOM 336 O VAL A 27 8.598 0.739 4.396 1.00 0.00 O ATOM 337 CB VAL A 27 6.823 -0.815 2.714 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.780 -1.965 2.446 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.494 -1.061 2.012 1.00 0.00 C ATOM 0 H VAL A 27 5.898 1.339 4.149 1.00 0.00 H new ATOM 0 HA VAL A 27 6.277 -1.562 4.652 1.00 0.00 H new ATOM 0 HB VAL A 27 7.256 0.101 2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.908 -2.089 1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.745 -1.749 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.374 -2.883 2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.666 -1.198 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.026 -1.956 2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.837 -0.205 2.167 1.00 0.00 H new ATOM 349 N SER A 28 8.327 -0.819 5.979 1.00 0.00 N ATOM 350 CA SER A 28 9.480 -0.356 6.737 1.00 0.00 C ATOM 351 C SER A 28 10.558 -1.442 6.839 1.00 0.00 C ATOM 352 O SER A 28 10.257 -2.619 7.037 1.00 0.00 O ATOM 353 CB SER A 28 9.039 0.095 8.137 1.00 0.00 C ATOM 354 OG SER A 28 10.080 0.787 8.810 1.00 0.00 O ATOM 0 H SER A 28 7.865 -1.644 6.361 1.00 0.00 H new ATOM 0 HA SER A 28 9.916 0.492 6.208 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.165 0.741 8.054 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.739 -0.774 8.723 1.00 0.00 H new ATOM 0 HG SER A 28 9.769 1.063 9.697 1.00 0.00 H new ATOM 360 N GLY A 29 11.813 -1.028 6.686 1.00 0.00 N ATOM 361 CA GLY A 29 12.938 -1.948 6.793 1.00 0.00 C ATOM 362 C GLY A 29 13.507 -2.323 5.439 1.00 0.00 C ATOM 363 O GLY A 29 14.484 -3.063 5.345 1.00 0.00 O ATOM 0 H GLY A 29 12.075 -0.062 6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.721 -1.492 7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.618 -2.851 7.312 1.00 0.00 H new ATOM 367 N PHE A 30 12.887 -1.811 4.388 1.00 0.00 N ATOM 368 CA PHE A 30 13.310 -2.109 3.028 1.00 0.00 C ATOM 369 C PHE A 30 13.805 -0.853 2.320 1.00 0.00 C ATOM 370 O PHE A 30 13.212 0.218 2.453 1.00 0.00 O ATOM 371 CB PHE A 30 12.149 -2.716 2.251 1.00 0.00 C ATOM 372 CG PHE A 30 11.514 -3.907 2.944 1.00 0.00 C ATOM 373 CD1 PHE A 30 10.561 -3.728 3.943 1.00 0.00 C ATOM 374 CD2 PHE A 30 11.883 -5.205 2.608 1.00 0.00 C ATOM 375 CE1 PHE A 30 9.981 -4.816 4.579 1.00 0.00 C ATOM 376 CE2 PHE A 30 11.307 -6.295 3.245 1.00 0.00 C ATOM 377 CZ PHE A 30 10.359 -6.095 4.231 1.00 0.00 C ATOM 0 H PHE A 30 12.085 -1.184 4.451 1.00 0.00 H new ATOM 0 HA PHE A 30 14.133 -2.822 3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.389 -1.951 2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.502 -3.024 1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.269 -2.728 4.227 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.627 -5.367 1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.235 -4.661 5.345 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.599 -7.298 2.971 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.913 -6.943 4.730 1.00 0.00 H new ATOM 387 N HIS A 31 14.884 -0.993 1.562 1.00 0.00 N ATOM 388 CA HIS A 31 15.488 0.148 0.867 1.00 0.00 C ATOM 389 C HIS A 31 14.705 0.464 -0.411 1.00 0.00 C ATOM 390 O HIS A 31 14.640 -0.362 -1.319 1.00 0.00 O ATOM 391 CB HIS A 31 16.971 -0.118 0.548 1.00 0.00 C ATOM 392 CG HIS A 31 17.674 1.042 -0.092 1.00 0.00 C ATOM 393 ND1 HIS A 31 17.987 1.040 -1.428 1.00 0.00 N ATOM 394 CD2 HIS A 31 18.113 2.198 0.465 1.00 0.00 C ATOM 395 CE1 HIS A 31 18.608 2.185 -1.656 1.00 0.00 C ATOM 396 NE2 HIS A 31 18.707 2.918 -0.537 1.00 0.00 N ATOM 0 H HIS A 31 15.362 -1.881 1.410 1.00 0.00 H new ATOM 0 HA HIS A 31 15.442 1.014 1.527 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.489 -0.380 1.470 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.041 -0.982 -0.113 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.013 2.494 1.499 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.987 2.491 -2.620 1.00 0.00 H new ATOM 0 HE2 HIS A 31 19.142 3.836 -0.449 1.00 0.00 H new ATOM 404 N PRO A 32 14.129 1.686 -0.484 1.00 0.00 N ATOM 405 CA PRO A 32 13.183 2.114 -1.537 1.00 0.00 C ATOM 406 C PRO A 32 13.500 1.637 -2.954 1.00 0.00 C ATOM 407 O PRO A 32 12.592 1.250 -3.690 1.00 0.00 O ATOM 408 CB PRO A 32 13.268 3.638 -1.452 1.00 0.00 C ATOM 409 CG PRO A 32 13.499 3.905 -0.006 1.00 0.00 C ATOM 410 CD PRO A 32 14.369 2.776 0.490 1.00 0.00 C ATOM 0 HA PRO A 32 12.197 1.682 -1.363 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.081 4.027 -2.065 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.350 4.109 -1.803 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.988 4.868 0.140 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.556 3.940 0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.420 3.064 0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.095 2.475 1.501 1.00 0.00 H new ATOM 418 N SER A 33 14.764 1.645 -3.334 1.00 0.00 N ATOM 419 CA SER A 33 15.127 1.391 -4.719 1.00 0.00 C ATOM 420 C SER A 33 14.998 -0.095 -5.101 1.00 0.00 C ATOM 421 O SER A 33 14.589 -0.408 -6.222 1.00 0.00 O ATOM 422 CB SER A 33 16.541 1.926 -4.995 1.00 0.00 C ATOM 423 OG SER A 33 16.904 1.777 -6.357 1.00 0.00 O ATOM 0 H SER A 33 15.552 1.823 -2.711 1.00 0.00 H new ATOM 0 HA SER A 33 14.419 1.925 -5.353 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.591 2.979 -4.719 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.259 1.397 -4.368 1.00 0.00 H new ATOM 0 HG SER A 33 17.808 2.129 -6.495 1.00 0.00 H new ATOM 429 N ASP A 34 15.304 -1.013 -4.184 1.00 0.00 N ATOM 430 CA ASP A 34 15.341 -2.438 -4.536 1.00 0.00 C ATOM 431 C ASP A 34 14.066 -3.184 -4.155 1.00 0.00 C ATOM 432 O ASP A 34 14.077 -4.416 -4.074 1.00 0.00 O ATOM 433 CB ASP A 34 16.533 -3.150 -3.874 1.00 0.00 C ATOM 434 CG ASP A 34 17.875 -2.758 -4.458 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.427 -3.548 -5.254 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.389 -1.674 -4.119 1.00 0.00 O ATOM 0 H ASP A 34 15.526 -0.805 -3.210 1.00 0.00 H new ATOM 0 HA ASP A 34 15.442 -2.460 -5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.532 -2.927 -2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.403 -4.228 -3.975 1.00 0.00 H new ATOM 441 N ILE A 35 12.964 -2.481 -3.922 1.00 0.00 N ATOM 442 CA ILE A 35 11.741 -3.168 -3.516 1.00 0.00 C ATOM 443 C ILE A 35 10.582 -2.886 -4.472 1.00 0.00 C ATOM 444 O ILE A 35 10.641 -1.965 -5.290 1.00 0.00 O ATOM 445 CB ILE A 35 11.312 -2.809 -2.064 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.290 -1.654 -2.043 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.524 -2.471 -1.201 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.772 -1.331 -0.658 1.00 0.00 C ATOM 0 H ILE A 35 12.889 -1.467 -4.003 1.00 0.00 H new ATOM 0 HA ILE A 35 11.977 -4.232 -3.552 1.00 0.00 H new ATOM 0 HB ILE A 35 10.827 -3.690 -1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.753 -0.762 -2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.449 -1.912 -2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.195 -2.224 -0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.195 -3.329 -1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.050 -1.618 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.058 -0.510 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.280 -2.209 -0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.604 -1.041 -0.017 1.00 0.00 H new ATOM 460 N GLU A 36 9.537 -3.701 -4.356 1.00 0.00 N ATOM 461 CA GLU A 36 8.322 -3.536 -5.140 1.00 0.00 C ATOM 462 C GLU A 36 7.110 -3.526 -4.214 1.00 0.00 C ATOM 463 O GLU A 36 6.897 -4.475 -3.466 1.00 0.00 O ATOM 464 CB GLU A 36 8.171 -4.675 -6.146 1.00 0.00 C ATOM 465 CG GLU A 36 9.238 -4.693 -7.238 1.00 0.00 C ATOM 466 CD GLU A 36 9.099 -5.901 -8.138 1.00 0.00 C ATOM 467 OE1 GLU A 36 8.672 -5.738 -9.299 1.00 0.00 O ATOM 468 OE2 GLU A 36 9.396 -7.025 -7.685 1.00 0.00 O ATOM 0 H GLU A 36 9.511 -4.494 -3.715 1.00 0.00 H new ATOM 0 HA GLU A 36 8.387 -2.591 -5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.200 -5.624 -5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.189 -4.603 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.163 -3.784 -7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.227 -4.693 -6.780 1.00 0.00 H new ATOM 475 N VAL A 37 6.341 -2.452 -4.251 1.00 0.00 N ATOM 476 CA VAL A 37 5.123 -2.344 -3.451 1.00 0.00 C ATOM 477 C VAL A 37 3.992 -1.752 -4.292 1.00 0.00 C ATOM 478 O VAL A 37 4.194 -0.765 -5.005 1.00 0.00 O ATOM 479 CB VAL A 37 5.346 -1.506 -2.151 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.555 -0.597 -2.297 1.00 0.00 C ATOM 481 CG2 VAL A 37 4.111 -0.686 -1.792 1.00 0.00 C ATOM 0 H VAL A 37 6.536 -1.635 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 37 4.843 -3.349 -3.137 1.00 0.00 H new ATOM 0 HB VAL A 37 5.530 -2.209 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.691 -0.023 -1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.444 -1.200 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.398 0.085 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.304 -0.117 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.880 -0.000 -2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.265 -1.354 -1.629 1.00 0.00 H new ATOM 491 N ASP A 38 2.813 -2.366 -4.221 1.00 0.00 N ATOM 492 CA ASP A 38 1.646 -1.884 -4.955 1.00 0.00 C ATOM 493 C ASP A 38 0.423 -1.907 -4.031 1.00 0.00 C ATOM 494 O ASP A 38 0.436 -2.568 -2.991 1.00 0.00 O ATOM 495 CB ASP A 38 1.354 -2.755 -6.207 1.00 0.00 C ATOM 496 CG ASP A 38 2.469 -2.748 -7.239 1.00 0.00 C ATOM 497 OD1 ASP A 38 2.666 -1.714 -7.912 1.00 0.00 O ATOM 498 OD2 ASP A 38 3.136 -3.794 -7.405 1.00 0.00 O ATOM 0 H ASP A 38 2.641 -3.201 -3.661 1.00 0.00 H new ATOM 0 HA ASP A 38 1.855 -0.868 -5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.174 -3.782 -5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.436 -2.402 -6.677 1.00 0.00 H new ATOM 503 N LEU A 39 -0.632 -1.210 -4.430 1.00 0.00 N ATOM 504 CA LEU A 39 -1.880 -1.195 -3.673 1.00 0.00 C ATOM 505 C LEU A 39 -2.916 -2.021 -4.442 1.00 0.00 C ATOM 506 O LEU A 39 -3.076 -1.839 -5.648 1.00 0.00 O ATOM 507 CB LEU A 39 -2.371 0.247 -3.429 1.00 0.00 C ATOM 508 CG LEU A 39 -1.814 0.945 -2.164 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.317 1.202 -2.265 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.538 2.255 -1.902 1.00 0.00 C ATOM 0 H LEU A 39 -0.650 -0.644 -5.278 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.721 -1.635 -2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.111 0.851 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.459 0.234 -3.364 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.987 0.265 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.030 1.693 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.207 0.254 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.115 1.843 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.128 2.725 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.406 2.921 -2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.600 2.060 -1.755 1.00 0.00 H new ATOM 522 N LEU A 40 -3.576 -2.962 -3.765 1.00 0.00 N ATOM 523 CA LEU A 40 -4.437 -3.938 -4.439 1.00 0.00 C ATOM 524 C LEU A 40 -5.891 -3.908 -3.959 1.00 0.00 C ATOM 525 O LEU A 40 -6.216 -3.320 -2.931 1.00 0.00 O ATOM 526 CB LEU A 40 -3.929 -5.364 -4.217 1.00 0.00 C ATOM 527 CG LEU A 40 -2.486 -5.679 -4.618 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.355 -7.181 -4.797 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.059 -4.967 -5.893 1.00 0.00 C ATOM 0 H LEU A 40 -3.532 -3.070 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.403 -3.656 -5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.041 -5.598 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.584 -6.042 -4.764 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.829 -5.319 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.332 -7.425 -5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.599 -7.682 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.040 -7.516 -5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.027 -5.228 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.707 -5.273 -6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.137 -3.889 -5.751 1.00 0.00 H new ATOM 541 N LYS A 41 -6.747 -4.581 -4.735 1.00 0.00 N ATOM 542 CA LYS A 41 -8.127 -4.867 -4.370 1.00 0.00 C ATOM 543 C LYS A 41 -8.330 -6.359 -4.423 1.00 0.00 C ATOM 544 O LYS A 41 -8.444 -6.910 -5.513 1.00 0.00 O ATOM 545 CB LYS A 41 -9.121 -4.247 -5.368 1.00 0.00 C ATOM 546 CG LYS A 41 -8.660 -2.914 -5.934 1.00 0.00 C ATOM 547 CD LYS A 41 -9.627 -2.275 -6.959 1.00 0.00 C ATOM 548 CE LYS A 41 -11.046 -2.016 -6.399 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.021 -1.085 -5.243 1.00 0.00 N ATOM 0 H LYS A 41 -6.489 -4.947 -5.651 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.305 -4.452 -3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.282 -4.945 -6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.082 -4.110 -4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.514 -2.216 -5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.689 -3.053 -6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.205 -1.331 -7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.703 -2.927 -7.829 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.677 -1.602 -7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.495 -2.962 -6.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.936 -0.596 -5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.845 -1.621 -4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.264 -0.385 -5.378 1.00 0.00 H new ATOM 563 N ASN A 42 -8.405 -7.015 -3.270 1.00 0.00 N ATOM 564 CA ASN A 42 -8.608 -8.462 -3.234 1.00 0.00 C ATOM 565 C ASN A 42 -7.620 -9.158 -4.176 1.00 0.00 C ATOM 566 O ASN A 42 -7.989 -10.067 -4.923 1.00 0.00 O ATOM 567 CB ASN A 42 -10.053 -8.793 -3.669 1.00 0.00 C ATOM 568 CG ASN A 42 -11.100 -7.814 -3.182 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.806 -8.063 -2.212 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.216 -6.694 -3.892 1.00 0.00 N ATOM 0 H ASN A 42 -8.329 -6.574 -2.354 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.441 -8.817 -2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.090 -8.832 -4.758 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.309 -9.788 -3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.916 -5.998 -3.636 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.605 -6.532 -4.692 1.00 0.00 H new ATOM 577 N GLY A 43 -6.364 -8.723 -4.138 1.00 0.00 N ATOM 578 CA GLY A 43 -5.372 -9.277 -5.037 1.00 0.00 C ATOM 579 C GLY A 43 -5.437 -8.737 -6.464 1.00 0.00 C ATOM 580 O GLY A 43 -5.039 -9.431 -7.398 1.00 0.00 O ATOM 0 H GLY A 43 -6.019 -8.002 -3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.380 -9.077 -4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.491 -10.360 -5.066 1.00 0.00 H new ATOM 584 N GLU A 44 -5.950 -7.524 -6.659 1.00 0.00 N ATOM 585 CA GLU A 44 -6.018 -6.940 -8.000 1.00 0.00 C ATOM 586 C GLU A 44 -5.425 -5.530 -7.985 1.00 0.00 C ATOM 587 O GLU A 44 -5.840 -4.687 -7.198 1.00 0.00 O ATOM 588 CB GLU A 44 -7.472 -6.921 -8.499 1.00 0.00 C ATOM 589 CG GLU A 44 -7.638 -6.659 -9.997 1.00 0.00 C ATOM 590 CD GLU A 44 -7.643 -5.193 -10.363 1.00 0.00 C ATOM 591 OE1 GLU A 44 -8.532 -4.456 -9.889 1.00 0.00 O ATOM 592 OE2 GLU A 44 -6.780 -4.783 -11.162 1.00 0.00 O ATOM 0 H GLU A 44 -6.321 -6.931 -5.917 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.433 -7.552 -8.687 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.935 -7.878 -8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.019 -6.156 -7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.830 -7.155 -10.535 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.571 -7.111 -10.334 1.00 0.00 H new ATOM 599 N ARG A 45 -4.431 -5.310 -8.834 1.00 0.00 N ATOM 600 CA ARG A 45 -3.697 -4.051 -8.881 1.00 0.00 C ATOM 601 C ARG A 45 -4.590 -2.816 -9.046 1.00 0.00 C ATOM 602 O ARG A 45 -5.314 -2.692 -10.030 1.00 0.00 O ATOM 603 CB ARG A 45 -2.689 -4.086 -10.039 1.00 0.00 C ATOM 604 CG ARG A 45 -1.531 -3.128 -9.862 1.00 0.00 C ATOM 605 CD ARG A 45 -0.662 -3.024 -11.111 1.00 0.00 C ATOM 606 NE ARG A 45 -1.392 -2.465 -12.247 1.00 0.00 N ATOM 607 CZ ARG A 45 -0.878 -1.562 -13.079 1.00 0.00 C ATOM 608 NH1 ARG A 45 0.338 -1.072 -12.857 1.00 0.00 N ATOM 609 NH2 ARG A 45 -1.588 -1.135 -14.117 1.00 0.00 N ATOM 0 H ARG A 45 -4.109 -6.001 -9.512 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.198 -3.957 -7.917 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.300 -5.099 -10.140 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.207 -3.849 -10.968 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.916 -2.140 -9.608 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.917 -3.456 -9.023 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.206 -2.400 -10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.287 -4.013 -11.374 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.347 -2.784 -12.411 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.876 -1.388 -12.050 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.733 -0.380 -13.494 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.527 -1.499 -14.277 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.194 -0.443 -14.754 1.00 0.00 H new ATOM 623 N ILE A 46 -4.506 -1.888 -8.090 1.00 0.00 N ATOM 624 CA ILE A 46 -5.093 -0.584 -8.229 1.00 0.00 C ATOM 625 C ILE A 46 -4.129 0.240 -9.041 1.00 0.00 C ATOM 626 O ILE A 46 -2.923 0.236 -8.796 1.00 0.00 O ATOM 627 CB ILE A 46 -5.288 0.117 -6.875 1.00 0.00 C ATOM 628 CG1 ILE A 46 -5.934 -0.814 -5.867 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.137 1.384 -7.021 1.00 0.00 C ATOM 630 CD1 ILE A 46 -5.954 -0.230 -4.489 1.00 0.00 C ATOM 0 H ILE A 46 -4.025 -2.035 -7.202 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.073 -0.686 -8.695 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.299 0.399 -6.514 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.954 -1.035 -6.181 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.394 -1.760 -5.851 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.256 1.856 -6.046 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.642 2.077 -7.702 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.117 1.121 -7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.426 -0.933 -3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.933 -0.034 -4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.518 0.703 -4.497 1.00 0.00 H new ATOM 642 N GLU A 47 -4.656 0.926 -9.991 1.00 0.00 N ATOM 643 CA GLU A 47 -3.851 1.604 -10.974 1.00 0.00 C ATOM 644 C GLU A 47 -3.546 3.056 -10.612 1.00 0.00 C ATOM 645 O GLU A 47 -2.539 3.596 -11.072 1.00 0.00 O ATOM 646 CB GLU A 47 -4.527 1.551 -12.331 1.00 0.00 C ATOM 647 CG GLU A 47 -4.817 0.146 -12.818 1.00 0.00 C ATOM 648 CD GLU A 47 -5.106 0.122 -14.298 1.00 0.00 C ATOM 649 OE1 GLU A 47 -4.505 -0.713 -15.007 1.00 0.00 O ATOM 650 OE2 GLU A 47 -5.910 0.955 -14.765 1.00 0.00 O ATOM 0 H GLU A 47 -5.661 1.041 -10.119 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.897 1.077 -11.004 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.462 2.108 -12.282 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.894 2.055 -13.061 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.964 -0.498 -12.602 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.669 -0.260 -12.273 1.00 0.00 H new ATOM 657 N LYS A 48 -4.382 3.717 -9.799 1.00 0.00 N ATOM 658 CA LYS A 48 -4.158 5.135 -9.519 1.00 0.00 C ATOM 659 C LYS A 48 -3.182 5.289 -8.361 1.00 0.00 C ATOM 660 O LYS A 48 -3.443 6.034 -7.417 1.00 0.00 O ATOM 661 CB LYS A 48 -5.463 5.888 -9.170 1.00 0.00 C ATOM 662 CG LYS A 48 -6.617 5.781 -10.191 1.00 0.00 C ATOM 663 CD LYS A 48 -6.139 5.492 -11.609 1.00 0.00 C ATOM 664 CE LYS A 48 -5.348 6.638 -12.216 1.00 0.00 C ATOM 665 NZ LYS A 48 -5.040 6.375 -13.647 1.00 0.00 N ATOM 0 H LYS A 48 -5.194 3.306 -9.338 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.750 5.572 -10.430 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.823 5.519 -8.209 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.223 6.943 -9.037 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.300 4.992 -9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.184 6.712 -10.188 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.520 4.595 -11.602 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.002 5.279 -12.241 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.916 7.564 -12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.421 6.779 -11.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.499 7.173 -14.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.478 5.504 -13.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.927 6.265 -14.178 1.00 0.00 H new ATOM 679 N VAL A 49 -2.046 4.613 -8.441 1.00 0.00 N ATOM 680 CA VAL A 49 -1.050 4.712 -7.387 1.00 0.00 C ATOM 681 C VAL A 49 0.219 5.299 -7.982 1.00 0.00 C ATOM 682 O VAL A 49 0.699 4.855 -9.030 1.00 0.00 O ATOM 683 CB VAL A 49 -0.759 3.355 -6.666 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.668 2.874 -6.878 1.00 0.00 C ATOM 685 CG2 VAL A 49 -1.036 3.477 -5.180 1.00 0.00 C ATOM 0 H VAL A 49 -1.793 3.998 -9.214 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.448 5.364 -6.609 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.426 2.616 -7.110 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.815 1.929 -6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.850 2.732 -7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.364 3.616 -6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.829 2.525 -4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.397 4.250 -4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.081 3.744 -5.025 1.00 0.00 H new ATOM 695 N GLU A 50 0.719 6.333 -7.347 1.00 0.00 N ATOM 696 CA GLU A 50 1.903 7.017 -7.847 1.00 0.00 C ATOM 697 C GLU A 50 2.806 7.446 -6.701 1.00 0.00 C ATOM 698 O GLU A 50 2.439 8.311 -5.906 1.00 0.00 O ATOM 699 CB GLU A 50 1.502 8.264 -8.662 1.00 0.00 C ATOM 700 CG GLU A 50 0.775 7.998 -9.987 1.00 0.00 C ATOM 701 CD GLU A 50 0.131 9.253 -10.540 1.00 0.00 C ATOM 702 OE1 GLU A 50 0.857 10.112 -11.093 1.00 0.00 O ATOM 703 OE2 GLU A 50 -1.101 9.391 -10.423 1.00 0.00 O ATOM 0 H GLU A 50 0.332 6.722 -6.487 1.00 0.00 H new ATOM 0 HA GLU A 50 2.442 6.319 -8.487 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.863 8.890 -8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.403 8.840 -8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.482 7.601 -10.716 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.012 7.235 -9.835 1.00 0.00 H new ATOM 921 N LEU A 64 8.446 4.478 3.906 1.00 0.00 N ATOM 922 CA LEU A 64 7.939 4.242 2.551 1.00 0.00 C ATOM 923 C LEU A 64 6.420 4.260 2.561 1.00 0.00 C ATOM 924 O LEU A 64 5.793 3.510 3.309 1.00 0.00 O ATOM 925 CB LEU A 64 8.424 2.878 2.048 1.00 0.00 C ATOM 926 CG LEU A 64 9.744 2.877 1.280 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.402 1.511 1.367 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.502 3.254 -0.178 1.00 0.00 C ATOM 0 HA LEU A 64 8.309 5.027 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.525 2.212 2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.652 2.455 1.405 1.00 0.00 H new ATOM 0 HG LEU A 64 10.411 3.614 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.342 1.524 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.597 1.267 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.739 0.760 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.449 3.250 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.823 2.532 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.060 4.249 -0.228 1.00 0.00 H new ATOM 940 N LEU A 65 5.835 5.125 1.739 1.00 0.00 N ATOM 941 CA LEU A 65 4.386 5.284 1.681 1.00 0.00 C ATOM 942 C LEU A 65 3.954 5.642 0.252 1.00 0.00 C ATOM 943 O LEU A 65 4.594 6.460 -0.404 1.00 0.00 O ATOM 944 CB LEU A 65 4.016 6.411 2.658 1.00 0.00 C ATOM 945 CG LEU A 65 2.577 6.939 2.652 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.877 6.552 3.940 1.00 0.00 C ATOM 947 CD2 LEU A 65 2.579 8.451 2.505 1.00 0.00 C ATOM 0 H LEU A 65 6.347 5.732 1.099 1.00 0.00 H new ATOM 0 HA LEU A 65 3.878 4.360 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.237 6.062 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.679 7.253 2.460 1.00 0.00 H new ATOM 0 HG LEU A 65 2.044 6.498 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.855 6.931 3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.860 5.466 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.412 6.980 4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.553 8.818 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.121 8.897 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.065 8.725 1.569 1.00 0.00 H new ATOM 959 N TYR A 66 2.885 5.017 -0.217 1.00 0.00 N ATOM 960 CA TYR A 66 2.334 5.268 -1.554 1.00 0.00 C ATOM 961 C TYR A 66 0.876 5.700 -1.396 1.00 0.00 C ATOM 962 O TYR A 66 0.278 5.444 -0.351 1.00 0.00 O ATOM 963 CB TYR A 66 2.426 3.988 -2.414 1.00 0.00 C ATOM 964 CG TYR A 66 3.857 3.605 -2.783 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.294 3.664 -4.103 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.773 3.194 -1.816 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.592 3.327 -4.446 1.00 0.00 C ATOM 968 CE2 TYR A 66 6.072 2.858 -2.157 1.00 0.00 C ATOM 969 CZ TYR A 66 6.474 2.927 -3.471 1.00 0.00 C ATOM 970 OH TYR A 66 7.764 2.592 -3.809 1.00 0.00 O ATOM 0 H TYR A 66 2.368 4.317 0.316 1.00 0.00 H new ATOM 0 HA TYR A 66 2.901 6.052 -2.055 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.965 3.162 -1.872 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.849 4.131 -3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.607 3.979 -4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.464 3.137 -0.783 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.911 3.378 -5.477 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.768 2.543 -1.394 1.00 0.00 H new ATOM 0 HH TYR A 66 8.257 2.333 -3.003 1.00 0.00 H new ATOM 980 N TYR A 67 0.290 6.344 -2.405 1.00 0.00 N ATOM 981 CA TYR A 67 -1.088 6.823 -2.271 1.00 0.00 C ATOM 982 C TYR A 67 -1.940 6.494 -3.498 1.00 0.00 C ATOM 983 O TYR A 67 -1.476 6.603 -4.635 1.00 0.00 O ATOM 984 CB TYR A 67 -1.133 8.335 -1.982 1.00 0.00 C ATOM 985 CG TYR A 67 -0.355 9.214 -2.952 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.933 9.632 -2.650 1.00 0.00 C ATOM 987 CD2 TYR A 67 -0.916 9.648 -4.150 1.00 0.00 C ATOM 988 CE1 TYR A 67 1.642 10.446 -3.508 1.00 0.00 C ATOM 989 CE2 TYR A 67 -0.208 10.461 -5.018 1.00 0.00 C ATOM 990 CZ TYR A 67 1.068 10.859 -4.688 1.00 0.00 C ATOM 991 OH TYR A 67 1.777 11.675 -5.543 1.00 0.00 O ATOM 0 H TYR A 67 0.732 6.543 -3.302 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.515 6.293 -1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.175 8.656 -1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.749 8.506 -0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.389 9.313 -1.724 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.920 9.345 -4.406 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.644 10.758 -3.255 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.654 10.781 -5.948 1.00 0.00 H new ATOM 0 HH TYR A 67 1.231 11.875 -6.332 1.00 0.00 H new ATOM 1001 N THR A 68 -3.185 6.076 -3.251 1.00 0.00 N ATOM 1002 CA THR A 68 -4.162 5.852 -4.311 1.00 0.00 C ATOM 1003 C THR A 68 -5.550 6.279 -3.824 1.00 0.00 C ATOM 1004 O THR A 68 -5.886 6.117 -2.643 1.00 0.00 O ATOM 1005 CB THR A 68 -4.204 4.373 -4.788 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.856 4.294 -6.055 1.00 0.00 O ATOM 1007 CG2 THR A 68 -4.940 3.467 -3.817 1.00 0.00 C ATOM 0 H THR A 68 -3.539 5.885 -2.314 1.00 0.00 H new ATOM 0 HA THR A 68 -3.856 6.454 -5.167 1.00 0.00 H new ATOM 0 HB THR A 68 -3.170 4.035 -4.854 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.671 5.107 -6.569 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.939 2.446 -4.200 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.442 3.492 -2.848 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.968 3.812 -3.706 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.318 6.880 -4.725 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.697 7.278 -4.450 1.00 0.00 C ATOM 1017 C GLU A 69 -8.566 6.042 -4.208 1.00 0.00 C ATOM 1018 O GLU A 69 -8.511 5.087 -4.986 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.247 8.050 -5.659 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.393 9.000 -5.327 1.00 0.00 C ATOM 1021 CD GLU A 69 -8.947 10.202 -4.524 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -7.972 10.869 -4.932 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -9.591 10.512 -3.502 1.00 0.00 O ATOM 0 H GLU A 69 -6.004 7.106 -5.669 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.716 7.907 -3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.436 8.621 -6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.588 7.335 -6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.857 9.340 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.157 8.459 -4.768 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.367 6.043 -3.144 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.238 4.905 -2.880 1.00 0.00 C ATOM 1032 C PHE A 70 -11.662 5.339 -2.594 1.00 0.00 C ATOM 1033 O PHE A 70 -11.907 6.477 -2.211 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.693 4.049 -1.723 1.00 0.00 C ATOM 1035 CG PHE A 70 -9.893 4.580 -0.317 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -11.158 4.815 0.197 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -8.802 4.798 0.503 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -11.329 5.257 1.492 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -8.972 5.246 1.806 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.241 5.471 2.297 1.00 0.00 C ATOM 0 H PHE A 70 -9.430 6.802 -2.466 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.253 4.296 -3.784 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.158 3.065 -1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.624 3.907 -1.882 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -12.024 4.649 -0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.806 4.618 0.126 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -12.324 5.435 1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.111 5.418 2.435 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.377 5.814 3.312 1.00 0.00 H new ATOM 1050 N THR A 71 -12.595 4.430 -2.820 1.00 0.00 N ATOM 1051 CA THR A 71 -13.968 4.599 -2.375 1.00 0.00 C ATOM 1052 C THR A 71 -14.538 3.245 -1.928 1.00 0.00 C ATOM 1053 O THR A 71 -14.721 2.354 -2.759 1.00 0.00 O ATOM 1054 CB THR A 71 -14.821 5.207 -3.515 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.215 6.428 -3.962 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.240 5.493 -3.056 1.00 0.00 C ATOM 0 H THR A 71 -12.423 3.556 -3.316 1.00 0.00 H new ATOM 0 HA THR A 71 -13.994 5.283 -1.526 1.00 0.00 H new ATOM 0 HB THR A 71 -14.865 4.483 -4.329 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.752 6.814 -4.685 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.810 5.919 -3.881 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.711 4.566 -2.730 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.219 6.200 -2.227 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.788 3.038 -0.607 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.264 1.747 -0.115 1.00 0.00 C ATOM 1066 C PRO A 72 -16.701 1.476 -0.491 1.00 0.00 C ATOM 1067 O PRO A 72 -17.555 2.367 -0.510 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.117 1.805 1.412 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.691 3.205 1.757 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.641 4.025 0.488 1.00 0.00 C ATOM 0 HA PRO A 72 -14.686 0.938 -0.561 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.059 1.557 1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.379 1.081 1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.390 3.649 2.466 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.713 3.194 2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.441 4.765 0.463 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.700 4.570 0.406 1.00 0.00 H new ATOM 1078 N THR A 73 -16.925 0.227 -0.809 1.00 0.00 N ATOM 1079 CA THR A 73 -18.228 -0.304 -1.114 1.00 0.00 C ATOM 1080 C THR A 73 -18.443 -1.503 -0.213 1.00 0.00 C ATOM 1081 O THR A 73 -17.481 -2.001 0.359 1.00 0.00 O ATOM 1082 CB THR A 73 -18.303 -0.731 -2.597 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.295 -1.716 -2.864 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.098 0.470 -3.508 1.00 0.00 C ATOM 0 H THR A 73 -16.182 -0.470 -0.864 1.00 0.00 H new ATOM 0 HA THR A 73 -18.998 0.449 -0.949 1.00 0.00 H new ATOM 0 HB THR A 73 -19.289 -1.153 -2.792 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.344 -1.988 -3.804 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.154 0.151 -4.549 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.873 1.211 -3.313 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.119 0.910 -3.315 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.670 -1.962 -0.061 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.937 -3.157 0.726 1.00 0.00 C ATOM 1094 C GLU A 74 -19.154 -4.382 0.195 1.00 0.00 C ATOM 1095 O GLU A 74 -19.043 -5.394 0.880 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.460 -3.415 0.763 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.852 -4.742 1.379 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.826 -4.710 2.892 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -20.754 -4.941 3.482 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -22.888 -4.449 3.496 1.00 0.00 O ATOM 0 H GLU A 74 -20.498 -1.529 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.586 -2.994 1.745 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.939 -2.612 1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.849 -3.371 -0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.852 -5.014 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.174 -5.518 1.024 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.567 -4.279 -1.005 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.942 -5.447 -1.630 1.00 0.00 C ATOM 1109 C LYS A 75 -16.404 -5.399 -1.799 1.00 0.00 C ATOM 1110 O LYS A 75 -15.779 -6.457 -1.827 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.583 -5.731 -2.995 1.00 0.00 C ATOM 1112 CG LYS A 75 -20.066 -6.139 -2.960 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.281 -7.633 -2.683 1.00 0.00 C ATOM 1114 CE LYS A 75 -19.811 -8.072 -1.299 1.00 0.00 C ATOM 1115 NZ LYS A 75 -20.290 -9.438 -0.950 1.00 0.00 N ATOM 0 H LYS A 75 -18.513 -3.419 -1.550 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.128 -6.250 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.484 -4.840 -3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.018 -6.524 -3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.577 -5.558 -2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.528 -5.884 -3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.341 -7.864 -2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.752 -8.214 -3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.722 -8.050 -1.263 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.169 -7.362 -0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.947 -9.695 -0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -21.330 -9.454 -0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.928 -10.121 -1.646 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.770 -4.231 -1.921 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.356 -4.218 -2.325 1.00 0.00 C ATOM 1131 C ASP A 76 -13.385 -4.181 -1.126 1.00 0.00 C ATOM 1132 O ASP A 76 -13.517 -3.356 -0.223 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.030 -3.056 -3.254 1.00 0.00 C ATOM 1134 CG ASP A 76 -12.616 -3.178 -3.754 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -12.387 -3.991 -4.676 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -11.729 -2.480 -3.231 1.00 0.00 O ATOM 0 H ASP A 76 -16.188 -3.316 -1.755 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.213 -5.158 -2.858 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.723 -3.047 -4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.158 -2.111 -2.726 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.402 -5.073 -1.156 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.353 -5.183 -0.131 1.00 0.00 C ATOM 1143 C GLU A 77 -10.061 -4.535 -0.650 1.00 0.00 C ATOM 1144 O GLU A 77 -9.749 -4.646 -1.834 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.122 -6.667 0.165 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.932 -6.975 1.053 1.00 0.00 C ATOM 1147 CD GLU A 77 -9.667 -8.461 1.162 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -9.202 -9.060 0.169 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -9.916 -9.036 2.238 1.00 0.00 O ATOM 0 H GLU A 77 -12.304 -5.757 -1.906 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.656 -4.670 0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.019 -7.070 0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.994 -7.193 -0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.047 -6.478 0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.108 -6.565 2.048 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.307 -3.883 0.229 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.083 -3.186 -0.178 1.00 0.00 C ATOM 1158 C TYR A 78 -6.855 -3.809 0.495 1.00 0.00 C ATOM 1159 O TYR A 78 -6.866 -4.068 1.698 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.180 -1.685 0.155 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.200 -0.916 -0.668 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -10.564 -1.040 -0.422 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -8.795 -0.052 -1.679 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -11.490 -0.322 -1.163 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -9.718 0.664 -2.420 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.060 0.525 -2.158 1.00 0.00 C ATOM 1167 OH TYR A 78 -11.977 1.244 -2.893 1.00 0.00 O ATOM 0 H TYR A 78 -9.517 -3.820 1.225 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.971 -3.293 -1.257 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.429 -1.576 1.211 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.200 -1.231 0.010 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.906 -1.705 0.357 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.742 0.062 -1.889 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.545 -0.427 -0.960 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.385 1.330 -3.202 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.846 1.227 -2.439 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.804 -4.057 -0.293 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.593 -4.729 0.191 1.00 0.00 C ATOM 1179 C ALA A 79 -3.328 -4.012 -0.293 1.00 0.00 C ATOM 1180 O ALA A 79 -3.397 -3.182 -1.191 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.583 -6.172 -0.296 1.00 0.00 C ATOM 0 H ALA A 79 -5.768 -3.799 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.600 -4.705 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.683 -6.671 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.463 -6.691 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.596 -6.188 -1.386 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.176 -4.307 0.319 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.898 -3.812 -0.198 1.00 0.00 C ATOM 1189 C CYS A 80 0.100 -4.963 -0.387 1.00 0.00 C ATOM 1190 O CYS A 80 0.274 -5.792 0.506 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.314 -2.736 0.721 1.00 0.00 C ATOM 1192 SG CYS A 80 1.379 -2.228 0.290 1.00 0.00 S ATOM 0 H CYS A 80 -2.103 -4.878 1.161 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.085 -3.360 -1.172 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.962 -1.860 0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.321 -3.107 1.746 1.00 0.00 H new ATOM 1197 N ARG A 81 0.717 -5.022 -1.569 1.00 0.00 N ATOM 1198 CA ARG A 81 1.640 -6.103 -1.949 1.00 0.00 C ATOM 1199 C ARG A 81 3.090 -5.611 -1.937 1.00 0.00 C ATOM 1200 O ARG A 81 3.393 -4.591 -2.553 1.00 0.00 O ATOM 1201 CB ARG A 81 1.278 -6.550 -3.368 1.00 0.00 C ATOM 1202 CG ARG A 81 1.842 -7.902 -3.813 1.00 0.00 C ATOM 1203 CD ARG A 81 1.153 -8.374 -5.096 1.00 0.00 C ATOM 1204 NE ARG A 81 1.319 -7.393 -6.171 1.00 0.00 N ATOM 1205 CZ ARG A 81 0.812 -7.520 -7.396 1.00 0.00 C ATOM 1206 NH1 ARG A 81 0.094 -8.587 -7.716 1.00 0.00 N ATOM 1207 NH2 ARG A 81 1.039 -6.576 -8.305 1.00 0.00 N ATOM 0 H ARG A 81 0.592 -4.318 -2.297 1.00 0.00 H new ATOM 0 HA ARG A 81 1.551 -6.925 -1.238 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.192 -6.588 -3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.623 -5.788 -4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.916 -7.818 -3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.699 -8.640 -3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.570 -9.332 -5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.092 -8.534 -4.906 1.00 0.00 H new ATOM 0 HE ARG A 81 1.861 -6.553 -5.967 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.073 -9.316 -7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.292 -8.679 -8.656 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.599 -5.759 -8.063 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.653 -6.669 -9.244 1.00 0.00 H new ATOM 1221 N VAL A 82 3.986 -6.322 -1.252 1.00 0.00 N ATOM 1222 CA VAL A 82 5.399 -5.932 -1.251 1.00 0.00 C ATOM 1223 C VAL A 82 6.321 -7.125 -1.496 1.00 0.00 C ATOM 1224 O VAL A 82 6.067 -8.236 -1.024 1.00 0.00 O ATOM 1225 CB VAL A 82 5.820 -5.215 0.058 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.170 -6.215 1.149 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.978 -4.269 -0.210 1.00 0.00 C ATOM 0 H VAL A 82 3.768 -7.153 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 82 5.506 -5.227 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 82 4.972 -4.630 0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.461 -5.680 2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.303 -6.841 1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.997 -6.842 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.264 -3.772 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.827 -4.833 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.675 -3.522 -0.944 1.00 0.00 H new ATOM 1237 N ASN A 83 7.374 -6.879 -2.267 1.00 0.00 N ATOM 1238 CA ASN A 83 8.382 -7.897 -2.550 1.00 0.00 C ATOM 1239 C ASN A 83 9.786 -7.314 -2.508 1.00 0.00 C ATOM 1240 O ASN A 83 10.009 -6.160 -2.883 1.00 0.00 O ATOM 1241 CB ASN A 83 8.127 -8.543 -3.916 1.00 0.00 C ATOM 1242 CG ASN A 83 8.915 -9.828 -4.105 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.215 -10.529 -3.140 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.245 -10.150 -5.346 1.00 0.00 N ATOM 0 H ASN A 83 7.553 -5.978 -2.710 1.00 0.00 H new ATOM 0 HA ASN A 83 8.305 -8.659 -1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.063 -8.754 -4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.393 -7.838 -4.704 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.767 -11.007 -5.529 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.977 -9.541 -6.119 1.00 0.00 H new ATOM 1251 N HIS A 84 10.719 -8.127 -2.029 1.00 0.00 N ATOM 1252 CA HIS A 84 12.128 -7.774 -1.987 1.00 0.00 C ATOM 1253 C HIS A 84 12.945 -8.945 -2.529 1.00 0.00 C ATOM 1254 O HIS A 84 12.456 -10.072 -2.553 1.00 0.00 O ATOM 1255 CB HIS A 84 12.549 -7.444 -0.546 1.00 0.00 C ATOM 1256 CG HIS A 84 13.926 -6.856 -0.423 1.00 0.00 C ATOM 1257 ND1 HIS A 84 15.048 -7.649 -0.362 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.300 -5.558 -0.358 1.00 0.00 C ATOM 1259 CE1 HIS A 84 16.074 -6.822 -0.266 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.671 -5.542 -0.260 1.00 0.00 N ATOM 0 H HIS A 84 10.516 -9.055 -1.657 1.00 0.00 H new ATOM 0 HA HIS A 84 12.306 -6.892 -2.602 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.829 -6.745 -0.121 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.501 -8.354 0.052 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.646 -4.698 -0.379 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.105 -7.136 -0.201 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.267 -4.717 -0.195 1.00 0.00 H new ATOM 1268 N VAL A 85 14.176 -8.677 -2.958 1.00 0.00 N ATOM 1269 CA VAL A 85 15.064 -9.718 -3.497 1.00 0.00 C ATOM 1270 C VAL A 85 15.238 -10.881 -2.510 1.00 0.00 C ATOM 1271 O VAL A 85 15.493 -12.019 -2.916 1.00 0.00 O ATOM 1272 CB VAL A 85 16.461 -9.148 -3.864 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.355 -10.222 -4.479 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.330 -7.968 -4.814 1.00 0.00 C ATOM 0 H VAL A 85 14.588 -7.744 -2.945 1.00 0.00 H new ATOM 0 HA VAL A 85 14.585 -10.090 -4.403 1.00 0.00 H new ATOM 0 HB VAL A 85 16.928 -8.804 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.325 -9.791 -4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.489 -11.036 -3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.889 -10.608 -5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.321 -7.585 -5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.831 -8.290 -5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.744 -7.182 -4.339 1.00 0.00 H new ATOM 1284 N THR A 86 15.092 -10.605 -1.219 1.00 0.00 N ATOM 1285 CA THR A 86 15.245 -11.656 -0.208 1.00 0.00 C ATOM 1286 C THR A 86 14.077 -12.643 -0.275 1.00 0.00 C ATOM 1287 O THR A 86 14.293 -13.855 -0.280 1.00 0.00 O ATOM 1288 CB THR A 86 15.399 -11.097 1.233 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.390 -12.169 2.183 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.293 -10.108 1.576 1.00 0.00 C ATOM 0 H THR A 86 14.872 -9.681 -0.848 1.00 0.00 H new ATOM 0 HA THR A 86 16.173 -12.178 -0.443 1.00 0.00 H new ATOM 0 HB THR A 86 16.353 -10.571 1.278 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.489 -11.805 3.088 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.436 -9.740 2.592 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.325 -9.271 0.879 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.325 -10.605 1.503 1.00 0.00 H new ATOM 1298 N LEU A 87 12.848 -12.130 -0.322 1.00 0.00 N ATOM 1299 CA LEU A 87 11.676 -12.985 -0.519 1.00 0.00 C ATOM 1300 C LEU A 87 11.683 -13.590 -1.924 1.00 0.00 C ATOM 1301 O LEU A 87 12.399 -13.129 -2.813 1.00 0.00 O ATOM 1302 CB LEU A 87 10.370 -12.196 -0.350 1.00 0.00 C ATOM 1303 CG LEU A 87 10.303 -11.231 0.833 1.00 0.00 C ATOM 1304 CD1 LEU A 87 9.056 -10.373 0.730 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.325 -11.990 2.152 1.00 0.00 C ATOM 0 H LEU A 87 12.638 -11.136 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 87 11.727 -13.771 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.194 -11.628 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.551 -12.909 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 87 11.179 -10.583 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.015 -9.688 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.083 -9.802 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.173 -11.012 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.276 -11.282 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.469 -12.663 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.246 -12.569 2.223 1.00 0.00 H new ATOM 1317 N SER A 88 10.894 -14.634 -2.108 1.00 0.00 N ATOM 1318 CA SER A 88 10.643 -15.181 -3.431 1.00 0.00 C ATOM 1319 C SER A 88 9.152 -15.059 -3.729 1.00 0.00 C ATOM 1320 O SER A 88 8.687 -15.338 -4.835 1.00 0.00 O ATOM 1321 CB SER A 88 11.093 -16.645 -3.500 1.00 0.00 C ATOM 1322 OG SER A 88 11.006 -17.151 -4.823 1.00 0.00 O ATOM 0 H SER A 88 10.413 -15.123 -1.353 1.00 0.00 H new ATOM 0 HA SER A 88 11.212 -14.626 -4.177 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.120 -16.729 -3.143 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.475 -17.249 -2.836 1.00 0.00 H new ATOM 0 HG SER A 88 10.287 -16.690 -5.303 1.00 0.00 H new ATOM 1328 N GLN A 89 8.417 -14.638 -2.710 1.00 0.00 N ATOM 1329 CA GLN A 89 6.983 -14.471 -2.798 1.00 0.00 C ATOM 1330 C GLN A 89 6.553 -13.192 -2.064 1.00 0.00 C ATOM 1331 O GLN A 89 6.795 -13.058 -0.862 1.00 0.00 O ATOM 1332 CB GLN A 89 6.253 -15.696 -2.211 1.00 0.00 C ATOM 1333 CG GLN A 89 6.581 -16.010 -0.749 1.00 0.00 C ATOM 1334 CD GLN A 89 7.956 -16.629 -0.553 1.00 0.00 C ATOM 1335 OE1 GLN A 89 8.949 -15.929 -0.335 1.00 0.00 O ATOM 1336 NE2 GLN A 89 8.023 -17.946 -0.634 1.00 0.00 N ATOM 0 H GLN A 89 8.805 -14.403 -1.797 1.00 0.00 H new ATOM 0 HA GLN A 89 6.711 -14.383 -3.850 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.178 -15.536 -2.299 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.496 -16.569 -2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.519 -15.091 -0.166 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.826 -16.690 -0.354 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.179 -18.489 -0.816 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.919 -18.419 -0.515 1.00 0.00 H new ATOM 1345 N PRO A 90 5.947 -12.212 -2.766 1.00 0.00 N ATOM 1346 CA PRO A 90 5.454 -10.993 -2.113 1.00 0.00 C ATOM 1347 C PRO A 90 4.278 -11.264 -1.189 1.00 0.00 C ATOM 1348 O PRO A 90 3.555 -12.254 -1.343 1.00 0.00 O ATOM 1349 CB PRO A 90 5.026 -10.079 -3.254 1.00 0.00 C ATOM 1350 CG PRO A 90 4.843 -10.969 -4.443 1.00 0.00 C ATOM 1351 CD PRO A 90 5.726 -12.195 -4.228 1.00 0.00 C ATOM 0 HA PRO A 90 6.227 -10.554 -1.483 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.101 -9.557 -3.011 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.781 -9.317 -3.449 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.798 -11.261 -4.548 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.122 -10.449 -5.359 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.236 -13.107 -4.570 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.665 -12.113 -4.775 1.00 0.00 H new ATOM 1359 N LYS A 91 4.085 -10.372 -0.234 1.00 0.00 N ATOM 1360 CA LYS A 91 3.036 -10.538 0.759 1.00 0.00 C ATOM 1361 C LYS A 91 1.874 -9.593 0.468 1.00 0.00 C ATOM 1362 O LYS A 91 2.063 -8.528 -0.120 1.00 0.00 O ATOM 1363 CB LYS A 91 3.563 -10.260 2.176 1.00 0.00 C ATOM 1364 CG LYS A 91 4.847 -11.004 2.561 1.00 0.00 C ATOM 1365 CD LYS A 91 4.725 -12.525 2.457 1.00 0.00 C ATOM 1366 CE LYS A 91 5.376 -13.213 3.655 1.00 0.00 C ATOM 1367 NZ LYS A 91 5.033 -14.657 3.731 1.00 0.00 N ATOM 0 H LYS A 91 4.641 -9.524 -0.124 1.00 0.00 H new ATOM 0 HA LYS A 91 2.694 -11.571 0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.741 -9.189 2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.784 -10.521 2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.659 -10.668 1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.119 -10.738 3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.673 -12.805 2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.197 -12.868 1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.458 -13.102 3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.058 -12.718 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.497 -15.081 4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.002 -14.765 3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.359 -15.137 2.868 1.00 0.00 H new ATOM 1381 N ILE A 92 0.680 -10.001 0.875 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.493 -9.135 0.799 1.00 0.00 C ATOM 1383 C ILE A 92 -0.985 -8.793 2.198 1.00 0.00 C ATOM 1384 O ILE A 92 -1.102 -9.665 3.060 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.659 -9.729 -0.061 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.694 -9.080 -1.449 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.018 -9.553 0.605 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.383 -7.607 -1.427 1.00 0.00 C ATOM 0 H ILE A 92 0.496 -10.927 1.262 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.172 -8.228 0.287 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.461 -10.797 -0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.978 -9.586 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.681 -9.229 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.793 -9.981 -0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.019 -10.060 1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.216 -8.491 0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.425 -7.211 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.114 -7.090 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.385 -7.452 -1.018 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.237 -7.514 2.414 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.800 -7.034 3.661 1.00 0.00 C ATOM 1402 C VAL A 93 -3.133 -6.364 3.370 1.00 0.00 C ATOM 1403 O VAL A 93 -3.197 -5.401 2.612 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.846 -6.042 4.370 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.538 -4.828 3.511 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.419 -5.605 5.707 1.00 0.00 C ATOM 0 H VAL A 93 -1.057 -6.780 1.729 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.944 -7.881 4.331 1.00 0.00 H new ATOM 0 HB VAL A 93 0.092 -6.571 4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.135 -4.161 4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.063 -5.149 2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.464 -4.301 3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.732 -4.908 6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.380 -5.116 5.549 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.557 -6.477 6.346 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.204 -6.875 3.938 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.516 -6.351 3.630 1.00 0.00 C ATOM 1418 C LYS A 94 -6.025 -5.502 4.781 1.00 0.00 C ATOM 1419 O LYS A 94 -5.726 -5.769 5.947 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.485 -7.484 3.326 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.973 -8.441 2.274 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.688 -9.774 2.372 1.00 0.00 C ATOM 1423 CE LYS A 94 -6.271 -10.563 3.605 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.927 -11.895 3.646 1.00 0.00 N ATOM 0 H LYS A 94 -4.193 -7.644 4.608 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.442 -5.721 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.686 -8.037 4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.434 -7.062 2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.123 -8.014 1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.900 -8.588 2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.765 -9.605 2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.479 -10.363 1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.188 -10.689 3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.529 -10.001 4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.621 -12.406 4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.960 -11.773 3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.660 -12.440 2.801 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.778 -4.475 4.447 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.263 -3.535 5.444 1.00 0.00 C ATOM 1440 C TRP A 95 -8.500 -4.089 6.142 1.00 0.00 C ATOM 1441 O TRP A 95 -9.495 -4.438 5.500 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.538 -2.164 4.794 1.00 0.00 C ATOM 1443 CG TRP A 95 -8.064 -1.100 5.725 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.555 -0.729 6.944 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.195 -0.237 5.492 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.299 0.284 7.480 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.310 0.606 6.616 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.125 -0.092 4.445 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.311 1.568 6.729 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.112 0.866 4.555 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.207 1.683 5.687 1.00 0.00 C ATOM 0 H TRP A 95 -7.070 -4.267 3.492 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.495 -3.393 6.204 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.614 -1.803 4.343 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.255 -2.302 3.985 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.690 -1.174 7.413 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.128 0.730 8.381 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -10.067 -0.721 3.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.383 2.201 7.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.824 0.987 3.752 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -11.997 2.417 5.746 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.404 -4.183 7.464 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.477 -4.717 8.299 1.00 0.00 C ATOM 1464 C ASP A 96 -10.721 -3.846 8.190 1.00 0.00 C ATOM 1465 O ASP A 96 -10.792 -2.775 8.796 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.025 -4.798 9.763 1.00 0.00 C ATOM 1467 CG ASP A 96 -7.943 -5.839 9.980 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -6.746 -5.499 9.849 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -8.280 -6.998 10.301 1.00 0.00 O ATOM 0 H ASP A 96 -7.579 -3.891 7.989 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.717 -5.720 7.947 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.655 -3.823 10.080 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.883 -5.034 10.392 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.687 -4.295 7.393 1.00 0.00 N ATOM 1475 CA ARG A 97 -12.946 -3.572 7.243 1.00 0.00 C ATOM 1476 C ARG A 97 -14.004 -4.471 6.594 1.00 0.00 C ATOM 1477 O ARG A 97 -15.194 -4.157 6.608 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.718 -2.279 6.419 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.848 -2.454 4.894 1.00 0.00 C ATOM 1480 CD ARG A 97 -14.297 -2.353 4.409 1.00 0.00 C ATOM 1481 NE ARG A 97 -14.443 -2.758 3.018 1.00 0.00 N ATOM 1482 CZ ARG A 97 -15.597 -3.167 2.493 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.719 -3.093 3.198 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -15.630 -3.638 1.261 1.00 0.00 N ATOM 0 H ARG A 97 -11.623 -5.152 6.844 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.315 -3.286 8.228 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.434 -1.525 6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.724 -1.893 6.643 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.248 -1.695 4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.440 -3.423 4.608 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.932 -2.979 5.036 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.646 -1.327 4.525 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.621 -2.727 2.415 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.701 -2.721 4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.599 -3.408 2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.772 -3.689 0.711 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -16.513 -3.951 0.858 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.557 -5.612 6.076 1.00 0.00 N ATOM 1499 CA ASP A 98 -14.412 -6.513 5.285 1.00 0.00 C ATOM 1500 C ASP A 98 -13.715 -7.851 4.984 1.00 0.00 C ATOM 1501 O ASP A 98 -14.302 -8.731 4.361 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.771 -5.855 3.961 1.00 0.00 C ATOM 1503 CG ASP A 98 -15.813 -6.627 3.170 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -16.962 -6.741 3.646 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -15.493 -7.110 2.065 1.00 0.00 O ATOM 0 H ASP A 98 -12.599 -5.943 6.188 1.00 0.00 H new ATOM 0 HA ASP A 98 -15.306 -6.709 5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.142 -4.848 4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.869 -5.753 3.358 1.00 0.00 H new ATOM 1510 N MET A 99 -12.473 -8.005 5.441 1.00 0.00 N ATOM 1511 CA MET A 99 -11.659 -9.186 5.100 1.00 0.00 C ATOM 1512 C MET A 99 -12.277 -10.484 5.638 1.00 0.00 C ATOM 1513 CB MET A 99 -10.202 -9.045 5.605 1.00 0.00 C ATOM 1514 CG MET A 99 -9.990 -8.026 6.748 1.00 0.00 C ATOM 1515 SD MET A 99 -11.158 -8.180 8.118 1.00 0.00 S ATOM 1516 CE MET A 99 -10.451 -9.565 9.008 1.00 0.00 C ATOM 0 H MET A 99 -12.003 -7.332 6.047 1.00 0.00 H new ATOM 0 HA MET A 99 -11.642 -9.242 4.012 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.857 -10.022 5.944 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.571 -8.758 4.764 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.978 -8.140 7.136 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.062 -7.019 6.337 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.061 -9.784 9.884 1.00 0.00 H new ATOM 0 HE2 MET A 99 -10.423 -10.439 8.358 1.00 0.00 H new ATOM 0 HE3 MET A 99 -9.438 -9.316 9.324 1.00 0.00 H new