USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 595 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 79 TYR OH : rot -65:sc= 0.653 USER MOD Set 1.2: A 84 ASN :FLIP amide:sc= 0.586 F(o=0.72,f=1.2) USER MOD Set 2.1: A 26 TYR OH : rot -11:sc= 1.24 USER MOD Set 2.2: A 60 LYS NZ :NH3+ 174:sc= 1.1 (180deg=-0.0146) USER MOD Set 2.3: A 74 ASN : amide:sc= 1.01 K(o=3.4,f=-5.5!) USER MOD Set 3.1: A 22 LYS NZ :NH3+ 170:sc= 1.43 (180deg=0.922) USER MOD Set 3.2: A 57 TYR OH : rot 180:sc= 0.246 USER MOD Set 4.1: A 12 TYR OH : rot -39:sc= 1.13 USER MOD Set 4.2: A 14 SER OG : rot 180:sc= 0.97 USER MOD Set 5.1: A 5 GLN : amide:sc= 1.24 K(o=2.1,f=-2.7) USER MOD Set 5.2: A 18 LYS NZ :NH3+ -177:sc= 0.885 (180deg=0) USER MOD Set 6.1: A 1 LYS N :NH3+ 170:sc= 0 (180deg=-0.0289) USER MOD Set 6.2: A 47 HIS : no HE2:sc= 0.917 K(o=0.92,f=-3.7!) USER MOD Single : A 1 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0248) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.414 USER MOD Single : A 4 MET CE :methyl 138:sc= 0 (180deg=-0.0739) USER MOD Single : A 9 ASN : amide:sc= 0.624 K(o=0.62,f=-7.7!) USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= 0.18 (180deg=0.0963) USER MOD Single : A 17 SER OG : rot -43:sc= 1.27 USER MOD Single : A 23 LYS NZ :NH3+ -145:sc= 0.111 (180deg=0.0704) USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= 0.835 (180deg=0.816) USER MOD Single : A 38 ASN : amide:sc= 0.369 K(o=0.37,f=-8.4!) USER MOD Single : A 48 GLN : amide:sc= 1.04 K(o=1,f=-0.0038) USER MOD Single : A 59 ASN : amide:sc= -1.68 K(o=-1.7,f=-5.6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -70:sc= 1.17 USER MOD Single : A 75 MET CE :methyl -174:sc= 0 (180deg=-0.0484) USER MOD Single : A 82 THR OG1 : rot 102:sc= 1.73 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 8.336 1.739 -5.298 1.00 0.00 N ATOM 2 CA LYS A 1 8.168 2.917 -6.168 1.00 0.00 C ATOM 3 C LYS A 1 6.914 2.773 -7.037 1.00 0.00 C ATOM 4 O LYS A 1 6.981 2.342 -8.188 1.00 0.00 O ATOM 5 CB LYS A 1 9.434 3.196 -6.996 1.00 0.00 C ATOM 6 CG LYS A 1 10.061 1.945 -7.629 1.00 0.00 C ATOM 7 CD LYS A 1 11.092 2.315 -8.707 1.00 0.00 C ATOM 8 CE LYS A 1 12.204 3.249 -8.211 1.00 0.00 C ATOM 9 NZ LYS A 1 12.923 2.687 -7.054 1.00 0.00 N ATOM 0 H1 LYS A 1 9.271 1.773 -4.844 1.00 0.00 H new ATOM 0 H2 LYS A 1 7.596 1.739 -4.567 1.00 0.00 H new ATOM 0 H3 LYS A 1 8.260 0.873 -5.868 1.00 0.00 H new ATOM 0 HA LYS A 1 8.022 3.792 -5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 1 9.189 3.905 -7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 1 10.175 3.676 -6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 1 10.541 1.346 -6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 1 9.278 1.328 -8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 1 11.544 1.401 -9.092 1.00 0.00 H new ATOM 0 HD3 LYS A 1 10.576 2.791 -9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 1 12.910 3.434 -9.021 1.00 0.00 H new ATOM 0 HE3 LYS A 1 11.773 4.212 -7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 13.718 3.309 -6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 12.274 2.613 -6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 13.285 1.742 -7.296 1.00 0.00 H new ATOM 25 N ALA A 2 5.754 3.148 -6.497 1.00 0.00 N ATOM 26 CA ALA A 2 4.485 3.068 -7.206 1.00 0.00 C ATOM 27 C ALA A 2 4.346 4.276 -8.136 1.00 0.00 C ATOM 28 O ALA A 2 3.465 5.113 -7.948 1.00 0.00 O ATOM 29 CB ALA A 2 3.337 2.953 -6.199 1.00 0.00 C ATOM 0 H ALA A 2 5.672 3.517 -5.550 1.00 0.00 H new ATOM 0 HA ALA A 2 4.449 2.175 -7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.389 2.893 -6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.471 2.055 -5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.333 3.829 -5.550 1.00 0.00 H new ATOM 35 N THR A 3 5.231 4.326 -9.139 1.00 0.00 N ATOM 36 CA THR A 3 5.341 5.322 -10.202 1.00 0.00 C ATOM 37 C THR A 3 4.697 6.671 -9.847 1.00 0.00 C ATOM 38 O THR A 3 5.335 7.515 -9.216 1.00 0.00 O ATOM 39 CB THR A 3 4.806 4.734 -11.519 1.00 0.00 C ATOM 40 OG1 THR A 3 3.460 4.326 -11.361 1.00 0.00 O ATOM 41 CG2 THR A 3 5.636 3.532 -11.977 1.00 0.00 C ATOM 0 H THR A 3 5.948 3.607 -9.232 1.00 0.00 H new ATOM 0 HA THR A 3 6.398 5.555 -10.331 1.00 0.00 H new ATOM 0 HB THR A 3 4.875 5.516 -12.275 1.00 0.00 H new ATOM 0 HG1 THR A 3 3.129 3.955 -12.206 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.229 3.143 -12.910 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.669 3.842 -12.133 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.602 2.754 -11.214 1.00 0.00 H new ATOM 49 N MET A 4 3.442 6.858 -10.265 1.00 0.00 N ATOM 50 CA MET A 4 2.581 7.974 -9.912 1.00 0.00 C ATOM 51 C MET A 4 1.204 7.394 -9.572 1.00 0.00 C ATOM 52 O MET A 4 0.234 7.610 -10.293 1.00 0.00 O ATOM 53 CB MET A 4 2.521 8.989 -11.065 1.00 0.00 C ATOM 54 CG MET A 4 3.883 9.643 -11.339 1.00 0.00 C ATOM 55 SD MET A 4 3.946 10.778 -12.750 1.00 0.00 S ATOM 56 CE MET A 4 2.788 12.065 -12.234 1.00 0.00 C ATOM 0 H MET A 4 2.982 6.197 -10.891 1.00 0.00 H new ATOM 0 HA MET A 4 2.967 8.518 -9.050 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.173 8.489 -11.969 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.791 9.762 -10.827 1.00 0.00 H new ATOM 0 HG2 MET A 4 4.189 10.187 -10.446 1.00 0.00 H new ATOM 0 HG3 MET A 4 4.618 8.854 -11.499 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.198 13.044 -12.483 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.838 11.927 -12.750 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.629 12.001 -11.158 1.00 0.00 H new ATOM 66 N GLN A 5 1.150 6.625 -8.480 1.00 0.00 N ATOM 67 CA GLN A 5 0.032 5.787 -8.044 1.00 0.00 C ATOM 68 C GLN A 5 -1.379 6.383 -8.207 1.00 0.00 C ATOM 69 O GLN A 5 -2.326 5.610 -8.356 1.00 0.00 O ATOM 70 CB GLN A 5 0.312 5.324 -6.599 1.00 0.00 C ATOM 71 CG GLN A 5 -0.518 4.118 -6.124 1.00 0.00 C ATOM 72 CD GLN A 5 -1.635 4.500 -5.155 1.00 0.00 C ATOM 73 OE1 GLN A 5 -1.479 4.401 -3.941 1.00 0.00 O ATOM 74 NE2 GLN A 5 -2.777 4.925 -5.678 1.00 0.00 N ATOM 0 H GLN A 5 1.939 6.569 -7.836 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.006 4.940 -8.729 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.369 5.073 -6.513 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.127 6.160 -5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.952 3.620 -6.991 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.143 3.398 -5.641 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.879 4.997 -6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.554 5.180 -5.068 1.00 0.00 H new ATOM 83 N CYS A 6 -1.557 7.708 -8.133 1.00 0.00 N ATOM 84 CA CYS A 6 -2.854 8.385 -8.184 1.00 0.00 C ATOM 85 C CYS A 6 -2.639 9.904 -8.210 1.00 0.00 C ATOM 86 O CYS A 6 -1.519 10.369 -7.986 1.00 0.00 O ATOM 87 CB CYS A 6 -3.736 7.995 -6.989 1.00 0.00 C ATOM 88 SG CYS A 6 -3.260 8.759 -5.425 1.00 0.00 S ATOM 0 H CYS A 6 -0.776 8.357 -8.033 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.369 8.073 -9.092 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.768 8.266 -7.212 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -3.709 6.912 -6.872 1.00 0.00 H new ATOM 93 N GLY A 7 -3.693 10.678 -8.497 1.00 0.00 N ATOM 94 CA GLY A 7 -3.597 12.122 -8.689 1.00 0.00 C ATOM 95 C GLY A 7 -4.964 12.803 -8.591 1.00 0.00 C ATOM 96 O GLY A 7 -5.442 13.375 -9.568 1.00 0.00 O ATOM 0 H GLY A 7 -4.640 10.313 -8.602 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.927 12.544 -7.940 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.157 12.330 -9.664 1.00 0.00 H new ATOM 100 N GLU A 8 -5.588 12.731 -7.413 1.00 0.00 N ATOM 101 CA GLU A 8 -6.850 13.374 -7.065 1.00 0.00 C ATOM 102 C GLU A 8 -6.733 13.931 -5.633 1.00 0.00 C ATOM 103 O GLU A 8 -5.763 14.616 -5.320 1.00 0.00 O ATOM 104 CB GLU A 8 -8.006 12.369 -7.231 1.00 0.00 C ATOM 105 CG GLU A 8 -8.106 11.817 -8.659 1.00 0.00 C ATOM 106 CD GLU A 8 -9.337 10.931 -8.820 1.00 0.00 C ATOM 107 OE1 GLU A 8 -10.433 11.509 -8.991 1.00 0.00 O ATOM 108 OE2 GLU A 8 -9.160 9.696 -8.758 1.00 0.00 O ATOM 0 H GLU A 8 -5.203 12.193 -6.637 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.068 14.209 -7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.867 11.542 -6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.945 12.854 -6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.153 12.643 -9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.209 11.245 -8.895 1.00 0.00 H new ATOM 115 N ASN A 9 -7.695 13.626 -4.749 1.00 0.00 N ATOM 116 CA ASN A 9 -7.608 13.902 -3.314 1.00 0.00 C ATOM 117 C ASN A 9 -6.404 13.153 -2.747 1.00 0.00 C ATOM 118 O ASN A 9 -5.565 13.731 -2.054 1.00 0.00 O ATOM 119 CB ASN A 9 -8.916 13.517 -2.599 1.00 0.00 C ATOM 120 CG ASN A 9 -9.317 12.053 -2.803 1.00 0.00 C ATOM 121 OD1 ASN A 9 -9.079 11.486 -3.867 1.00 0.00 O ATOM 122 ND2 ASN A 9 -9.906 11.418 -1.798 1.00 0.00 N ATOM 0 H ASN A 9 -8.568 13.173 -5.020 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.469 14.970 -3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.808 13.710 -1.532 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.720 14.159 -2.959 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.171 10.438 -1.899 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.093 11.909 -0.924 1.00 0.00 H new ATOM 129 N GLU A 10 -6.340 11.853 -3.046 1.00 0.00 N ATOM 130 CA GLU A 10 -5.157 11.049 -2.816 1.00 0.00 C ATOM 131 C GLU A 10 -4.249 11.421 -3.990 1.00 0.00 C ATOM 132 O GLU A 10 -4.737 11.484 -5.116 1.00 0.00 O ATOM 133 CB GLU A 10 -5.507 9.549 -2.758 1.00 0.00 C ATOM 134 CG GLU A 10 -6.444 9.053 -3.875 1.00 0.00 C ATOM 135 CD GLU A 10 -6.588 7.533 -3.850 1.00 0.00 C ATOM 136 OE1 GLU A 10 -7.442 7.060 -3.070 1.00 0.00 O ATOM 137 OE2 GLU A 10 -5.853 6.875 -4.618 1.00 0.00 O ATOM 0 H GLU A 10 -7.117 11.334 -3.456 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.672 11.238 -1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.582 8.974 -2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.971 9.337 -1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.425 9.514 -3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.055 9.367 -4.844 1.00 0.00 H new ATOM 144 N LYS A 11 -2.972 11.727 -3.761 1.00 0.00 N ATOM 145 CA LYS A 11 -2.102 12.299 -4.781 1.00 0.00 C ATOM 146 C LYS A 11 -0.695 11.714 -4.677 1.00 0.00 C ATOM 147 O LYS A 11 -0.171 11.574 -3.576 1.00 0.00 O ATOM 148 CB LYS A 11 -2.082 13.824 -4.593 1.00 0.00 C ATOM 149 CG LYS A 11 -1.211 14.531 -5.638 1.00 0.00 C ATOM 150 CD LYS A 11 -1.071 16.024 -5.319 1.00 0.00 C ATOM 151 CE LYS A 11 0.034 16.660 -6.175 1.00 0.00 C ATOM 152 NZ LYS A 11 1.377 16.173 -5.799 1.00 0.00 N ATOM 0 H LYS A 11 -2.514 11.584 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.479 12.057 -5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.100 14.208 -4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.711 14.059 -3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.225 14.068 -5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.651 14.407 -6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.018 16.531 -5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.840 16.155 -4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.150 16.439 -7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.002 17.744 -6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.101 16.757 -6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.493 16.236 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.484 15.183 -6.100 1.00 0.00 H new ATOM 166 N TYR A 12 -0.077 11.410 -5.823 1.00 0.00 N ATOM 167 CA TYR A 12 1.326 11.034 -5.922 1.00 0.00 C ATOM 168 C TYR A 12 2.237 12.060 -5.231 1.00 0.00 C ATOM 169 O TYR A 12 2.113 13.263 -5.461 1.00 0.00 O ATOM 170 CB TYR A 12 1.708 10.852 -7.403 1.00 0.00 C ATOM 171 CG TYR A 12 3.175 11.100 -7.714 1.00 0.00 C ATOM 172 CD1 TYR A 12 4.175 10.337 -7.076 1.00 0.00 C ATOM 173 CD2 TYR A 12 3.535 12.272 -8.407 1.00 0.00 C ATOM 174 CE1 TYR A 12 5.499 10.811 -7.036 1.00 0.00 C ATOM 175 CE2 TYR A 12 4.876 12.687 -8.446 1.00 0.00 C ATOM 176 CZ TYR A 12 5.847 11.991 -7.711 1.00 0.00 C ATOM 177 OH TYR A 12 7.106 12.505 -7.620 1.00 0.00 O ATOM 0 H TYR A 12 -0.554 11.421 -6.724 1.00 0.00 H new ATOM 0 HA TYR A 12 1.470 10.087 -5.402 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.452 9.837 -7.708 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.103 11.529 -8.006 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.925 9.391 -6.619 1.00 0.00 H new ATOM 0 HD2 TYR A 12 2.777 12.854 -8.910 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.250 10.265 -6.484 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.160 13.542 -9.042 1.00 0.00 H new ATOM 0 HH TYR A 12 7.439 12.394 -6.705 1.00 0.00 H new ATOM 187 N ASP A 13 3.184 11.566 -4.428 1.00 0.00 N ATOM 188 CA ASP A 13 4.279 12.334 -3.862 1.00 0.00 C ATOM 189 C ASP A 13 5.477 11.399 -3.698 1.00 0.00 C ATOM 190 O ASP A 13 5.325 10.185 -3.553 1.00 0.00 O ATOM 191 CB ASP A 13 3.878 12.950 -2.519 1.00 0.00 C ATOM 192 CG ASP A 13 5.037 13.680 -1.849 1.00 0.00 C ATOM 193 OD1 ASP A 13 5.732 14.427 -2.572 1.00 0.00 O ATOM 194 OD2 ASP A 13 5.228 13.453 -0.636 1.00 0.00 O ATOM 0 H ASP A 13 3.203 10.585 -4.149 1.00 0.00 H new ATOM 0 HA ASP A 13 4.538 13.158 -4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.053 13.646 -2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.514 12.165 -1.856 1.00 0.00 H new ATOM 199 N SER A 14 6.683 11.960 -3.719 1.00 0.00 N ATOM 200 CA SER A 14 7.924 11.211 -3.654 1.00 0.00 C ATOM 201 C SER A 14 8.221 10.676 -2.247 1.00 0.00 C ATOM 202 O SER A 14 9.356 10.827 -1.802 1.00 0.00 O ATOM 203 CB SER A 14 9.052 12.117 -4.157 1.00 0.00 C ATOM 204 OG SER A 14 8.704 12.622 -5.434 1.00 0.00 O ATOM 0 H SER A 14 6.822 12.968 -3.783 1.00 0.00 H new ATOM 0 HA SER A 14 7.837 10.328 -4.287 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.215 12.938 -3.459 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.986 11.558 -4.215 1.00 0.00 H new ATOM 0 HG SER A 14 9.421 13.204 -5.762 1.00 0.00 H new ATOM 210 N CYS A 15 7.257 10.063 -1.538 1.00 0.00 N ATOM 211 CA CYS A 15 7.535 9.600 -0.176 1.00 0.00 C ATOM 212 C CYS A 15 6.602 8.538 0.419 1.00 0.00 C ATOM 213 O CYS A 15 5.925 8.778 1.415 1.00 0.00 O ATOM 214 CB CYS A 15 7.694 10.770 0.802 1.00 0.00 C ATOM 215 SG CYS A 15 8.644 10.302 2.271 1.00 0.00 S ATOM 0 H CYS A 15 6.311 9.883 -1.874 1.00 0.00 H new ATOM 0 HA CYS A 15 8.480 9.074 -0.307 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.191 11.599 0.298 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.709 11.125 1.105 1.00 0.00 H new ATOM 220 N GLY A 16 6.616 7.336 -0.156 1.00 0.00 N ATOM 221 CA GLY A 16 5.987 6.158 0.425 1.00 0.00 C ATOM 222 C GLY A 16 4.464 6.171 0.524 1.00 0.00 C ATOM 223 O GLY A 16 3.792 7.169 0.278 1.00 0.00 O ATOM 0 H GLY A 16 7.072 7.154 -1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.282 5.290 -0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.392 6.016 1.427 1.00 0.00 H new ATOM 227 N SER A 17 3.927 4.995 0.858 1.00 0.00 N ATOM 228 CA SER A 17 2.512 4.684 0.908 1.00 0.00 C ATOM 229 C SER A 17 1.806 5.466 2.018 1.00 0.00 C ATOM 230 O SER A 17 1.555 4.929 3.094 1.00 0.00 O ATOM 231 CB SER A 17 2.393 3.169 1.118 1.00 0.00 C ATOM 232 OG SER A 17 3.363 2.505 0.326 1.00 0.00 O ATOM 0 H SER A 17 4.507 4.196 1.113 1.00 0.00 H new ATOM 0 HA SER A 17 2.022 4.978 -0.020 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.538 2.924 2.170 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.393 2.831 0.847 1.00 0.00 H new ATOM 0 HG SER A 17 3.393 2.913 -0.564 1.00 0.00 H new ATOM 238 N LYS A 18 1.468 6.728 1.749 1.00 0.00 N ATOM 239 CA LYS A 18 0.813 7.615 2.697 1.00 0.00 C ATOM 240 C LYS A 18 1.611 7.731 4.002 1.00 0.00 C ATOM 241 O LYS A 18 1.006 7.863 5.067 1.00 0.00 O ATOM 242 CB LYS A 18 -0.657 7.199 2.923 1.00 0.00 C ATOM 243 CG LYS A 18 -1.452 7.068 1.612 1.00 0.00 C ATOM 244 CD LYS A 18 -1.547 5.630 1.071 1.00 0.00 C ATOM 245 CE LYS A 18 -1.461 5.626 -0.463 1.00 0.00 C ATOM 246 NZ LYS A 18 -1.837 4.324 -1.042 1.00 0.00 N ATOM 0 H LYS A 18 1.648 7.166 0.846 1.00 0.00 H new ATOM 0 HA LYS A 18 0.790 8.616 2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.682 6.247 3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.143 7.934 3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.460 7.451 1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.988 7.699 0.854 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.742 5.024 1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.485 5.176 1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.115 6.401 -0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.445 5.877 -0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.715 4.355 -2.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.231 3.579 -0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.831 4.118 -0.817 1.00 0.00 H new ATOM 260 N GLU A 19 2.951 7.718 3.888 1.00 0.00 N ATOM 261 CA GLU A 19 3.946 7.683 4.966 1.00 0.00 C ATOM 262 C GLU A 19 3.603 8.690 6.071 1.00 0.00 C ATOM 263 O GLU A 19 4.065 9.829 6.038 1.00 0.00 O ATOM 264 CB GLU A 19 5.337 7.916 4.354 1.00 0.00 C ATOM 265 CG GLU A 19 6.466 7.647 5.355 1.00 0.00 C ATOM 266 CD GLU A 19 7.840 7.844 4.721 1.00 0.00 C ATOM 267 OE1 GLU A 19 8.195 7.026 3.845 1.00 0.00 O ATOM 268 OE2 GLU A 19 8.517 8.811 5.136 1.00 0.00 O ATOM 0 H GLU A 19 3.396 7.733 2.970 1.00 0.00 H new ATOM 0 HA GLU A 19 3.942 6.706 5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.462 7.269 3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.407 8.944 3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.361 8.314 6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.382 6.628 5.733 1.00 0.00 H new ATOM 275 N CYS A 20 2.778 8.258 7.033 1.00 0.00 N ATOM 276 CA CYS A 20 2.116 9.071 8.054 1.00 0.00 C ATOM 277 C CYS A 20 1.641 10.430 7.528 1.00 0.00 C ATOM 278 O CYS A 20 1.555 11.403 8.278 1.00 0.00 O ATOM 279 CB CYS A 20 2.910 9.220 9.354 1.00 0.00 C ATOM 280 SG CYS A 20 4.335 10.328 9.337 1.00 0.00 S ATOM 0 H CYS A 20 2.542 7.270 7.122 1.00 0.00 H new ATOM 0 HA CYS A 20 1.227 8.495 8.311 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.225 9.564 10.129 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.257 8.230 9.652 1.00 0.00 H new ATOM 285 N ASP A 21 1.261 10.498 6.250 1.00 0.00 N ATOM 286 CA ASP A 21 0.841 11.751 5.654 1.00 0.00 C ATOM 287 C ASP A 21 -0.619 11.993 6.019 1.00 0.00 C ATOM 288 O ASP A 21 -1.493 11.264 5.558 1.00 0.00 O ATOM 289 CB ASP A 21 1.042 11.749 4.140 1.00 0.00 C ATOM 290 CG ASP A 21 0.512 13.063 3.578 1.00 0.00 C ATOM 291 OD1 ASP A 21 1.232 14.075 3.713 1.00 0.00 O ATOM 292 OD2 ASP A 21 -0.619 13.033 3.049 1.00 0.00 O ATOM 0 H ASP A 21 1.238 9.699 5.617 1.00 0.00 H new ATOM 0 HA ASP A 21 1.456 12.562 6.045 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.099 11.633 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.518 10.906 3.690 1.00 0.00 H new ATOM 297 N LYS A 22 -0.862 13.013 6.844 1.00 0.00 N ATOM 298 CA LYS A 22 -2.174 13.351 7.376 1.00 0.00 C ATOM 299 C LYS A 22 -2.961 12.104 7.800 1.00 0.00 C ATOM 300 O LYS A 22 -4.066 11.839 7.323 1.00 0.00 O ATOM 301 CB LYS A 22 -2.940 14.232 6.378 1.00 0.00 C ATOM 302 CG LYS A 22 -2.238 15.547 6.010 1.00 0.00 C ATOM 303 CD LYS A 22 -1.802 16.336 7.255 1.00 0.00 C ATOM 304 CE LYS A 22 -1.629 17.831 6.967 1.00 0.00 C ATOM 305 NZ LYS A 22 -2.930 18.519 6.862 1.00 0.00 N ATOM 0 H LYS A 22 -0.127 13.642 7.167 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.038 13.933 8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.111 13.660 5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.919 14.464 6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.365 15.332 5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.909 16.160 5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.543 16.204 8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.862 15.930 7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.038 18.289 7.760 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.072 17.961 6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.778 19.547 6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.412 18.219 5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.518 18.276 7.685 1.00 0.00 H new ATOM 319 N LYS A 23 -2.380 11.343 8.731 1.00 0.00 N ATOM 320 CA LYS A 23 -3.084 10.263 9.402 1.00 0.00 C ATOM 321 C LYS A 23 -4.079 10.891 10.383 1.00 0.00 C ATOM 322 O LYS A 23 -3.715 11.753 11.182 1.00 0.00 O ATOM 323 CB LYS A 23 -2.122 9.250 10.058 1.00 0.00 C ATOM 324 CG LYS A 23 -0.719 9.750 10.453 1.00 0.00 C ATOM 325 CD LYS A 23 -0.667 10.843 11.532 1.00 0.00 C ATOM 326 CE LYS A 23 -1.094 10.336 12.913 1.00 0.00 C ATOM 327 NZ LYS A 23 -0.091 9.423 13.492 1.00 0.00 N ATOM 0 H LYS A 23 -1.414 11.462 9.035 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.635 9.666 8.676 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.605 8.861 10.955 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.999 8.411 9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.137 8.897 10.801 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.226 10.129 9.558 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.347 11.239 11.593 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.314 11.669 11.237 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.244 11.184 13.582 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.051 9.821 12.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.572 8.682 14.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.461 8.984 12.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.546 9.958 14.116 1.00 0.00 H new ATOM 341 N CYS A 24 -5.351 10.499 10.295 1.00 0.00 N ATOM 342 CA CYS A 24 -6.349 10.894 11.283 1.00 0.00 C ATOM 343 C CYS A 24 -6.038 10.178 12.611 1.00 0.00 C ATOM 344 O CYS A 24 -5.144 9.335 12.644 1.00 0.00 O ATOM 345 CB CYS A 24 -7.735 10.555 10.723 1.00 0.00 C ATOM 346 SG CYS A 24 -9.125 11.204 11.671 1.00 0.00 S ATOM 0 H CYS A 24 -5.712 9.907 9.547 1.00 0.00 H new ATOM 0 HA CYS A 24 -6.329 11.965 11.485 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.801 10.936 9.704 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.830 9.471 10.664 1.00 0.00 H new ATOM 351 N LYS A 25 -6.725 10.508 13.712 1.00 0.00 N ATOM 352 CA LYS A 25 -6.615 9.797 14.983 1.00 0.00 C ATOM 353 C LYS A 25 -7.997 9.726 15.636 1.00 0.00 C ATOM 354 O LYS A 25 -8.543 10.753 16.031 1.00 0.00 O ATOM 355 CB LYS A 25 -5.605 10.483 15.915 1.00 0.00 C ATOM 356 CG LYS A 25 -4.133 10.222 15.552 1.00 0.00 C ATOM 357 CD LYS A 25 -3.722 8.738 15.475 1.00 0.00 C ATOM 358 CE LYS A 25 -4.153 7.903 16.687 1.00 0.00 C ATOM 359 NZ LYS A 25 -3.759 6.495 16.514 1.00 0.00 N ATOM 0 H LYS A 25 -7.381 11.288 13.741 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.250 8.787 14.797 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.786 11.558 15.900 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.781 10.144 16.936 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.926 10.689 14.589 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.502 10.718 16.289 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.152 8.300 14.574 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.638 8.677 15.373 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.698 8.305 17.592 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.233 7.971 16.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.133 5.930 17.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.144 6.134 15.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.722 6.424 16.499 1.00 0.00 H new ATOM 373 N TYR A 26 -8.557 8.517 15.726 1.00 0.00 N ATOM 374 CA TYR A 26 -9.906 8.242 16.224 1.00 0.00 C ATOM 375 C TYR A 26 -10.118 6.737 16.409 1.00 0.00 C ATOM 376 O TYR A 26 -10.773 6.320 17.361 1.00 0.00 O ATOM 377 CB TYR A 26 -10.982 8.811 15.282 1.00 0.00 C ATOM 378 CG TYR A 26 -11.086 8.133 13.929 1.00 0.00 C ATOM 379 CD1 TYR A 26 -10.006 8.193 13.036 1.00 0.00 C ATOM 380 CD2 TYR A 26 -12.238 7.404 13.574 1.00 0.00 C ATOM 381 CE1 TYR A 26 -10.040 7.474 11.835 1.00 0.00 C ATOM 382 CE2 TYR A 26 -12.287 6.731 12.341 1.00 0.00 C ATOM 383 CZ TYR A 26 -11.179 6.745 11.480 1.00 0.00 C ATOM 384 OH TYR A 26 -11.205 6.069 10.299 1.00 0.00 O ATOM 0 H TYR A 26 -8.063 7.670 15.443 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.003 8.737 17.190 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.949 8.742 15.779 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.779 9.870 15.124 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.144 8.797 13.276 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -13.081 7.362 14.247 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.182 7.483 11.179 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.183 6.200 12.055 1.00 0.00 H new ATOM 0 HH TYR A 26 -10.438 6.337 9.752 1.00 0.00 H new ATOM 394 N ASP A 27 -9.566 5.947 15.478 1.00 0.00 N ATOM 395 CA ASP A 27 -9.589 4.494 15.391 1.00 0.00 C ATOM 396 C ASP A 27 -10.852 3.816 15.936 1.00 0.00 C ATOM 397 O ASP A 27 -11.737 3.510 15.142 1.00 0.00 O ATOM 398 CB ASP A 27 -8.260 3.883 15.857 1.00 0.00 C ATOM 399 CG ASP A 27 -7.928 4.200 17.304 1.00 0.00 C ATOM 400 OD1 ASP A 27 -8.342 3.392 18.157 1.00 0.00 O ATOM 401 OD2 ASP A 27 -7.263 5.234 17.539 1.00 0.00 O ATOM 0 H ASP A 27 -9.047 6.353 14.700 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.675 4.261 14.330 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.301 2.801 15.729 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.456 4.249 15.218 1.00 0.00 H new ATOM 406 N GLY A 28 -10.943 3.525 17.236 1.00 0.00 N ATOM 407 CA GLY A 28 -12.050 2.771 17.803 1.00 0.00 C ATOM 408 C GLY A 28 -12.027 1.332 17.293 1.00 0.00 C ATOM 409 O GLY A 28 -11.463 0.456 17.947 1.00 0.00 O ATOM 0 H GLY A 28 -10.245 3.810 17.923 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.985 2.780 18.891 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.995 3.244 17.536 1.00 0.00 H new ATOM 413 N VAL A 29 -12.629 1.102 16.126 1.00 0.00 N ATOM 414 CA VAL A 29 -12.622 -0.163 15.401 1.00 0.00 C ATOM 415 C VAL A 29 -11.685 -0.068 14.192 1.00 0.00 C ATOM 416 O VAL A 29 -11.154 -1.087 13.752 1.00 0.00 O ATOM 417 CB VAL A 29 -14.054 -0.545 14.975 1.00 0.00 C ATOM 418 CG1 VAL A 29 -14.090 -1.933 14.319 1.00 0.00 C ATOM 419 CG2 VAL A 29 -15.004 -0.541 16.180 1.00 0.00 C ATOM 0 H VAL A 29 -13.158 1.827 15.641 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.250 -0.950 16.057 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.381 0.201 14.251 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -15.113 -2.173 14.030 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -13.454 -1.934 13.434 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.729 -2.679 15.026 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -16.007 -0.814 15.853 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.655 -1.261 16.920 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -15.025 0.454 16.624 1.00 0.00 H new ATOM 429 N GLU A 30 -11.468 1.134 13.640 1.00 0.00 N ATOM 430 CA GLU A 30 -10.645 1.313 12.451 1.00 0.00 C ATOM 431 C GLU A 30 -9.166 1.109 12.796 1.00 0.00 C ATOM 432 O GLU A 30 -8.407 2.067 12.917 1.00 0.00 O ATOM 433 CB GLU A 30 -10.910 2.676 11.788 1.00 0.00 C ATOM 434 CG GLU A 30 -12.398 3.027 11.636 1.00 0.00 C ATOM 435 CD GLU A 30 -13.242 1.898 11.050 1.00 0.00 C ATOM 436 OE1 GLU A 30 -12.801 1.327 10.029 1.00 0.00 O ATOM 437 OE2 GLU A 30 -14.310 1.621 11.638 1.00 0.00 O ATOM 0 H GLU A 30 -11.859 2.001 14.008 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.919 0.555 11.717 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.424 3.454 12.377 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.444 2.684 10.802 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.799 3.298 12.613 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.491 3.906 10.998 1.00 0.00 H new ATOM 444 N GLU A 31 -8.757 -0.154 12.937 1.00 0.00 N ATOM 445 CA GLU A 31 -7.409 -0.573 13.303 1.00 0.00 C ATOM 446 C GLU A 31 -6.343 0.133 12.460 1.00 0.00 C ATOM 447 O GLU A 31 -5.297 0.536 12.970 1.00 0.00 O ATOM 448 CB GLU A 31 -7.319 -2.099 13.173 1.00 0.00 C ATOM 449 CG GLU A 31 -6.018 -2.639 13.780 1.00 0.00 C ATOM 450 CD GLU A 31 -5.937 -4.159 13.687 1.00 0.00 C ATOM 451 OE1 GLU A 31 -6.042 -4.666 12.549 1.00 0.00 O ATOM 452 OE2 GLU A 31 -5.772 -4.787 14.757 1.00 0.00 O ATOM 0 H GLU A 31 -9.386 -0.944 12.792 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.211 -0.286 14.336 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.172 -2.559 13.671 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.375 -2.380 12.121 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.166 -2.197 13.264 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.951 -2.335 14.825 1.00 0.00 H new ATOM 459 N GLU A 32 -6.637 0.318 11.169 1.00 0.00 N ATOM 460 CA GLU A 32 -5.776 1.013 10.218 1.00 0.00 C ATOM 461 C GLU A 32 -5.326 2.397 10.706 1.00 0.00 C ATOM 462 O GLU A 32 -4.331 2.933 10.221 1.00 0.00 O ATOM 463 CB GLU A 32 -6.497 1.164 8.875 1.00 0.00 C ATOM 464 CG GLU A 32 -6.888 -0.172 8.232 1.00 0.00 C ATOM 465 CD GLU A 32 -7.551 0.059 6.878 1.00 0.00 C ATOM 466 OE1 GLU A 32 -8.741 0.444 6.891 1.00 0.00 O ATOM 467 OE2 GLU A 32 -6.862 -0.148 5.856 1.00 0.00 O ATOM 0 H GLU A 32 -7.503 -0.021 10.750 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.880 0.402 10.110 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.395 1.764 9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.854 1.714 8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.002 -0.795 8.108 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.569 -0.713 8.889 1.00 0.00 H new ATOM 474 N ASP A 33 -6.090 2.998 11.619 1.00 0.00 N ATOM 475 CA ASP A 33 -5.875 4.340 12.134 1.00 0.00 C ATOM 476 C ASP A 33 -5.107 4.339 13.466 1.00 0.00 C ATOM 477 O ASP A 33 -4.824 5.407 14.007 1.00 0.00 O ATOM 478 CB ASP A 33 -7.243 5.019 12.246 1.00 0.00 C ATOM 479 CG ASP A 33 -7.133 6.475 12.660 1.00 0.00 C ATOM 480 OD1 ASP A 33 -6.766 7.275 11.773 1.00 0.00 O ATOM 481 OD2 ASP A 33 -7.461 6.764 13.833 1.00 0.00 O ATOM 0 H ASP A 33 -6.904 2.542 12.032 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.241 4.903 11.449 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.757 4.954 11.287 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.854 4.483 12.972 1.00 0.00 H new ATOM 486 N ASP A 34 -4.731 3.168 13.999 1.00 0.00 N ATOM 487 CA ASP A 34 -3.828 3.087 15.145 1.00 0.00 C ATOM 488 C ASP A 34 -2.821 1.947 14.997 1.00 0.00 C ATOM 489 O ASP A 34 -1.634 2.206 14.799 1.00 0.00 O ATOM 490 CB ASP A 34 -4.575 3.104 16.492 1.00 0.00 C ATOM 491 CG ASP A 34 -5.489 1.914 16.778 1.00 0.00 C ATOM 492 OD1 ASP A 34 -5.871 1.220 15.813 1.00 0.00 O ATOM 493 OD2 ASP A 34 -5.805 1.725 17.973 1.00 0.00 O ATOM 0 H ASP A 34 -5.043 2.262 13.649 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.232 3.999 15.154 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.836 3.167 17.291 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.174 4.014 16.539 1.00 0.00 H new ATOM 498 N GLU A 35 -3.259 0.690 15.070 1.00 0.00 N ATOM 499 CA GLU A 35 -2.351 -0.449 15.070 1.00 0.00 C ATOM 500 C GLU A 35 -1.967 -0.809 13.633 1.00 0.00 C ATOM 501 O GLU A 35 -2.246 -1.911 13.164 1.00 0.00 O ATOM 502 CB GLU A 35 -2.953 -1.635 15.841 1.00 0.00 C ATOM 503 CG GLU A 35 -3.510 -1.251 17.221 1.00 0.00 C ATOM 504 CD GLU A 35 -2.510 -0.455 18.054 1.00 0.00 C ATOM 505 OE1 GLU A 35 -1.534 -1.082 18.517 1.00 0.00 O ATOM 506 OE2 GLU A 35 -2.731 0.768 18.199 1.00 0.00 O ATOM 0 H GLU A 35 -4.245 0.437 15.130 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.434 -0.179 15.595 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.752 -2.077 15.246 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.188 -2.402 15.967 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.419 -0.664 17.092 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.789 -2.156 17.761 1.00 0.00 H new ATOM 513 N GLU A 36 -1.317 0.129 12.942 1.00 0.00 N ATOM 514 CA GLU A 36 -0.835 -0.021 11.584 1.00 0.00 C ATOM 515 C GLU A 36 0.487 0.749 11.483 1.00 0.00 C ATOM 516 O GLU A 36 0.483 1.944 11.771 1.00 0.00 O ATOM 517 CB GLU A 36 -1.893 0.543 10.634 1.00 0.00 C ATOM 518 CG GLU A 36 -1.472 0.378 9.172 1.00 0.00 C ATOM 519 CD GLU A 36 -2.497 0.986 8.223 1.00 0.00 C ATOM 520 OE1 GLU A 36 -3.441 0.254 7.858 1.00 0.00 O ATOM 521 OE2 GLU A 36 -2.308 2.172 7.876 1.00 0.00 O ATOM 0 H GLU A 36 -1.108 1.046 13.336 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.662 -1.063 11.316 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.843 0.035 10.801 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.054 1.599 10.851 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.503 0.853 9.016 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.348 -0.681 8.945 1.00 0.00 H new ATOM 528 N PRO A 37 1.598 0.111 11.066 1.00 0.00 N ATOM 529 CA PRO A 37 2.924 0.715 10.940 1.00 0.00 C ATOM 530 C PRO A 37 2.959 2.131 10.353 1.00 0.00 C ATOM 531 O PRO A 37 3.785 2.952 10.755 1.00 0.00 O ATOM 532 CB PRO A 37 3.719 -0.269 10.078 1.00 0.00 C ATOM 533 CG PRO A 37 3.151 -1.617 10.511 1.00 0.00 C ATOM 534 CD PRO A 37 1.671 -1.305 10.725 1.00 0.00 C ATOM 0 HA PRO A 37 3.345 0.868 11.934 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.570 -0.089 9.013 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.790 -0.200 10.266 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.297 -2.382 9.748 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.624 -1.982 11.423 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.094 -1.519 9.825 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.255 -1.919 11.524 1.00 0.00 H new ATOM 542 N ASN A 38 2.081 2.431 9.390 1.00 0.00 N ATOM 543 CA ASN A 38 2.025 3.758 8.793 1.00 0.00 C ATOM 544 C ASN A 38 1.759 4.851 9.826 1.00 0.00 C ATOM 545 O ASN A 38 2.294 5.949 9.706 1.00 0.00 O ATOM 546 CB ASN A 38 0.959 3.829 7.696 1.00 0.00 C ATOM 547 CG ASN A 38 1.072 5.166 6.969 1.00 0.00 C ATOM 548 OD1 ASN A 38 2.145 5.511 6.491 1.00 0.00 O ATOM 549 ND2 ASN A 38 0.010 5.958 6.893 1.00 0.00 N ATOM 0 H ASN A 38 1.403 1.770 9.012 1.00 0.00 H new ATOM 0 HA ASN A 38 3.008 3.934 8.356 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.090 3.007 6.992 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.035 3.721 8.131 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.082 6.865 6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.879 5.659 7.295 1.00 0.00 H new ATOM 556 N VAL A 39 0.908 4.574 10.817 1.00 0.00 N ATOM 557 CA VAL A 39 0.452 5.586 11.758 1.00 0.00 C ATOM 558 C VAL A 39 1.643 6.234 12.487 1.00 0.00 C ATOM 559 O VAL A 39 1.833 7.440 12.332 1.00 0.00 O ATOM 560 CB VAL A 39 -0.671 5.036 12.654 1.00 0.00 C ATOM 561 CG1 VAL A 39 -1.138 6.089 13.666 1.00 0.00 C ATOM 562 CG2 VAL A 39 -1.872 4.622 11.791 1.00 0.00 C ATOM 0 H VAL A 39 0.521 3.645 10.985 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.015 6.413 11.223 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.275 4.175 13.192 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.932 5.672 14.285 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.300 6.382 14.299 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.514 6.963 13.134 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.664 4.233 12.432 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.242 5.488 11.242 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.564 3.850 11.086 1.00 0.00 H new ATOM 572 N PRO A 40 2.502 5.491 13.209 1.00 0.00 N ATOM 573 CA PRO A 40 3.737 6.034 13.765 1.00 0.00 C ATOM 574 C PRO A 40 4.856 6.126 12.709 1.00 0.00 C ATOM 575 O PRO A 40 6.020 5.898 13.027 1.00 0.00 O ATOM 576 CB PRO A 40 4.094 5.072 14.906 1.00 0.00 C ATOM 577 CG PRO A 40 3.624 3.729 14.353 1.00 0.00 C ATOM 578 CD PRO A 40 2.329 4.109 13.635 1.00 0.00 C ATOM 0 HA PRO A 40 3.615 7.058 14.117 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.163 5.073 15.120 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.583 5.332 15.833 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.354 3.292 13.672 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.451 3.001 15.145 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.149 3.456 12.781 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.470 4.009 14.299 1.00 0.00 H new ATOM 586 N CYS A 41 4.524 6.500 11.466 1.00 0.00 N ATOM 587 CA CYS A 41 5.443 6.696 10.345 1.00 0.00 C ATOM 588 C CYS A 41 6.536 5.628 10.206 1.00 0.00 C ATOM 589 O CYS A 41 7.641 5.924 9.754 1.00 0.00 O ATOM 590 CB CYS A 41 6.052 8.110 10.434 1.00 0.00 C ATOM 591 SG CYS A 41 5.922 9.057 8.901 1.00 0.00 S ATOM 0 H CYS A 41 3.555 6.683 11.205 1.00 0.00 H new ATOM 0 HA CYS A 41 4.850 6.588 9.437 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.555 8.660 11.233 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.103 8.026 10.710 1.00 0.00 H new ATOM 596 N LEU A 42 6.236 4.368 10.541 1.00 0.00 N ATOM 597 CA LEU A 42 7.255 3.324 10.585 1.00 0.00 C ATOM 598 C LEU A 42 7.658 2.910 9.165 1.00 0.00 C ATOM 599 O LEU A 42 8.785 2.479 8.931 1.00 0.00 O ATOM 600 CB LEU A 42 6.737 2.133 11.413 1.00 0.00 C ATOM 601 CG LEU A 42 7.769 1.425 12.309 1.00 0.00 C ATOM 602 CD1 LEU A 42 8.997 0.922 11.545 1.00 0.00 C ATOM 603 CD2 LEU A 42 8.201 2.307 13.489 1.00 0.00 C ATOM 0 H LEU A 42 5.297 4.051 10.784 1.00 0.00 H new ATOM 0 HA LEU A 42 8.152 3.705 11.072 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.920 2.484 12.044 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.317 1.397 10.728 1.00 0.00 H new ATOM 0 HG LEU A 42 7.255 0.546 12.698 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.682 0.434 12.238 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.684 0.209 10.782 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.500 1.764 11.070 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.930 1.770 14.097 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.650 3.226 13.111 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.331 2.552 14.098 1.00 0.00 H new ATOM 615 N VAL A 43 6.734 3.031 8.206 1.00 0.00 N ATOM 616 CA VAL A 43 6.945 2.643 6.815 1.00 0.00 C ATOM 617 C VAL A 43 7.924 3.591 6.109 1.00 0.00 C ATOM 618 O VAL A 43 7.551 4.323 5.199 1.00 0.00 O ATOM 619 CB VAL A 43 5.591 2.494 6.084 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.750 1.408 6.770 1.00 0.00 C ATOM 621 CG2 VAL A 43 4.758 3.783 6.000 1.00 0.00 C ATOM 0 H VAL A 43 5.803 3.409 8.382 1.00 0.00 H new ATOM 0 HA VAL A 43 7.421 1.663 6.790 1.00 0.00 H new ATOM 0 HB VAL A 43 5.844 2.224 5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.796 1.305 6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.285 0.459 6.737 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.571 1.688 7.808 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.827 3.581 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.534 4.138 7.006 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.322 4.546 5.463 1.00 0.00 H new ATOM 631 N ARG A 44 9.209 3.531 6.466 1.00 0.00 N ATOM 632 CA ARG A 44 10.256 4.438 5.988 1.00 0.00 C ATOM 633 C ARG A 44 10.595 4.277 4.492 1.00 0.00 C ATOM 634 O ARG A 44 11.633 4.752 4.032 1.00 0.00 O ATOM 635 CB ARG A 44 11.507 4.231 6.866 1.00 0.00 C ATOM 636 CG ARG A 44 12.425 5.463 6.938 1.00 0.00 C ATOM 637 CD ARG A 44 12.199 6.280 8.219 1.00 0.00 C ATOM 638 NE ARG A 44 10.786 6.619 8.428 1.00 0.00 N ATOM 639 CZ ARG A 44 10.091 7.519 7.722 1.00 0.00 C ATOM 640 NH1 ARG A 44 10.673 8.235 6.756 1.00 0.00 N ATOM 641 NH2 ARG A 44 8.790 7.674 7.971 1.00 0.00 N ATOM 0 H ARG A 44 9.561 2.828 7.116 1.00 0.00 H new ATOM 0 HA ARG A 44 9.880 5.457 6.077 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.192 3.965 7.875 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.077 3.387 6.477 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.466 5.142 6.893 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.249 6.097 6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.564 5.714 9.076 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.786 7.197 8.169 1.00 0.00 H new ATOM 0 HE ARG A 44 10.293 6.128 9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.662 8.100 6.547 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.128 8.917 6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.338 7.111 8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.247 8.356 7.441 1.00 0.00 H new ATOM 655 N VAL A 45 9.739 3.622 3.706 1.00 0.00 N ATOM 656 CA VAL A 45 9.935 3.410 2.284 1.00 0.00 C ATOM 657 C VAL A 45 9.536 4.682 1.535 1.00 0.00 C ATOM 658 O VAL A 45 8.563 4.690 0.784 1.00 0.00 O ATOM 659 CB VAL A 45 9.167 2.154 1.822 1.00 0.00 C ATOM 660 CG1 VAL A 45 9.873 0.890 2.330 1.00 0.00 C ATOM 661 CG2 VAL A 45 7.698 2.110 2.276 1.00 0.00 C ATOM 0 H VAL A 45 8.871 3.217 4.056 1.00 0.00 H new ATOM 0 HA VAL A 45 10.984 3.218 2.060 1.00 0.00 H new ATOM 0 HB VAL A 45 9.164 2.199 0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.324 0.009 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.888 0.856 1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.910 0.907 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.231 1.196 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.653 2.129 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.167 2.974 1.876 1.00 0.00 H new ATOM 671 N CYS A 46 10.297 5.762 1.742 1.00 0.00 N ATOM 672 CA CYS A 46 10.046 7.080 1.161 1.00 0.00 C ATOM 673 C CYS A 46 10.373 7.083 -0.334 1.00 0.00 C ATOM 674 O CYS A 46 11.281 7.772 -0.791 1.00 0.00 O ATOM 675 CB CYS A 46 10.882 8.131 1.889 1.00 0.00 C ATOM 676 SG CYS A 46 10.552 9.879 1.530 1.00 0.00 S ATOM 0 H CYS A 46 11.127 5.740 2.335 1.00 0.00 H new ATOM 0 HA CYS A 46 8.989 7.320 1.278 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.750 7.979 2.960 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.931 7.936 1.666 1.00 0.00 H new ATOM 681 N HIS A 47 9.631 6.290 -1.101 1.00 0.00 N ATOM 682 CA HIS A 47 9.728 6.204 -2.541 1.00 0.00 C ATOM 683 C HIS A 47 8.365 6.558 -3.116 1.00 0.00 C ATOM 684 O HIS A 47 7.342 6.183 -2.547 1.00 0.00 O ATOM 685 CB HIS A 47 10.210 4.807 -2.967 1.00 0.00 C ATOM 686 CG HIS A 47 9.404 3.628 -2.466 1.00 0.00 C ATOM 687 ND1 HIS A 47 8.048 3.589 -2.223 1.00 0.00 N ATOM 688 CD2 HIS A 47 9.884 2.357 -2.284 1.00 0.00 C ATOM 689 CE1 HIS A 47 7.724 2.328 -1.898 1.00 0.00 C ATOM 690 NE2 HIS A 47 8.808 1.537 -1.934 1.00 0.00 N ATOM 0 H HIS A 47 8.920 5.669 -0.714 1.00 0.00 H new ATOM 0 HA HIS A 47 10.467 6.905 -2.929 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.226 4.770 -4.056 1.00 0.00 H new ATOM 0 HB3 HIS A 47 11.239 4.684 -2.629 1.00 0.00 H new ATOM 0 HD1 HIS A 47 7.405 4.379 -2.280 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.912 2.045 -2.392 1.00 0.00 H new ATOM 0 HE1 HIS A 47 6.729 1.995 -1.643 1.00 0.00 H new ATOM 698 N GLN A 48 8.374 7.308 -4.213 1.00 0.00 N ATOM 699 CA GLN A 48 7.216 7.639 -5.046 1.00 0.00 C ATOM 700 C GLN A 48 6.020 6.692 -4.873 1.00 0.00 C ATOM 701 O GLN A 48 6.102 5.504 -5.185 1.00 0.00 O ATOM 702 CB GLN A 48 7.643 7.793 -6.512 1.00 0.00 C ATOM 703 CG GLN A 48 8.202 6.508 -7.137 1.00 0.00 C ATOM 704 CD GLN A 48 8.862 6.785 -8.482 1.00 0.00 C ATOM 705 OE1 GLN A 48 10.027 6.459 -8.685 1.00 0.00 O ATOM 706 NE2 GLN A 48 8.132 7.391 -9.413 1.00 0.00 N ATOM 0 H GLN A 48 9.235 7.726 -4.567 1.00 0.00 H new ATOM 0 HA GLN A 48 6.841 8.599 -4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.785 8.126 -7.097 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.398 8.576 -6.580 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.928 6.058 -6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.397 5.785 -7.267 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.166 7.650 -9.215 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.538 7.597 -10.326 1.00 0.00 H new ATOM 715 N ASP A 49 4.918 7.227 -4.344 1.00 0.00 N ATOM 716 CA ASP A 49 3.662 6.527 -4.117 1.00 0.00 C ATOM 717 C ASP A 49 2.642 7.620 -3.796 1.00 0.00 C ATOM 718 O ASP A 49 2.978 8.798 -3.916 1.00 0.00 O ATOM 719 CB ASP A 49 3.827 5.520 -2.965 1.00 0.00 C ATOM 720 CG ASP A 49 2.757 4.432 -2.904 1.00 0.00 C ATOM 721 OD1 ASP A 49 1.699 4.604 -3.548 1.00 0.00 O ATOM 722 OD2 ASP A 49 3.019 3.432 -2.203 1.00 0.00 O ATOM 0 H ASP A 49 4.880 8.203 -4.051 1.00 0.00 H new ATOM 0 HA ASP A 49 3.336 5.945 -4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.804 5.044 -3.055 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.824 6.066 -2.021 1.00 0.00 H new ATOM 727 N CYS A 50 1.416 7.282 -3.402 1.00 0.00 N ATOM 728 CA CYS A 50 0.437 8.296 -3.043 1.00 0.00 C ATOM 729 C CYS A 50 0.516 8.697 -1.577 1.00 0.00 C ATOM 730 O CYS A 50 0.932 7.923 -0.718 1.00 0.00 O ATOM 731 CB CYS A 50 -0.979 7.921 -3.486 1.00 0.00 C ATOM 732 SG CYS A 50 -1.229 8.433 -5.195 1.00 0.00 S ATOM 0 H CYS A 50 1.082 6.321 -3.325 1.00 0.00 H new ATOM 0 HA CYS A 50 0.701 9.191 -3.606 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.128 6.845 -3.392 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.713 8.402 -2.840 1.00 0.00 H new ATOM 737 N VAL A 51 0.099 9.938 -1.331 1.00 0.00 N ATOM 738 CA VAL A 51 -0.150 10.564 -0.046 1.00 0.00 C ATOM 739 C VAL A 51 -1.515 11.250 -0.181 1.00 0.00 C ATOM 740 O VAL A 51 -2.206 11.018 -1.174 1.00 0.00 O ATOM 741 CB VAL A 51 1.003 11.523 0.301 1.00 0.00 C ATOM 742 CG1 VAL A 51 2.352 10.790 0.342 1.00 0.00 C ATOM 743 CG2 VAL A 51 1.084 12.730 -0.643 1.00 0.00 C ATOM 0 H VAL A 51 -0.088 10.583 -2.099 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.184 9.857 0.783 1.00 0.00 H new ATOM 0 HB VAL A 51 0.780 11.907 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.143 11.498 0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.317 10.005 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.555 10.346 -0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.916 13.368 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.239 12.383 -1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.155 13.297 -0.589 1.00 0.00 H new ATOM 753 N CYS A 52 -1.915 12.098 0.767 1.00 0.00 N ATOM 754 CA CYS A 52 -3.123 12.904 0.640 1.00 0.00 C ATOM 755 C CYS A 52 -2.733 14.341 0.333 1.00 0.00 C ATOM 756 O CYS A 52 -1.760 14.845 0.891 1.00 0.00 O ATOM 757 CB CYS A 52 -3.937 12.893 1.938 1.00 0.00 C ATOM 758 SG CYS A 52 -4.623 11.311 2.471 1.00 0.00 S ATOM 0 H CYS A 52 -1.410 12.243 1.641 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.729 12.482 -0.162 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.301 13.272 2.738 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.761 13.597 1.825 1.00 0.00 H new ATOM 763 N GLU A 53 -3.483 15.019 -0.541 1.00 0.00 N ATOM 764 CA GLU A 53 -3.317 16.453 -0.693 1.00 0.00 C ATOM 765 C GLU A 53 -3.668 17.049 0.677 1.00 0.00 C ATOM 766 O GLU A 53 -4.719 16.724 1.221 1.00 0.00 O ATOM 767 CB GLU A 53 -4.200 16.953 -1.845 1.00 0.00 C ATOM 768 CG GLU A 53 -4.105 18.465 -2.079 1.00 0.00 C ATOM 769 CD GLU A 53 -5.042 19.264 -1.173 1.00 0.00 C ATOM 770 OE1 GLU A 53 -6.247 19.303 -1.501 1.00 0.00 O ATOM 771 OE2 GLU A 53 -4.543 19.817 -0.170 1.00 0.00 O ATOM 0 H GLU A 53 -4.195 14.601 -1.140 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.306 16.755 -0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.917 16.434 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.237 16.690 -1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.079 18.791 -1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.341 18.683 -3.121 1.00 0.00 H new ATOM 778 N GLU A 54 -2.768 17.870 1.231 1.00 0.00 N ATOM 779 CA GLU A 54 -2.761 18.391 2.598 1.00 0.00 C ATOM 780 C GLU A 54 -4.130 18.617 3.255 1.00 0.00 C ATOM 781 O GLU A 54 -4.304 18.284 4.425 1.00 0.00 O ATOM 782 CB GLU A 54 -1.933 19.682 2.656 1.00 0.00 C ATOM 783 CG GLU A 54 -0.465 19.458 2.265 1.00 0.00 C ATOM 784 CD GLU A 54 0.361 20.718 2.504 1.00 0.00 C ATOM 785 OE1 GLU A 54 0.765 20.917 3.669 1.00 0.00 O ATOM 786 OE2 GLU A 54 0.559 21.463 1.520 1.00 0.00 O ATOM 0 H GLU A 54 -1.970 18.210 0.695 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.311 17.594 3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.374 20.423 1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.978 20.094 3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.052 18.632 2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.404 19.172 1.215 1.00 0.00 H new ATOM 793 N GLY A 55 -5.086 19.219 2.543 1.00 0.00 N ATOM 794 CA GLY A 55 -6.417 19.496 3.079 1.00 0.00 C ATOM 795 C GLY A 55 -7.147 18.245 3.592 1.00 0.00 C ATOM 796 O GLY A 55 -8.071 18.352 4.400 1.00 0.00 O ATOM 0 H GLY A 55 -4.957 19.527 1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.329 20.215 3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.021 19.966 2.303 1.00 0.00 H new ATOM 800 N PHE A 56 -6.762 17.066 3.102 1.00 0.00 N ATOM 801 CA PHE A 56 -7.418 15.797 3.350 1.00 0.00 C ATOM 802 C PHE A 56 -6.566 14.900 4.250 1.00 0.00 C ATOM 803 O PHE A 56 -5.341 15.002 4.238 1.00 0.00 O ATOM 804 CB PHE A 56 -7.645 15.120 2.002 1.00 0.00 C ATOM 805 CG PHE A 56 -8.354 15.964 0.962 1.00 0.00 C ATOM 806 CD1 PHE A 56 -9.562 16.620 1.266 1.00 0.00 C ATOM 807 CD2 PHE A 56 -7.771 16.133 -0.305 1.00 0.00 C ATOM 808 CE1 PHE A 56 -10.188 17.427 0.303 1.00 0.00 C ATOM 809 CE2 PHE A 56 -8.389 16.953 -1.265 1.00 0.00 C ATOM 810 CZ PHE A 56 -9.602 17.596 -0.964 1.00 0.00 C ATOM 0 H PHE A 56 -5.947 16.974 2.495 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.365 15.967 3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.679 14.815 1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.224 14.211 2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -10.008 16.502 2.242 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.845 15.631 -0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -11.121 17.919 0.536 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.932 17.089 -2.234 1.00 0.00 H new ATOM 0 HZ PHE A 56 -10.083 18.218 -1.704 1.00 0.00 H new ATOM 820 N TYR A 57 -7.213 14.008 5.009 1.00 0.00 N ATOM 821 CA TYR A 57 -6.562 13.063 5.904 1.00 0.00 C ATOM 822 C TYR A 57 -6.902 11.649 5.451 1.00 0.00 C ATOM 823 O TYR A 57 -8.055 11.376 5.126 1.00 0.00 O ATOM 824 CB TYR A 57 -7.031 13.298 7.349 1.00 0.00 C ATOM 825 CG TYR A 57 -6.439 14.524 8.022 1.00 0.00 C ATOM 826 CD1 TYR A 57 -6.753 15.816 7.558 1.00 0.00 C ATOM 827 CD2 TYR A 57 -5.521 14.374 9.079 1.00 0.00 C ATOM 828 CE1 TYR A 57 -6.115 16.940 8.103 1.00 0.00 C ATOM 829 CE2 TYR A 57 -4.876 15.499 9.622 1.00 0.00 C ATOM 830 CZ TYR A 57 -5.150 16.779 9.109 1.00 0.00 C ATOM 831 OH TYR A 57 -4.445 17.861 9.545 1.00 0.00 O ATOM 0 H TYR A 57 -8.230 13.927 5.013 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.481 13.203 5.873 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.117 13.388 7.353 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -6.782 12.419 7.944 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.489 15.942 6.778 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.312 13.391 9.474 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.366 17.929 7.749 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.171 15.380 10.432 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.817 17.582 10.244 1.00 0.00 H new ATOM 841 N ARG A 58 -5.927 10.737 5.433 1.00 0.00 N ATOM 842 CA ARG A 58 -6.221 9.343 5.121 1.00 0.00 C ATOM 843 C ARG A 58 -6.990 8.744 6.297 1.00 0.00 C ATOM 844 O ARG A 58 -6.397 8.363 7.306 1.00 0.00 O ATOM 845 CB ARG A 58 -4.978 8.526 4.735 1.00 0.00 C ATOM 846 CG ARG A 58 -3.742 8.758 5.614 1.00 0.00 C ATOM 847 CD ARG A 58 -3.153 7.430 6.090 1.00 0.00 C ATOM 848 NE ARG A 58 -4.044 6.797 7.072 1.00 0.00 N ATOM 849 CZ ARG A 58 -3.858 5.587 7.612 1.00 0.00 C ATOM 850 NH1 ARG A 58 -2.940 4.757 7.106 1.00 0.00 N ATOM 851 NH2 ARG A 58 -4.594 5.214 8.663 1.00 0.00 N ATOM 0 H ARG A 58 -4.946 10.936 5.627 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.841 9.304 4.225 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.234 7.467 4.769 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.718 8.758 3.702 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.991 9.313 5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.013 9.370 6.475 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.007 6.764 5.240 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.172 7.599 6.535 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.869 7.321 7.365 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.378 5.045 6.305 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.802 3.836 7.521 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.292 5.850 9.048 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.458 4.293 9.080 1.00 0.00 H new ATOM 865 N ASN A 59 -8.322 8.706 6.176 1.00 0.00 N ATOM 866 CA ASN A 59 -9.197 8.309 7.278 1.00 0.00 C ATOM 867 C ASN A 59 -8.837 6.913 7.784 1.00 0.00 C ATOM 868 O ASN A 59 -8.864 6.667 8.985 1.00 0.00 O ATOM 869 CB ASN A 59 -10.685 8.327 6.892 1.00 0.00 C ATOM 870 CG ASN A 59 -11.256 9.662 6.418 1.00 0.00 C ATOM 871 OD1 ASN A 59 -12.453 9.749 6.168 1.00 0.00 O ATOM 872 ND2 ASN A 59 -10.444 10.709 6.302 1.00 0.00 N ATOM 0 H ASN A 59 -8.818 8.948 5.318 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.041 9.046 8.066 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.840 7.591 6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.264 7.997 7.754 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.814 11.610 5.999 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.452 10.611 6.516 1.00 0.00 H new ATOM 879 N LYS A 60 -8.535 5.985 6.874 1.00 0.00 N ATOM 880 CA LYS A 60 -8.154 4.628 7.246 1.00 0.00 C ATOM 881 C LYS A 60 -7.446 3.904 6.099 1.00 0.00 C ATOM 882 O LYS A 60 -6.371 3.345 6.291 1.00 0.00 O ATOM 883 CB LYS A 60 -9.365 3.841 7.786 1.00 0.00 C ATOM 884 CG LYS A 60 -10.631 3.867 6.915 1.00 0.00 C ATOM 885 CD LYS A 60 -11.709 3.014 7.597 1.00 0.00 C ATOM 886 CE LYS A 60 -12.974 2.868 6.744 1.00 0.00 C ATOM 887 NZ LYS A 60 -13.751 4.117 6.690 1.00 0.00 N ATOM 0 H LYS A 60 -8.548 6.154 5.868 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.430 4.693 8.058 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.065 2.802 7.924 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.618 4.234 8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.982 4.891 6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.414 3.479 5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.303 2.025 7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.971 3.464 8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.697 2.570 5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.596 2.071 7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.541 4.006 6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.124 4.335 7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.137 4.894 6.372 1.00 0.00 H new ATOM 901 N ASP A 61 -8.052 3.917 4.908 1.00 0.00 N ATOM 902 CA ASP A 61 -7.616 3.108 3.768 1.00 0.00 C ATOM 903 C ASP A 61 -7.424 4.026 2.564 1.00 0.00 C ATOM 904 O ASP A 61 -8.229 4.022 1.637 1.00 0.00 O ATOM 905 CB ASP A 61 -8.654 2.008 3.499 1.00 0.00 C ATOM 906 CG ASP A 61 -8.310 1.167 2.271 1.00 0.00 C ATOM 907 OD1 ASP A 61 -7.100 0.956 2.037 1.00 0.00 O ATOM 908 OD2 ASP A 61 -9.271 0.747 1.590 1.00 0.00 O ATOM 0 H ASP A 61 -8.867 4.496 4.707 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.665 2.617 3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.725 1.359 4.372 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.634 2.464 3.360 1.00 0.00 H new ATOM 913 N ASP A 62 -6.374 4.853 2.617 1.00 0.00 N ATOM 914 CA ASP A 62 -6.121 5.962 1.692 1.00 0.00 C ATOM 915 C ASP A 62 -7.391 6.780 1.398 1.00 0.00 C ATOM 916 O ASP A 62 -7.527 7.410 0.350 1.00 0.00 O ATOM 917 CB ASP A 62 -5.485 5.416 0.402 1.00 0.00 C ATOM 918 CG ASP A 62 -4.870 6.502 -0.484 1.00 0.00 C ATOM 919 OD1 ASP A 62 -4.487 7.557 0.066 1.00 0.00 O ATOM 920 OD2 ASP A 62 -4.738 6.231 -1.696 1.00 0.00 O ATOM 0 H ASP A 62 -5.651 4.765 3.331 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.425 6.653 2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.713 4.693 0.665 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.243 4.879 -0.168 1.00 0.00 H new ATOM 925 N LYS A 63 -8.318 6.814 2.360 1.00 0.00 N ATOM 926 CA LYS A 63 -9.563 7.551 2.258 1.00 0.00 C ATOM 927 C LYS A 63 -9.248 9.005 2.578 1.00 0.00 C ATOM 928 O LYS A 63 -9.529 9.480 3.676 1.00 0.00 O ATOM 929 CB LYS A 63 -10.600 6.959 3.222 1.00 0.00 C ATOM 930 CG LYS A 63 -11.001 5.508 2.921 1.00 0.00 C ATOM 931 CD LYS A 63 -11.547 5.323 1.502 1.00 0.00 C ATOM 932 CE LYS A 63 -12.042 3.885 1.308 1.00 0.00 C ATOM 933 NZ LYS A 63 -12.552 3.675 -0.057 1.00 0.00 N ATOM 0 H LYS A 63 -8.214 6.318 3.245 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.992 7.483 1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.203 7.009 4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.495 7.581 3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.135 4.861 3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.755 5.188 3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.363 6.023 1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.769 5.549 0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.228 3.188 1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.829 3.668 2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.880 2.693 -0.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.344 4.325 -0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.793 3.859 -0.743 1.00 0.00 H new ATOM 947 N CYS A 64 -8.592 9.673 1.631 1.00 0.00 N ATOM 948 CA CYS A 64 -8.126 11.040 1.777 1.00 0.00 C ATOM 949 C CYS A 64 -9.308 12.003 1.770 1.00 0.00 C ATOM 950 O CYS A 64 -9.657 12.537 0.719 1.00 0.00 O ATOM 951 CB CYS A 64 -7.128 11.381 0.664 1.00 0.00 C ATOM 952 SG CYS A 64 -5.537 10.533 0.773 1.00 0.00 S ATOM 0 H CYS A 64 -8.368 9.265 0.723 1.00 0.00 H new ATOM 0 HA CYS A 64 -7.613 11.141 2.734 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.584 11.142 -0.297 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.950 12.456 0.674 1.00 0.00 H new ATOM 957 N VAL A 65 -9.893 12.276 2.937 1.00 0.00 N ATOM 958 CA VAL A 65 -10.881 13.337 3.127 1.00 0.00 C ATOM 959 C VAL A 65 -10.599 13.980 4.487 1.00 0.00 C ATOM 960 O VAL A 65 -9.998 13.339 5.346 1.00 0.00 O ATOM 961 CB VAL A 65 -12.327 12.835 2.953 1.00 0.00 C ATOM 962 CG1 VAL A 65 -12.643 12.497 1.491 1.00 0.00 C ATOM 963 CG2 VAL A 65 -12.638 11.612 3.816 1.00 0.00 C ATOM 0 H VAL A 65 -9.690 11.757 3.791 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.786 14.096 2.351 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.957 13.662 3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.672 12.147 1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.515 13.388 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.967 11.716 1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.670 11.304 3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.968 10.796 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.498 11.863 4.867 1.00 0.00 H new ATOM 973 N SER A 66 -10.927 15.259 4.668 1.00 0.00 N ATOM 974 CA SER A 66 -10.512 16.045 5.824 1.00 0.00 C ATOM 975 C SER A 66 -10.860 15.407 7.175 1.00 0.00 C ATOM 976 O SER A 66 -11.782 14.602 7.274 1.00 0.00 O ATOM 977 CB SER A 66 -11.100 17.451 5.676 1.00 0.00 C ATOM 978 OG SER A 66 -10.817 17.913 4.369 1.00 0.00 O ATOM 0 H SER A 66 -11.497 15.784 4.004 1.00 0.00 H new ATOM 0 HA SER A 66 -9.423 16.090 5.835 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.176 17.433 5.848 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.670 18.123 6.418 1.00 0.00 H new ATOM 0 HG SER A 66 -9.858 18.097 4.288 1.00 0.00 H new ATOM 984 N ALA A 67 -10.146 15.798 8.237 1.00 0.00 N ATOM 985 CA ALA A 67 -10.398 15.312 9.594 1.00 0.00 C ATOM 986 C ALA A 67 -11.872 15.494 9.992 1.00 0.00 C ATOM 987 O ALA A 67 -12.445 14.669 10.698 1.00 0.00 O ATOM 988 CB ALA A 67 -9.467 16.020 10.580 1.00 0.00 C ATOM 0 H ALA A 67 -9.375 16.463 8.177 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.190 14.242 9.622 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.659 15.654 11.589 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.430 15.817 10.312 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.647 17.094 10.543 1.00 0.00 H new ATOM 994 N GLU A 68 -12.495 16.565 9.496 1.00 0.00 N ATOM 995 CA GLU A 68 -13.927 16.790 9.614 1.00 0.00 C ATOM 996 C GLU A 68 -14.709 15.565 9.118 1.00 0.00 C ATOM 997 O GLU A 68 -15.597 15.061 9.801 1.00 0.00 O ATOM 998 CB GLU A 68 -14.305 18.038 8.803 1.00 0.00 C ATOM 999 CG GLU A 68 -13.524 19.284 9.249 1.00 0.00 C ATOM 1000 CD GLU A 68 -13.940 20.505 8.435 1.00 0.00 C ATOM 1001 OE1 GLU A 68 -13.407 20.638 7.313 1.00 0.00 O ATOM 1002 OE2 GLU A 68 -14.787 21.270 8.944 1.00 0.00 O ATOM 0 H GLU A 68 -12.007 17.308 8.995 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.185 16.947 10.661 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.115 17.852 7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.374 18.226 8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.702 19.470 10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.455 19.110 9.131 1.00 0.00 H new ATOM 1009 N ASP A 69 -14.366 15.086 7.920 1.00 0.00 N ATOM 1010 CA ASP A 69 -14.983 13.918 7.314 1.00 0.00 C ATOM 1011 C ASP A 69 -14.630 12.676 8.121 1.00 0.00 C ATOM 1012 O ASP A 69 -15.511 11.884 8.423 1.00 0.00 O ATOM 1013 CB ASP A 69 -14.525 13.743 5.862 1.00 0.00 C ATOM 1014 CG ASP A 69 -14.863 14.952 5.002 1.00 0.00 C ATOM 1015 OD1 ASP A 69 -16.003 14.990 4.493 1.00 0.00 O ATOM 1016 OD2 ASP A 69 -13.970 15.818 4.870 1.00 0.00 O ATOM 0 H ASP A 69 -13.641 15.509 7.341 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.064 14.061 7.315 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.448 13.574 5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.996 12.856 5.439 1.00 0.00 H new ATOM 1021 N CYS A 70 -13.348 12.505 8.460 1.00 0.00 N ATOM 1022 CA CYS A 70 -12.809 11.330 9.150 1.00 0.00 C ATOM 1023 C CYS A 70 -13.708 10.775 10.261 1.00 0.00 C ATOM 1024 O CYS A 70 -13.911 9.562 10.360 1.00 0.00 O ATOM 1025 CB CYS A 70 -11.427 11.653 9.708 1.00 0.00 C ATOM 1026 SG CYS A 70 -10.781 10.346 10.750 1.00 0.00 S ATOM 0 H CYS A 70 -12.634 13.204 8.255 1.00 0.00 H new ATOM 0 HA CYS A 70 -12.751 10.541 8.400 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -10.738 11.828 8.882 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -11.478 12.578 10.282 1.00 0.00 H new ATOM 1031 N GLU A 71 -14.256 11.661 11.093 1.00 0.00 N ATOM 1032 CA GLU A 71 -15.169 11.248 12.144 1.00 0.00 C ATOM 1033 C GLU A 71 -16.475 10.727 11.534 1.00 0.00 C ATOM 1034 O GLU A 71 -16.836 9.564 11.722 1.00 0.00 O ATOM 1035 CB GLU A 71 -15.392 12.406 13.129 1.00 0.00 C ATOM 1036 CG GLU A 71 -14.076 13.055 13.597 1.00 0.00 C ATOM 1037 CD GLU A 71 -13.013 12.039 14.012 1.00 0.00 C ATOM 1038 OE1 GLU A 71 -13.362 11.153 14.821 1.00 0.00 O ATOM 1039 OE2 GLU A 71 -11.875 12.165 13.511 1.00 0.00 O ATOM 0 H GLU A 71 -14.081 12.665 11.055 1.00 0.00 H new ATOM 0 HA GLU A 71 -14.734 10.425 12.711 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -16.017 13.164 12.656 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -15.939 12.038 13.997 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.680 13.676 12.794 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.284 13.716 14.438 1.00 0.00 H new ATOM 1046 N LEU A 72 -17.173 11.581 10.779 1.00 0.00 N ATOM 1047 CA LEU A 72 -18.454 11.277 10.139 1.00 0.00 C ATOM 1048 C LEU A 72 -18.371 10.017 9.267 1.00 0.00 C ATOM 1049 O LEU A 72 -19.345 9.277 9.152 1.00 0.00 O ATOM 1050 CB LEU A 72 -18.919 12.481 9.303 1.00 0.00 C ATOM 1051 CG LEU A 72 -19.614 13.608 10.091 1.00 0.00 C ATOM 1052 CD1 LEU A 72 -21.011 13.193 10.571 1.00 0.00 C ATOM 1053 CD2 LEU A 72 -18.794 14.125 11.278 1.00 0.00 C ATOM 0 H LEU A 72 -16.852 12.531 10.592 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.184 11.080 10.924 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.054 12.901 8.790 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.604 12.124 8.534 1.00 0.00 H new ATOM 0 HG LEU A 72 -19.707 14.429 9.380 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -21.466 14.016 11.122 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.633 12.945 9.711 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -20.928 12.323 11.222 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -19.346 14.916 11.785 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -18.609 13.308 11.975 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -17.843 14.519 10.919 1.00 0.00 H new ATOM 1065 N ASP A 73 -17.202 9.767 8.674 1.00 0.00 N ATOM 1066 CA ASP A 73 -16.887 8.618 7.841 1.00 0.00 C ATOM 1067 C ASP A 73 -17.163 7.299 8.569 1.00 0.00 C ATOM 1068 O ASP A 73 -17.360 6.279 7.913 1.00 0.00 O ATOM 1069 CB ASP A 73 -15.407 8.713 7.430 1.00 0.00 C ATOM 1070 CG ASP A 73 -14.930 7.580 6.524 1.00 0.00 C ATOM 1071 OD1 ASP A 73 -15.617 7.325 5.511 1.00 0.00 O ATOM 1072 OD2 ASP A 73 -13.864 7.006 6.844 1.00 0.00 O ATOM 0 H ASP A 73 -16.409 10.401 8.771 1.00 0.00 H new ATOM 0 HA ASP A 73 -17.526 8.628 6.958 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -15.244 9.663 6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.793 8.725 8.330 1.00 0.00 H new ATOM 1077 N ASN A 74 -17.128 7.295 9.909 1.00 0.00 N ATOM 1078 CA ASN A 74 -17.163 6.064 10.693 1.00 0.00 C ATOM 1079 C ASN A 74 -18.078 6.191 11.908 1.00 0.00 C ATOM 1080 O ASN A 74 -18.941 5.344 12.120 1.00 0.00 O ATOM 1081 CB ASN A 74 -15.744 5.697 11.141 1.00 0.00 C ATOM 1082 CG ASN A 74 -14.765 5.600 9.976 1.00 0.00 C ATOM 1083 OD1 ASN A 74 -14.595 4.539 9.387 1.00 0.00 O ATOM 1084 ND2 ASN A 74 -14.103 6.703 9.632 1.00 0.00 N ATOM 0 H ASN A 74 -17.075 8.143 10.473 1.00 0.00 H new ATOM 0 HA ASN A 74 -17.566 5.274 10.059 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.386 6.444 11.849 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.769 4.744 11.669 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.435 6.678 8.861 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.264 7.573 10.139 1.00 0.00 H new ATOM 1091 N MET A 75 -17.853 7.218 12.737 1.00 0.00 N ATOM 1092 CA MET A 75 -18.564 7.465 13.991 1.00 0.00 C ATOM 1093 C MET A 75 -18.471 6.279 14.965 1.00 0.00 C ATOM 1094 O MET A 75 -19.266 6.158 15.898 1.00 0.00 O ATOM 1095 CB MET A 75 -20.018 7.878 13.707 1.00 0.00 C ATOM 1096 CG MET A 75 -20.083 9.098 12.780 1.00 0.00 C ATOM 1097 SD MET A 75 -21.744 9.695 12.374 1.00 0.00 S ATOM 1098 CE MET A 75 -22.339 8.342 11.335 1.00 0.00 C ATOM 0 H MET A 75 -17.143 7.924 12.543 1.00 0.00 H new ATOM 0 HA MET A 75 -18.071 8.296 14.496 1.00 0.00 H new ATOM 0 HB2 MET A 75 -20.552 7.044 13.251 1.00 0.00 H new ATOM 0 HB3 MET A 75 -20.523 8.105 14.646 1.00 0.00 H new ATOM 0 HG2 MET A 75 -19.528 9.913 13.245 1.00 0.00 H new ATOM 0 HG3 MET A 75 -19.569 8.852 11.851 1.00 0.00 H new ATOM 0 HE1 MET A 75 -23.310 8.605 10.916 1.00 0.00 H new ATOM 0 HE2 MET A 75 -21.630 8.166 10.526 1.00 0.00 H new ATOM 0 HE3 MET A 75 -22.436 7.438 11.936 1.00 0.00 H new ATOM 1108 N ASP A 76 -17.475 5.410 14.782 1.00 0.00 N ATOM 1109 CA ASP A 76 -17.314 4.189 15.552 1.00 0.00 C ATOM 1110 C ASP A 76 -16.646 4.513 16.888 1.00 0.00 C ATOM 1111 O ASP A 76 -15.466 4.241 17.101 1.00 0.00 O ATOM 1112 CB ASP A 76 -16.557 3.144 14.721 1.00 0.00 C ATOM 1113 CG ASP A 76 -15.119 3.537 14.401 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -14.907 4.704 13.999 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -14.257 2.650 14.560 1.00 0.00 O ATOM 0 H ASP A 76 -16.747 5.544 14.080 1.00 0.00 H new ATOM 0 HA ASP A 76 -18.284 3.749 15.786 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -16.554 2.197 15.261 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -17.094 2.977 13.788 1.00 0.00 H new ATOM 1120 N PHE A 77 -17.408 5.140 17.784 1.00 0.00 N ATOM 1121 CA PHE A 77 -17.016 5.471 19.152 1.00 0.00 C ATOM 1122 C PHE A 77 -16.070 6.672 19.222 1.00 0.00 C ATOM 1123 O PHE A 77 -16.247 7.513 20.095 1.00 0.00 O ATOM 1124 CB PHE A 77 -16.426 4.269 19.905 1.00 0.00 C ATOM 1125 CG PHE A 77 -17.212 2.979 19.770 1.00 0.00 C ATOM 1126 CD1 PHE A 77 -18.492 2.873 20.346 1.00 0.00 C ATOM 1127 CD2 PHE A 77 -16.681 1.895 19.045 1.00 0.00 C ATOM 1128 CE1 PHE A 77 -19.239 1.693 20.193 1.00 0.00 C ATOM 1129 CE2 PHE A 77 -17.426 0.714 18.895 1.00 0.00 C ATOM 1130 CZ PHE A 77 -18.706 0.613 19.468 1.00 0.00 C ATOM 0 H PHE A 77 -18.357 5.444 17.566 1.00 0.00 H new ATOM 0 HA PHE A 77 -17.940 5.753 19.656 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -15.411 4.098 19.547 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -16.352 4.523 20.962 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -18.901 3.701 20.907 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -15.698 1.972 18.603 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -20.223 1.616 20.632 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -17.016 -0.116 18.340 1.00 0.00 H new ATOM 0 HZ PHE A 77 -19.280 -0.294 19.351 1.00 0.00 H new ATOM 1140 N ILE A 78 -15.078 6.740 18.324 1.00 0.00 N ATOM 1141 CA ILE A 78 -14.066 7.793 18.281 1.00 0.00 C ATOM 1142 C ILE A 78 -13.227 7.674 19.556 1.00 0.00 C ATOM 1143 O ILE A 78 -13.361 8.468 20.484 1.00 0.00 O ATOM 1144 CB ILE A 78 -14.695 9.190 18.048 1.00 0.00 C ATOM 1145 CG1 ILE A 78 -15.520 9.176 16.744 1.00 0.00 C ATOM 1146 CG2 ILE A 78 -13.620 10.288 17.988 1.00 0.00 C ATOM 1147 CD1 ILE A 78 -16.339 10.454 16.535 1.00 0.00 C ATOM 0 H ILE A 78 -14.958 6.043 17.589 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.404 7.669 17.424 1.00 0.00 H new ATOM 0 HB ILE A 78 -15.349 9.416 18.890 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -14.847 9.041 15.897 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -16.193 8.319 16.756 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -14.096 11.255 17.824 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -13.069 10.310 18.928 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -12.931 10.079 17.169 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.896 10.381 15.601 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -17.036 10.579 17.364 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.669 11.313 16.491 1.00 0.00 H new ATOM 1159 N TYR A 79 -12.369 6.651 19.600 1.00 0.00 N ATOM 1160 CA TYR A 79 -11.561 6.309 20.759 1.00 0.00 C ATOM 1161 C TYR A 79 -10.088 6.197 20.345 1.00 0.00 C ATOM 1162 O TYR A 79 -9.665 5.124 19.917 1.00 0.00 O ATOM 1163 CB TYR A 79 -12.027 4.972 21.362 1.00 0.00 C ATOM 1164 CG TYR A 79 -13.382 4.889 22.048 1.00 0.00 C ATOM 1165 CD1 TYR A 79 -13.995 6.021 22.624 1.00 0.00 C ATOM 1166 CD2 TYR A 79 -13.897 3.611 22.337 1.00 0.00 C ATOM 1167 CE1 TYR A 79 -15.101 5.872 23.477 1.00 0.00 C ATOM 1168 CE2 TYR A 79 -14.979 3.461 23.223 1.00 0.00 C ATOM 1169 CZ TYR A 79 -15.555 4.591 23.822 1.00 0.00 C ATOM 1170 OH TYR A 79 -16.427 4.440 24.859 1.00 0.00 O ATOM 0 H TYR A 79 -12.218 6.026 18.808 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.674 7.093 21.508 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.021 4.233 20.561 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.275 4.661 22.087 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -13.612 7.008 22.408 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -13.458 2.739 21.875 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -15.602 6.745 23.868 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.366 2.477 23.442 1.00 0.00 H new ATOM 0 HH TYR A 79 -15.989 4.703 25.695 1.00 0.00 H new ATOM 1180 N PRO A 80 -9.305 7.283 20.444 1.00 0.00 N ATOM 1181 CA PRO A 80 -7.858 7.261 20.307 1.00 0.00 C ATOM 1182 C PRO A 80 -7.203 6.082 21.045 1.00 0.00 C ATOM 1183 O PRO A 80 -7.164 6.051 22.273 1.00 0.00 O ATOM 1184 CB PRO A 80 -7.411 8.599 20.898 1.00 0.00 C ATOM 1185 CG PRO A 80 -8.537 9.535 20.460 1.00 0.00 C ATOM 1186 CD PRO A 80 -9.775 8.651 20.626 1.00 0.00 C ATOM 0 HA PRO A 80 -7.558 7.128 19.268 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.317 8.554 21.983 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.444 8.914 20.507 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.589 10.429 21.082 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.411 9.870 19.430 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.223 8.784 21.611 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -10.539 8.904 19.891 1.00 0.00 H new ATOM 1194 N GLY A 81 -6.666 5.115 20.297 1.00 0.00 N ATOM 1195 CA GLY A 81 -6.048 3.923 20.865 1.00 0.00 C ATOM 1196 C GLY A 81 -7.085 2.938 21.415 1.00 0.00 C ATOM 1197 O GLY A 81 -6.782 2.164 22.321 1.00 0.00 O ATOM 0 H GLY A 81 -6.650 5.141 19.277 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.449 3.428 20.101 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.367 4.215 21.665 1.00 0.00 H new ATOM 1201 N THR A 82 -8.287 2.948 20.832 1.00 0.00 N ATOM 1202 CA THR A 82 -9.428 2.102 21.138 1.00 0.00 C ATOM 1203 C THR A 82 -9.769 2.081 22.633 1.00 0.00 C ATOM 1204 O THR A 82 -9.363 2.957 23.394 1.00 0.00 O ATOM 1205 CB THR A 82 -9.302 0.725 20.452 1.00 0.00 C ATOM 1206 OG1 THR A 82 -10.539 0.039 20.515 1.00 0.00 O ATOM 1207 CG2 THR A 82 -8.209 -0.185 21.018 1.00 0.00 C ATOM 0 H THR A 82 -8.496 3.601 20.077 1.00 0.00 H new ATOM 0 HA THR A 82 -10.319 2.549 20.696 1.00 0.00 H new ATOM 0 HB THR A 82 -9.013 0.949 19.425 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.994 0.105 19.649 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.200 -1.127 20.470 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.240 0.303 20.915 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.407 -0.380 22.072 1.00 0.00 H new ATOM 1215 N ARG A 83 -10.573 1.099 23.041 1.00 0.00 N ATOM 1216 CA ARG A 83 -11.018 0.840 24.405 1.00 0.00 C ATOM 1217 C ARG A 83 -11.943 1.928 24.962 1.00 0.00 C ATOM 1218 O ARG A 83 -13.071 1.615 25.337 1.00 0.00 O ATOM 1219 CB ARG A 83 -9.828 0.520 25.327 1.00 0.00 C ATOM 1220 CG ARG A 83 -10.277 -0.135 26.643 1.00 0.00 C ATOM 1221 CD ARG A 83 -10.590 0.881 27.751 1.00 0.00 C ATOM 1222 NE ARG A 83 -11.348 0.260 28.843 1.00 0.00 N ATOM 1223 CZ ARG A 83 -12.675 0.052 28.851 1.00 0.00 C ATOM 1224 NH1 ARG A 83 -13.444 0.382 27.804 1.00 0.00 N ATOM 1225 NH2 ARG A 83 -13.237 -0.500 29.931 1.00 0.00 N ATOM 0 H ARG A 83 -10.954 0.420 22.382 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.642 -0.053 24.370 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.137 -0.145 24.809 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.283 1.438 25.547 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.163 -0.742 26.455 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.495 -0.811 26.990 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.660 1.296 28.140 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.160 1.712 27.336 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.823 -0.039 29.665 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.024 0.802 26.975 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.449 0.213 27.836 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.660 -0.756 30.732 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.243 -0.665 29.954 1.00 0.00 H new ATOM 1239 N ASN A 84 -11.468 3.172 25.091 1.00 0.00 N ATOM 1240 CA ASN A 84 -12.229 4.298 25.632 1.00 0.00 C ATOM 1241 C ASN A 84 -11.547 5.662 25.454 1.00 0.00 C ATOM 1242 O ASN A 84 -12.240 6.607 25.084 1.00 0.00 O ATOM 1243 CB ASN A 84 -12.643 4.095 27.097 1.00 0.00 C ATOM 1244 CG ASN A 84 -13.528 5.245 27.569 1.00 0.00 C ATOM 1245 OD1 ASN A 84 -14.771 5.311 27.098 1.00 0.00 O flip ATOM 1246 ND2 ASN A 84 -13.096 6.072 28.364 1.00 0.00 N flip ATOM 0 H ASN A 84 -10.520 3.427 24.814 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.133 4.316 25.023 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -13.177 3.151 27.202 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.755 4.030 27.726 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.139 5.997 28.709 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.694 6.835 28.681 1.00 0.00 H new ATOM 1253 N PRO A 85 -10.242 5.831 25.744 1.00 0.00 N ATOM 1254 CA PRO A 85 -9.598 7.136 25.667 1.00 0.00 C ATOM 1255 C PRO A 85 -9.652 7.714 24.253 1.00 0.00 C ATOM 1256 O PRO A 85 -9.834 6.910 23.313 1.00 0.00 O ATOM 1257 CB PRO A 85 -8.149 6.926 26.122 1.00 0.00 C ATOM 1258 CG PRO A 85 -8.226 5.651 26.961 1.00 0.00 C ATOM 1259 CD PRO A 85 -9.267 4.849 26.187 1.00 0.00 C ATOM 1260 OXT PRO A 85 -9.490 8.949 24.139 1.00 0.00 O ATOM 0 HA PRO A 85 -10.114 7.857 26.301 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -7.474 6.810 25.274 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.784 7.771 26.706 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.267 5.136 27.016 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.539 5.851 27.986 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.817 4.330 25.341 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.730 4.090 26.817 1.00 0.00 H new TER 1268 PRO A 85