USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 451 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc=-0.00747 USER MOD Single : A 18 GLN : amide:sc= -1.74! C(o=-1.7!,f=-1.7!) USER MOD Single : A 23 SER OG : rot -52:sc= 0.0339 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.481 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 100:sc= 0.278 USER MOD Single : A 35 SER OG : rot -25:sc= 0.0966 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -2.43 K(o=-2.4,f=-6.6!) USER MOD Single : A 53 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.3!) USER MOD Single : A 55 LYS NZ :NH3+ -118:sc=-7.74e-05 (180deg=-0.807) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 64:sc= 0.282 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -105:sc= -0.666 (180deg=-2.6!) USER MOD Single : A 68 GLN : amide:sc=-0.000775 X(o=-0.00077,f=-0.00077) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 180:sc= -0.012 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 -12.404 -4.256 10.468 1.00 0.00 N ATOM 18 CA GLU A 2 -11.749 -5.503 10.028 1.00 0.00 C ATOM 19 C GLU A 2 -10.737 -5.200 8.920 1.00 0.00 C ATOM 20 O GLU A 2 -9.752 -5.904 8.728 1.00 0.00 O ATOM 21 CB GLU A 2 -12.777 -6.529 9.520 1.00 0.00 C ATOM 22 CG GLU A 2 -14.154 -6.494 10.200 1.00 0.00 C ATOM 23 CD GLU A 2 -14.128 -7.004 11.631 1.00 0.00 C ATOM 24 OE1 GLU A 2 -13.425 -8.009 11.869 1.00 0.00 O ATOM 25 OE2 GLU A 2 -14.774 -6.315 12.462 1.00 0.00 O ATOM 0 HA GLU A 2 -11.235 -5.931 10.889 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.918 -6.374 8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.357 -7.527 9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.530 -5.471 10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.854 -7.095 9.620 1.00 0.00 H new ATOM 32 N CYS A 3 -10.914 -4.073 8.221 1.00 0.00 N ATOM 33 CA CYS A 3 -10.019 -3.643 7.148 1.00 0.00 C ATOM 34 C CYS A 3 -8.586 -3.510 7.657 1.00 0.00 C ATOM 35 O CYS A 3 -7.678 -4.172 7.158 1.00 0.00 O ATOM 36 CB CYS A 3 -10.526 -2.327 6.540 1.00 0.00 C ATOM 37 SG CYS A 3 -12.227 -2.554 5.968 1.00 0.00 S ATOM 0 H CYS A 3 -11.689 -3.431 8.388 1.00 0.00 H new ATOM 0 HA CYS A 3 -10.015 -4.401 6.365 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.482 -1.529 7.281 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -9.887 -2.026 5.710 1.00 0.00 H new ATOM 42 N VAL A 4 -8.401 -2.710 8.712 1.00 0.00 N ATOM 43 CA VAL A 4 -7.088 -2.519 9.339 1.00 0.00 C ATOM 44 C VAL A 4 -6.502 -3.839 9.853 1.00 0.00 C ATOM 45 O VAL A 4 -5.293 -4.012 9.864 1.00 0.00 O ATOM 46 CB VAL A 4 -7.180 -1.496 10.485 1.00 0.00 C ATOM 47 CG1 VAL A 4 -7.576 -2.149 11.810 1.00 0.00 C ATOM 48 CG2 VAL A 4 -5.850 -0.782 10.672 1.00 0.00 C ATOM 0 H VAL A 4 -9.152 -2.179 9.154 1.00 0.00 H new ATOM 0 HA VAL A 4 -6.415 -2.135 8.572 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.954 -0.782 10.204 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.628 -1.389 12.589 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.550 -2.627 11.703 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.832 -2.898 12.083 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.935 -0.063 11.487 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.076 -1.511 10.911 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.585 -0.260 9.753 1.00 0.00 H new ATOM 58 N SER A 5 -7.371 -4.783 10.242 1.00 0.00 N ATOM 59 CA SER A 5 -6.971 -6.093 10.748 1.00 0.00 C ATOM 60 C SER A 5 -6.390 -6.956 9.637 1.00 0.00 C ATOM 61 O SER A 5 -5.530 -7.796 9.887 1.00 0.00 O ATOM 62 CB SER A 5 -8.162 -6.822 11.373 1.00 0.00 C ATOM 63 OG SER A 5 -8.622 -6.114 12.506 1.00 0.00 O ATOM 0 H SER A 5 -8.382 -4.651 10.212 1.00 0.00 H new ATOM 0 HA SER A 5 -6.208 -5.926 11.508 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.965 -6.916 10.642 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.871 -7.833 11.659 1.00 0.00 H new ATOM 0 HG SER A 5 -9.385 -6.586 12.899 1.00 0.00 H new ATOM 69 N LYS A 6 -6.818 -6.720 8.391 1.00 0.00 N ATOM 70 CA LYS A 6 -6.281 -7.393 7.215 1.00 0.00 C ATOM 71 C LYS A 6 -5.187 -6.608 6.504 1.00 0.00 C ATOM 72 O LYS A 6 -4.613 -7.133 5.552 1.00 0.00 O ATOM 73 CB LYS A 6 -7.429 -7.697 6.261 1.00 0.00 C ATOM 74 CG LYS A 6 -8.101 -9.034 6.555 1.00 0.00 C ATOM 75 CD LYS A 6 -7.225 -10.244 6.210 1.00 0.00 C ATOM 76 CE LYS A 6 -6.995 -10.352 4.698 1.00 0.00 C ATOM 77 NZ LYS A 6 -6.250 -11.587 4.367 1.00 0.00 N ATOM 0 H LYS A 6 -7.555 -6.048 8.175 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.804 -8.313 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.170 -6.901 6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.054 -7.701 5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.365 -9.075 7.612 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.032 -9.096 5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.266 -10.159 6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.700 -11.155 6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.953 -10.350 4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.440 -9.482 4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.105 -11.640 3.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.327 -11.575 4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.793 -12.415 4.683 1.00 0.00 H new ATOM 91 N GLY A 7 -4.904 -5.397 6.976 1.00 0.00 N ATOM 92 CA GLY A 7 -3.898 -4.535 6.384 1.00 0.00 C ATOM 93 C GLY A 7 -4.432 -3.831 5.146 1.00 0.00 C ATOM 94 O GLY A 7 -3.738 -3.787 4.138 1.00 0.00 O ATOM 0 H GLY A 7 -5.372 -4.988 7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.575 -3.794 7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.021 -5.125 6.119 1.00 0.00 H new ATOM 98 N PHE A 8 -5.672 -3.337 5.190 1.00 0.00 N ATOM 99 CA PHE A 8 -6.289 -2.568 4.113 1.00 0.00 C ATOM 100 C PHE A 8 -6.382 -1.089 4.463 1.00 0.00 C ATOM 101 O PHE A 8 -6.329 -0.715 5.635 1.00 0.00 O ATOM 102 CB PHE A 8 -7.673 -3.133 3.798 1.00 0.00 C ATOM 103 CG PHE A 8 -7.630 -4.532 3.241 1.00 0.00 C ATOM 104 CD1 PHE A 8 -6.860 -4.817 2.101 1.00 0.00 C ATOM 105 CD2 PHE A 8 -8.346 -5.557 3.866 1.00 0.00 C ATOM 106 CE1 PHE A 8 -6.827 -6.114 1.562 1.00 0.00 C ATOM 107 CE2 PHE A 8 -8.287 -6.853 3.342 1.00 0.00 C ATOM 108 CZ PHE A 8 -7.545 -7.142 2.189 1.00 0.00 C ATOM 0 H PHE A 8 -6.286 -3.465 5.994 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.657 -2.655 3.229 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -8.275 -3.129 4.706 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.171 -2.479 3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.287 -4.030 1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.939 -5.351 4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.252 -6.318 0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.825 -7.648 3.837 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.526 -8.145 1.788 1.00 0.00 H new ATOM 118 N GLY A 9 -6.581 -0.259 3.438 1.00 0.00 N ATOM 119 CA GLY A 9 -6.704 1.186 3.597 1.00 0.00 C ATOM 120 C GLY A 9 -8.081 1.688 3.180 1.00 0.00 C ATOM 121 O GLY A 9 -8.672 1.212 2.207 1.00 0.00 O ATOM 0 H GLY A 9 -6.661 -0.574 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.520 1.454 4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.940 1.683 3.000 1.00 0.00 H new ATOM 125 N CYS A 10 -8.599 2.646 3.945 1.00 0.00 N ATOM 126 CA CYS A 10 -9.873 3.282 3.658 1.00 0.00 C ATOM 127 C CYS A 10 -9.732 4.342 2.589 1.00 0.00 C ATOM 128 O CYS A 10 -9.046 5.334 2.814 1.00 0.00 O ATOM 129 CB CYS A 10 -10.426 3.925 4.938 1.00 0.00 C ATOM 130 SG CYS A 10 -10.600 2.795 6.307 1.00 0.00 S ATOM 0 H CYS A 10 -8.141 3.001 4.784 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.558 2.516 3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -9.767 4.740 5.236 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -11.399 4.365 4.719 1.00 0.00 H new ATOM 135 N LEU A 11 -10.396 4.150 1.455 1.00 0.00 N ATOM 136 CA LEU A 11 -10.364 5.102 0.355 1.00 0.00 C ATOM 137 C LEU A 11 -11.757 5.399 -0.172 1.00 0.00 C ATOM 138 O LEU A 11 -12.642 4.583 -0.015 1.00 0.00 O ATOM 139 CB LEU A 11 -9.485 4.539 -0.768 1.00 0.00 C ATOM 140 CG LEU A 11 -7.983 4.620 -0.465 1.00 0.00 C ATOM 141 CD1 LEU A 11 -7.226 3.933 -1.599 1.00 0.00 C ATOM 142 CD2 LEU A 11 -7.531 6.072 -0.292 1.00 0.00 C ATOM 0 H LEU A 11 -10.972 3.328 1.274 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.948 6.040 0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.757 3.498 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.692 5.084 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.769 4.113 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.155 3.980 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.538 2.891 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.444 4.437 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.462 6.097 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.731 6.627 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.077 6.527 0.534 1.00 0.00 H new ATOM 154 N PRO A 12 -11.998 6.563 -0.783 1.00 0.00 N ATOM 155 CA PRO A 12 -13.288 6.924 -1.362 1.00 0.00 C ATOM 156 C PRO A 12 -13.631 6.003 -2.521 1.00 0.00 C ATOM 157 O PRO A 12 -12.770 5.694 -3.326 1.00 0.00 O ATOM 158 CB PRO A 12 -13.139 8.385 -1.785 1.00 0.00 C ATOM 159 CG PRO A 12 -11.644 8.559 -1.996 1.00 0.00 C ATOM 160 CD PRO A 12 -11.005 7.586 -1.020 1.00 0.00 C ATOM 0 HA PRO A 12 -14.114 6.812 -0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.697 8.595 -2.697 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.515 9.062 -1.018 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.360 8.334 -3.024 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.332 9.584 -1.796 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.093 7.158 -1.435 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.729 8.087 -0.092 1.00 0.00 H new ATOM 168 N GLN A 13 -14.903 5.608 -2.657 1.00 0.00 N ATOM 169 CA GLN A 13 -15.370 4.754 -3.763 1.00 0.00 C ATOM 170 C GLN A 13 -14.954 5.277 -5.137 1.00 0.00 C ATOM 171 O GLN A 13 -14.933 4.512 -6.094 1.00 0.00 O ATOM 172 CB GLN A 13 -16.899 4.692 -3.764 1.00 0.00 C ATOM 173 CG GLN A 13 -17.481 4.011 -2.527 1.00 0.00 C ATOM 174 CD GLN A 13 -18.997 4.027 -2.567 1.00 0.00 C ATOM 175 OE1 GLN A 13 -19.637 4.996 -2.216 1.00 0.00 O ATOM 176 NE2 GLN A 13 -19.610 2.961 -3.035 1.00 0.00 N ATOM 0 H GLN A 13 -15.641 5.871 -2.003 1.00 0.00 H new ATOM 0 HA GLN A 13 -14.916 3.777 -3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.296 5.705 -3.832 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -17.233 4.158 -4.654 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -17.125 2.982 -2.471 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.131 4.519 -1.628 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -19.068 2.149 -3.329 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -20.628 2.947 -3.104 1.00 0.00 H new ATOM 185 N SER A 14 -14.729 6.587 -5.240 1.00 0.00 N ATOM 186 CA SER A 14 -14.161 7.224 -6.419 1.00 0.00 C ATOM 187 C SER A 14 -12.690 6.873 -6.657 1.00 0.00 C ATOM 188 O SER A 14 -12.334 6.562 -7.784 1.00 0.00 O ATOM 189 CB SER A 14 -14.327 8.740 -6.307 1.00 0.00 C ATOM 190 OG SER A 14 -13.547 9.293 -5.261 1.00 0.00 O ATOM 0 H SER A 14 -14.942 7.244 -4.489 1.00 0.00 H new ATOM 0 HA SER A 14 -14.708 6.840 -7.280 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.045 9.204 -7.252 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.377 8.976 -6.137 1.00 0.00 H new ATOM 0 HG SER A 14 -13.684 10.263 -5.229 1.00 0.00 H new ATOM 196 N ASP A 15 -11.851 6.937 -5.621 1.00 0.00 N ATOM 197 CA ASP A 15 -10.436 6.549 -5.688 1.00 0.00 C ATOM 198 C ASP A 15 -10.263 5.025 -5.777 1.00 0.00 C ATOM 199 O ASP A 15 -9.374 4.519 -6.452 1.00 0.00 O ATOM 200 CB ASP A 15 -9.699 7.079 -4.451 1.00 0.00 C ATOM 201 CG ASP A 15 -8.197 6.806 -4.455 1.00 0.00 C ATOM 202 OD1 ASP A 15 -7.605 6.781 -5.549 1.00 0.00 O ATOM 203 OD2 ASP A 15 -7.653 6.690 -3.336 1.00 0.00 O ATOM 0 H ASP A 15 -12.137 7.264 -4.698 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.014 6.985 -6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.862 8.154 -4.378 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.137 6.629 -3.560 1.00 0.00 H new ATOM 208 N CYS A 16 -11.141 4.264 -5.118 1.00 0.00 N ATOM 209 CA CYS A 16 -11.070 2.813 -5.136 1.00 0.00 C ATOM 210 C CYS A 16 -11.940 2.209 -6.253 1.00 0.00 C ATOM 211 O CYS A 16 -13.154 2.443 -6.302 1.00 0.00 O ATOM 212 CB CYS A 16 -11.466 2.260 -3.772 1.00 0.00 C ATOM 213 SG CYS A 16 -11.225 0.484 -3.605 1.00 0.00 S ATOM 0 H CYS A 16 -11.911 4.638 -4.564 1.00 0.00 H new ATOM 0 HA CYS A 16 -10.040 2.526 -5.350 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.886 2.769 -3.002 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.515 2.493 -3.587 1.00 0.00 H new ATOM 218 N PRO A 17 -11.371 1.356 -7.115 1.00 0.00 N ATOM 219 CA PRO A 17 -12.114 0.713 -8.187 1.00 0.00 C ATOM 220 C PRO A 17 -13.191 -0.201 -7.621 1.00 0.00 C ATOM 221 O PRO A 17 -12.990 -0.853 -6.600 1.00 0.00 O ATOM 222 CB PRO A 17 -11.069 -0.067 -8.988 1.00 0.00 C ATOM 223 CG PRO A 17 -9.949 -0.326 -7.992 1.00 0.00 C ATOM 224 CD PRO A 17 -10.009 0.864 -7.045 1.00 0.00 C ATOM 0 HA PRO A 17 -12.637 1.432 -8.817 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -11.480 -0.999 -9.376 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.715 0.506 -9.845 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.098 -1.266 -7.460 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.981 -0.391 -8.489 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.752 0.568 -6.028 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.299 1.636 -7.341 1.00 0.00 H new ATOM 232 N GLN A 18 -14.315 -0.322 -8.331 1.00 0.00 N ATOM 233 CA GLN A 18 -15.392 -1.276 -8.012 1.00 0.00 C ATOM 234 C GLN A 18 -14.925 -2.728 -7.869 1.00 0.00 C ATOM 235 O GLN A 18 -15.634 -3.514 -7.257 1.00 0.00 O ATOM 236 CB GLN A 18 -16.528 -1.221 -9.042 1.00 0.00 C ATOM 237 CG GLN A 18 -16.052 -0.940 -10.479 1.00 0.00 C ATOM 238 CD GLN A 18 -16.012 0.555 -10.770 1.00 0.00 C ATOM 239 OE1 GLN A 18 -15.007 1.114 -11.158 1.00 0.00 O ATOM 240 NE2 GLN A 18 -17.088 1.266 -10.510 1.00 0.00 N ATOM 0 H GLN A 18 -14.510 0.245 -9.156 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.755 -0.951 -7.037 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.066 -2.169 -9.026 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -17.237 -0.447 -8.746 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.060 -1.367 -10.625 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.718 -1.432 -11.187 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -17.937 0.805 -10.183 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.073 2.278 -10.635 1.00 0.00 H new ATOM 249 N GLU A 19 -13.756 -3.050 -8.415 1.00 0.00 N ATOM 250 CA GLU A 19 -13.129 -4.362 -8.282 1.00 0.00 C ATOM 251 C GLU A 19 -12.377 -4.512 -6.957 1.00 0.00 C ATOM 252 O GLU A 19 -12.320 -5.597 -6.394 1.00 0.00 O ATOM 253 CB GLU A 19 -12.178 -4.550 -9.473 1.00 0.00 C ATOM 254 CG GLU A 19 -11.354 -5.847 -9.398 1.00 0.00 C ATOM 255 CD GLU A 19 -12.185 -7.105 -9.702 1.00 0.00 C ATOM 256 OE1 GLU A 19 -13.138 -6.993 -10.510 1.00 0.00 O ATOM 257 OE2 GLU A 19 -11.833 -8.175 -9.160 1.00 0.00 O ATOM 0 H GLU A 19 -13.208 -2.395 -8.972 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.901 -5.131 -8.281 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.759 -4.550 -10.396 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.499 -3.699 -9.524 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.526 -5.786 -10.104 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.919 -5.937 -8.403 1.00 0.00 H new ATOM 264 N ALA A 20 -11.823 -3.419 -6.439 1.00 0.00 N ATOM 265 CA ALA A 20 -11.106 -3.442 -5.181 1.00 0.00 C ATOM 266 C ALA A 20 -12.002 -3.224 -3.976 1.00 0.00 C ATOM 267 O ALA A 20 -11.631 -3.578 -2.864 1.00 0.00 O ATOM 268 CB ALA A 20 -10.085 -2.333 -5.200 1.00 0.00 C ATOM 0 H ALA A 20 -11.862 -2.501 -6.881 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.655 -4.430 -5.085 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.532 -2.331 -4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.393 -2.489 -6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.590 -1.375 -5.325 1.00 0.00 H new ATOM 274 N ARG A 21 -13.154 -2.562 -4.157 1.00 0.00 N ATOM 275 CA ARG A 21 -14.124 -2.314 -3.087 1.00 0.00 C ATOM 276 C ARG A 21 -14.361 -3.587 -2.279 1.00 0.00 C ATOM 277 O ARG A 21 -14.868 -4.579 -2.793 1.00 0.00 O ATOM 278 CB ARG A 21 -15.451 -1.831 -3.665 1.00 0.00 C ATOM 279 CG ARG A 21 -15.336 -0.468 -4.348 1.00 0.00 C ATOM 280 CD ARG A 21 -16.726 0.096 -4.606 1.00 0.00 C ATOM 281 NE ARG A 21 -16.687 1.240 -5.534 1.00 0.00 N ATOM 282 CZ ARG A 21 -17.717 1.681 -6.225 1.00 0.00 C ATOM 283 NH1 ARG A 21 -18.898 1.130 -6.100 1.00 0.00 N ATOM 284 NH2 ARG A 21 -17.590 2.691 -7.034 1.00 0.00 N ATOM 0 H ARG A 21 -13.439 -2.181 -5.059 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.716 -1.542 -2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.817 -2.563 -4.384 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -16.190 -1.771 -2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.766 0.217 -3.720 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.793 -0.566 -5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -17.365 -0.685 -5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -17.173 0.408 -3.662 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.797 1.725 -5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -19.030 0.347 -5.460 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -19.686 1.484 -6.643 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.685 3.150 -7.138 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.395 3.024 -7.564 1.00 0.00 H new ATOM 298 N LEU A 22 -14.022 -3.537 -0.997 1.00 0.00 N ATOM 299 CA LEU A 22 -14.173 -4.663 -0.092 1.00 0.00 C ATOM 300 C LEU A 22 -15.394 -4.454 0.803 1.00 0.00 C ATOM 301 O LEU A 22 -15.988 -3.377 0.866 1.00 0.00 O ATOM 302 CB LEU A 22 -12.898 -4.847 0.747 1.00 0.00 C ATOM 303 CG LEU A 22 -11.583 -4.991 -0.037 1.00 0.00 C ATOM 304 CD1 LEU A 22 -10.385 -4.968 0.917 1.00 0.00 C ATOM 305 CD2 LEU A 22 -11.592 -6.271 -0.882 1.00 0.00 C ATOM 0 H LEU A 22 -13.631 -2.705 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.327 -5.571 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.804 -3.994 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.023 -5.732 1.371 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.491 -4.144 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.463 -5.071 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.371 -4.024 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.467 -5.793 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.652 -6.353 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.709 -7.137 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.421 -6.234 -1.589 1.00 0.00 H new ATOM 317 N SER A 23 -15.703 -5.472 1.601 1.00 0.00 N ATOM 318 CA SER A 23 -16.817 -5.452 2.549 1.00 0.00 C ATOM 319 C SER A 23 -16.358 -5.847 3.945 1.00 0.00 C ATOM 320 O SER A 23 -17.100 -6.427 4.723 1.00 0.00 O ATOM 321 CB SER A 23 -17.947 -6.348 2.043 1.00 0.00 C ATOM 322 OG SER A 23 -19.173 -5.990 2.646 1.00 0.00 O ATOM 0 H SER A 23 -15.180 -6.348 1.609 1.00 0.00 H new ATOM 0 HA SER A 23 -17.200 -4.434 2.622 1.00 0.00 H new ATOM 0 HB2 SER A 23 -18.029 -6.262 0.960 1.00 0.00 H new ATOM 0 HB3 SER A 23 -17.718 -7.391 2.263 1.00 0.00 H new ATOM 0 HG SER A 23 -19.064 -5.967 3.620 1.00 0.00 H new ATOM 328 N TYR A 24 -15.110 -5.528 4.288 1.00 0.00 N ATOM 329 CA TYR A 24 -14.598 -5.813 5.626 1.00 0.00 C ATOM 330 C TYR A 24 -15.260 -4.942 6.691 1.00 0.00 C ATOM 331 O TYR A 24 -15.165 -5.253 7.857 1.00 0.00 O ATOM 332 CB TYR A 24 -13.088 -5.607 5.633 1.00 0.00 C ATOM 333 CG TYR A 24 -12.311 -6.772 5.104 1.00 0.00 C ATOM 334 CD1 TYR A 24 -12.065 -7.888 5.917 1.00 0.00 C ATOM 335 CD2 TYR A 24 -11.854 -6.739 3.781 1.00 0.00 C ATOM 336 CE1 TYR A 24 -11.371 -8.986 5.388 1.00 0.00 C ATOM 337 CE2 TYR A 24 -11.172 -7.838 3.240 1.00 0.00 C ATOM 338 CZ TYR A 24 -10.918 -8.965 4.052 1.00 0.00 C ATOM 339 OH TYR A 24 -10.179 -9.997 3.565 1.00 0.00 O ATOM 0 H TYR A 24 -14.441 -5.076 3.664 1.00 0.00 H new ATOM 0 HA TYR A 24 -14.836 -6.848 5.872 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -12.849 -4.725 5.039 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -12.765 -5.401 6.653 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.407 -7.902 6.941 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.028 -5.863 3.174 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -11.183 -9.851 6.006 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.844 -7.823 2.211 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.951 -9.822 2.628 1.00 0.00 H new ATOM 349 N GLY A 25 -15.910 -3.836 6.327 1.00 0.00 N ATOM 350 CA GLY A 25 -16.596 -2.973 7.285 1.00 0.00 C ATOM 351 C GLY A 25 -15.619 -2.327 8.272 1.00 0.00 C ATOM 352 O GLY A 25 -15.294 -2.818 9.357 1.00 0.00 O ATOM 0 H GLY A 25 -15.975 -3.515 5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.139 -2.194 6.749 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.335 -3.556 7.835 1.00 0.00 H new ATOM 356 N GLY A 26 -15.089 -1.177 7.882 1.00 0.00 N ATOM 357 CA GLY A 26 -14.131 -0.470 8.722 1.00 0.00 C ATOM 358 C GLY A 26 -13.565 0.775 8.080 1.00 0.00 C ATOM 359 O GLY A 26 -12.452 1.153 8.421 1.00 0.00 O ATOM 0 H GLY A 26 -15.303 -0.716 6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.615 -0.197 9.660 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.312 -1.145 8.971 1.00 0.00 H new ATOM 363 N CYS A 27 -14.310 1.380 7.156 1.00 0.00 N ATOM 364 CA CYS A 27 -13.913 2.609 6.485 1.00 0.00 C ATOM 365 C CYS A 27 -15.072 3.575 6.368 1.00 0.00 C ATOM 366 O CYS A 27 -16.214 3.149 6.234 1.00 0.00 O ATOM 367 CB CYS A 27 -13.348 2.281 5.111 1.00 0.00 C ATOM 368 SG CYS A 27 -11.722 1.515 5.283 1.00 0.00 S ATOM 0 H CYS A 27 -15.216 1.024 6.851 1.00 0.00 H new ATOM 0 HA CYS A 27 -13.143 3.095 7.084 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -14.023 1.608 4.582 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -13.270 3.189 4.514 1.00 0.00 H new ATOM 373 N SER A 28 -14.747 4.868 6.374 1.00 0.00 N ATOM 374 CA SER A 28 -15.752 5.926 6.251 1.00 0.00 C ATOM 375 C SER A 28 -16.491 5.837 4.916 1.00 0.00 C ATOM 376 O SER A 28 -17.705 5.968 4.869 1.00 0.00 O ATOM 377 CB SER A 28 -15.092 7.299 6.384 1.00 0.00 C ATOM 378 OG SER A 28 -14.427 7.416 7.628 1.00 0.00 O ATOM 0 H SER A 28 -13.790 5.210 6.463 1.00 0.00 H new ATOM 0 HA SER A 28 -16.477 5.792 7.054 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.381 7.447 5.571 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.846 8.081 6.294 1.00 0.00 H new ATOM 0 HG SER A 28 -14.010 8.300 7.694 1.00 0.00 H new ATOM 384 N THR A 29 -15.756 5.586 3.832 1.00 0.00 N ATOM 385 CA THR A 29 -16.315 5.501 2.481 1.00 0.00 C ATOM 386 C THR A 29 -16.327 4.049 2.004 1.00 0.00 C ATOM 387 O THR A 29 -17.374 3.414 1.974 1.00 0.00 O ATOM 388 CB THR A 29 -15.520 6.397 1.529 1.00 0.00 C ATOM 389 OG1 THR A 29 -14.162 6.068 1.671 1.00 0.00 O ATOM 390 CG2 THR A 29 -15.519 7.871 1.895 1.00 0.00 C ATOM 0 H THR A 29 -14.748 5.435 3.867 1.00 0.00 H new ATOM 0 HA THR A 29 -17.346 5.855 2.495 1.00 0.00 H new ATOM 0 HB THR A 29 -15.975 6.244 0.550 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.889 5.479 0.936 1.00 0.00 H new ATOM 0 HG21 THR A 29 -14.931 8.427 1.165 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.543 8.246 1.898 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.083 8.000 2.885 1.00 0.00 H new ATOM 398 N VAL A 30 -15.168 3.502 1.630 1.00 0.00 N ATOM 399 CA VAL A 30 -15.003 2.129 1.171 1.00 0.00 C ATOM 400 C VAL A 30 -13.600 1.604 1.497 1.00 0.00 C ATOM 401 O VAL A 30 -12.602 2.318 1.488 1.00 0.00 O ATOM 402 CB VAL A 30 -15.345 2.025 -0.324 1.00 0.00 C ATOM 403 CG1 VAL A 30 -14.329 2.691 -1.235 1.00 0.00 C ATOM 404 CG2 VAL A 30 -15.515 0.583 -0.766 1.00 0.00 C ATOM 0 H VAL A 30 -14.292 4.024 1.640 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.702 1.487 1.708 1.00 0.00 H new ATOM 0 HB VAL A 30 -16.288 2.562 -0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -14.640 2.575 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -14.263 3.752 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.354 2.225 -1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -15.756 0.554 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.589 0.037 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -16.323 0.121 -0.198 1.00 0.00 H new ATOM 414 N CYS A 31 -13.506 0.329 1.844 1.00 0.00 N ATOM 415 CA CYS A 31 -12.216 -0.328 2.036 1.00 0.00 C ATOM 416 C CYS A 31 -11.640 -0.768 0.689 1.00 0.00 C ATOM 417 O CYS A 31 -12.298 -1.526 -0.017 1.00 0.00 O ATOM 418 CB CYS A 31 -12.405 -1.540 2.967 1.00 0.00 C ATOM 419 SG CYS A 31 -12.815 -1.145 4.679 1.00 0.00 S ATOM 0 H CYS A 31 -14.312 -0.277 2.000 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.513 0.370 2.491 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.195 -2.171 2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.489 -2.130 2.958 1.00 0.00 H new ATOM 424 N CYS A 32 -10.423 -0.335 0.359 1.00 0.00 N ATOM 425 CA CYS A 32 -9.707 -0.777 -0.833 1.00 0.00 C ATOM 426 C CYS A 32 -8.605 -1.780 -0.483 1.00 0.00 C ATOM 427 O CYS A 32 -7.913 -1.674 0.540 1.00 0.00 O ATOM 428 CB CYS A 32 -9.121 0.447 -1.540 1.00 0.00 C ATOM 429 SG CYS A 32 -9.214 0.357 -3.327 1.00 0.00 S ATOM 0 H CYS A 32 -9.903 0.340 0.920 1.00 0.00 H new ATOM 0 HA CYS A 32 -10.404 -1.287 -1.498 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.649 1.339 -1.202 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.078 0.562 -1.244 1.00 0.00 H new ATOM 434 N ASP A 33 -8.423 -2.762 -1.351 1.00 0.00 N ATOM 435 CA ASP A 33 -7.401 -3.783 -1.217 1.00 0.00 C ATOM 436 C ASP A 33 -6.014 -3.332 -1.685 1.00 0.00 C ATOM 437 O ASP A 33 -5.609 -3.430 -2.839 1.00 0.00 O ATOM 438 CB ASP A 33 -7.818 -5.085 -1.881 1.00 0.00 C ATOM 439 CG ASP A 33 -8.560 -4.888 -3.187 1.00 0.00 C ATOM 440 OD1 ASP A 33 -8.155 -3.990 -3.933 1.00 0.00 O ATOM 441 OD2 ASP A 33 -9.458 -5.710 -3.435 1.00 0.00 O ATOM 0 H ASP A 33 -8.996 -2.872 -2.187 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.307 -3.965 -0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.930 -5.690 -2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.451 -5.647 -1.194 1.00 0.00 H new ATOM 446 N LEU A 34 -5.157 -2.975 -0.736 1.00 0.00 N ATOM 447 CA LEU A 34 -3.825 -2.501 -1.085 1.00 0.00 C ATOM 448 C LEU A 34 -2.989 -3.595 -1.725 1.00 0.00 C ATOM 449 O LEU A 34 -2.127 -3.257 -2.517 1.00 0.00 O ATOM 450 CB LEU A 34 -3.097 -2.006 0.154 1.00 0.00 C ATOM 451 CG LEU A 34 -3.857 -0.912 0.920 1.00 0.00 C ATOM 452 CD1 LEU A 34 -3.446 -0.974 2.380 1.00 0.00 C ATOM 453 CD2 LEU A 34 -3.577 0.480 0.366 1.00 0.00 C ATOM 0 H LEU A 34 -5.356 -3.004 0.264 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.955 -1.688 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.920 -2.849 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.120 -1.621 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.926 -1.093 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.976 -0.204 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.695 -1.954 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.372 -0.809 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.136 1.219 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.511 0.694 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.884 0.524 -0.679 1.00 0.00 H new ATOM 465 N SER A 35 -3.257 -4.868 -1.399 1.00 0.00 N ATOM 466 CA SER A 35 -2.577 -6.030 -1.979 1.00 0.00 C ATOM 467 C SER A 35 -2.951 -6.269 -3.435 1.00 0.00 C ATOM 468 O SER A 35 -2.222 -6.971 -4.129 1.00 0.00 O ATOM 469 CB SER A 35 -2.911 -7.289 -1.165 1.00 0.00 C ATOM 470 OG SER A 35 -2.230 -8.440 -1.639 1.00 0.00 O ATOM 0 H SER A 35 -3.967 -5.121 -0.711 1.00 0.00 H new ATOM 0 HA SER A 35 -1.508 -5.818 -1.943 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.650 -7.122 -0.120 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.986 -7.466 -1.201 1.00 0.00 H new ATOM 0 HG SER A 35 -2.003 -8.319 -2.585 1.00 0.00 H new ATOM 548 N LYS A 41 2.286 -1.034 -0.687 1.00 0.00 N ATOM 549 CA LYS A 41 1.398 -1.100 0.470 1.00 0.00 C ATOM 550 C LYS A 41 0.898 -2.507 0.748 1.00 0.00 C ATOM 551 O LYS A 41 0.748 -2.878 1.903 1.00 0.00 O ATOM 552 CB LYS A 41 0.199 -0.186 0.256 1.00 0.00 C ATOM 553 CG LYS A 41 0.609 1.258 -0.033 1.00 0.00 C ATOM 554 CD LYS A 41 -0.622 2.163 -0.003 1.00 0.00 C ATOM 555 CE LYS A 41 -0.210 3.630 -0.075 1.00 0.00 C ATOM 556 NZ LYS A 41 -1.348 4.496 -0.474 1.00 0.00 N ATOM 0 HA LYS A 41 1.982 -0.777 1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.398 -0.564 -0.574 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.435 -0.210 1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.336 1.594 0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.093 1.320 -1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.278 1.922 -0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.190 1.983 0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.170 3.950 0.895 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.605 3.746 -0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.033 5.486 -0.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.694 4.205 -1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.115 4.404 0.222 1.00 0.00 H new ATOM 570 N GLY A 42 0.612 -3.290 -0.295 1.00 0.00 N ATOM 571 CA GLY A 42 0.176 -4.679 -0.166 1.00 0.00 C ATOM 572 C GLY A 42 1.081 -5.533 0.717 1.00 0.00 C ATOM 573 O GLY A 42 0.599 -6.418 1.418 1.00 0.00 O ATOM 0 H GLY A 42 0.678 -2.972 -1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.834 -4.696 0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.126 -5.127 -1.158 1.00 0.00 H new ATOM 577 N LYS A 43 2.389 -5.269 0.700 1.00 0.00 N ATOM 578 CA LYS A 43 3.396 -5.931 1.536 1.00 0.00 C ATOM 579 C LYS A 43 3.547 -5.286 2.914 1.00 0.00 C ATOM 580 O LYS A 43 4.525 -5.548 3.600 1.00 0.00 O ATOM 581 CB LYS A 43 4.747 -5.991 0.796 1.00 0.00 C ATOM 582 CG LYS A 43 4.645 -6.535 -0.637 1.00 0.00 C ATOM 583 CD LYS A 43 4.239 -8.010 -0.675 1.00 0.00 C ATOM 584 CE LYS A 43 3.448 -8.307 -1.949 1.00 0.00 C ATOM 585 NZ LYS A 43 3.082 -9.740 -2.015 1.00 0.00 N ATOM 0 H LYS A 43 2.792 -4.564 0.083 1.00 0.00 H new ATOM 0 HA LYS A 43 3.045 -6.947 1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.179 -4.991 0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.435 -6.617 1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.917 -5.946 -1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.605 -6.412 -1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.127 -8.640 -0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.636 -8.252 0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.547 -7.695 -1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.041 -8.037 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.545 -9.921 -2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.946 -10.319 -2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.497 -9.987 -1.191 1.00 0.00 H new ATOM 599 N GLY A 44 2.585 -4.455 3.308 1.00 0.00 N ATOM 600 CA GLY A 44 2.616 -3.720 4.564 1.00 0.00 C ATOM 601 C GLY A 44 3.788 -2.745 4.634 1.00 0.00 C ATOM 602 O GLY A 44 4.400 -2.602 5.688 1.00 0.00 O ATOM 0 H GLY A 44 1.749 -4.272 2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.682 -3.171 4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.682 -4.424 5.393 1.00 0.00 H new ATOM 606 N GLY A 45 4.127 -2.115 3.506 1.00 0.00 N ATOM 607 CA GLY A 45 5.205 -1.139 3.431 1.00 0.00 C ATOM 608 C GLY A 45 4.682 0.288 3.292 1.00 0.00 C ATOM 609 O GLY A 45 3.477 0.533 3.184 1.00 0.00 O ATOM 0 H GLY A 45 3.655 -2.273 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.822 -1.212 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.847 -1.373 2.582 1.00 0.00 H new ATOM 613 N GLU A 46 5.611 1.238 3.270 1.00 0.00 N ATOM 614 CA GLU A 46 5.321 2.661 3.118 1.00 0.00 C ATOM 615 C GLU A 46 6.370 3.367 2.250 1.00 0.00 C ATOM 616 O GLU A 46 7.547 2.994 2.189 1.00 0.00 O ATOM 617 CB GLU A 46 5.215 3.294 4.517 1.00 0.00 C ATOM 618 CG GLU A 46 4.873 4.791 4.497 1.00 0.00 C ATOM 619 CD GLU A 46 3.504 5.063 3.852 1.00 0.00 C ATOM 620 OE1 GLU A 46 2.477 4.647 4.431 1.00 0.00 O ATOM 621 OE2 GLU A 46 3.502 5.617 2.725 1.00 0.00 O ATOM 0 H GLU A 46 6.607 1.037 3.359 1.00 0.00 H new ATOM 0 HA GLU A 46 4.372 2.781 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.452 2.764 5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.160 3.154 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.876 5.177 5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.645 5.332 3.949 1.00 0.00 H new ATOM 628 N CYS A 47 5.965 4.449 1.590 1.00 0.00 N ATOM 629 CA CYS A 47 6.880 5.263 0.809 1.00 0.00 C ATOM 630 C CYS A 47 7.913 5.971 1.692 1.00 0.00 C ATOM 631 O CYS A 47 7.575 6.648 2.661 1.00 0.00 O ATOM 632 CB CYS A 47 6.090 6.284 -0.003 1.00 0.00 C ATOM 633 SG CYS A 47 6.909 6.751 -1.551 1.00 0.00 S ATOM 0 H CYS A 47 5.000 4.781 1.584 1.00 0.00 H new ATOM 0 HA CYS A 47 7.428 4.603 0.137 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.105 5.875 -0.229 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.933 7.177 0.602 1.00 0.00 H new ATOM 638 N ASN A 48 9.189 5.831 1.342 1.00 0.00 N ATOM 639 CA ASN A 48 10.298 6.454 2.052 1.00 0.00 C ATOM 640 C ASN A 48 11.178 7.296 1.111 1.00 0.00 C ATOM 641 O ASN A 48 11.328 7.012 -0.083 1.00 0.00 O ATOM 642 CB ASN A 48 11.104 5.387 2.807 1.00 0.00 C ATOM 643 CG ASN A 48 10.458 5.046 4.139 1.00 0.00 C ATOM 644 OD1 ASN A 48 10.985 5.311 5.205 1.00 0.00 O ATOM 645 ND2 ASN A 48 9.278 4.483 4.129 1.00 0.00 N ATOM 0 H ASN A 48 9.484 5.271 0.542 1.00 0.00 H new ATOM 0 HA ASN A 48 9.892 7.150 2.786 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.181 4.487 2.197 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.119 5.746 2.974 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.807 4.270 5.008 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.828 4.257 3.242 1.00 0.00 H new ATOM 652 N PRO A 49 11.761 8.380 1.645 1.00 0.00 N ATOM 653 CA PRO A 49 12.652 9.240 0.880 1.00 0.00 C ATOM 654 C PRO A 49 13.961 8.527 0.556 1.00 0.00 C ATOM 655 O PRO A 49 14.400 7.655 1.296 1.00 0.00 O ATOM 656 CB PRO A 49 12.887 10.466 1.765 1.00 0.00 C ATOM 657 CG PRO A 49 12.646 9.954 3.179 1.00 0.00 C ATOM 658 CD PRO A 49 11.612 8.852 3.013 1.00 0.00 C ATOM 0 HA PRO A 49 12.221 9.517 -0.082 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.899 10.854 1.648 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.204 11.277 1.513 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.565 9.573 3.625 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.280 10.747 3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.780 8.045 3.727 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.605 9.229 3.190 1.00 0.00 H new ATOM 666 N LEU A 50 14.630 8.976 -0.505 1.00 0.00 N ATOM 667 CA LEU A 50 15.944 8.444 -0.891 1.00 0.00 C ATOM 668 C LEU A 50 17.040 8.729 0.137 1.00 0.00 C ATOM 669 O LEU A 50 18.078 8.082 0.130 1.00 0.00 O ATOM 670 CB LEU A 50 16.377 9.021 -2.253 1.00 0.00 C ATOM 671 CG LEU A 50 15.281 9.109 -3.322 1.00 0.00 C ATOM 672 CD1 LEU A 50 15.873 9.479 -4.679 1.00 0.00 C ATOM 673 CD2 LEU A 50 14.548 7.786 -3.465 1.00 0.00 C ATOM 0 H LEU A 50 14.283 9.713 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 50 15.823 7.362 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 50 16.780 10.021 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 50 17.190 8.409 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 50 14.583 9.881 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 50 15.076 9.535 -5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 50 16.371 10.446 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.596 8.720 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.777 7.878 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 50 15.255 7.008 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 50 14.086 7.521 -2.514 1.00 0.00 H new ATOM 685 N ASP A 51 16.789 9.696 1.017 1.00 0.00 N ATOM 686 CA ASP A 51 17.699 10.051 2.103 1.00 0.00 C ATOM 687 C ASP A 51 17.487 9.173 3.344 1.00 0.00 C ATOM 688 O ASP A 51 18.258 9.225 4.305 1.00 0.00 O ATOM 689 CB ASP A 51 17.492 11.529 2.460 1.00 0.00 C ATOM 690 CG ASP A 51 18.084 12.479 1.416 1.00 0.00 C ATOM 691 OD1 ASP A 51 19.163 12.160 0.871 1.00 0.00 O ATOM 692 OD2 ASP A 51 17.430 13.517 1.177 1.00 0.00 O ATOM 0 H ASP A 51 15.940 10.260 0.996 1.00 0.00 H new ATOM 0 HA ASP A 51 18.721 9.882 1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 51 16.425 11.728 2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 51 17.948 11.731 3.429 1.00 0.00 H new ATOM 697 N ARG A 52 16.418 8.368 3.364 1.00 0.00 N ATOM 698 CA ARG A 52 16.136 7.438 4.452 1.00 0.00 C ATOM 699 C ARG A 52 16.715 6.069 4.131 1.00 0.00 C ATOM 700 O ARG A 52 16.428 5.485 3.094 1.00 0.00 O ATOM 701 CB ARG A 52 14.627 7.375 4.677 1.00 0.00 C ATOM 702 CG ARG A 52 14.200 6.301 5.679 1.00 0.00 C ATOM 703 CD ARG A 52 14.345 6.779 7.118 1.00 0.00 C ATOM 704 NE ARG A 52 13.407 7.875 7.431 1.00 0.00 N ATOM 705 CZ ARG A 52 13.429 8.603 8.528 1.00 0.00 C ATOM 706 NH1 ARG A 52 14.326 8.387 9.449 1.00 0.00 N ATOM 707 NH2 ARG A 52 12.557 9.551 8.716 1.00 0.00 N ATOM 0 H ARG A 52 15.723 8.347 2.618 1.00 0.00 H new ATOM 0 HA ARG A 52 16.607 7.784 5.372 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.280 8.346 5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.134 7.187 3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.163 6.021 5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.804 5.406 5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 52 14.168 5.945 7.797 1.00 0.00 H new ATOM 0 HD3 ARG A 52 15.367 7.117 7.287 1.00 0.00 H new ATOM 0 HE ARG A 52 12.684 8.085 6.743 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.019 7.649 9.323 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.335 8.956 10.295 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.846 9.737 8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.585 10.108 9.570 1.00 0.00 H new ATOM 721 N GLN A 53 17.434 5.512 5.099 1.00 0.00 N ATOM 722 CA GLN A 53 17.966 4.160 5.001 1.00 0.00 C ATOM 723 C GLN A 53 16.890 3.120 5.291 1.00 0.00 C ATOM 724 O GLN A 53 16.294 3.132 6.371 1.00 0.00 O ATOM 725 CB GLN A 53 19.116 3.967 5.985 1.00 0.00 C ATOM 726 CG GLN A 53 20.241 4.982 5.748 1.00 0.00 C ATOM 727 CD GLN A 53 21.613 4.457 6.151 1.00 0.00 C ATOM 728 OE1 GLN A 53 21.900 3.272 6.192 1.00 0.00 O ATOM 729 NE2 GLN A 53 22.524 5.342 6.473 1.00 0.00 N ATOM 0 H GLN A 53 17.664 5.985 5.973 1.00 0.00 H new ATOM 0 HA GLN A 53 18.325 4.025 3.981 1.00 0.00 H new ATOM 0 HB2 GLN A 53 18.744 4.068 7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 53 19.512 2.956 5.889 1.00 0.00 H new ATOM 0 HG2 GLN A 53 20.259 5.256 4.693 1.00 0.00 H new ATOM 0 HG3 GLN A 53 20.027 5.891 6.310 1.00 0.00 H new ATOM 0 HE21 GLN A 53 22.301 6.337 6.444 1.00 0.00 H new ATOM 0 HE22 GLN A 53 23.456 5.036 6.752 1.00 0.00 H new ATOM 738 N CYS A 54 16.639 2.231 4.338 1.00 0.00 N ATOM 739 CA CYS A 54 15.694 1.130 4.481 1.00 0.00 C ATOM 740 C CYS A 54 15.859 0.145 3.326 1.00 0.00 C ATOM 741 O CYS A 54 16.672 0.384 2.451 1.00 0.00 O ATOM 742 CB CYS A 54 14.268 1.683 4.537 1.00 0.00 C ATOM 743 SG CYS A 54 13.078 0.451 5.126 1.00 0.00 S ATOM 0 H CYS A 54 17.095 2.255 3.426 1.00 0.00 H new ATOM 0 HA CYS A 54 15.893 0.595 5.409 1.00 0.00 H new ATOM 0 HB2 CYS A 54 14.243 2.553 5.194 1.00 0.00 H new ATOM 0 HB3 CYS A 54 13.973 2.025 3.545 1.00 0.00 H new ATOM 748 N LYS A 55 15.143 -0.982 3.364 1.00 0.00 N ATOM 749 CA LYS A 55 15.078 -1.958 2.277 1.00 0.00 C ATOM 750 C LYS A 55 13.901 -1.671 1.350 1.00 0.00 C ATOM 751 O LYS A 55 12.751 -1.719 1.788 1.00 0.00 O ATOM 752 CB LYS A 55 14.955 -3.355 2.886 1.00 0.00 C ATOM 753 CG LYS A 55 14.708 -4.438 1.825 1.00 0.00 C ATOM 754 CD LYS A 55 14.474 -5.801 2.478 1.00 0.00 C ATOM 755 CE LYS A 55 15.791 -6.557 2.670 1.00 0.00 C ATOM 756 NZ LYS A 55 16.456 -6.191 3.944 1.00 0.00 N ATOM 0 H LYS A 55 14.579 -1.246 4.172 1.00 0.00 H new ATOM 0 HA LYS A 55 15.986 -1.893 1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.867 -3.590 3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.137 -3.363 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.843 -4.168 1.219 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.564 -4.495 1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.985 -5.666 3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.799 -6.392 1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.600 -7.630 2.655 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.459 -6.341 1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.380 -5.759 3.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.863 -5.513 4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.592 -7.045 4.522 1.00 0.00 H new ATOM 770 N GLU A 56 14.203 -1.519 0.073 1.00 0.00 N ATOM 771 CA GLU A 56 13.262 -1.218 -0.989 1.00 0.00 C ATOM 772 C GLU A 56 13.372 -2.239 -2.109 1.00 0.00 C ATOM 773 O GLU A 56 14.456 -2.587 -2.580 1.00 0.00 O ATOM 774 CB GLU A 56 13.444 0.223 -1.513 1.00 0.00 C ATOM 775 CG GLU A 56 14.792 0.540 -2.158 1.00 0.00 C ATOM 776 CD GLU A 56 15.813 1.077 -1.172 1.00 0.00 C ATOM 777 OE1 GLU A 56 16.106 0.336 -0.216 1.00 0.00 O ATOM 778 OE2 GLU A 56 16.299 2.200 -1.430 1.00 0.00 O ATOM 0 H GLU A 56 15.160 -1.607 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 56 12.255 -1.283 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.659 0.424 -2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.291 0.912 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.186 -0.363 -2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.645 1.271 -2.953 1.00 0.00 H new ATOM 785 N LEU A 57 12.228 -2.758 -2.540 1.00 0.00 N ATOM 786 CA LEU A 57 12.217 -3.700 -3.645 1.00 0.00 C ATOM 787 C LEU A 57 12.039 -2.953 -4.957 1.00 0.00 C ATOM 788 O LEU A 57 11.165 -2.104 -5.063 1.00 0.00 O ATOM 789 CB LEU A 57 11.142 -4.756 -3.378 1.00 0.00 C ATOM 790 CG LEU A 57 10.939 -5.784 -4.504 1.00 0.00 C ATOM 791 CD1 LEU A 57 12.268 -6.326 -5.035 1.00 0.00 C ATOM 792 CD2 LEU A 57 10.085 -6.962 -4.028 1.00 0.00 C ATOM 0 H LEU A 57 11.311 -2.545 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 57 13.167 -4.227 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.399 -5.290 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.195 -4.249 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 57 10.427 -5.257 -5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.075 -7.048 -5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.865 -5.504 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.812 -6.813 -4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.958 -7.673 -4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.580 -7.455 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.108 -6.598 -3.709 1.00 0.00 H new ATOM 804 N GLN A 58 12.816 -3.296 -5.982 1.00 0.00 N ATOM 805 CA GLN A 58 12.668 -2.723 -7.322 1.00 0.00 C ATOM 806 C GLN A 58 11.225 -2.791 -7.847 1.00 0.00 C ATOM 807 O GLN A 58 10.744 -1.836 -8.457 1.00 0.00 O ATOM 808 CB GLN A 58 13.632 -3.429 -8.287 1.00 0.00 C ATOM 809 CG GLN A 58 13.127 -4.808 -8.760 1.00 0.00 C ATOM 810 CD GLN A 58 14.244 -5.695 -9.254 1.00 0.00 C ATOM 811 OE1 GLN A 58 14.520 -6.753 -8.721 1.00 0.00 O ATOM 812 NE2 GLN A 58 14.925 -5.276 -10.292 1.00 0.00 N ATOM 0 H GLN A 58 13.568 -3.981 -5.909 1.00 0.00 H new ATOM 0 HA GLN A 58 12.917 -1.664 -7.257 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.794 -2.792 -9.157 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.598 -3.553 -7.798 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.611 -5.304 -7.938 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.397 -4.670 -9.558 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.687 -4.388 -10.733 1.00 0.00 H new ATOM 0 HE22 GLN A 58 15.693 -5.838 -10.659 1.00 0.00 H new ATOM 821 N ALA A 59 10.544 -3.915 -7.589 1.00 0.00 N ATOM 822 CA ALA A 59 9.161 -4.141 -7.983 1.00 0.00 C ATOM 823 C ALA A 59 8.189 -3.243 -7.201 1.00 0.00 C ATOM 824 O ALA A 59 7.096 -2.936 -7.670 1.00 0.00 O ATOM 825 CB ALA A 59 8.816 -5.625 -7.801 1.00 0.00 C ATOM 0 H ALA A 59 10.954 -4.704 -7.090 1.00 0.00 H new ATOM 0 HA ALA A 59 9.052 -3.874 -9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.781 -5.797 -8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.475 -6.231 -8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.947 -5.903 -6.755 1.00 0.00 H new ATOM 831 N GLU A 60 8.621 -2.744 -6.045 1.00 0.00 N ATOM 832 CA GLU A 60 7.834 -1.904 -5.164 1.00 0.00 C ATOM 833 C GLU A 60 8.133 -0.440 -5.422 1.00 0.00 C ATOM 834 O GLU A 60 7.232 0.390 -5.324 1.00 0.00 O ATOM 835 CB GLU A 60 8.133 -2.205 -3.692 1.00 0.00 C ATOM 836 CG GLU A 60 7.241 -3.288 -3.086 1.00 0.00 C ATOM 837 CD GLU A 60 7.652 -4.717 -3.413 1.00 0.00 C ATOM 838 OE1 GLU A 60 7.964 -4.982 -4.590 1.00 0.00 O ATOM 839 OE2 GLU A 60 7.596 -5.552 -2.489 1.00 0.00 O ATOM 0 H GLU A 60 9.560 -2.923 -5.690 1.00 0.00 H new ATOM 0 HA GLU A 60 6.785 -2.117 -5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.175 -2.512 -3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.018 -1.288 -3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.233 -3.167 -2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.219 -3.132 -3.432 1.00 0.00 H new ATOM 846 N SER A 61 9.376 -0.108 -5.785 1.00 0.00 N ATOM 847 CA SER A 61 9.796 1.244 -6.121 1.00 0.00 C ATOM 848 C SER A 61 8.906 1.850 -7.196 1.00 0.00 C ATOM 849 O SER A 61 8.713 3.062 -7.184 1.00 0.00 O ATOM 850 CB SER A 61 11.232 1.267 -6.644 1.00 0.00 C ATOM 851 OG SER A 61 12.140 0.668 -5.743 1.00 0.00 O ATOM 0 H SER A 61 10.130 -0.791 -5.853 1.00 0.00 H new ATOM 0 HA SER A 61 9.722 1.824 -5.201 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.276 0.747 -7.601 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.533 2.298 -6.828 1.00 0.00 H new ATOM 0 HG SER A 61 11.920 -0.281 -5.640 1.00 0.00 H new ATOM 857 N ALA A 62 8.356 1.024 -8.093 1.00 0.00 N ATOM 858 CA ALA A 62 7.399 1.449 -9.108 1.00 0.00 C ATOM 859 C ALA A 62 6.175 2.156 -8.516 1.00 0.00 C ATOM 860 O ALA A 62 5.663 3.077 -9.139 1.00 0.00 O ATOM 861 CB ALA A 62 6.950 0.235 -9.925 1.00 0.00 C ATOM 0 H ALA A 62 8.570 0.027 -8.131 1.00 0.00 H new ATOM 0 HA ALA A 62 7.906 2.173 -9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.235 0.552 -10.684 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.815 -0.218 -10.409 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.480 -0.494 -9.265 1.00 0.00 H new ATOM 867 N SER A 63 5.743 1.763 -7.314 1.00 0.00 N ATOM 868 CA SER A 63 4.622 2.387 -6.610 1.00 0.00 C ATOM 869 C SER A 63 4.864 3.875 -6.389 1.00 0.00 C ATOM 870 O SER A 63 4.057 4.705 -6.789 1.00 0.00 O ATOM 871 CB SER A 63 4.408 1.699 -5.264 1.00 0.00 C ATOM 872 OG SER A 63 3.393 2.306 -4.492 1.00 0.00 O ATOM 0 H SER A 63 6.168 0.993 -6.797 1.00 0.00 H new ATOM 0 HA SER A 63 3.732 2.274 -7.229 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.153 0.653 -5.433 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.342 1.712 -4.702 1.00 0.00 H new ATOM 0 HG SER A 63 3.297 1.826 -3.643 1.00 0.00 H new ATOM 878 N CYS A 64 5.960 4.213 -5.706 1.00 0.00 N ATOM 879 CA CYS A 64 6.309 5.605 -5.450 1.00 0.00 C ATOM 880 C CYS A 64 6.786 6.311 -6.727 1.00 0.00 C ATOM 881 O CYS A 64 6.374 7.428 -7.022 1.00 0.00 O ATOM 882 CB CYS A 64 7.386 5.654 -4.365 1.00 0.00 C ATOM 883 SG CYS A 64 6.884 5.072 -2.719 1.00 0.00 S ATOM 0 H CYS A 64 6.620 3.537 -5.321 1.00 0.00 H new ATOM 0 HA CYS A 64 5.420 6.136 -5.108 1.00 0.00 H new ATOM 0 HB2 CYS A 64 8.235 5.057 -4.697 1.00 0.00 H new ATOM 0 HB3 CYS A 64 7.736 6.682 -4.274 1.00 0.00 H new ATOM 888 N GLY A 65 7.687 5.670 -7.474 1.00 0.00 N ATOM 889 CA GLY A 65 8.226 6.214 -8.711 1.00 0.00 C ATOM 890 C GLY A 65 9.618 6.808 -8.526 1.00 0.00 C ATOM 891 O GLY A 65 10.458 6.342 -7.748 1.00 0.00 O ATOM 0 H GLY A 65 8.062 4.753 -7.232 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.267 5.427 -9.464 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.553 6.983 -9.090 1.00 0.00 H new ATOM 895 N LYS A 66 9.940 7.812 -9.337 1.00 0.00 N ATOM 896 CA LYS A 66 11.228 8.502 -9.249 1.00 0.00 C ATOM 897 C LYS A 66 11.247 9.496 -8.095 1.00 0.00 C ATOM 898 O LYS A 66 10.262 10.157 -7.823 1.00 0.00 O ATOM 899 CB LYS A 66 11.490 9.231 -10.565 1.00 0.00 C ATOM 900 CG LYS A 66 11.869 8.256 -11.690 1.00 0.00 C ATOM 901 CD LYS A 66 13.328 7.782 -11.599 1.00 0.00 C ATOM 902 CE LYS A 66 14.315 8.880 -12.030 1.00 0.00 C ATOM 903 NZ LYS A 66 14.689 9.784 -10.912 1.00 0.00 N ATOM 0 H LYS A 66 9.324 8.169 -10.067 1.00 0.00 H new ATOM 0 HA LYS A 66 12.008 7.764 -9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.601 9.791 -10.854 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.292 9.956 -10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.207 7.391 -11.653 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.708 8.739 -12.654 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.548 7.477 -10.576 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.464 6.903 -12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.215 8.416 -12.434 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.871 9.467 -12.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.200 10.695 -11.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.412 9.351 -10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.717 9.940 -10.921 1.00 0.00 H new ATOM 917 N GLY A 67 12.416 9.639 -7.468 1.00 0.00 N ATOM 918 CA GLY A 67 12.572 10.551 -6.330 1.00 0.00 C ATOM 919 C GLY A 67 12.058 9.976 -5.013 1.00 0.00 C ATOM 920 O GLY A 67 12.165 10.635 -3.991 1.00 0.00 O ATOM 0 H GLY A 67 13.266 9.138 -7.726 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.626 10.804 -6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.042 11.479 -6.543 1.00 0.00 H new ATOM 924 N GLN A 68 11.548 8.742 -5.020 1.00 0.00 N ATOM 925 CA GLN A 68 11.018 8.067 -3.841 1.00 0.00 C ATOM 926 C GLN A 68 11.221 6.558 -3.946 1.00 0.00 C ATOM 927 O GLN A 68 11.266 6.008 -5.049 1.00 0.00 O ATOM 928 CB GLN A 68 9.535 8.394 -3.688 1.00 0.00 C ATOM 929 CG GLN A 68 9.300 9.833 -3.215 1.00 0.00 C ATOM 930 CD GLN A 68 8.042 9.949 -2.374 1.00 0.00 C ATOM 931 OE1 GLN A 68 6.928 9.889 -2.855 1.00 0.00 O ATOM 932 NE2 GLN A 68 8.198 10.084 -1.075 1.00 0.00 N ATOM 0 H GLN A 68 11.493 8.175 -5.866 1.00 0.00 H new ATOM 0 HA GLN A 68 11.556 8.420 -2.961 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.032 8.241 -4.643 1.00 0.00 H new ATOM 0 HB3 GLN A 68 9.085 7.702 -2.976 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.159 10.170 -2.634 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.222 10.492 -4.080 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.136 10.134 -0.676 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.381 10.139 -0.466 1.00 0.00 H new ATOM 941 N LYS A 69 11.393 5.881 -2.809 1.00 0.00 N ATOM 942 CA LYS A 69 11.604 4.427 -2.755 1.00 0.00 C ATOM 943 C LYS A 69 10.691 3.800 -1.713 1.00 0.00 C ATOM 944 O LYS A 69 10.469 4.359 -0.649 1.00 0.00 O ATOM 945 CB LYS A 69 13.074 4.108 -2.440 1.00 0.00 C ATOM 946 CG LYS A 69 14.064 4.637 -3.485 1.00 0.00 C ATOM 947 CD LYS A 69 14.353 3.692 -4.647 1.00 0.00 C ATOM 948 CE LYS A 69 13.392 3.917 -5.809 1.00 0.00 C ATOM 949 NZ LYS A 69 13.828 5.036 -6.667 1.00 0.00 N ATOM 0 H LYS A 69 11.390 6.326 -1.891 1.00 0.00 H new ATOM 0 HA LYS A 69 11.361 4.005 -3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.327 4.531 -1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.191 3.027 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.676 5.573 -3.887 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.004 4.870 -2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.378 3.838 -4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.275 2.660 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.322 3.007 -6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.394 4.122 -5.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.151 5.160 -7.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.871 5.909 -6.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.770 4.828 -7.056 1.00 0.00 H new ATOM 963 N CYS A 70 10.117 2.654 -2.032 1.00 0.00 N ATOM 964 CA CYS A 70 9.233 1.975 -1.086 1.00 0.00 C ATOM 965 C CYS A 70 10.038 1.257 -0.010 1.00 0.00 C ATOM 966 O CYS A 70 10.927 0.507 -0.356 1.00 0.00 O ATOM 967 CB CYS A 70 8.391 0.960 -1.843 1.00 0.00 C ATOM 968 SG CYS A 70 7.049 0.278 -0.835 1.00 0.00 S ATOM 0 H CYS A 70 10.241 2.175 -2.924 1.00 0.00 H new ATOM 0 HA CYS A 70 8.596 2.716 -0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 70 7.970 1.432 -2.730 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.031 0.147 -2.188 1.00 0.00 H new ATOM 0 HG CYS A 70 6.369 -0.578 -1.539 1.00 0.00 H new ATOM 973 N CYS A 71 9.717 1.416 1.264 1.00 0.00 N ATOM 974 CA CYS A 71 10.396 0.724 2.357 1.00 0.00 C ATOM 975 C CYS A 71 9.407 -0.128 3.141 1.00 0.00 C ATOM 976 O CYS A 71 8.228 0.205 3.264 1.00 0.00 O ATOM 977 CB CYS A 71 11.066 1.770 3.232 1.00 0.00 C ATOM 978 SG CYS A 71 11.302 1.385 4.970 1.00 0.00 S ATOM 0 H CYS A 71 8.969 2.036 1.576 1.00 0.00 H new ATOM 0 HA CYS A 71 11.155 0.044 1.971 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.043 1.989 2.802 1.00 0.00 H new ATOM 0 HB3 CYS A 71 10.478 2.685 3.169 1.00 0.00 H new ATOM 983 N VAL A 72 9.901 -1.216 3.718 1.00 0.00 N ATOM 984 CA VAL A 72 9.113 -2.112 4.558 1.00 0.00 C ATOM 985 C VAL A 72 9.817 -2.345 5.888 1.00 0.00 C ATOM 986 O VAL A 72 11.039 -2.509 5.945 1.00 0.00 O ATOM 987 CB VAL A 72 8.839 -3.428 3.813 1.00 0.00 C ATOM 988 CG1 VAL A 72 10.119 -4.256 3.627 1.00 0.00 C ATOM 989 CG2 VAL A 72 7.762 -4.255 4.527 1.00 0.00 C ATOM 0 H VAL A 72 10.874 -1.506 3.615 1.00 0.00 H new ATOM 0 HA VAL A 72 8.150 -1.650 4.776 1.00 0.00 H new ATOM 0 HB VAL A 72 8.469 -3.163 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.882 -5.178 3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.844 -3.681 3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.541 -4.497 4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.589 -5.180 3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.095 -4.490 5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.836 -3.683 4.574 1.00 0.00 H new ATOM 999 N TRP A 73 9.031 -2.404 6.959 1.00 0.00 N ATOM 1000 CA TRP A 73 9.505 -2.719 8.299 1.00 0.00 C ATOM 1001 C TRP A 73 9.032 -4.096 8.764 1.00 0.00 C ATOM 1002 O TRP A 73 8.270 -4.788 8.087 1.00 0.00 O ATOM 1003 CB TRP A 73 9.065 -1.616 9.264 1.00 0.00 C ATOM 1004 CG TRP A 73 9.137 -0.236 8.699 1.00 0.00 C ATOM 1005 CD1 TRP A 73 8.091 0.495 8.248 1.00 0.00 C ATOM 1006 CD2 TRP A 73 10.328 0.564 8.471 1.00 0.00 C ATOM 1007 NE1 TRP A 73 8.556 1.702 7.764 1.00 0.00 N ATOM 1008 CE2 TRP A 73 9.923 1.809 7.913 1.00 0.00 C ATOM 1009 CE3 TRP A 73 11.709 0.359 8.689 1.00 0.00 C ATOM 1010 CZ2 TRP A 73 10.842 2.819 7.604 1.00 0.00 C ATOM 1011 CZ3 TRP A 73 12.643 1.361 8.365 1.00 0.00 C ATOM 1012 CH2 TRP A 73 12.212 2.584 7.819 1.00 0.00 C ATOM 0 H TRP A 73 8.027 -2.230 6.917 1.00 0.00 H new ATOM 0 HA TRP A 73 10.594 -2.762 8.282 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.040 -1.813 9.579 1.00 0.00 H new ATOM 0 HB3 TRP A 73 9.688 -1.662 10.158 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.057 0.184 8.264 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.964 2.422 7.349 1.00 0.00 H new ATOM 0 HE3 TRP A 73 12.051 -0.576 9.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.504 3.765 7.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 13.696 1.190 8.536 1.00 0.00 H new ATOM 0 HH2 TRP A 73 12.935 3.345 7.564 1.00 0.00 H new