USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 525 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 NoAdj-H: A 36 HIS HD1 : A 36 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 30 THR OG1 : rot 180:sc= -0.125 USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0349 USER MOD Single : A 5 SER OG : rot 33:sc= 0.423 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -2.11 K(o=-2.1,f=-0.79) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -140:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 137:sc= 0.137 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0591 USER MOD Single : A 46 HIS : no HD1:sc= -7.54! C(o=-7.5!,f=-7.6!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 62 GLN : amide:sc=-0.00529 X(o=-0.0053,f=-0.48) USER MOD Single : A 63 THR OG1 : rot 38:sc= 0.232 USER MOD Single : A 64 GLN : amide:sc= -0.125 K(o=-0.12,f=-2.1!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.659 -0.040 38.604 1.00 0.00 N ATOM 2 CA GLY A 1 -19.375 -0.766 37.380 1.00 0.00 C ATOM 3 C GLY A 1 -17.950 -0.566 36.905 1.00 0.00 C ATOM 4 O GLY A 1 -17.011 -1.100 37.495 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.645 -0.209 38.887 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.021 -0.367 39.358 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.514 0.978 38.446 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.555 -1.829 37.541 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.064 -0.441 36.600 1.00 0.00 H new ATOM 8 N SER A 2 -17.788 0.204 35.833 1.00 0.00 N ATOM 9 CA SER A 2 -16.467 0.468 35.275 1.00 0.00 C ATOM 10 C SER A 2 -15.723 -0.835 34.999 1.00 0.00 C ATOM 11 O SER A 2 -14.527 -0.947 35.267 1.00 0.00 O ATOM 12 CB SER A 2 -15.652 1.342 36.230 1.00 0.00 C ATOM 13 OG SER A 2 -16.086 2.691 36.183 1.00 0.00 O ATOM 0 H SER A 2 -18.555 0.655 35.334 1.00 0.00 H new ATOM 0 HA SER A 2 -16.598 0.998 34.331 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.747 0.961 37.247 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.596 1.287 35.966 1.00 0.00 H new ATOM 0 HG SER A 2 -15.551 3.229 36.803 1.00 0.00 H new ATOM 19 N SER A 3 -16.440 -1.816 34.463 1.00 0.00 N ATOM 20 CA SER A 3 -15.850 -3.114 34.154 1.00 0.00 C ATOM 21 C SER A 3 -15.349 -3.153 32.713 1.00 0.00 C ATOM 22 O SER A 3 -14.237 -3.604 32.443 1.00 0.00 O ATOM 23 CB SER A 3 -16.871 -4.230 34.381 1.00 0.00 C ATOM 24 OG SER A 3 -18.010 -4.055 33.557 1.00 0.00 O ATOM 0 H SER A 3 -17.431 -1.738 34.233 1.00 0.00 H new ATOM 0 HA SER A 3 -15.001 -3.268 34.821 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.411 -5.196 34.171 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.174 -4.242 35.428 1.00 0.00 H new ATOM 0 HG SER A 3 -18.646 -4.782 33.720 1.00 0.00 H new ATOM 30 N GLY A 4 -16.180 -2.677 31.791 1.00 0.00 N ATOM 31 CA GLY A 4 -15.805 -2.667 30.389 1.00 0.00 C ATOM 32 C GLY A 4 -15.576 -4.062 29.840 1.00 0.00 C ATOM 33 O GLY A 4 -15.011 -4.918 30.519 1.00 0.00 O ATOM 0 H GLY A 4 -17.106 -2.298 31.990 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.587 -2.176 29.810 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.897 -2.077 30.263 1.00 0.00 H new ATOM 37 N SER A 5 -16.017 -4.291 28.607 1.00 0.00 N ATOM 38 CA SER A 5 -15.862 -5.593 27.969 1.00 0.00 C ATOM 39 C SER A 5 -15.893 -5.460 26.450 1.00 0.00 C ATOM 40 O SER A 5 -16.194 -4.393 25.914 1.00 0.00 O ATOM 41 CB SER A 5 -16.966 -6.546 28.432 1.00 0.00 C ATOM 42 OG SER A 5 -16.580 -7.242 29.604 1.00 0.00 O ATOM 0 H SER A 5 -16.484 -3.592 28.030 1.00 0.00 H new ATOM 0 HA SER A 5 -14.894 -6.001 28.261 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.880 -5.983 28.624 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.191 -7.259 27.639 1.00 0.00 H new ATOM 0 HG SER A 5 -16.002 -6.669 30.149 1.00 0.00 H new ATOM 48 N SER A 6 -15.579 -6.552 25.760 1.00 0.00 N ATOM 49 CA SER A 6 -15.567 -6.559 24.302 1.00 0.00 C ATOM 50 C SER A 6 -15.357 -7.972 23.767 1.00 0.00 C ATOM 51 O SER A 6 -15.125 -8.909 24.530 1.00 0.00 O ATOM 52 CB SER A 6 -14.468 -5.633 23.776 1.00 0.00 C ATOM 53 OG SER A 6 -13.194 -6.032 24.254 1.00 0.00 O ATOM 0 H SER A 6 -15.329 -7.444 26.188 1.00 0.00 H new ATOM 0 HA SER A 6 -16.534 -6.198 23.953 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.471 -5.643 22.686 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.672 -4.608 24.086 1.00 0.00 H new ATOM 0 HG SER A 6 -12.508 -5.426 23.903 1.00 0.00 H new ATOM 59 N GLY A 7 -15.440 -8.117 22.448 1.00 0.00 N ATOM 60 CA GLY A 7 -15.257 -9.418 21.831 1.00 0.00 C ATOM 61 C GLY A 7 -14.727 -9.319 20.415 1.00 0.00 C ATOM 62 O GLY A 7 -15.243 -8.551 19.604 1.00 0.00 O ATOM 0 H GLY A 7 -15.631 -7.357 21.796 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.567 -10.008 22.433 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.208 -9.950 21.823 1.00 0.00 H new ATOM 66 N ASN A 8 -13.692 -10.098 20.116 1.00 0.00 N ATOM 67 CA ASN A 8 -13.090 -10.093 18.787 1.00 0.00 C ATOM 68 C ASN A 8 -12.095 -11.239 18.637 1.00 0.00 C ATOM 69 O ASN A 8 -11.046 -11.254 19.283 1.00 0.00 O ATOM 70 CB ASN A 8 -12.390 -8.757 18.527 1.00 0.00 C ATOM 71 CG ASN A 8 -11.193 -8.546 19.432 1.00 0.00 C ATOM 72 OD1 ASN A 8 -10.062 -8.415 18.964 1.00 0.00 O ATOM 73 ND2 ASN A 8 -11.436 -8.512 20.737 1.00 0.00 N ATOM 0 H ASN A 8 -13.253 -10.740 20.776 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.885 -10.228 18.054 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.067 -8.715 17.487 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -13.100 -7.943 18.673 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.669 -8.373 21.395 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -12.389 -8.625 21.081 1.00 0.00 H new ATOM 80 N LEU A 9 -12.429 -12.197 17.779 1.00 0.00 N ATOM 81 CA LEU A 9 -11.565 -13.348 17.543 1.00 0.00 C ATOM 82 C LEU A 9 -11.796 -13.925 16.150 1.00 0.00 C ATOM 83 O LEU A 9 -12.822 -13.666 15.522 1.00 0.00 O ATOM 84 CB LEU A 9 -11.813 -14.424 18.601 1.00 0.00 C ATOM 85 CG LEU A 9 -13.278 -14.736 18.909 1.00 0.00 C ATOM 86 CD1 LEU A 9 -13.837 -15.727 17.900 1.00 0.00 C ATOM 87 CD2 LEU A 9 -13.422 -15.275 20.325 1.00 0.00 C ATOM 0 H LEU A 9 -13.292 -12.199 17.235 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.530 -13.014 17.611 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.327 -15.344 18.276 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.326 -14.115 19.526 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.850 -13.811 18.833 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.880 -15.937 18.136 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.769 -15.303 16.898 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.263 -16.652 17.942 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.471 -15.492 20.527 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.837 -16.189 20.428 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.062 -14.531 21.036 1.00 0.00 H new ATOM 99 N SER A 10 -10.835 -14.711 15.673 1.00 0.00 N ATOM 100 CA SER A 10 -10.933 -15.324 14.354 1.00 0.00 C ATOM 101 C SER A 10 -10.263 -16.694 14.341 1.00 0.00 C ATOM 102 O SER A 10 -9.515 -17.040 15.255 1.00 0.00 O ATOM 103 CB SER A 10 -10.293 -14.420 13.299 1.00 0.00 C ATOM 104 OG SER A 10 -11.005 -13.201 13.172 1.00 0.00 O ATOM 0 H SER A 10 -9.980 -14.938 16.181 1.00 0.00 H new ATOM 0 HA SER A 10 -11.989 -15.453 14.118 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.258 -14.214 13.572 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.273 -14.935 12.338 1.00 0.00 H new ATOM 0 HG SER A 10 -10.575 -12.640 12.493 1.00 0.00 H new ATOM 110 N GLU A 11 -10.537 -17.471 13.297 1.00 0.00 N ATOM 111 CA GLU A 11 -9.961 -18.804 13.165 1.00 0.00 C ATOM 112 C GLU A 11 -8.871 -18.822 12.096 1.00 0.00 C ATOM 113 O GLU A 11 -7.908 -19.584 12.189 1.00 0.00 O ATOM 114 CB GLU A 11 -11.049 -19.821 12.816 1.00 0.00 C ATOM 115 CG GLU A 11 -10.508 -21.203 12.491 1.00 0.00 C ATOM 116 CD GLU A 11 -9.678 -21.786 13.618 1.00 0.00 C ATOM 117 OE1 GLU A 11 -9.984 -21.490 14.793 1.00 0.00 O ATOM 118 OE2 GLU A 11 -8.724 -22.536 13.327 1.00 0.00 O ATOM 0 H GLU A 11 -11.154 -17.200 12.531 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.513 -19.075 14.121 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.743 -19.899 13.653 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.618 -19.453 11.963 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.340 -21.873 12.274 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.900 -21.148 11.588 1.00 0.00 H new ATOM 125 N LEU A 12 -9.031 -17.979 11.083 1.00 0.00 N ATOM 126 CA LEU A 12 -8.062 -17.897 9.995 1.00 0.00 C ATOM 127 C LEU A 12 -8.270 -16.628 9.175 1.00 0.00 C ATOM 128 O LEU A 12 -9.403 -16.219 8.919 1.00 0.00 O ATOM 129 CB LEU A 12 -8.175 -19.126 9.092 1.00 0.00 C ATOM 130 CG LEU A 12 -9.310 -19.105 8.068 1.00 0.00 C ATOM 131 CD1 LEU A 12 -8.934 -19.915 6.837 1.00 0.00 C ATOM 132 CD2 LEU A 12 -10.596 -19.635 8.686 1.00 0.00 C ATOM 0 H LEU A 12 -9.822 -17.342 10.992 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.064 -17.865 10.432 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.233 -19.247 8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.299 -20.006 9.724 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.477 -18.073 7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.754 -19.888 6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.039 -19.491 6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.739 -20.948 7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.393 -19.613 7.943 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.442 -20.660 9.023 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.875 -19.012 9.536 1.00 0.00 H new ATOM 144 N THR A 13 -7.168 -16.009 8.762 1.00 0.00 N ATOM 145 CA THR A 13 -7.228 -14.788 7.970 1.00 0.00 C ATOM 146 C THR A 13 -6.105 -14.743 6.941 1.00 0.00 C ATOM 147 O THR A 13 -4.935 -14.970 7.253 1.00 0.00 O ATOM 148 CB THR A 13 -7.142 -13.535 8.861 1.00 0.00 C ATOM 149 OG1 THR A 13 -6.002 -13.624 9.723 1.00 0.00 O ATOM 150 CG2 THR A 13 -8.404 -13.376 9.696 1.00 0.00 C ATOM 0 H THR A 13 -6.223 -16.334 8.964 1.00 0.00 H new ATOM 0 HA THR A 13 -8.189 -14.794 7.455 1.00 0.00 H new ATOM 0 HB THR A 13 -7.041 -12.663 8.214 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.954 -12.823 10.285 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.319 -12.484 10.317 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.267 -13.279 9.037 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.531 -14.251 10.333 1.00 0.00 H new ATOM 158 N PRO A 14 -6.464 -14.445 5.683 1.00 0.00 N ATOM 159 CA PRO A 14 -5.499 -14.362 4.583 1.00 0.00 C ATOM 160 C PRO A 14 -4.576 -13.156 4.710 1.00 0.00 C ATOM 161 O PRO A 14 -4.682 -12.378 5.658 1.00 0.00 O ATOM 162 CB PRO A 14 -6.386 -14.229 3.343 1.00 0.00 C ATOM 163 CG PRO A 14 -7.654 -13.629 3.846 1.00 0.00 C ATOM 164 CD PRO A 14 -7.839 -14.163 5.240 1.00 0.00 C ATOM 0 HA PRO A 14 -4.834 -15.226 4.558 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.920 -13.595 2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.564 -15.199 2.878 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.597 -12.541 3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.495 -13.902 3.208 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.328 -13.435 5.887 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.456 -15.062 5.247 1.00 0.00 H new ATOM 172 N TYR A 15 -3.671 -13.005 3.750 1.00 0.00 N ATOM 173 CA TYR A 15 -2.727 -11.894 3.756 1.00 0.00 C ATOM 174 C TYR A 15 -3.304 -10.685 3.025 1.00 0.00 C ATOM 175 O TYR A 15 -2.598 -9.995 2.290 1.00 0.00 O ATOM 176 CB TYR A 15 -1.407 -12.314 3.106 1.00 0.00 C ATOM 177 CG TYR A 15 -1.521 -12.584 1.623 1.00 0.00 C ATOM 178 CD1 TYR A 15 -1.939 -13.823 1.153 1.00 0.00 C ATOM 179 CD2 TYR A 15 -1.211 -11.601 0.692 1.00 0.00 C ATOM 180 CE1 TYR A 15 -2.044 -14.075 -0.201 1.00 0.00 C ATOM 181 CE2 TYR A 15 -1.314 -11.844 -0.664 1.00 0.00 C ATOM 182 CZ TYR A 15 -1.731 -13.082 -1.106 1.00 0.00 C ATOM 183 OH TYR A 15 -1.834 -13.328 -2.456 1.00 0.00 O ATOM 0 H TYR A 15 -3.571 -13.639 2.957 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.541 -11.615 4.793 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.667 -11.531 3.268 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.036 -13.211 3.603 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.186 -14.602 1.859 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.884 -10.630 1.034 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.369 -15.044 -0.549 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.069 -11.068 -1.374 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.578 -12.525 -2.955 1.00 0.00 H new ATOM 193 N ILE A 16 -4.593 -10.436 3.233 1.00 0.00 N ATOM 194 CA ILE A 16 -5.266 -9.311 2.596 1.00 0.00 C ATOM 195 C ILE A 16 -5.363 -8.120 3.544 1.00 0.00 C ATOM 196 O ILE A 16 -5.193 -6.971 3.134 1.00 0.00 O ATOM 197 CB ILE A 16 -6.681 -9.694 2.125 1.00 0.00 C ATOM 198 CG1 ILE A 16 -6.617 -10.882 1.162 1.00 0.00 C ATOM 199 CG2 ILE A 16 -7.359 -8.504 1.463 1.00 0.00 C ATOM 200 CD1 ILE A 16 -7.924 -11.635 1.044 1.00 0.00 C ATOM 0 H ILE A 16 -5.192 -10.998 3.838 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.666 -9.035 1.729 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.271 -9.986 2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.323 -10.524 0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.840 -11.569 1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.358 -8.791 1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.432 -7.684 2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -6.773 -8.184 0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.805 -12.463 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.210 -12.023 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.700 -10.962 0.680 1.00 0.00 H new ATOM 212 N LEU A 17 -5.634 -8.403 4.813 1.00 0.00 N ATOM 213 CA LEU A 17 -5.752 -7.355 5.822 1.00 0.00 C ATOM 214 C LEU A 17 -4.503 -6.479 5.845 1.00 0.00 C ATOM 215 O LEU A 17 -3.555 -6.710 5.094 1.00 0.00 O ATOM 216 CB LEU A 17 -5.981 -7.972 7.202 1.00 0.00 C ATOM 217 CG LEU A 17 -7.416 -8.395 7.518 1.00 0.00 C ATOM 218 CD1 LEU A 17 -7.464 -9.200 8.808 1.00 0.00 C ATOM 219 CD2 LEU A 17 -8.323 -7.177 7.614 1.00 0.00 C ATOM 0 H LEU A 17 -5.776 -9.349 5.168 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.607 -6.730 5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.336 -8.845 7.299 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.661 -7.254 7.957 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.775 -9.027 6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.493 -9.492 9.016 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.848 -10.093 8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.086 -8.593 9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.340 -7.498 7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.966 -6.519 8.406 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.314 -6.641 6.665 1.00 0.00 H new ATOM 231 N CYS A 18 -4.509 -5.474 6.714 1.00 0.00 N ATOM 232 CA CYS A 18 -3.377 -4.563 6.837 1.00 0.00 C ATOM 233 C CYS A 18 -2.682 -4.739 8.185 1.00 0.00 C ATOM 234 O CYS A 18 -3.218 -5.374 9.093 1.00 0.00 O ATOM 235 CB CYS A 18 -3.840 -3.114 6.675 1.00 0.00 C ATOM 236 SG CYS A 18 -2.485 -1.924 6.422 1.00 0.00 S ATOM 0 H CYS A 18 -5.285 -5.270 7.344 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.665 -4.800 6.046 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.524 -3.055 5.828 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.404 -2.823 7.561 1.00 0.00 H new ATOM 241 N SER A 19 -1.486 -4.171 8.306 1.00 0.00 N ATOM 242 CA SER A 19 -0.716 -4.267 9.541 1.00 0.00 C ATOM 243 C SER A 19 -0.788 -2.963 10.329 1.00 0.00 C ATOM 244 O SER A 19 -0.744 -2.966 11.560 1.00 0.00 O ATOM 245 CB SER A 19 0.742 -4.610 9.232 1.00 0.00 C ATOM 246 OG SER A 19 0.905 -6.002 9.023 1.00 0.00 O ATOM 0 H SER A 19 -1.030 -3.640 7.564 1.00 0.00 H new ATOM 0 HA SER A 19 -1.148 -5.062 10.149 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.067 -4.065 8.345 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.378 -4.286 10.056 1.00 0.00 H new ATOM 0 HG SER A 19 1.740 -6.300 9.440 1.00 0.00 H new ATOM 252 N ILE A 20 -0.898 -1.851 9.611 1.00 0.00 N ATOM 253 CA ILE A 20 -0.977 -0.539 10.242 1.00 0.00 C ATOM 254 C ILE A 20 -2.409 -0.210 10.650 1.00 0.00 C ATOM 255 O ILE A 20 -2.728 -0.139 11.837 1.00 0.00 O ATOM 256 CB ILE A 20 -0.454 0.568 9.307 1.00 0.00 C ATOM 257 CG1 ILE A 20 1.018 0.327 8.969 1.00 0.00 C ATOM 258 CG2 ILE A 20 -0.640 1.935 9.949 1.00 0.00 C ATOM 259 CD1 ILE A 20 1.475 1.040 7.716 1.00 0.00 C ATOM 0 H ILE A 20 -0.934 -1.832 8.592 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.349 -0.579 11.132 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.028 0.543 8.381 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.633 0.653 9.808 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.184 -0.744 8.849 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.266 2.707 9.276 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.699 2.105 10.143 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.089 1.974 10.888 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.528 0.824 7.538 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.885 0.696 6.866 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.341 2.115 7.840 1.00 0.00 H new ATOM 271 N CYS A 21 -3.270 -0.012 9.657 1.00 0.00 N ATOM 272 CA CYS A 21 -4.670 0.307 9.911 1.00 0.00 C ATOM 273 C CYS A 21 -5.504 -0.964 10.037 1.00 0.00 C ATOM 274 O CYS A 21 -6.642 -0.930 10.506 1.00 0.00 O ATOM 275 CB CYS A 21 -5.226 1.186 8.789 1.00 0.00 C ATOM 276 SG CYS A 21 -5.700 0.266 7.290 1.00 0.00 S ATOM 0 H CYS A 21 -3.023 -0.067 8.669 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.727 0.852 10.853 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.097 1.725 9.162 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.478 1.933 8.523 1.00 0.00 H new ATOM 281 N LYS A 22 -4.931 -2.086 9.614 1.00 0.00 N ATOM 282 CA LYS A 22 -5.619 -3.370 9.680 1.00 0.00 C ATOM 283 C LYS A 22 -6.973 -3.298 8.982 1.00 0.00 C ATOM 284 O LYS A 22 -7.967 -3.826 9.478 1.00 0.00 O ATOM 285 CB LYS A 22 -5.807 -3.796 11.137 1.00 0.00 C ATOM 286 CG LYS A 22 -4.504 -4.106 11.854 1.00 0.00 C ATOM 287 CD LYS A 22 -3.944 -2.876 12.549 1.00 0.00 C ATOM 288 CE LYS A 22 -4.748 -2.523 13.791 1.00 0.00 C ATOM 289 NZ LYS A 22 -4.300 -1.239 14.396 1.00 0.00 N ATOM 0 H LYS A 22 -3.991 -2.132 9.221 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.005 -4.110 9.167 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.328 -3.003 11.674 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.448 -4.677 11.169 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.670 -4.895 12.587 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.775 -4.484 11.138 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.905 -3.055 12.826 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.950 -2.032 11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.804 -2.453 13.532 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.652 -3.323 14.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.130 -0.677 14.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.720 -1.435 15.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.736 -0.707 13.703 1.00 0.00 H new ATOM 303 N GLY A 23 -7.004 -2.640 7.826 1.00 0.00 N ATOM 304 CA GLY A 23 -8.241 -2.513 7.078 1.00 0.00 C ATOM 305 C GLY A 23 -8.065 -2.835 5.607 1.00 0.00 C ATOM 306 O GLY A 23 -6.983 -2.651 5.049 1.00 0.00 O ATOM 0 H GLY A 23 -6.195 -2.193 7.395 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.990 -3.179 7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.622 -1.497 7.181 1.00 0.00 H new ATOM 310 N TYR A 24 -9.130 -3.318 4.977 1.00 0.00 N ATOM 311 CA TYR A 24 -9.087 -3.670 3.563 1.00 0.00 C ATOM 312 C TYR A 24 -8.150 -2.741 2.798 1.00 0.00 C ATOM 313 O TYR A 24 -8.127 -1.532 3.032 1.00 0.00 O ATOM 314 CB TYR A 24 -10.490 -3.609 2.958 1.00 0.00 C ATOM 315 CG TYR A 24 -11.248 -4.914 3.050 1.00 0.00 C ATOM 316 CD1 TYR A 24 -11.375 -5.582 4.262 1.00 0.00 C ATOM 317 CD2 TYR A 24 -11.835 -5.480 1.925 1.00 0.00 C ATOM 318 CE1 TYR A 24 -12.065 -6.775 4.350 1.00 0.00 C ATOM 319 CE2 TYR A 24 -12.529 -6.672 2.005 1.00 0.00 C ATOM 320 CZ TYR A 24 -12.641 -7.316 3.220 1.00 0.00 C ATOM 321 OH TYR A 24 -13.329 -8.504 3.303 1.00 0.00 O ATOM 0 H TYR A 24 -10.034 -3.475 5.423 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.707 -4.688 3.480 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -11.061 -2.831 3.464 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.412 -3.317 1.911 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -10.927 -5.161 5.150 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.747 -4.980 0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -12.153 -7.282 5.300 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.981 -7.097 1.121 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.673 -8.745 2.418 1.00 0.00 H new ATOM 331 N LEU A 25 -7.377 -3.314 1.882 1.00 0.00 N ATOM 332 CA LEU A 25 -6.437 -2.539 1.081 1.00 0.00 C ATOM 333 C LEU A 25 -7.134 -1.914 -0.123 1.00 0.00 C ATOM 334 O LEU A 25 -7.841 -2.595 -0.866 1.00 0.00 O ATOM 335 CB LEU A 25 -5.283 -3.427 0.611 1.00 0.00 C ATOM 336 CG LEU A 25 -4.575 -4.237 1.698 1.00 0.00 C ATOM 337 CD1 LEU A 25 -3.902 -5.461 1.097 1.00 0.00 C ATOM 338 CD2 LEU A 25 -3.558 -3.373 2.430 1.00 0.00 C ATOM 0 H LEU A 25 -7.383 -4.313 1.676 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.041 -1.738 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.666 -4.119 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.544 -2.797 0.116 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.321 -4.574 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.403 -6.026 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.652 -6.091 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.167 -5.145 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.064 -3.966 3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.815 -3.006 1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.066 -2.527 2.893 1.00 0.00 H new ATOM 350 N ILE A 26 -6.928 -0.614 -0.311 1.00 0.00 N ATOM 351 CA ILE A 26 -7.534 0.101 -1.426 1.00 0.00 C ATOM 352 C ILE A 26 -6.637 0.060 -2.659 1.00 0.00 C ATOM 353 O ILE A 26 -7.091 -0.251 -3.760 1.00 0.00 O ATOM 354 CB ILE A 26 -7.822 1.570 -1.063 1.00 0.00 C ATOM 355 CG1 ILE A 26 -8.770 1.646 0.135 1.00 0.00 C ATOM 356 CG2 ILE A 26 -8.410 2.306 -2.258 1.00 0.00 C ATOM 357 CD1 ILE A 26 -8.070 1.508 1.469 1.00 0.00 C ATOM 0 H ILE A 26 -6.346 -0.036 0.295 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.476 -0.401 -1.648 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.883 2.052 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.300 2.598 0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.520 0.861 0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.608 3.343 -1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.703 2.277 -3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.341 1.826 -2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.803 1.571 2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.563 0.544 1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.339 2.309 1.581 1.00 0.00 H new ATOM 369 N ASP A 27 -5.361 0.374 -2.465 1.00 0.00 N ATOM 370 CA ASP A 27 -4.398 0.370 -3.560 1.00 0.00 C ATOM 371 C ASP A 27 -3.708 -0.986 -3.673 1.00 0.00 C ATOM 372 O ASP A 27 -3.517 -1.507 -4.771 1.00 0.00 O ATOM 373 CB ASP A 27 -3.356 1.471 -3.355 1.00 0.00 C ATOM 374 CG ASP A 27 -2.704 1.900 -4.655 1.00 0.00 C ATOM 375 OD1 ASP A 27 -2.733 1.111 -5.623 1.00 0.00 O ATOM 376 OD2 ASP A 27 -2.165 3.025 -4.705 1.00 0.00 O ATOM 0 H ASP A 27 -4.969 0.634 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.939 0.560 -4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.831 2.334 -2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.589 1.117 -2.666 1.00 0.00 H new ATOM 381 N ALA A 28 -3.336 -1.551 -2.529 1.00 0.00 N ATOM 382 CA ALA A 28 -2.669 -2.847 -2.499 1.00 0.00 C ATOM 383 C ALA A 28 -1.224 -2.731 -2.973 1.00 0.00 C ATOM 384 O ALA A 28 -0.767 -3.514 -3.807 1.00 0.00 O ATOM 385 CB ALA A 28 -3.427 -3.851 -3.354 1.00 0.00 C ATOM 0 H ALA A 28 -3.485 -1.132 -1.611 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.659 -3.199 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.917 -4.814 -3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.441 -3.964 -2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.467 -3.495 -4.384 1.00 0.00 H new ATOM 391 N THR A 29 -0.507 -1.748 -2.436 1.00 0.00 N ATOM 392 CA THR A 29 0.886 -1.529 -2.805 1.00 0.00 C ATOM 393 C THR A 29 1.809 -2.489 -2.063 1.00 0.00 C ATOM 394 O THR A 29 2.016 -2.361 -0.856 1.00 0.00 O ATOM 395 CB THR A 29 1.324 -0.082 -2.509 1.00 0.00 C ATOM 396 OG1 THR A 29 0.562 0.833 -3.305 1.00 0.00 O ATOM 397 CG2 THR A 29 2.807 0.104 -2.794 1.00 0.00 C ATOM 0 H THR A 29 -0.868 -1.091 -1.744 1.00 0.00 H new ATOM 0 HA THR A 29 0.962 -1.712 -3.877 1.00 0.00 H new ATOM 0 HB THR A 29 1.145 0.119 -1.453 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.845 1.751 -3.110 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.093 1.133 -2.578 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.386 -0.573 -2.166 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.006 -0.115 -3.843 1.00 0.00 H new ATOM 405 N THR A 30 2.364 -3.452 -2.793 1.00 0.00 N ATOM 406 CA THR A 30 3.265 -4.434 -2.205 1.00 0.00 C ATOM 407 C THR A 30 4.720 -4.094 -2.504 1.00 0.00 C ATOM 408 O THR A 30 5.061 -3.720 -3.627 1.00 0.00 O ATOM 409 CB THR A 30 2.964 -5.853 -2.722 1.00 0.00 C ATOM 410 OG1 THR A 30 3.471 -6.828 -1.803 1.00 0.00 O ATOM 411 CG2 THR A 30 3.584 -6.072 -4.094 1.00 0.00 C ATOM 0 H THR A 30 2.205 -3.572 -3.793 1.00 0.00 H new ATOM 0 HA THR A 30 3.103 -4.406 -1.127 1.00 0.00 H new ATOM 0 HB THR A 30 1.883 -5.962 -2.807 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.274 -7.727 -2.139 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.358 -7.081 -4.439 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.174 -5.348 -4.798 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.665 -5.944 -4.030 1.00 0.00 H new ATOM 419 N ILE A 31 5.574 -4.228 -1.495 1.00 0.00 N ATOM 420 CA ILE A 31 6.993 -3.936 -1.652 1.00 0.00 C ATOM 421 C ILE A 31 7.761 -5.171 -2.113 1.00 0.00 C ATOM 422 O ILE A 31 8.236 -5.961 -1.297 1.00 0.00 O ATOM 423 CB ILE A 31 7.611 -3.422 -0.338 1.00 0.00 C ATOM 424 CG1 ILE A 31 6.872 -2.172 0.144 1.00 0.00 C ATOM 425 CG2 ILE A 31 9.092 -3.128 -0.529 1.00 0.00 C ATOM 426 CD1 ILE A 31 6.994 -1.934 1.632 1.00 0.00 C ATOM 0 H ILE A 31 5.308 -4.537 -0.560 1.00 0.00 H new ATOM 0 HA ILE A 31 7.073 -3.157 -2.410 1.00 0.00 H new ATOM 0 HB ILE A 31 7.509 -4.197 0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.260 -1.303 -0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.817 -2.260 -0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.515 -2.766 0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.608 -4.039 -0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.216 -2.368 -1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.446 -1.031 1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.580 -2.786 2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.045 -1.813 1.896 1.00 0.00 H new ATOM 438 N THR A 32 7.879 -5.331 -3.427 1.00 0.00 N ATOM 439 CA THR A 32 8.589 -6.469 -3.998 1.00 0.00 C ATOM 440 C THR A 32 9.714 -6.931 -3.079 1.00 0.00 C ATOM 441 O THR A 32 9.997 -8.125 -2.982 1.00 0.00 O ATOM 442 CB THR A 32 9.177 -6.129 -5.380 1.00 0.00 C ATOM 443 OG1 THR A 32 8.123 -5.814 -6.297 1.00 0.00 O ATOM 444 CG2 THR A 32 9.996 -7.291 -5.921 1.00 0.00 C ATOM 0 H THR A 32 7.492 -4.687 -4.116 1.00 0.00 H new ATOM 0 HA THR A 32 7.861 -7.272 -4.110 1.00 0.00 H new ATOM 0 HB THR A 32 9.832 -5.265 -5.269 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.505 -5.597 -7.173 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.401 -7.027 -6.898 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.815 -7.509 -5.236 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.360 -8.171 -6.018 1.00 0.00 H new ATOM 452 N GLU A 33 10.353 -5.978 -2.407 1.00 0.00 N ATOM 453 CA GLU A 33 11.448 -6.290 -1.496 1.00 0.00 C ATOM 454 C GLU A 33 11.076 -7.447 -0.574 1.00 0.00 C ATOM 455 O GLU A 33 11.817 -8.423 -0.453 1.00 0.00 O ATOM 456 CB GLU A 33 11.816 -5.059 -0.666 1.00 0.00 C ATOM 457 CG GLU A 33 13.263 -5.047 -0.203 1.00 0.00 C ATOM 458 CD GLU A 33 14.214 -4.545 -1.272 1.00 0.00 C ATOM 459 OE1 GLU A 33 14.577 -5.340 -2.164 1.00 0.00 O ATOM 460 OE2 GLU A 33 14.594 -3.357 -1.217 1.00 0.00 O ATOM 0 H GLU A 33 10.131 -4.985 -2.476 1.00 0.00 H new ATOM 0 HA GLU A 33 12.310 -6.588 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.625 -4.163 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 33 11.164 -5.011 0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 33 13.352 -4.417 0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.554 -6.055 0.093 1.00 0.00 H new ATOM 467 N CYS A 34 9.923 -7.330 0.076 1.00 0.00 N ATOM 468 CA CYS A 34 9.451 -8.364 0.989 1.00 0.00 C ATOM 469 C CYS A 34 8.057 -8.844 0.594 1.00 0.00 C ATOM 470 O CYS A 34 7.463 -9.686 1.270 1.00 0.00 O ATOM 471 CB CYS A 34 9.433 -7.837 2.425 1.00 0.00 C ATOM 472 SG CYS A 34 8.915 -6.096 2.571 1.00 0.00 S ATOM 0 H CYS A 34 9.298 -6.529 -0.013 1.00 0.00 H new ATOM 0 HA CYS A 34 10.138 -9.208 0.928 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.761 -8.456 3.020 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.429 -7.946 2.853 1.00 0.00 H new ATOM 477 N LEU A 35 7.541 -8.303 -0.504 1.00 0.00 N ATOM 478 CA LEU A 35 6.216 -8.675 -0.990 1.00 0.00 C ATOM 479 C LEU A 35 5.156 -8.435 0.080 1.00 0.00 C ATOM 480 O LEU A 35 4.322 -9.300 0.347 1.00 0.00 O ATOM 481 CB LEU A 35 6.203 -10.144 -1.417 1.00 0.00 C ATOM 482 CG LEU A 35 6.752 -10.443 -2.813 1.00 0.00 C ATOM 483 CD1 LEU A 35 6.065 -9.572 -3.854 1.00 0.00 C ATOM 484 CD2 LEU A 35 8.259 -10.233 -2.849 1.00 0.00 C ATOM 0 H LEU A 35 8.019 -7.606 -1.075 1.00 0.00 H new ATOM 0 HA LEU A 35 5.983 -8.050 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.780 -10.718 -0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.176 -10.507 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 35 6.545 -11.487 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.468 -9.798 -4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.993 -9.771 -3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.241 -8.521 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.633 -10.450 -3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.488 -9.199 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.736 -10.899 -2.131 1.00 0.00 H new ATOM 496 N HIS A 36 5.193 -7.253 0.687 1.00 0.00 N ATOM 497 CA HIS A 36 4.233 -6.898 1.726 1.00 0.00 C ATOM 498 C HIS A 36 3.326 -5.762 1.263 1.00 0.00 C ATOM 499 O HIS A 36 3.796 -4.671 0.937 1.00 0.00 O ATOM 500 CB HIS A 36 4.963 -6.492 3.007 1.00 0.00 C ATOM 501 CG HIS A 36 5.506 -7.655 3.780 1.00 0.00 C ATOM 502 ND1 HIS A 36 6.714 -7.618 4.445 1.00 0.00 N ATOM 503 CD2 HIS A 36 4.999 -8.891 3.994 1.00 0.00 C ATOM 504 CE1 HIS A 36 6.926 -8.782 5.032 1.00 0.00 C ATOM 505 NE2 HIS A 36 5.900 -9.572 4.774 1.00 0.00 N ATOM 0 H HIS A 36 5.877 -6.526 0.478 1.00 0.00 H new ATOM 0 HA HIS A 36 3.616 -7.773 1.929 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.783 -5.821 2.751 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.279 -5.931 3.643 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.060 -9.271 3.620 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.792 -9.043 5.623 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.794 -10.532 5.101 1.00 0.00 H new ATOM 513 N THR A 37 2.023 -6.025 1.234 1.00 0.00 N ATOM 514 CA THR A 37 1.051 -5.026 0.808 1.00 0.00 C ATOM 515 C THR A 37 0.793 -4.005 1.911 1.00 0.00 C ATOM 516 O THR A 37 0.738 -4.352 3.091 1.00 0.00 O ATOM 517 CB THR A 37 -0.285 -5.678 0.405 1.00 0.00 C ATOM 518 OG1 THR A 37 -0.045 -6.779 -0.479 1.00 0.00 O ATOM 519 CG2 THR A 37 -1.198 -4.668 -0.271 1.00 0.00 C ATOM 0 H THR A 37 1.617 -6.922 1.501 1.00 0.00 H new ATOM 0 HA THR A 37 1.476 -4.521 -0.059 1.00 0.00 H new ATOM 0 HB THR A 37 -0.776 -6.038 1.309 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.899 -7.190 -0.729 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.135 -5.152 -0.546 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.402 -3.846 0.415 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.712 -4.281 -1.167 1.00 0.00 H new ATOM 527 N PHE A 38 0.634 -2.745 1.519 1.00 0.00 N ATOM 528 CA PHE A 38 0.381 -1.673 2.474 1.00 0.00 C ATOM 529 C PHE A 38 -0.390 -0.531 1.820 1.00 0.00 C ATOM 530 O PHE A 38 0.072 0.070 0.850 1.00 0.00 O ATOM 531 CB PHE A 38 1.701 -1.150 3.047 1.00 0.00 C ATOM 532 CG PHE A 38 2.499 -2.199 3.768 1.00 0.00 C ATOM 533 CD1 PHE A 38 2.029 -2.756 4.947 1.00 0.00 C ATOM 534 CD2 PHE A 38 3.717 -2.627 3.268 1.00 0.00 C ATOM 535 CE1 PHE A 38 2.762 -3.720 5.613 1.00 0.00 C ATOM 536 CE2 PHE A 38 4.454 -3.591 3.929 1.00 0.00 C ATOM 537 CZ PHE A 38 3.975 -4.139 5.103 1.00 0.00 C ATOM 0 H PHE A 38 0.676 -2.442 0.546 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.225 -2.078 3.285 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.303 -0.741 2.236 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.490 -0.330 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.080 -2.433 5.349 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.096 -2.202 2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.386 -4.145 6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.403 -3.915 3.528 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.548 -4.894 5.621 1.00 0.00 H new ATOM 547 N CYS A 39 -1.570 -0.238 2.356 1.00 0.00 N ATOM 548 CA CYS A 39 -2.408 0.830 1.825 1.00 0.00 C ATOM 549 C CYS A 39 -1.560 2.024 1.396 1.00 0.00 C ATOM 550 O CYS A 39 -0.702 2.492 2.144 1.00 0.00 O ATOM 551 CB CYS A 39 -3.434 1.269 2.871 1.00 0.00 C ATOM 552 SG CYS A 39 -4.262 -0.110 3.726 1.00 0.00 S ATOM 0 H CYS A 39 -1.968 -0.726 3.159 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.932 0.446 0.950 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.937 1.895 3.612 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.189 1.888 2.386 1.00 0.00 H new ATOM 557 N LYS A 40 -1.807 2.513 0.185 1.00 0.00 N ATOM 558 CA LYS A 40 -1.069 3.653 -0.345 1.00 0.00 C ATOM 559 C LYS A 40 -0.834 4.701 0.738 1.00 0.00 C ATOM 560 O LYS A 40 0.285 5.179 0.920 1.00 0.00 O ATOM 561 CB LYS A 40 -1.829 4.278 -1.518 1.00 0.00 C ATOM 562 CG LYS A 40 -1.230 5.587 -2.002 1.00 0.00 C ATOM 563 CD LYS A 40 -0.063 5.351 -2.947 1.00 0.00 C ATOM 564 CE LYS A 40 0.122 6.517 -3.906 1.00 0.00 C ATOM 565 NZ LYS A 40 -0.864 6.480 -5.021 1.00 0.00 N ATOM 0 H LYS A 40 -2.513 2.137 -0.448 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.101 3.296 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.849 3.569 -2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.863 4.450 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.996 6.174 -2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.894 6.173 -1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.850 5.205 -2.370 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.232 4.435 -3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.019 7.455 -3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.133 6.495 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.705 7.291 -5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.749 5.596 -5.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.828 6.527 -4.634 1.00 0.00 H new ATOM 579 N SER A 41 -1.897 5.052 1.456 1.00 0.00 N ATOM 580 CA SER A 41 -1.806 6.045 2.520 1.00 0.00 C ATOM 581 C SER A 41 -0.995 5.509 3.695 1.00 0.00 C ATOM 582 O SER A 41 -0.196 6.230 4.294 1.00 0.00 O ATOM 583 CB SER A 41 -3.205 6.447 2.991 1.00 0.00 C ATOM 584 OG SER A 41 -3.179 7.699 3.654 1.00 0.00 O ATOM 0 H SER A 41 -2.830 4.664 1.320 1.00 0.00 H new ATOM 0 HA SER A 41 -1.298 6.923 2.122 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.879 6.498 2.136 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.599 5.684 3.663 1.00 0.00 H new ATOM 0 HG SER A 41 -4.085 7.934 3.944 1.00 0.00 H new ATOM 590 N CYS A 42 -1.206 4.238 4.021 1.00 0.00 N ATOM 591 CA CYS A 42 -0.497 3.603 5.125 1.00 0.00 C ATOM 592 C CYS A 42 1.008 3.590 4.869 1.00 0.00 C ATOM 593 O CYS A 42 1.785 4.140 5.650 1.00 0.00 O ATOM 594 CB CYS A 42 -1.003 2.174 5.329 1.00 0.00 C ATOM 595 SG CYS A 42 -2.606 2.069 6.189 1.00 0.00 S ATOM 0 H CYS A 42 -1.863 3.627 3.536 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.689 4.182 6.028 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.092 1.689 4.357 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.260 1.615 5.898 1.00 0.00 H new ATOM 600 N ILE A 43 1.410 2.959 3.771 1.00 0.00 N ATOM 601 CA ILE A 43 2.820 2.876 3.411 1.00 0.00 C ATOM 602 C ILE A 43 3.443 4.264 3.305 1.00 0.00 C ATOM 603 O ILE A 43 4.476 4.540 3.914 1.00 0.00 O ATOM 604 CB ILE A 43 3.017 2.133 2.076 1.00 0.00 C ATOM 605 CG1 ILE A 43 4.500 1.836 1.848 1.00 0.00 C ATOM 606 CG2 ILE A 43 2.452 2.953 0.926 1.00 0.00 C ATOM 607 CD1 ILE A 43 5.054 0.776 2.774 1.00 0.00 C ATOM 0 H ILE A 43 0.779 2.498 3.115 1.00 0.00 H new ATOM 0 HA ILE A 43 3.316 2.318 4.205 1.00 0.00 H new ATOM 0 HB ILE A 43 2.479 1.186 2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.644 1.516 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.071 2.755 1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.599 2.415 -0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.387 3.119 1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.965 3.913 0.877 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.110 0.618 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.943 1.102 3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.509 -0.156 2.627 1.00 0.00 H new ATOM 619 N VAL A 44 2.807 5.134 2.528 1.00 0.00 N ATOM 620 CA VAL A 44 3.297 6.495 2.344 1.00 0.00 C ATOM 621 C VAL A 44 3.449 7.210 3.682 1.00 0.00 C ATOM 622 O VAL A 44 4.432 7.914 3.913 1.00 0.00 O ATOM 623 CB VAL A 44 2.355 7.314 1.441 1.00 0.00 C ATOM 624 CG1 VAL A 44 2.845 8.748 1.318 1.00 0.00 C ATOM 625 CG2 VAL A 44 2.233 6.664 0.071 1.00 0.00 C ATOM 0 H VAL A 44 1.951 4.921 2.016 1.00 0.00 H new ATOM 0 HA VAL A 44 4.272 6.418 1.864 1.00 0.00 H new ATOM 0 HB VAL A 44 1.366 7.332 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.167 9.311 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.875 9.208 2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.845 8.755 0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.564 7.255 -0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.216 6.613 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.831 5.657 0.181 1.00 0.00 H new ATOM 635 N ARG A 45 2.469 7.025 4.560 1.00 0.00 N ATOM 636 CA ARG A 45 2.493 7.653 5.876 1.00 0.00 C ATOM 637 C ARG A 45 3.488 6.951 6.795 1.00 0.00 C ATOM 638 O ARG A 45 4.070 7.570 7.686 1.00 0.00 O ATOM 639 CB ARG A 45 1.098 7.627 6.502 1.00 0.00 C ATOM 640 CG ARG A 45 0.178 8.721 5.986 1.00 0.00 C ATOM 641 CD ARG A 45 -1.121 8.775 6.775 1.00 0.00 C ATOM 642 NE ARG A 45 -2.080 7.772 6.320 1.00 0.00 N ATOM 643 CZ ARG A 45 -3.168 7.433 7.002 1.00 0.00 C ATOM 644 NH1 ARG A 45 -3.436 8.016 8.163 1.00 0.00 N ATOM 645 NH2 ARG A 45 -3.993 6.511 6.523 1.00 0.00 N ATOM 0 H ARG A 45 1.648 6.445 4.384 1.00 0.00 H new ATOM 0 HA ARG A 45 2.808 8.689 5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.640 6.657 6.308 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.193 7.724 7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.684 9.684 6.050 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.042 8.546 4.933 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.909 8.620 7.833 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.562 9.767 6.680 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.905 7.306 5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.806 8.727 8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.272 7.753 8.684 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.792 6.061 5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.828 6.252 7.048 1.00 0.00 H new ATOM 659 N HIS A 46 3.679 5.654 6.572 1.00 0.00 N ATOM 660 CA HIS A 46 4.604 4.867 7.381 1.00 0.00 C ATOM 661 C HIS A 46 6.047 5.288 7.120 1.00 0.00 C ATOM 662 O HIS A 46 6.875 5.301 8.030 1.00 0.00 O ATOM 663 CB HIS A 46 4.433 3.377 7.084 1.00 0.00 C ATOM 664 CG HIS A 46 5.291 2.494 7.938 1.00 0.00 C ATOM 665 ND1 HIS A 46 4.885 2.008 9.162 1.00 0.00 N ATOM 666 CD2 HIS A 46 6.538 2.009 7.737 1.00 0.00 C ATOM 667 CE1 HIS A 46 5.846 1.263 9.678 1.00 0.00 C ATOM 668 NE2 HIS A 46 6.860 1.247 8.833 1.00 0.00 N ATOM 0 H HIS A 46 3.206 5.126 5.838 1.00 0.00 H new ATOM 0 HA HIS A 46 4.376 5.049 8.431 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.388 3.104 7.228 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.668 3.194 6.035 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.164 2.188 6.875 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.808 0.754 10.630 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.740 0.750 8.972 1.00 0.00 H new ATOM 676 N PHE A 47 6.341 5.632 5.870 1.00 0.00 N ATOM 677 CA PHE A 47 7.684 6.052 5.489 1.00 0.00 C ATOM 678 C PHE A 47 8.018 7.416 6.087 1.00 0.00 C ATOM 679 O PHE A 47 9.188 7.774 6.229 1.00 0.00 O ATOM 680 CB PHE A 47 7.811 6.106 3.965 1.00 0.00 C ATOM 681 CG PHE A 47 8.331 4.832 3.361 1.00 0.00 C ATOM 682 CD1 PHE A 47 9.694 4.618 3.229 1.00 0.00 C ATOM 683 CD2 PHE A 47 7.457 3.850 2.925 1.00 0.00 C ATOM 684 CE1 PHE A 47 10.175 3.447 2.675 1.00 0.00 C ATOM 685 CE2 PHE A 47 7.933 2.677 2.370 1.00 0.00 C ATOM 686 CZ PHE A 47 9.293 2.476 2.244 1.00 0.00 C ATOM 0 H PHE A 47 5.667 5.628 5.104 1.00 0.00 H new ATOM 0 HA PHE A 47 8.391 5.321 5.880 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.835 6.331 3.535 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.476 6.926 3.693 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.388 5.375 3.563 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.392 4.002 3.020 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.239 3.291 2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.241 1.918 2.035 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.666 1.561 1.809 1.00 0.00 H new ATOM 696 N TYR A 48 6.983 8.172 6.435 1.00 0.00 N ATOM 697 CA TYR A 48 7.165 9.497 7.014 1.00 0.00 C ATOM 698 C TYR A 48 7.538 9.399 8.491 1.00 0.00 C ATOM 699 O TYR A 48 8.413 10.119 8.971 1.00 0.00 O ATOM 700 CB TYR A 48 5.891 10.327 6.852 1.00 0.00 C ATOM 701 CG TYR A 48 5.765 10.985 5.497 1.00 0.00 C ATOM 702 CD1 TYR A 48 6.788 11.777 4.990 1.00 0.00 C ATOM 703 CD2 TYR A 48 4.623 10.817 4.724 1.00 0.00 C ATOM 704 CE1 TYR A 48 6.678 12.381 3.753 1.00 0.00 C ATOM 705 CE2 TYR A 48 4.505 11.416 3.485 1.00 0.00 C ATOM 706 CZ TYR A 48 5.535 12.197 3.003 1.00 0.00 C ATOM 707 OH TYR A 48 5.420 12.797 1.770 1.00 0.00 O ATOM 0 H TYR A 48 6.009 7.890 6.326 1.00 0.00 H new ATOM 0 HA TYR A 48 7.980 9.989 6.484 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.026 9.685 7.016 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.868 11.096 7.624 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.685 11.923 5.574 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.814 10.208 5.098 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.483 12.994 3.375 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.611 11.274 2.896 1.00 0.00 H new ATOM 0 HH TYR A 48 4.555 12.565 1.373 1.00 0.00 H new ATOM 717 N TYR A 49 6.866 8.503 9.205 1.00 0.00 N ATOM 718 CA TYR A 49 7.124 8.311 10.627 1.00 0.00 C ATOM 719 C TYR A 49 8.307 7.372 10.844 1.00 0.00 C ATOM 720 O TYR A 49 9.169 7.626 11.686 1.00 0.00 O ATOM 721 CB TYR A 49 5.881 7.751 11.321 1.00 0.00 C ATOM 722 CG TYR A 49 4.596 8.425 10.897 1.00 0.00 C ATOM 723 CD1 TYR A 49 4.456 9.805 10.965 1.00 0.00 C ATOM 724 CD2 TYR A 49 3.521 7.680 10.426 1.00 0.00 C ATOM 725 CE1 TYR A 49 3.284 10.425 10.579 1.00 0.00 C ATOM 726 CE2 TYR A 49 2.345 8.291 10.037 1.00 0.00 C ATOM 727 CZ TYR A 49 2.231 9.664 10.115 1.00 0.00 C ATOM 728 OH TYR A 49 1.061 10.277 9.728 1.00 0.00 O ATOM 0 H TYR A 49 6.139 7.898 8.823 1.00 0.00 H new ATOM 0 HA TYR A 49 7.368 9.281 11.060 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.808 6.684 11.112 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.998 7.857 12.399 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.279 10.404 11.326 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.607 6.605 10.363 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.192 11.499 10.640 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.519 7.697 9.674 1.00 0.00 H new ATOM 0 HH TYR A 49 0.421 9.599 9.426 1.00 0.00 H new ATOM 738 N SER A 50 8.342 6.287 10.078 1.00 0.00 N ATOM 739 CA SER A 50 9.417 5.307 10.188 1.00 0.00 C ATOM 740 C SER A 50 9.995 4.980 8.815 1.00 0.00 C ATOM 741 O SER A 50 9.262 4.846 7.836 1.00 0.00 O ATOM 742 CB SER A 50 8.905 4.030 10.856 1.00 0.00 C ATOM 743 OG SER A 50 9.979 3.247 11.348 1.00 0.00 O ATOM 0 H SER A 50 7.638 6.064 9.374 1.00 0.00 H new ATOM 0 HA SER A 50 10.207 5.738 10.803 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.234 4.288 11.675 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.325 3.448 10.140 1.00 0.00 H new ATOM 0 HG SER A 50 9.626 2.437 11.772 1.00 0.00 H new ATOM 749 N ASN A 51 11.317 4.853 8.751 1.00 0.00 N ATOM 750 CA ASN A 51 11.995 4.541 7.498 1.00 0.00 C ATOM 751 C ASN A 51 12.203 3.037 7.351 1.00 0.00 C ATOM 752 O ASN A 51 13.255 2.587 6.898 1.00 0.00 O ATOM 753 CB ASN A 51 13.343 5.262 7.432 1.00 0.00 C ATOM 754 CG ASN A 51 13.249 6.601 6.726 1.00 0.00 C ATOM 755 OD1 ASN A 51 12.418 7.440 7.072 1.00 0.00 O ATOM 756 ND2 ASN A 51 14.103 6.806 5.730 1.00 0.00 N ATOM 0 H ASN A 51 11.939 4.961 9.552 1.00 0.00 H new ATOM 0 HA ASN A 51 11.365 4.884 6.677 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.721 5.413 8.443 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.064 4.631 6.913 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.087 7.688 5.218 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.775 6.082 5.477 1.00 0.00 H new ATOM 763 N ARG A 52 11.191 2.265 7.737 1.00 0.00 N ATOM 764 CA ARG A 52 11.263 0.812 7.648 1.00 0.00 C ATOM 765 C ARG A 52 9.889 0.217 7.353 1.00 0.00 C ATOM 766 O ARG A 52 8.876 0.918 7.389 1.00 0.00 O ATOM 767 CB ARG A 52 11.815 0.227 8.949 1.00 0.00 C ATOM 768 CG ARG A 52 13.320 0.379 9.095 1.00 0.00 C ATOM 769 CD ARG A 52 13.839 -0.364 10.317 1.00 0.00 C ATOM 770 NE ARG A 52 15.022 0.277 10.884 1.00 0.00 N ATOM 771 CZ ARG A 52 15.800 -0.294 11.797 1.00 0.00 C ATOM 772 NH1 ARG A 52 15.522 -1.511 12.243 1.00 0.00 N ATOM 773 NH2 ARG A 52 16.860 0.353 12.266 1.00 0.00 N ATOM 0 H ARG A 52 10.313 2.622 8.114 1.00 0.00 H new ATOM 0 HA ARG A 52 11.935 0.556 6.829 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.326 0.714 9.793 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.559 -0.831 8.999 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.814 -0.000 8.200 1.00 0.00 H new ATOM 0 HG3 ARG A 52 13.574 1.436 9.175 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.055 -0.412 11.073 1.00 0.00 H new ATOM 0 HD3 ARG A 52 14.080 -1.391 10.042 1.00 0.00 H new ATOM 0 HE ARG A 52 15.264 1.214 10.562 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.709 -2.012 11.885 1.00 0.00 H new ATOM 0 HH12 ARG A 52 16.121 -1.947 12.944 1.00 0.00 H new ATOM 0 HH21 ARG A 52 17.078 1.289 11.925 1.00 0.00 H new ATOM 0 HH22 ARG A 52 17.457 -0.086 12.967 1.00 0.00 H new ATOM 787 N CYS A 53 9.861 -1.078 7.060 1.00 0.00 N ATOM 788 CA CYS A 53 8.613 -1.768 6.758 1.00 0.00 C ATOM 789 C CYS A 53 7.921 -2.227 8.038 1.00 0.00 C ATOM 790 O CYS A 53 8.535 -2.817 8.928 1.00 0.00 O ATOM 791 CB CYS A 53 8.877 -2.970 5.849 1.00 0.00 C ATOM 792 SG CYS A 53 7.369 -3.824 5.288 1.00 0.00 S ATOM 0 H CYS A 53 10.690 -1.672 7.025 1.00 0.00 H new ATOM 0 HA CYS A 53 7.956 -1.068 6.242 1.00 0.00 H new ATOM 0 HB2 CYS A 53 9.438 -2.636 4.976 1.00 0.00 H new ATOM 0 HB3 CYS A 53 9.508 -3.682 6.380 1.00 0.00 H new ATOM 797 N PRO A 54 6.612 -1.951 8.135 1.00 0.00 N ATOM 798 CA PRO A 54 5.808 -2.328 9.301 1.00 0.00 C ATOM 799 C PRO A 54 5.597 -3.835 9.399 1.00 0.00 C ATOM 800 O PRO A 54 4.779 -4.309 10.188 1.00 0.00 O ATOM 801 CB PRO A 54 4.474 -1.616 9.057 1.00 0.00 C ATOM 802 CG PRO A 54 4.400 -1.448 7.579 1.00 0.00 C ATOM 803 CD PRO A 54 5.816 -1.252 7.113 1.00 0.00 C ATOM 0 HA PRO A 54 6.292 -2.048 10.237 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.637 -2.205 9.431 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.440 -0.653 9.567 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.952 -2.323 7.109 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.780 -0.592 7.314 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.975 -1.675 6.121 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.077 -0.195 7.054 1.00 0.00 H new ATOM 811 N LYS A 55 6.340 -4.585 8.592 1.00 0.00 N ATOM 812 CA LYS A 55 6.237 -6.039 8.588 1.00 0.00 C ATOM 813 C LYS A 55 7.571 -6.680 8.956 1.00 0.00 C ATOM 814 O LYS A 55 7.700 -7.309 10.007 1.00 0.00 O ATOM 815 CB LYS A 55 5.784 -6.535 7.212 1.00 0.00 C ATOM 816 CG LYS A 55 4.282 -6.729 7.101 1.00 0.00 C ATOM 817 CD LYS A 55 3.814 -7.934 7.901 1.00 0.00 C ATOM 818 CE LYS A 55 3.894 -9.212 7.080 1.00 0.00 C ATOM 819 NZ LYS A 55 3.317 -10.376 7.809 1.00 0.00 N ATOM 0 H LYS A 55 7.021 -4.209 7.932 1.00 0.00 H new ATOM 0 HA LYS A 55 5.497 -6.328 9.334 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.107 -5.822 6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.281 -7.480 6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.771 -5.834 7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.007 -6.857 6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.426 -8.037 8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.787 -7.776 8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.362 -9.073 6.139 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.935 -9.419 6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.390 -11.228 7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.840 -10.525 8.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.317 -10.189 8.025 1.00 0.00 H new ATOM 833 N CYS A 56 8.562 -6.516 8.086 1.00 0.00 N ATOM 834 CA CYS A 56 9.887 -7.077 8.320 1.00 0.00 C ATOM 835 C CYS A 56 10.825 -6.030 8.913 1.00 0.00 C ATOM 836 O CYS A 56 11.965 -6.330 9.262 1.00 0.00 O ATOM 837 CB CYS A 56 10.471 -7.620 7.014 1.00 0.00 C ATOM 838 SG CYS A 56 10.369 -6.459 5.614 1.00 0.00 S ATOM 0 H CYS A 56 8.472 -5.999 7.212 1.00 0.00 H new ATOM 0 HA CYS A 56 9.787 -7.895 9.034 1.00 0.00 H new ATOM 0 HB2 CYS A 56 11.516 -7.884 7.178 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.948 -8.539 6.749 1.00 0.00 H new ATOM 843 N ASN A 57 10.334 -4.799 9.024 1.00 0.00 N ATOM 844 CA ASN A 57 11.128 -3.707 9.574 1.00 0.00 C ATOM 845 C ASN A 57 12.441 -3.551 8.812 1.00 0.00 C ATOM 846 O ASN A 57 13.517 -3.528 9.410 1.00 0.00 O ATOM 847 CB ASN A 57 11.412 -3.952 11.057 1.00 0.00 C ATOM 848 CG ASN A 57 10.150 -3.937 11.898 1.00 0.00 C ATOM 849 OD1 ASN A 57 9.714 -4.973 12.402 1.00 0.00 O ATOM 850 ND2 ASN A 57 9.555 -2.760 12.052 1.00 0.00 N ATOM 0 H ASN A 57 9.391 -4.534 8.740 1.00 0.00 H new ATOM 0 HA ASN A 57 10.555 -2.786 9.468 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.912 -4.913 11.174 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.099 -3.189 11.423 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.702 -2.689 12.606 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.951 -1.927 11.616 1.00 0.00 H new ATOM 857 N ILE A 58 12.343 -3.443 7.492 1.00 0.00 N ATOM 858 CA ILE A 58 13.522 -3.287 6.649 1.00 0.00 C ATOM 859 C ILE A 58 13.646 -1.857 6.136 1.00 0.00 C ATOM 860 O ILE A 58 12.667 -1.260 5.687 1.00 0.00 O ATOM 861 CB ILE A 58 13.487 -4.250 5.448 1.00 0.00 C ATOM 862 CG1 ILE A 58 12.286 -3.939 4.552 1.00 0.00 C ATOM 863 CG2 ILE A 58 13.437 -5.693 5.927 1.00 0.00 C ATOM 864 CD1 ILE A 58 12.258 -4.751 3.276 1.00 0.00 C ATOM 0 H ILE A 58 11.459 -3.461 6.983 1.00 0.00 H new ATOM 0 HA ILE A 58 14.386 -3.524 7.269 1.00 0.00 H new ATOM 0 HB ILE A 58 14.397 -4.113 4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 58 11.369 -4.124 5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.297 -2.879 4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 58 13.413 -6.361 5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 58 14.320 -5.908 6.528 1.00 0.00 H new ATOM 0 HG23 ILE A 58 12.542 -5.845 6.530 1.00 0.00 H new ATOM 0 HD11 ILE A 58 11.380 -4.478 2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 58 13.158 -4.548 2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.215 -5.812 3.521 1.00 0.00 H new ATOM 876 N VAL A 59 14.856 -1.312 6.204 1.00 0.00 N ATOM 877 CA VAL A 59 15.110 0.048 5.743 1.00 0.00 C ATOM 878 C VAL A 59 14.994 0.145 4.226 1.00 0.00 C ATOM 879 O VAL A 59 15.947 -0.139 3.500 1.00 0.00 O ATOM 880 CB VAL A 59 16.506 0.535 6.172 1.00 0.00 C ATOM 881 CG1 VAL A 59 16.758 1.948 5.669 1.00 0.00 C ATOM 882 CG2 VAL A 59 16.653 0.465 7.685 1.00 0.00 C ATOM 0 H VAL A 59 15.677 -1.792 6.574 1.00 0.00 H new ATOM 0 HA VAL A 59 14.354 0.684 6.204 1.00 0.00 H new ATOM 0 HB VAL A 59 17.253 -0.122 5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 59 17.750 2.274 5.982 1.00 0.00 H new ATOM 0 HG12 VAL A 59 16.698 1.963 4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 59 16.007 2.621 6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.646 0.813 7.971 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.898 1.097 8.153 1.00 0.00 H new ATOM 0 HG23 VAL A 59 16.520 -0.565 8.016 1.00 0.00 H new ATOM 892 N VAL A 60 13.819 0.549 3.752 1.00 0.00 N ATOM 893 CA VAL A 60 13.578 0.685 2.321 1.00 0.00 C ATOM 894 C VAL A 60 14.026 2.052 1.816 1.00 0.00 C ATOM 895 O VAL A 60 13.218 2.970 1.676 1.00 0.00 O ATOM 896 CB VAL A 60 12.089 0.488 1.981 1.00 0.00 C ATOM 897 CG1 VAL A 60 11.860 0.622 0.483 1.00 0.00 C ATOM 898 CG2 VAL A 60 11.603 -0.863 2.484 1.00 0.00 C ATOM 0 H VAL A 60 13.020 0.788 4.339 1.00 0.00 H new ATOM 0 HA VAL A 60 14.162 -0.092 1.827 1.00 0.00 H new ATOM 0 HB VAL A 60 11.514 1.266 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.802 0.480 0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.169 1.615 0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 60 12.445 -0.132 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.549 -0.986 2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.182 -1.657 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.729 -0.916 3.565 1.00 0.00 H new ATOM 908 N HIS A 61 15.321 2.181 1.544 1.00 0.00 N ATOM 909 CA HIS A 61 15.878 3.437 1.053 1.00 0.00 C ATOM 910 C HIS A 61 15.468 3.683 -0.396 1.00 0.00 C ATOM 911 O HIS A 61 15.208 2.742 -1.145 1.00 0.00 O ATOM 912 CB HIS A 61 17.402 3.423 1.168 1.00 0.00 C ATOM 913 CG HIS A 61 18.007 4.788 1.285 1.00 0.00 C ATOM 914 ND1 HIS A 61 18.618 5.434 0.232 1.00 0.00 N ATOM 915 CD2 HIS A 61 18.090 5.631 2.341 1.00 0.00 C ATOM 916 CE1 HIS A 61 19.053 6.614 0.634 1.00 0.00 C ATOM 917 NE2 HIS A 61 18.744 6.759 1.910 1.00 0.00 N ATOM 0 H HIS A 61 16.004 1.432 1.655 1.00 0.00 H new ATOM 0 HA HIS A 61 15.482 4.246 1.667 1.00 0.00 H new ATOM 0 HB2 HIS A 61 17.687 2.833 2.039 1.00 0.00 H new ATOM 0 HB3 HIS A 61 17.819 2.923 0.294 1.00 0.00 H new ATOM 0 HD2 HIS A 61 17.712 5.450 3.337 1.00 0.00 H new ATOM 0 HE1 HIS A 61 19.573 7.337 0.023 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.957 7.576 2.482 1.00 0.00 H new ATOM 925 N GLN A 62 15.411 4.954 -0.782 1.00 0.00 N ATOM 926 CA GLN A 62 15.030 5.323 -2.140 1.00 0.00 C ATOM 927 C GLN A 62 16.257 5.697 -2.966 1.00 0.00 C ATOM 928 O GLN A 62 17.312 6.022 -2.420 1.00 0.00 O ATOM 929 CB GLN A 62 14.042 6.490 -2.116 1.00 0.00 C ATOM 930 CG GLN A 62 12.729 6.161 -1.423 1.00 0.00 C ATOM 931 CD GLN A 62 12.058 7.386 -0.833 1.00 0.00 C ATOM 932 OE1 GLN A 62 12.289 8.510 -1.280 1.00 0.00 O ATOM 933 NE2 GLN A 62 11.222 7.175 0.176 1.00 0.00 N ATOM 0 H GLN A 62 15.624 5.745 -0.174 1.00 0.00 H new ATOM 0 HA GLN A 62 14.551 4.461 -2.603 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.506 7.338 -1.613 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.835 6.801 -3.140 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.054 5.690 -2.137 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.912 5.435 -0.631 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.060 6.226 0.514 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.741 7.961 0.613 1.00 0.00 H new ATOM 942 N THR A 63 16.112 5.649 -4.287 1.00 0.00 N ATOM 943 CA THR A 63 17.207 5.981 -5.189 1.00 0.00 C ATOM 944 C THR A 63 16.694 6.673 -6.446 1.00 0.00 C ATOM 945 O THR A 63 15.898 6.109 -7.195 1.00 0.00 O ATOM 946 CB THR A 63 18.000 4.724 -5.596 1.00 0.00 C ATOM 947 OG1 THR A 63 17.107 3.722 -6.095 1.00 0.00 O ATOM 948 CG2 THR A 63 18.782 4.171 -4.414 1.00 0.00 C ATOM 0 H THR A 63 15.246 5.383 -4.756 1.00 0.00 H new ATOM 0 HA THR A 63 17.867 6.659 -4.648 1.00 0.00 H new ATOM 0 HB THR A 63 18.705 5.004 -6.379 1.00 0.00 H new ATOM 0 HG1 THR A 63 16.401 4.148 -6.625 1.00 0.00 H new ATOM 0 HG21 THR A 63 19.334 3.284 -4.726 1.00 0.00 H new ATOM 0 HG22 THR A 63 19.482 4.926 -4.055 1.00 0.00 H new ATOM 0 HG23 THR A 63 18.092 3.906 -3.613 1.00 0.00 H new ATOM 956 N GLN A 64 17.156 7.899 -6.671 1.00 0.00 N ATOM 957 CA GLN A 64 16.743 8.669 -7.838 1.00 0.00 C ATOM 958 C GLN A 64 17.877 8.770 -8.853 1.00 0.00 C ATOM 959 O GLN A 64 19.047 8.915 -8.499 1.00 0.00 O ATOM 960 CB GLN A 64 16.291 10.068 -7.419 1.00 0.00 C ATOM 961 CG GLN A 64 17.371 10.869 -6.710 1.00 0.00 C ATOM 962 CD GLN A 64 16.802 11.972 -5.838 1.00 0.00 C ATOM 963 OE1 GLN A 64 15.603 12.003 -5.560 1.00 0.00 O ATOM 964 NE2 GLN A 64 17.662 12.885 -5.402 1.00 0.00 N ATOM 0 H GLN A 64 17.816 8.380 -6.060 1.00 0.00 H new ATOM 0 HA GLN A 64 15.906 8.150 -8.306 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.966 10.616 -8.303 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.426 9.980 -6.762 1.00 0.00 H new ATOM 0 HG2 GLN A 64 17.971 10.198 -6.095 1.00 0.00 H new ATOM 0 HG3 GLN A 64 18.040 11.306 -7.452 1.00 0.00 H new ATOM 0 HE21 GLN A 64 18.647 12.820 -5.657 1.00 0.00 H new ATOM 0 HE22 GLN A 64 17.337 13.651 -4.812 1.00 0.00 H new ATOM 973 N PRO A 65 17.525 8.692 -10.145 1.00 0.00 N ATOM 974 CA PRO A 65 18.499 8.773 -11.237 1.00 0.00 C ATOM 975 C PRO A 65 19.092 10.170 -11.382 1.00 0.00 C ATOM 976 O PRO A 65 18.669 11.108 -10.706 1.00 0.00 O ATOM 977 CB PRO A 65 17.675 8.411 -12.475 1.00 0.00 C ATOM 978 CG PRO A 65 16.274 8.770 -12.116 1.00 0.00 C ATOM 979 CD PRO A 65 16.148 8.519 -10.638 1.00 0.00 C ATOM 0 HA PRO A 65 19.354 8.117 -11.070 1.00 0.00 H new ATOM 0 HB2 PRO A 65 18.013 8.964 -13.351 1.00 0.00 H new ATOM 0 HB3 PRO A 65 17.763 7.351 -12.713 1.00 0.00 H new ATOM 0 HG2 PRO A 65 16.065 9.813 -12.354 1.00 0.00 H new ATOM 0 HG3 PRO A 65 15.560 8.166 -12.677 1.00 0.00 H new ATOM 0 HD2 PRO A 65 15.461 9.223 -10.168 1.00 0.00 H new ATOM 0 HD3 PRO A 65 15.770 7.518 -10.431 1.00 0.00 H new ATOM 987 N LEU A 66 20.074 10.301 -12.268 1.00 0.00 N ATOM 988 CA LEU A 66 20.726 11.585 -12.502 1.00 0.00 C ATOM 989 C LEU A 66 19.766 12.571 -13.159 1.00 0.00 C ATOM 990 O LEU A 66 19.628 13.710 -12.713 1.00 0.00 O ATOM 991 CB LEU A 66 21.964 11.398 -13.381 1.00 0.00 C ATOM 992 CG LEU A 66 23.052 10.481 -12.822 1.00 0.00 C ATOM 993 CD1 LEU A 66 24.092 10.174 -13.888 1.00 0.00 C ATOM 994 CD2 LEU A 66 23.707 11.113 -11.602 1.00 0.00 C ATOM 0 H LEU A 66 20.436 9.534 -12.835 1.00 0.00 H new ATOM 0 HA LEU A 66 21.031 11.991 -11.538 1.00 0.00 H new ATOM 0 HB2 LEU A 66 21.644 11.003 -14.345 1.00 0.00 H new ATOM 0 HB3 LEU A 66 22.403 12.378 -13.568 1.00 0.00 H new ATOM 0 HG LEU A 66 22.588 9.543 -12.516 1.00 0.00 H new ATOM 0 HD11 LEU A 66 24.858 9.520 -13.471 1.00 0.00 H new ATOM 0 HD12 LEU A 66 23.612 9.679 -14.732 1.00 0.00 H new ATOM 0 HD13 LEU A 66 24.552 11.103 -14.226 1.00 0.00 H new ATOM 0 HD21 LEU A 66 24.479 10.447 -11.217 1.00 0.00 H new ATOM 0 HD22 LEU A 66 24.157 12.065 -11.883 1.00 0.00 H new ATOM 0 HD23 LEU A 66 22.955 11.280 -10.831 1.00 0.00 H new ATOM 1006 N SER A 67 19.102 12.125 -14.221 1.00 0.00 N ATOM 1007 CA SER A 67 18.156 12.969 -14.941 1.00 0.00 C ATOM 1008 C SER A 67 17.039 13.445 -14.016 1.00 0.00 C ATOM 1009 O SER A 67 16.710 12.785 -13.032 1.00 0.00 O ATOM 1010 CB SER A 67 17.561 12.207 -16.127 1.00 0.00 C ATOM 1011 OG SER A 67 18.544 11.954 -17.116 1.00 0.00 O ATOM 0 H SER A 67 19.202 11.184 -14.602 1.00 0.00 H new ATOM 0 HA SER A 67 18.694 13.842 -15.311 1.00 0.00 H new ATOM 0 HB2 SER A 67 17.137 11.264 -15.782 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.744 12.784 -16.561 1.00 0.00 H new ATOM 0 HG SER A 67 18.139 11.465 -17.862 1.00 0.00 H new ATOM 1017 N GLY A 68 16.461 14.597 -14.341 1.00 0.00 N ATOM 1018 CA GLY A 68 15.388 15.143 -13.530 1.00 0.00 C ATOM 1019 C GLY A 68 14.097 15.302 -14.308 1.00 0.00 C ATOM 1020 O GLY A 68 14.032 16.021 -15.305 1.00 0.00 O ATOM 0 H GLY A 68 16.716 15.162 -15.151 1.00 0.00 H new ATOM 0 HA2 GLY A 68 15.215 14.490 -12.674 1.00 0.00 H new ATOM 0 HA3 GLY A 68 15.692 16.112 -13.135 1.00 0.00 H new ATOM 1024 N PRO A 69 13.038 14.617 -13.851 1.00 0.00 N ATOM 1025 CA PRO A 69 11.723 14.668 -14.497 1.00 0.00 C ATOM 1026 C PRO A 69 11.045 16.023 -14.324 1.00 0.00 C ATOM 1027 O PRO A 69 11.186 16.671 -13.287 1.00 0.00 O ATOM 1028 CB PRO A 69 10.929 13.577 -13.774 1.00 0.00 C ATOM 1029 CG PRO A 69 11.584 13.453 -12.441 1.00 0.00 C ATOM 1030 CD PRO A 69 13.042 13.740 -12.668 1.00 0.00 C ATOM 0 HA PRO A 69 11.793 14.520 -15.575 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.879 13.851 -13.675 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.962 12.635 -14.321 1.00 0.00 H new ATOM 0 HG2 PRO A 69 11.154 14.157 -11.728 1.00 0.00 H new ATOM 0 HG3 PRO A 69 11.443 12.454 -12.028 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.494 14.231 -11.806 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.608 12.826 -12.847 1.00 0.00 H new ATOM 1038 N SER A 70 10.308 16.446 -15.347 1.00 0.00 N ATOM 1039 CA SER A 70 9.610 17.726 -15.309 1.00 0.00 C ATOM 1040 C SER A 70 8.752 17.840 -14.053 1.00 0.00 C ATOM 1041 O SER A 70 8.924 18.758 -13.252 1.00 0.00 O ATOM 1042 CB SER A 70 8.737 17.891 -16.554 1.00 0.00 C ATOM 1043 OG SER A 70 9.523 17.890 -17.733 1.00 0.00 O ATOM 0 H SER A 70 10.179 15.921 -16.212 1.00 0.00 H new ATOM 0 HA SER A 70 10.357 18.519 -15.290 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.007 17.083 -16.599 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.177 18.824 -16.488 1.00 0.00 H new ATOM 0 HG SER A 70 8.941 17.995 -18.514 1.00 0.00 H new ATOM 1049 N SER A 71 7.827 16.899 -13.888 1.00 0.00 N ATOM 1050 CA SER A 71 6.939 16.895 -12.732 1.00 0.00 C ATOM 1051 C SER A 71 7.731 17.044 -11.437 1.00 0.00 C ATOM 1052 O SER A 71 8.909 16.694 -11.373 1.00 0.00 O ATOM 1053 CB SER A 71 6.119 15.604 -12.697 1.00 0.00 C ATOM 1054 OG SER A 71 5.437 15.399 -13.922 1.00 0.00 O ATOM 0 H SER A 71 7.674 16.130 -14.540 1.00 0.00 H new ATOM 0 HA SER A 71 6.262 17.745 -12.822 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.776 14.758 -12.497 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.399 15.649 -11.880 1.00 0.00 H new ATOM 0 HG SER A 71 4.922 14.567 -13.874 1.00 0.00 H new ATOM 1060 N GLY A 72 7.075 17.566 -10.405 1.00 0.00 N ATOM 1061 CA GLY A 72 7.733 17.752 -9.125 1.00 0.00 C ATOM 1062 C GLY A 72 6.825 17.430 -7.955 1.00 0.00 C ATOM 1063 O GLY A 72 7.124 16.503 -7.203 1.00 0.00 O ATOM 0 H GLY A 72 6.100 17.863 -10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.618 17.118 -9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.075 18.784 -9.042 1.00 0.00 H new TER 1067 GLY A 72 HETATM 1068 ZN ZN A 201 -3.728 0.050 5.988 1.00 0.00 ZN HETATM 1069 ZN ZN A 401 8.272 -5.961 4.802 1.00 0.00 ZN