USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 431 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 31 HIS HE2 : A 31 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 21 GLN :FLIP amide:sc= 0.144 X(o=0,f=0.44) USER MOD Set 1.2: A 27 ASN : amide:sc= 0.295 X(o=0.44,f=0) USER MOD Single : A 1 SER N :NH3+ 151:sc= 0.0451 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0412 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 11 GLN : amide:sc= -0.0437 X(o=-0.044,f=-0.16) USER MOD Single : A 25 SER OG : rot 49:sc= 0.0321 USER MOD Single : A 28 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.11) USER MOD Single : A 32 GLN :FLIP amide:sc= 0.00358 F(o=-0.54,f=0.0036) USER MOD Single : A 38 SER OG : rot 180:sc= -0.469 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= -0.0259 (180deg=-0.206) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.480 8.095 -0.192 1.00 0.00 N ATOM 2 CA SER A 1 5.862 7.748 -1.485 1.00 0.00 C ATOM 3 C SER A 1 6.191 6.280 -1.831 1.00 0.00 C ATOM 4 O SER A 1 7.354 5.959 -2.116 1.00 0.00 O ATOM 5 CB SER A 1 6.380 8.704 -2.586 1.00 0.00 C ATOM 6 OG SER A 1 6.288 10.063 -2.180 1.00 0.00 O ATOM 0 H1 SER A 1 6.699 9.111 -0.174 1.00 0.00 H new ATOM 0 H2 SER A 1 5.820 7.869 0.580 1.00 0.00 H new ATOM 0 H3 SER A 1 7.357 7.550 -0.069 1.00 0.00 H new ATOM 0 HA SER A 1 4.780 7.858 -1.419 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.417 8.463 -2.821 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.803 8.556 -3.499 1.00 0.00 H new ATOM 0 HG SER A 1 6.624 10.642 -2.896 1.00 0.00 H new ATOM 14 N HIS A 2 5.179 5.396 -1.786 1.00 0.00 N ATOM 15 CA HIS A 2 5.355 3.965 -2.088 1.00 0.00 C ATOM 16 C HIS A 2 4.018 3.355 -2.540 1.00 0.00 C ATOM 17 O HIS A 2 3.194 2.947 -1.719 1.00 0.00 O ATOM 18 CB HIS A 2 5.932 3.202 -0.859 1.00 0.00 C ATOM 19 CG HIS A 2 6.251 1.750 -1.130 1.00 0.00 C ATOM 20 ND1 HIS A 2 5.602 0.693 -0.526 1.00 0.00 N ATOM 21 CD2 HIS A 2 7.177 1.193 -1.956 1.00 0.00 C ATOM 22 CE1 HIS A 2 6.135 -0.441 -0.995 1.00 0.00 C ATOM 23 NE2 HIS A 2 7.094 -0.193 -1.867 1.00 0.00 N ATOM 0 H HIS A 2 4.222 5.651 -1.541 1.00 0.00 H new ATOM 0 HA HIS A 2 6.074 3.866 -2.902 1.00 0.00 H new ATOM 0 HB2 HIS A 2 6.839 3.706 -0.525 1.00 0.00 H new ATOM 0 HB3 HIS A 2 5.215 3.259 -0.040 1.00 0.00 H new ATOM 0 HD2 HIS A 2 7.867 1.740 -2.582 1.00 0.00 H new ATOM 0 HE1 HIS A 2 5.821 -1.431 -0.698 1.00 0.00 H new ATOM 0 HE2 HIS A 2 7.658 -0.877 -2.372 1.00 0.00 H new ATOM 31 N MET A 3 3.808 3.354 -3.859 1.00 0.00 N ATOM 32 CA MET A 3 2.643 2.715 -4.513 1.00 0.00 C ATOM 33 C MET A 3 3.027 2.341 -5.976 1.00 0.00 C ATOM 34 O MET A 3 2.202 1.859 -6.762 1.00 0.00 O ATOM 35 CB MET A 3 1.419 3.691 -4.459 1.00 0.00 C ATOM 36 CG MET A 3 0.084 3.130 -4.974 1.00 0.00 C ATOM 37 SD MET A 3 -1.243 4.361 -4.929 1.00 0.00 S ATOM 38 CE MET A 3 -2.617 3.449 -5.639 1.00 0.00 C ATOM 0 H MET A 3 4.445 3.800 -4.519 1.00 0.00 H new ATOM 0 HA MET A 3 2.360 1.800 -3.993 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.281 4.011 -3.426 1.00 0.00 H new ATOM 0 HB3 MET A 3 1.664 4.581 -5.039 1.00 0.00 H new ATOM 0 HG2 MET A 3 0.212 2.775 -5.996 1.00 0.00 H new ATOM 0 HG3 MET A 3 -0.202 2.268 -4.371 1.00 0.00 H new ATOM 0 HE1 MET A 3 -3.500 4.088 -5.671 1.00 0.00 H new ATOM 0 HE2 MET A 3 -2.360 3.133 -6.650 1.00 0.00 H new ATOM 0 HE3 MET A 3 -2.826 2.572 -5.027 1.00 0.00 H new ATOM 48 N CYS A 4 4.324 2.524 -6.299 1.00 0.00 N ATOM 49 CA CYS A 4 4.848 2.418 -7.668 1.00 0.00 C ATOM 50 C CYS A 4 6.395 2.190 -7.564 1.00 0.00 C ATOM 51 O CYS A 4 7.152 3.160 -7.485 1.00 0.00 O ATOM 52 CB CYS A 4 4.460 3.711 -8.465 1.00 0.00 C ATOM 53 SG CYS A 4 3.970 3.406 -10.184 1.00 0.00 S ATOM 0 H CYS A 4 5.039 2.751 -5.608 1.00 0.00 H new ATOM 0 HA CYS A 4 4.420 1.578 -8.215 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.640 4.210 -7.948 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.307 4.397 -8.457 1.00 0.00 H new ATOM 58 N PRO A 5 6.862 0.879 -7.543 1.00 0.00 N ATOM 59 CA PRO A 5 8.211 0.456 -7.017 1.00 0.00 C ATOM 60 C PRO A 5 9.452 1.192 -7.588 1.00 0.00 C ATOM 61 O PRO A 5 10.298 1.671 -6.820 1.00 0.00 O ATOM 62 CB PRO A 5 8.275 -1.059 -7.375 1.00 0.00 C ATOM 63 CG PRO A 5 6.843 -1.487 -7.434 1.00 0.00 C ATOM 64 CD PRO A 5 6.101 -0.313 -8.035 1.00 0.00 C ATOM 0 HA PRO A 5 8.271 0.700 -5.956 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.778 -1.221 -8.328 1.00 0.00 H new ATOM 0 HB3 PRO A 5 8.828 -1.622 -6.623 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.725 -2.382 -8.045 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.463 -1.726 -6.441 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.092 -0.360 -9.124 1.00 0.00 H new ATOM 0 HD3 PRO A 5 5.061 -0.287 -7.708 1.00 0.00 H new ATOM 72 N ALA A 6 9.550 1.259 -8.933 1.00 0.00 N ATOM 73 CA ALA A 6 10.769 1.747 -9.647 1.00 0.00 C ATOM 74 C ALA A 6 11.138 3.213 -9.287 1.00 0.00 C ATOM 75 O ALA A 6 10.291 3.975 -8.807 1.00 0.00 O ATOM 76 CB ALA A 6 10.582 1.595 -11.171 1.00 0.00 C ATOM 0 H ALA A 6 8.795 0.980 -9.560 1.00 0.00 H new ATOM 0 HA ALA A 6 11.603 1.129 -9.315 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.474 1.953 -11.685 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.419 0.545 -11.415 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.720 2.180 -11.492 1.00 0.00 H new ATOM 82 N VAL A 7 12.419 3.589 -9.508 1.00 0.00 N ATOM 83 CA VAL A 7 12.907 4.970 -9.286 1.00 0.00 C ATOM 84 C VAL A 7 12.433 5.901 -10.430 1.00 0.00 C ATOM 85 O VAL A 7 11.959 7.017 -10.187 1.00 0.00 O ATOM 86 CB VAL A 7 14.484 5.024 -9.134 1.00 0.00 C ATOM 87 CG1 VAL A 7 14.942 4.262 -7.865 1.00 0.00 C ATOM 88 CG2 VAL A 7 15.219 4.482 -10.395 1.00 0.00 C ATOM 0 H VAL A 7 13.139 2.949 -9.843 1.00 0.00 H new ATOM 0 HA VAL A 7 12.481 5.322 -8.347 1.00 0.00 H new ATOM 0 HB VAL A 7 14.757 6.074 -9.030 1.00 0.00 H new ATOM 0 HG11 VAL A 7 16.028 4.313 -7.782 1.00 0.00 H new ATOM 0 HG12 VAL A 7 14.489 4.717 -6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 7 14.632 3.219 -7.935 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.297 4.540 -10.241 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.932 3.444 -10.565 1.00 0.00 H new ATOM 0 HG23 VAL A 7 14.943 5.082 -11.263 1.00 0.00 H new ATOM 98 N SER A 8 12.519 5.393 -11.672 1.00 0.00 N ATOM 99 CA SER A 8 12.098 6.099 -12.893 1.00 0.00 C ATOM 100 C SER A 8 10.631 5.731 -13.210 1.00 0.00 C ATOM 101 O SER A 8 10.277 5.358 -14.332 1.00 0.00 O ATOM 102 CB SER A 8 13.070 5.703 -14.037 1.00 0.00 C ATOM 103 OG SER A 8 13.218 4.290 -14.116 1.00 0.00 O ATOM 0 H SER A 8 12.891 4.461 -11.858 1.00 0.00 H new ATOM 0 HA SER A 8 12.139 7.181 -12.768 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.695 6.086 -14.986 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.043 6.165 -13.868 1.00 0.00 H new ATOM 0 HG SER A 8 13.833 4.066 -14.845 1.00 0.00 H new ATOM 109 N CYS A 9 9.781 5.901 -12.192 1.00 0.00 N ATOM 110 CA CYS A 9 8.407 5.381 -12.184 1.00 0.00 C ATOM 111 C CYS A 9 7.387 6.421 -12.694 1.00 0.00 C ATOM 112 O CYS A 9 7.252 7.493 -12.106 1.00 0.00 O ATOM 113 CB CYS A 9 8.038 4.916 -10.731 1.00 0.00 C ATOM 114 SG CYS A 9 7.694 3.130 -10.591 1.00 0.00 S ATOM 0 H CYS A 9 10.028 6.408 -11.342 1.00 0.00 H new ATOM 0 HA CYS A 9 8.361 4.533 -12.868 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.857 5.172 -10.059 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.163 5.472 -10.393 1.00 0.00 H new ATOM 119 N LEU A 10 6.668 6.086 -13.792 1.00 0.00 N ATOM 120 CA LEU A 10 5.393 6.756 -14.142 1.00 0.00 C ATOM 121 C LEU A 10 4.311 6.354 -13.112 1.00 0.00 C ATOM 122 O LEU A 10 4.566 5.531 -12.213 1.00 0.00 O ATOM 123 CB LEU A 10 4.904 6.356 -15.577 1.00 0.00 C ATOM 124 CG LEU A 10 5.917 6.509 -16.761 1.00 0.00 C ATOM 125 CD1 LEU A 10 5.233 6.254 -18.127 1.00 0.00 C ATOM 126 CD2 LEU A 10 6.633 7.882 -16.733 1.00 0.00 C ATOM 0 H LEU A 10 6.949 5.358 -14.449 1.00 0.00 H new ATOM 0 HA LEU A 10 5.561 7.833 -14.127 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.582 5.315 -15.543 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.023 6.954 -15.810 1.00 0.00 H new ATOM 0 HG LEU A 10 6.683 5.745 -16.629 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.964 6.368 -18.927 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.828 5.242 -18.148 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.425 6.972 -18.269 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.327 7.948 -17.571 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.894 8.679 -16.811 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.183 7.987 -15.798 1.00 0.00 H new ATOM 138 N GLN A 11 3.105 6.898 -13.265 1.00 0.00 N ATOM 139 CA GLN A 11 1.930 6.491 -12.475 1.00 0.00 C ATOM 140 C GLN A 11 0.892 5.870 -13.441 1.00 0.00 C ATOM 141 O GLN A 11 -0.002 6.572 -13.930 1.00 0.00 O ATOM 142 CB GLN A 11 1.340 7.696 -11.686 1.00 0.00 C ATOM 143 CG GLN A 11 2.312 8.391 -10.703 1.00 0.00 C ATOM 144 CD GLN A 11 2.900 7.451 -9.641 1.00 0.00 C ATOM 145 OE1 GLN A 11 3.993 6.904 -9.801 1.00 0.00 O ATOM 146 NE2 GLN A 11 2.161 7.221 -8.568 1.00 0.00 N ATOM 0 H GLN A 11 2.908 7.636 -13.941 1.00 0.00 H new ATOM 0 HA GLN A 11 2.218 5.750 -11.729 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.984 8.437 -12.402 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.471 7.350 -11.126 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.128 8.839 -11.270 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.787 9.205 -10.203 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.260 7.687 -8.460 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.492 6.578 -7.849 1.00 0.00 H new ATOM 155 N PRO A 12 1.036 4.548 -13.791 1.00 0.00 N ATOM 156 CA PRO A 12 0.133 3.861 -14.737 1.00 0.00 C ATOM 157 C PRO A 12 -1.180 3.375 -14.072 1.00 0.00 C ATOM 158 O PRO A 12 -1.162 2.791 -12.977 1.00 0.00 O ATOM 159 CB PRO A 12 1.010 2.685 -15.225 1.00 0.00 C ATOM 160 CG PRO A 12 1.842 2.321 -14.032 1.00 0.00 C ATOM 161 CD PRO A 12 2.108 3.629 -13.312 1.00 0.00 C ATOM 0 HA PRO A 12 -0.220 4.509 -15.539 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.400 1.844 -15.555 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.633 2.978 -16.070 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.317 1.617 -13.387 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.774 1.842 -14.334 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.066 3.501 -12.230 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.098 4.018 -13.549 1.00 0.00 H new ATOM 169 N GLU A 13 -2.315 3.632 -14.747 1.00 0.00 N ATOM 170 CA GLU A 13 -3.646 3.165 -14.310 1.00 0.00 C ATOM 171 C GLU A 13 -4.538 2.892 -15.537 1.00 0.00 C ATOM 172 O GLU A 13 -4.338 3.489 -16.605 1.00 0.00 O ATOM 173 CB GLU A 13 -4.320 4.197 -13.355 1.00 0.00 C ATOM 174 CG GLU A 13 -4.581 5.587 -13.976 1.00 0.00 C ATOM 175 CD GLU A 13 -5.409 6.517 -13.070 1.00 0.00 C ATOM 176 OE1 GLU A 13 -4.819 7.206 -12.207 1.00 0.00 O ATOM 177 OE2 GLU A 13 -6.655 6.556 -13.214 1.00 0.00 O ATOM 0 H GLU A 13 -2.336 4.171 -15.613 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.519 2.236 -13.754 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.269 3.785 -13.011 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.689 4.321 -12.475 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.626 6.063 -14.196 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.101 5.460 -14.926 1.00 0.00 H new ATOM 184 N GLY A 14 -5.507 1.971 -15.384 1.00 0.00 N ATOM 185 CA GLY A 14 -6.433 1.618 -16.464 1.00 0.00 C ATOM 186 C GLY A 14 -6.804 0.143 -16.438 1.00 0.00 C ATOM 187 O GLY A 14 -6.878 -0.461 -15.361 1.00 0.00 O ATOM 0 H GLY A 14 -5.665 1.458 -14.517 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.337 2.221 -16.378 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.979 1.861 -17.425 1.00 0.00 H new ATOM 191 N ASP A 15 -7.024 -0.439 -17.631 1.00 0.00 N ATOM 192 CA ASP A 15 -7.420 -1.848 -17.800 1.00 0.00 C ATOM 193 C ASP A 15 -6.170 -2.721 -17.986 1.00 0.00 C ATOM 194 O ASP A 15 -5.782 -3.044 -19.119 1.00 0.00 O ATOM 195 CB ASP A 15 -8.394 -2.011 -18.995 1.00 0.00 C ATOM 196 CG ASP A 15 -9.745 -1.318 -18.770 1.00 0.00 C ATOM 197 OD1 ASP A 15 -10.588 -1.879 -18.032 1.00 0.00 O ATOM 198 OD2 ASP A 15 -9.972 -0.211 -19.307 1.00 0.00 O ATOM 0 H ASP A 15 -6.931 0.062 -18.514 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.945 -2.175 -16.902 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.929 -1.604 -19.893 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.563 -3.073 -19.176 1.00 0.00 H new ATOM 203 N GLU A 16 -5.510 -3.003 -16.845 1.00 0.00 N ATOM 204 CA GLU A 16 -4.317 -3.866 -16.737 1.00 0.00 C ATOM 205 C GLU A 16 -3.086 -3.216 -17.391 1.00 0.00 C ATOM 206 O GLU A 16 -3.086 -2.871 -18.577 1.00 0.00 O ATOM 207 CB GLU A 16 -4.558 -5.303 -17.290 1.00 0.00 C ATOM 208 CG GLU A 16 -5.561 -6.143 -16.472 1.00 0.00 C ATOM 209 CD GLU A 16 -5.095 -6.417 -15.025 1.00 0.00 C ATOM 210 OE1 GLU A 16 -4.280 -7.347 -14.811 1.00 0.00 O ATOM 211 OE2 GLU A 16 -5.527 -5.698 -14.097 1.00 0.00 O ATOM 0 H GLU A 16 -5.802 -2.624 -15.944 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.114 -3.972 -15.671 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.918 -5.228 -18.316 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.605 -5.830 -17.324 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.520 -5.626 -16.445 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.726 -7.094 -16.979 1.00 0.00 H new ATOM 218 N VAL A 17 -2.047 -3.038 -16.579 1.00 0.00 N ATOM 219 CA VAL A 17 -0.763 -2.477 -17.006 1.00 0.00 C ATOM 220 C VAL A 17 0.169 -3.608 -17.495 1.00 0.00 C ATOM 221 O VAL A 17 0.108 -4.736 -16.987 1.00 0.00 O ATOM 222 CB VAL A 17 -0.100 -1.679 -15.823 1.00 0.00 C ATOM 223 CG1 VAL A 17 1.259 -1.051 -16.228 1.00 0.00 C ATOM 224 CG2 VAL A 17 -1.072 -0.594 -15.290 1.00 0.00 C ATOM 0 H VAL A 17 -2.072 -3.283 -15.589 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.931 -1.786 -17.832 1.00 0.00 H new ATOM 0 HB VAL A 17 0.105 -2.392 -15.024 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.678 -0.511 -15.379 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.948 -1.839 -16.532 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.108 -0.361 -17.058 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.598 -0.051 -14.472 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.317 0.101 -16.093 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.985 -1.069 -14.930 1.00 0.00 H new ATOM 234 N ASP A 18 0.994 -3.304 -18.505 1.00 0.00 N ATOM 235 CA ASP A 18 2.027 -4.226 -19.011 1.00 0.00 C ATOM 236 C ASP A 18 3.149 -4.345 -17.960 1.00 0.00 C ATOM 237 O ASP A 18 3.729 -3.323 -17.580 1.00 0.00 O ATOM 238 CB ASP A 18 2.597 -3.689 -20.348 1.00 0.00 C ATOM 239 CG ASP A 18 1.522 -3.500 -21.441 1.00 0.00 C ATOM 240 OD1 ASP A 18 0.723 -2.538 -21.344 1.00 0.00 O ATOM 241 OD2 ASP A 18 1.474 -4.299 -22.403 1.00 0.00 O ATOM 0 H ASP A 18 0.966 -2.411 -18.997 1.00 0.00 H new ATOM 0 HA ASP A 18 1.593 -5.210 -19.189 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.092 -2.735 -20.166 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.358 -4.378 -20.713 1.00 0.00 H new ATOM 246 N TRP A 19 3.418 -5.574 -17.459 1.00 0.00 N ATOM 247 CA TRP A 19 4.428 -5.821 -16.395 1.00 0.00 C ATOM 248 C TRP A 19 5.553 -6.738 -16.888 1.00 0.00 C ATOM 249 O TRP A 19 5.303 -7.796 -17.479 1.00 0.00 O ATOM 250 CB TRP A 19 3.769 -6.411 -15.109 1.00 0.00 C ATOM 251 CG TRP A 19 3.105 -5.381 -14.216 1.00 0.00 C ATOM 252 CD1 TRP A 19 2.227 -4.413 -14.597 1.00 0.00 C ATOM 253 CD2 TRP A 19 3.271 -5.218 -12.796 1.00 0.00 C ATOM 254 NE1 TRP A 19 1.834 -3.664 -13.519 1.00 0.00 N ATOM 255 CE2 TRP A 19 2.465 -4.135 -12.401 1.00 0.00 C ATOM 256 CE3 TRP A 19 4.030 -5.878 -11.824 1.00 0.00 C ATOM 257 CZ2 TRP A 19 2.386 -3.704 -11.076 1.00 0.00 C ATOM 258 CZ3 TRP A 19 3.951 -5.450 -10.511 1.00 0.00 C ATOM 259 CH2 TRP A 19 3.142 -4.367 -10.148 1.00 0.00 C ATOM 0 H TRP A 19 2.945 -6.420 -17.777 1.00 0.00 H new ATOM 0 HA TRP A 19 4.866 -4.855 -16.141 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.026 -7.152 -15.404 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.531 -6.936 -14.533 1.00 0.00 H new ATOM 0 HD1 TRP A 19 1.887 -4.257 -15.610 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.178 -2.883 -13.546 1.00 0.00 H new ATOM 0 HE3 TRP A 19 4.667 -6.707 -12.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 1.751 -2.877 -10.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.524 -5.961 -9.752 1.00 0.00 H new ATOM 0 HH2 TRP A 19 3.114 -4.049 -9.116 1.00 0.00 H new ATOM 270 N VAL A 20 6.794 -6.294 -16.633 1.00 0.00 N ATOM 271 CA VAL A 20 8.019 -7.064 -16.914 1.00 0.00 C ATOM 272 C VAL A 20 8.591 -7.633 -15.600 1.00 0.00 C ATOM 273 O VAL A 20 8.850 -6.890 -14.641 1.00 0.00 O ATOM 274 CB VAL A 20 9.116 -6.208 -17.676 1.00 0.00 C ATOM 275 CG1 VAL A 20 9.469 -4.892 -16.930 1.00 0.00 C ATOM 276 CG2 VAL A 20 10.392 -7.047 -17.980 1.00 0.00 C ATOM 0 H VAL A 20 6.978 -5.379 -16.221 1.00 0.00 H new ATOM 0 HA VAL A 20 7.746 -7.883 -17.579 1.00 0.00 H new ATOM 0 HB VAL A 20 8.673 -5.920 -18.630 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.224 -4.345 -17.495 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.574 -4.278 -16.832 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.857 -5.128 -15.939 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.120 -6.426 -18.502 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.824 -7.404 -17.045 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.127 -7.899 -18.606 1.00 0.00 H new ATOM 286 N GLN A 21 8.753 -8.961 -15.551 1.00 0.00 N ATOM 287 CA GLN A 21 9.422 -9.634 -14.432 1.00 0.00 C ATOM 288 C GLN A 21 10.947 -9.575 -14.629 1.00 0.00 C ATOM 289 O GLN A 21 11.443 -9.766 -15.748 1.00 0.00 O ATOM 290 CB GLN A 21 8.969 -11.111 -14.317 1.00 0.00 C ATOM 291 CG GLN A 21 9.593 -11.885 -13.130 1.00 0.00 C ATOM 292 CD GLN A 21 9.288 -13.381 -13.136 1.00 0.00 C ATOM 293 OE1 GLN A 21 10.179 -14.160 -12.556 1.00 0.00 O flip ATOM 294 NE2 GLN A 21 8.256 -13.825 -13.641 1.00 0.00 N flip ATOM 0 H GLN A 21 8.427 -9.595 -16.280 1.00 0.00 H new ATOM 0 HA GLN A 21 9.148 -9.119 -13.511 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.884 -11.138 -14.221 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.220 -11.628 -15.243 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.674 -11.745 -13.146 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.229 -11.454 -12.197 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.590 -13.190 -14.081 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.068 -14.827 -13.619 1.00 0.00 H new ATOM 303 N CYS A 22 11.683 -9.305 -13.545 1.00 0.00 N ATOM 304 CA CYS A 22 13.142 -9.428 -13.542 1.00 0.00 C ATOM 305 C CYS A 22 13.500 -10.893 -13.247 1.00 0.00 C ATOM 306 O CYS A 22 13.773 -11.252 -12.095 1.00 0.00 O ATOM 307 CB CYS A 22 13.780 -8.487 -12.505 1.00 0.00 C ATOM 308 SG CYS A 22 15.597 -8.403 -12.601 1.00 0.00 S ATOM 0 H CYS A 22 11.288 -8.999 -12.656 1.00 0.00 H new ATOM 0 HA CYS A 22 13.535 -9.137 -14.516 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.372 -7.485 -12.639 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.494 -8.816 -11.506 1.00 0.00 H new ATOM 313 N ASP A 23 13.454 -11.736 -14.301 1.00 0.00 N ATOM 314 CA ASP A 23 13.721 -13.198 -14.230 1.00 0.00 C ATOM 315 C ASP A 23 15.099 -13.515 -13.585 1.00 0.00 C ATOM 316 O ASP A 23 15.346 -14.647 -13.137 1.00 0.00 O ATOM 317 CB ASP A 23 13.621 -13.817 -15.655 1.00 0.00 C ATOM 318 CG ASP A 23 13.847 -15.348 -15.685 1.00 0.00 C ATOM 319 OD1 ASP A 23 12.929 -16.105 -15.298 1.00 0.00 O ATOM 320 OD2 ASP A 23 14.943 -15.805 -16.089 1.00 0.00 O ATOM 0 H ASP A 23 13.227 -11.419 -15.244 1.00 0.00 H new ATOM 0 HA ASP A 23 12.965 -13.646 -13.585 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.638 -13.596 -16.070 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.355 -13.337 -16.302 1.00 0.00 H new ATOM 325 N GLY A 24 15.987 -12.498 -13.551 1.00 0.00 N ATOM 326 CA GLY A 24 17.211 -12.534 -12.748 1.00 0.00 C ATOM 327 C GLY A 24 16.999 -12.902 -11.273 1.00 0.00 C ATOM 328 O GLY A 24 15.860 -13.049 -10.808 1.00 0.00 O ATOM 0 H GLY A 24 15.869 -11.635 -14.081 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.900 -13.252 -13.192 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.692 -11.557 -12.799 1.00 0.00 H new ATOM 332 N SER A 25 18.114 -12.993 -10.524 1.00 0.00 N ATOM 333 CA SER A 25 18.155 -13.513 -9.148 1.00 0.00 C ATOM 334 C SER A 25 17.569 -12.491 -8.147 1.00 0.00 C ATOM 335 O SER A 25 18.297 -11.820 -7.402 1.00 0.00 O ATOM 336 CB SER A 25 19.619 -13.897 -8.808 1.00 0.00 C ATOM 337 OG SER A 25 20.512 -12.828 -9.096 1.00 0.00 O ATOM 0 H SER A 25 19.029 -12.701 -10.867 1.00 0.00 H new ATOM 0 HA SER A 25 17.532 -14.404 -9.069 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.693 -14.161 -7.753 1.00 0.00 H new ATOM 0 HB3 SER A 25 19.908 -14.779 -9.379 1.00 0.00 H new ATOM 0 HG SER A 25 20.163 -11.997 -8.710 1.00 0.00 H new ATOM 343 N CYS A 26 16.232 -12.365 -8.203 1.00 0.00 N ATOM 344 CA CYS A 26 15.434 -11.467 -7.349 1.00 0.00 C ATOM 345 C CYS A 26 13.942 -11.636 -7.684 1.00 0.00 C ATOM 346 O CYS A 26 13.098 -11.645 -6.780 1.00 0.00 O ATOM 347 CB CYS A 26 15.838 -9.985 -7.522 1.00 0.00 C ATOM 348 SG CYS A 26 15.151 -9.199 -8.998 1.00 0.00 S ATOM 0 H CYS A 26 15.662 -12.898 -8.860 1.00 0.00 H new ATOM 0 HA CYS A 26 15.625 -11.741 -6.311 1.00 0.00 H new ATOM 0 HB2 CYS A 26 15.516 -9.427 -6.643 1.00 0.00 H new ATOM 0 HB3 CYS A 26 16.925 -9.918 -7.561 1.00 0.00 H new ATOM 353 N ASN A 27 13.632 -11.722 -9.013 1.00 0.00 N ATOM 354 CA ASN A 27 12.264 -11.979 -9.533 1.00 0.00 C ATOM 355 C ASN A 27 11.333 -10.790 -9.227 1.00 0.00 C ATOM 356 O ASN A 27 10.127 -10.947 -9.051 1.00 0.00 O ATOM 357 CB ASN A 27 11.714 -13.345 -9.016 1.00 0.00 C ATOM 358 CG ASN A 27 12.607 -14.530 -9.413 1.00 0.00 C ATOM 359 OD1 ASN A 27 13.551 -14.873 -8.702 1.00 0.00 O ATOM 360 ND2 ASN A 27 12.317 -15.165 -10.537 1.00 0.00 N ATOM 0 H ASN A 27 14.329 -11.614 -9.750 1.00 0.00 H new ATOM 0 HA ASN A 27 12.308 -12.065 -10.619 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.626 -13.309 -7.930 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.711 -13.502 -9.412 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.882 -15.961 -10.834 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.528 -14.859 -11.107 1.00 0.00 H new ATOM 367 N GLN A 28 11.941 -9.589 -9.205 1.00 0.00 N ATOM 368 CA GLN A 28 11.253 -8.320 -8.935 1.00 0.00 C ATOM 369 C GLN A 28 10.366 -7.904 -10.118 1.00 0.00 C ATOM 370 O GLN A 28 10.855 -7.724 -11.238 1.00 0.00 O ATOM 371 CB GLN A 28 12.280 -7.210 -8.620 1.00 0.00 C ATOM 372 CG GLN A 28 12.959 -7.365 -7.252 1.00 0.00 C ATOM 373 CD GLN A 28 13.919 -6.234 -6.895 1.00 0.00 C ATOM 374 OE1 GLN A 28 14.625 -5.684 -7.751 1.00 0.00 O ATOM 375 NE2 GLN A 28 13.908 -5.862 -5.628 1.00 0.00 N ATOM 0 H GLN A 28 12.940 -9.475 -9.377 1.00 0.00 H new ATOM 0 HA GLN A 28 10.610 -8.465 -8.067 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.045 -7.205 -9.396 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.779 -6.243 -8.659 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.189 -7.429 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.505 -8.308 -7.235 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.309 -6.346 -4.959 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.499 -5.090 -5.318 1.00 0.00 H new ATOM 384 N TRP A 29 9.073 -7.749 -9.842 1.00 0.00 N ATOM 385 CA TRP A 29 8.069 -7.384 -10.844 1.00 0.00 C ATOM 386 C TRP A 29 7.959 -5.861 -10.982 1.00 0.00 C ATOM 387 O TRP A 29 7.475 -5.167 -10.077 1.00 0.00 O ATOM 388 CB TRP A 29 6.708 -8.020 -10.472 1.00 0.00 C ATOM 389 CG TRP A 29 6.623 -9.484 -10.806 1.00 0.00 C ATOM 390 CD1 TRP A 29 7.190 -10.527 -10.134 1.00 0.00 C ATOM 391 CD2 TRP A 29 5.931 -10.051 -11.922 1.00 0.00 C ATOM 392 NE1 TRP A 29 6.892 -11.710 -10.764 1.00 0.00 N ATOM 393 CE2 TRP A 29 6.114 -11.440 -11.865 1.00 0.00 C ATOM 394 CE3 TRP A 29 5.171 -9.506 -12.963 1.00 0.00 C ATOM 395 CZ2 TRP A 29 5.562 -12.300 -12.809 1.00 0.00 C ATOM 396 CZ3 TRP A 29 4.625 -10.355 -13.903 1.00 0.00 C ATOM 397 CH2 TRP A 29 4.824 -11.740 -13.821 1.00 0.00 C ATOM 0 H TRP A 29 8.687 -7.874 -8.906 1.00 0.00 H new ATOM 0 HA TRP A 29 8.378 -7.772 -11.815 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.533 -7.887 -9.404 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.912 -7.489 -10.994 1.00 0.00 H new ATOM 0 HD1 TRP A 29 7.786 -10.436 -9.238 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.197 -12.636 -10.465 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.015 -8.439 -13.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.709 -13.368 -12.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 4.037 -9.948 -14.712 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.386 -12.381 -14.572 1.00 0.00 H new ATOM 408 N PHE A 30 8.462 -5.361 -12.116 1.00 0.00 N ATOM 409 CA PHE A 30 8.292 -3.975 -12.549 1.00 0.00 C ATOM 410 C PHE A 30 7.239 -3.927 -13.662 1.00 0.00 C ATOM 411 O PHE A 30 6.777 -4.957 -14.151 1.00 0.00 O ATOM 412 CB PHE A 30 9.640 -3.383 -13.044 1.00 0.00 C ATOM 413 CG PHE A 30 10.741 -3.382 -11.989 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.896 -2.309 -11.113 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.627 -4.455 -11.877 1.00 0.00 C ATOM 416 CE1 PHE A 30 11.894 -2.310 -10.155 1.00 0.00 C ATOM 417 CE2 PHE A 30 12.627 -4.455 -10.921 1.00 0.00 C ATOM 418 CZ PHE A 30 12.763 -3.384 -10.062 1.00 0.00 C ATOM 0 H PHE A 30 9.009 -5.922 -12.769 1.00 0.00 H new ATOM 0 HA PHE A 30 7.957 -3.371 -11.705 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.980 -3.953 -13.909 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.474 -2.360 -13.382 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.227 -1.464 -11.183 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.530 -5.297 -12.546 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.995 -1.473 -9.480 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.302 -5.295 -10.847 1.00 0.00 H new ATOM 0 HZ PHE A 30 13.546 -3.383 -9.318 1.00 0.00 H new ATOM 428 N HIS A 31 6.850 -2.709 -14.040 1.00 0.00 N ATOM 429 CA HIS A 31 5.852 -2.475 -15.098 1.00 0.00 C ATOM 430 C HIS A 31 6.554 -1.915 -16.344 1.00 0.00 C ATOM 431 O HIS A 31 7.198 -0.867 -16.258 1.00 0.00 O ATOM 432 CB HIS A 31 4.706 -1.524 -14.622 1.00 0.00 C ATOM 433 CG HIS A 31 4.844 -0.926 -13.241 1.00 0.00 C ATOM 434 ND1 HIS A 31 3.833 -0.878 -12.329 1.00 0.00 N ATOM 435 CD2 HIS A 31 5.809 -0.126 -12.758 1.00 0.00 C ATOM 436 CE1 HIS A 31 4.199 -0.031 -11.369 1.00 0.00 C ATOM 437 NE2 HIS A 31 5.401 0.494 -11.598 1.00 0.00 N ATOM 0 H HIS A 31 7.215 -1.852 -13.624 1.00 0.00 H new ATOM 0 HA HIS A 31 5.382 -3.427 -15.345 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.623 -0.707 -15.339 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.768 -2.078 -14.660 1.00 0.00 H new ATOM 0 HD1 HIS A 31 2.956 -1.396 -12.373 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.776 0.013 -13.218 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.593 0.203 -10.506 1.00 0.00 H new ATOM 445 N GLN A 32 6.379 -2.610 -17.485 1.00 0.00 N ATOM 446 CA GLN A 32 7.002 -2.276 -18.783 1.00 0.00 C ATOM 447 C GLN A 32 6.841 -0.789 -19.167 1.00 0.00 C ATOM 448 O GLN A 32 7.838 -0.090 -19.388 1.00 0.00 O ATOM 449 CB GLN A 32 6.391 -3.156 -19.908 1.00 0.00 C ATOM 450 CG GLN A 32 6.639 -4.668 -19.767 1.00 0.00 C ATOM 451 CD GLN A 32 6.010 -5.521 -20.877 1.00 0.00 C ATOM 452 OE1 GLN A 32 5.972 -5.005 -22.098 1.00 0.00 O flip ATOM 453 NE2 GLN A 32 5.592 -6.655 -20.643 1.00 0.00 N flip ATOM 0 H GLN A 32 5.787 -3.439 -17.532 1.00 0.00 H new ATOM 0 HA GLN A 32 8.068 -2.474 -18.673 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.315 -2.982 -19.939 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.795 -2.826 -20.865 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.714 -4.848 -19.753 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.248 -5.000 -18.805 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.633 -7.028 -19.695 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.205 -7.222 -21.398 1.00 0.00 H new ATOM 462 N VAL A 33 5.579 -0.312 -19.225 1.00 0.00 N ATOM 463 CA VAL A 33 5.263 1.073 -19.646 1.00 0.00 C ATOM 464 C VAL A 33 5.887 2.102 -18.683 1.00 0.00 C ATOM 465 O VAL A 33 6.271 3.202 -19.081 1.00 0.00 O ATOM 466 CB VAL A 33 3.709 1.349 -19.759 1.00 0.00 C ATOM 467 CG1 VAL A 33 2.994 0.250 -20.586 1.00 0.00 C ATOM 468 CG2 VAL A 33 3.028 1.547 -18.371 1.00 0.00 C ATOM 0 H VAL A 33 4.758 -0.868 -18.985 1.00 0.00 H new ATOM 0 HA VAL A 33 5.695 1.183 -20.641 1.00 0.00 H new ATOM 0 HB VAL A 33 3.604 2.293 -20.294 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.928 0.473 -20.642 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.413 0.222 -21.592 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.138 -0.718 -20.106 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.963 1.733 -18.511 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.163 0.649 -17.768 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.481 2.398 -17.862 1.00 0.00 H new ATOM 478 N CYS A 34 5.980 1.714 -17.397 1.00 0.00 N ATOM 479 CA CYS A 34 6.354 2.638 -16.320 1.00 0.00 C ATOM 480 C CYS A 34 7.879 2.762 -16.164 1.00 0.00 C ATOM 481 O CYS A 34 8.351 3.724 -15.557 1.00 0.00 O ATOM 482 CB CYS A 34 5.729 2.140 -15.024 1.00 0.00 C ATOM 483 SG CYS A 34 5.569 3.362 -13.698 1.00 0.00 S ATOM 0 H CYS A 34 5.799 0.761 -17.082 1.00 0.00 H new ATOM 0 HA CYS A 34 5.984 3.633 -16.568 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.738 1.747 -15.250 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.326 1.307 -14.653 1.00 0.00 H new ATOM 488 N VAL A 35 8.631 1.762 -16.677 1.00 0.00 N ATOM 489 CA VAL A 35 10.112 1.731 -16.582 1.00 0.00 C ATOM 490 C VAL A 35 10.777 1.975 -17.961 1.00 0.00 C ATOM 491 O VAL A 35 11.969 2.283 -18.023 1.00 0.00 O ATOM 492 CB VAL A 35 10.635 0.375 -15.954 1.00 0.00 C ATOM 493 CG1 VAL A 35 10.036 0.147 -14.543 1.00 0.00 C ATOM 494 CG2 VAL A 35 10.349 -0.838 -16.872 1.00 0.00 C ATOM 0 H VAL A 35 8.234 0.959 -17.165 1.00 0.00 H new ATOM 0 HA VAL A 35 10.398 2.544 -15.915 1.00 0.00 H new ATOM 0 HB VAL A 35 11.717 0.464 -15.859 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.412 -0.791 -14.135 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.325 0.969 -13.888 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.949 0.103 -14.612 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.725 -1.747 -16.402 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.274 -0.929 -17.030 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.846 -0.694 -17.831 1.00 0.00 H new ATOM 504 N GLY A 36 9.994 1.833 -19.053 1.00 0.00 N ATOM 505 CA GLY A 36 10.490 2.078 -20.422 1.00 0.00 C ATOM 506 C GLY A 36 10.895 0.809 -21.179 1.00 0.00 C ATOM 507 O GLY A 36 11.571 0.892 -22.211 1.00 0.00 O ATOM 0 H GLY A 36 9.015 1.550 -19.011 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.716 2.595 -20.990 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.349 2.747 -20.371 1.00 0.00 H new ATOM 511 N VAL A 37 10.477 -0.364 -20.676 1.00 0.00 N ATOM 512 CA VAL A 37 10.698 -1.665 -21.353 1.00 0.00 C ATOM 513 C VAL A 37 9.555 -1.929 -22.362 1.00 0.00 C ATOM 514 O VAL A 37 8.378 -1.792 -22.020 1.00 0.00 O ATOM 515 CB VAL A 37 10.800 -2.834 -20.291 1.00 0.00 C ATOM 516 CG1 VAL A 37 10.747 -4.243 -20.934 1.00 0.00 C ATOM 517 CG2 VAL A 37 12.082 -2.685 -19.439 1.00 0.00 C ATOM 0 H VAL A 37 9.977 -0.444 -19.791 1.00 0.00 H new ATOM 0 HA VAL A 37 11.641 -1.628 -21.898 1.00 0.00 H new ATOM 0 HB VAL A 37 9.924 -2.745 -19.649 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.821 -5.002 -20.155 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.805 -4.364 -21.469 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.577 -4.356 -21.631 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.134 -3.498 -18.715 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.957 -2.721 -20.088 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.060 -1.731 -18.912 1.00 0.00 H new ATOM 527 N SER A 38 9.916 -2.280 -23.612 1.00 0.00 N ATOM 528 CA SER A 38 8.940 -2.669 -24.656 1.00 0.00 C ATOM 529 C SER A 38 8.556 -4.162 -24.483 1.00 0.00 C ATOM 530 O SER A 38 9.259 -4.887 -23.770 1.00 0.00 O ATOM 531 CB SER A 38 9.549 -2.390 -26.059 1.00 0.00 C ATOM 532 OG SER A 38 10.671 -3.214 -26.324 1.00 0.00 O ATOM 0 H SER A 38 10.886 -2.303 -23.928 1.00 0.00 H new ATOM 0 HA SER A 38 8.029 -2.079 -24.558 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.789 -2.555 -26.823 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.845 -1.343 -26.124 1.00 0.00 H new ATOM 0 HG SER A 38 11.024 -3.010 -27.215 1.00 0.00 H new ATOM 538 N PRO A 39 7.438 -4.673 -25.120 1.00 0.00 N ATOM 539 CA PRO A 39 7.088 -6.122 -25.059 1.00 0.00 C ATOM 540 C PRO A 39 8.175 -6.992 -25.731 1.00 0.00 C ATOM 541 O PRO A 39 8.363 -8.166 -25.374 1.00 0.00 O ATOM 542 CB PRO A 39 5.728 -6.204 -25.808 1.00 0.00 C ATOM 543 CG PRO A 39 5.708 -4.993 -26.692 1.00 0.00 C ATOM 544 CD PRO A 39 6.439 -3.910 -25.926 1.00 0.00 C ATOM 0 HA PRO A 39 7.021 -6.501 -24.039 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.652 -7.122 -26.391 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.891 -6.199 -25.110 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.197 -5.196 -27.645 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.685 -4.690 -26.917 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.922 -3.199 -26.597 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.761 -3.339 -25.291 1.00 0.00 H new ATOM 552 N GLU A 40 8.899 -6.372 -26.686 1.00 0.00 N ATOM 553 CA GLU A 40 10.055 -6.972 -27.348 1.00 0.00 C ATOM 554 C GLU A 40 11.184 -7.199 -26.328 1.00 0.00 C ATOM 555 O GLU A 40 11.679 -8.307 -26.195 1.00 0.00 O ATOM 556 CB GLU A 40 10.548 -6.046 -28.491 1.00 0.00 C ATOM 557 CG GLU A 40 11.707 -6.621 -29.329 1.00 0.00 C ATOM 558 CD GLU A 40 12.240 -5.634 -30.385 1.00 0.00 C ATOM 559 OE1 GLU A 40 11.712 -5.609 -31.519 1.00 0.00 O ATOM 560 OE2 GLU A 40 13.184 -4.869 -30.078 1.00 0.00 O ATOM 0 H GLU A 40 8.687 -5.430 -27.016 1.00 0.00 H new ATOM 0 HA GLU A 40 9.764 -7.933 -27.772 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.710 -5.831 -29.154 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.865 -5.096 -28.060 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.522 -6.906 -28.663 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.370 -7.530 -29.828 1.00 0.00 H new ATOM 567 N MET A 41 11.542 -6.128 -25.582 1.00 0.00 N ATOM 568 CA MET A 41 12.617 -6.164 -24.552 1.00 0.00 C ATOM 569 C MET A 41 12.280 -7.142 -23.415 1.00 0.00 C ATOM 570 O MET A 41 13.173 -7.792 -22.873 1.00 0.00 O ATOM 571 CB MET A 41 12.856 -4.748 -23.955 1.00 0.00 C ATOM 572 CG MET A 41 13.455 -3.729 -24.924 1.00 0.00 C ATOM 573 SD MET A 41 13.528 -2.073 -24.207 1.00 0.00 S ATOM 574 CE MET A 41 14.213 -1.125 -25.566 1.00 0.00 C ATOM 0 H MET A 41 11.097 -5.215 -25.674 1.00 0.00 H new ATOM 0 HA MET A 41 13.524 -6.508 -25.049 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.906 -4.361 -23.586 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.518 -4.841 -23.094 1.00 0.00 H new ATOM 0 HG2 MET A 41 14.459 -4.045 -25.208 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.859 -3.703 -25.836 1.00 0.00 H new ATOM 0 HE1 MET A 41 14.315 -0.082 -25.267 1.00 0.00 H new ATOM 0 HE2 MET A 41 15.192 -1.524 -25.830 1.00 0.00 H new ATOM 0 HE3 MET A 41 13.549 -1.193 -26.428 1.00 0.00 H new ATOM 584 N ALA A 42 10.985 -7.216 -23.062 1.00 0.00 N ATOM 585 CA ALA A 42 10.486 -8.075 -21.969 1.00 0.00 C ATOM 586 C ALA A 42 10.623 -9.578 -22.302 1.00 0.00 C ATOM 587 O ALA A 42 10.943 -10.388 -21.423 1.00 0.00 O ATOM 588 CB ALA A 42 9.020 -7.718 -21.650 1.00 0.00 C ATOM 0 H ALA A 42 10.251 -6.681 -23.527 1.00 0.00 H new ATOM 0 HA ALA A 42 11.102 -7.888 -21.089 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.658 -8.355 -20.843 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.958 -6.674 -21.344 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.406 -7.873 -22.538 1.00 0.00 H new ATOM 594 N GLU A 43 10.361 -9.942 -23.571 1.00 0.00 N ATOM 595 CA GLU A 43 10.404 -11.349 -24.029 1.00 0.00 C ATOM 596 C GLU A 43 11.839 -11.769 -24.418 1.00 0.00 C ATOM 597 O GLU A 43 12.307 -12.846 -24.032 1.00 0.00 O ATOM 598 CB GLU A 43 9.441 -11.548 -25.231 1.00 0.00 C ATOM 599 CG GLU A 43 9.393 -12.987 -25.785 1.00 0.00 C ATOM 600 CD GLU A 43 8.355 -13.171 -26.903 1.00 0.00 C ATOM 601 OE1 GLU A 43 8.675 -12.898 -28.081 1.00 0.00 O ATOM 602 OE2 GLU A 43 7.207 -13.592 -26.607 1.00 0.00 O ATOM 0 H GLU A 43 10.115 -9.277 -24.305 1.00 0.00 H new ATOM 0 HA GLU A 43 10.082 -11.983 -23.203 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.436 -11.256 -24.926 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.739 -10.874 -26.034 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.378 -13.256 -26.165 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.167 -13.675 -24.971 1.00 0.00 H new ATOM 609 N LYS A 44 12.518 -10.897 -25.179 1.00 0.00 N ATOM 610 CA LYS A 44 13.861 -11.150 -25.741 1.00 0.00 C ATOM 611 C LYS A 44 14.913 -11.183 -24.620 1.00 0.00 C ATOM 612 O LYS A 44 15.648 -12.163 -24.463 1.00 0.00 O ATOM 613 CB LYS A 44 14.204 -10.036 -26.777 1.00 0.00 C ATOM 614 CG LYS A 44 15.637 -10.065 -27.362 1.00 0.00 C ATOM 615 CD LYS A 44 15.914 -11.293 -28.254 1.00 0.00 C ATOM 616 CE LYS A 44 17.307 -11.260 -28.911 1.00 0.00 C ATOM 617 NZ LYS A 44 17.492 -12.374 -29.879 1.00 0.00 N ATOM 0 H LYS A 44 12.146 -9.980 -25.427 1.00 0.00 H new ATOM 0 HA LYS A 44 13.866 -12.119 -26.240 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.495 -10.106 -27.602 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.047 -9.067 -26.303 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.801 -9.158 -27.945 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.356 -10.052 -26.543 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.823 -12.198 -27.654 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.153 -11.349 -29.032 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.444 -10.308 -29.423 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.074 -11.319 -28.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.442 -12.315 -30.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.387 -13.284 -29.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.777 -12.303 -30.631 1.00 0.00 H new ATOM 631 N GLU A 45 14.939 -10.106 -23.831 1.00 0.00 N ATOM 632 CA GLU A 45 15.932 -9.902 -22.765 1.00 0.00 C ATOM 633 C GLU A 45 15.261 -9.995 -21.393 1.00 0.00 C ATOM 634 O GLU A 45 14.032 -9.900 -21.273 1.00 0.00 O ATOM 635 CB GLU A 45 16.606 -8.513 -22.945 1.00 0.00 C ATOM 636 CG GLU A 45 17.355 -8.340 -24.276 1.00 0.00 C ATOM 637 CD GLU A 45 17.970 -6.942 -24.439 1.00 0.00 C ATOM 638 OE1 GLU A 45 19.058 -6.693 -23.873 1.00 0.00 O ATOM 639 OE2 GLU A 45 17.372 -6.088 -25.130 1.00 0.00 O ATOM 0 H GLU A 45 14.267 -9.343 -23.912 1.00 0.00 H new ATOM 0 HA GLU A 45 16.693 -10.679 -22.828 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.842 -7.739 -22.868 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.306 -8.353 -22.125 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.144 -9.089 -24.343 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.668 -8.527 -25.101 1.00 0.00 H new ATOM 646 N ASP A 46 16.083 -10.230 -20.370 1.00 0.00 N ATOM 647 CA ASP A 46 15.690 -10.006 -18.980 1.00 0.00 C ATOM 648 C ASP A 46 15.942 -8.530 -18.647 1.00 0.00 C ATOM 649 O ASP A 46 16.987 -7.979 -19.021 1.00 0.00 O ATOM 650 CB ASP A 46 16.497 -10.918 -18.012 1.00 0.00 C ATOM 651 CG ASP A 46 16.206 -10.649 -16.514 1.00 0.00 C ATOM 652 OD1 ASP A 46 15.041 -10.400 -16.160 1.00 0.00 O ATOM 653 OD2 ASP A 46 17.142 -10.693 -15.686 1.00 0.00 O ATOM 0 H ASP A 46 17.035 -10.579 -20.481 1.00 0.00 H new ATOM 0 HA ASP A 46 14.636 -10.253 -18.856 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.270 -11.960 -18.235 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.562 -10.777 -18.197 1.00 0.00 H new ATOM 658 N TYR A 47 14.980 -7.885 -17.977 1.00 0.00 N ATOM 659 CA TYR A 47 15.201 -6.564 -17.378 1.00 0.00 C ATOM 660 C TYR A 47 16.079 -6.756 -16.129 1.00 0.00 C ATOM 661 O TYR A 47 15.578 -6.877 -15.002 1.00 0.00 O ATOM 662 CB TYR A 47 13.846 -5.875 -17.055 1.00 0.00 C ATOM 663 CG TYR A 47 13.971 -4.512 -16.348 1.00 0.00 C ATOM 664 CD1 TYR A 47 14.689 -3.459 -16.925 1.00 0.00 C ATOM 665 CD2 TYR A 47 13.384 -4.282 -15.099 1.00 0.00 C ATOM 666 CE1 TYR A 47 14.816 -2.244 -16.284 1.00 0.00 C ATOM 667 CE2 TYR A 47 13.511 -3.062 -14.462 1.00 0.00 C ATOM 668 CZ TYR A 47 14.223 -2.051 -15.054 1.00 0.00 C ATOM 669 OH TYR A 47 14.346 -0.838 -14.411 1.00 0.00 O ATOM 0 H TYR A 47 14.041 -8.257 -17.836 1.00 0.00 H new ATOM 0 HA TYR A 47 15.716 -5.902 -18.074 1.00 0.00 H new ATOM 0 HB2 TYR A 47 13.293 -5.738 -17.984 1.00 0.00 H new ATOM 0 HB3 TYR A 47 13.255 -6.542 -16.427 1.00 0.00 H new ATOM 0 HD1 TYR A 47 15.153 -3.600 -17.890 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.821 -5.072 -14.624 1.00 0.00 H new ATOM 0 HE1 TYR A 47 15.379 -1.446 -16.745 1.00 0.00 H new ATOM 0 HE2 TYR A 47 13.050 -2.905 -13.498 1.00 0.00 H new ATOM 0 HH TYR A 47 13.868 -0.871 -13.556 1.00 0.00 H new ATOM 679 N ILE A 48 17.403 -6.856 -16.365 1.00 0.00 N ATOM 680 CA ILE A 48 18.372 -7.169 -15.309 1.00 0.00 C ATOM 681 C ILE A 48 18.576 -5.927 -14.437 1.00 0.00 C ATOM 682 O ILE A 48 19.223 -4.964 -14.861 1.00 0.00 O ATOM 683 CB ILE A 48 19.773 -7.646 -15.871 1.00 0.00 C ATOM 684 CG1 ILE A 48 19.604 -8.690 -17.017 1.00 0.00 C ATOM 685 CG2 ILE A 48 20.641 -8.229 -14.722 1.00 0.00 C ATOM 686 CD1 ILE A 48 20.907 -9.149 -17.668 1.00 0.00 C ATOM 0 H ILE A 48 17.822 -6.723 -17.285 1.00 0.00 H new ATOM 0 HA ILE A 48 17.962 -7.997 -14.730 1.00 0.00 H new ATOM 0 HB ILE A 48 20.281 -6.778 -16.291 1.00 0.00 H new ATOM 0 HG12 ILE A 48 19.087 -9.563 -16.620 1.00 0.00 H new ATOM 0 HG13 ILE A 48 18.962 -8.262 -17.787 1.00 0.00 H new ATOM 0 HG21 ILE A 48 21.602 -8.554 -15.121 1.00 0.00 H new ATOM 0 HG22 ILE A 48 20.803 -7.463 -13.964 1.00 0.00 H new ATOM 0 HG23 ILE A 48 20.128 -9.080 -14.274 1.00 0.00 H new ATOM 0 HD11 ILE A 48 20.687 -9.873 -18.452 1.00 0.00 H new ATOM 0 HD12 ILE A 48 21.420 -8.290 -18.101 1.00 0.00 H new ATOM 0 HD13 ILE A 48 21.546 -9.612 -16.916 1.00 0.00 H new ATOM 698 N CYS A 49 17.985 -5.960 -13.234 1.00 0.00 N ATOM 699 CA CYS A 49 18.126 -4.879 -12.250 1.00 0.00 C ATOM 700 C CYS A 49 19.530 -4.913 -11.616 1.00 0.00 C ATOM 701 O CYS A 49 20.192 -5.975 -11.595 1.00 0.00 O ATOM 702 CB CYS A 49 17.065 -5.003 -11.136 1.00 0.00 C ATOM 703 SG CYS A 49 17.408 -6.343 -9.946 1.00 0.00 S ATOM 0 H CYS A 49 17.399 -6.733 -12.918 1.00 0.00 H new ATOM 0 HA CYS A 49 17.982 -3.933 -12.772 1.00 0.00 H new ATOM 0 HB2 CYS A 49 17.003 -4.057 -10.598 1.00 0.00 H new ATOM 0 HB3 CYS A 49 16.090 -5.174 -11.592 1.00 0.00 H new ATOM 708 N VAL A 50 19.941 -3.760 -11.063 1.00 0.00 N ATOM 709 CA VAL A 50 21.240 -3.583 -10.375 1.00 0.00 C ATOM 710 C VAL A 50 21.485 -4.633 -9.266 1.00 0.00 C ATOM 711 O VAL A 50 22.623 -5.056 -9.062 1.00 0.00 O ATOM 712 CB VAL A 50 21.369 -2.129 -9.777 1.00 0.00 C ATOM 713 CG1 VAL A 50 21.469 -1.074 -10.910 1.00 0.00 C ATOM 714 CG2 VAL A 50 20.192 -1.811 -8.810 1.00 0.00 C ATOM 0 H VAL A 50 19.376 -2.911 -11.079 1.00 0.00 H new ATOM 0 HA VAL A 50 22.007 -3.731 -11.135 1.00 0.00 H new ATOM 0 HB VAL A 50 22.290 -2.085 -9.196 1.00 0.00 H new ATOM 0 HG11 VAL A 50 21.557 -0.079 -10.474 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.346 -1.281 -11.523 1.00 0.00 H new ATOM 0 HG13 VAL A 50 20.574 -1.120 -11.530 1.00 0.00 H new ATOM 0 HG21 VAL A 50 20.309 -0.802 -8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 50 19.248 -1.882 -9.350 1.00 0.00 H new ATOM 0 HG23 VAL A 50 20.194 -2.526 -7.987 1.00 0.00 H new ATOM 724 N ARG A 51 20.401 -5.066 -8.582 1.00 0.00 N ATOM 725 CA ARG A 51 20.483 -6.085 -7.510 1.00 0.00 C ATOM 726 C ARG A 51 21.021 -7.422 -8.047 1.00 0.00 C ATOM 727 O ARG A 51 21.849 -8.061 -7.405 1.00 0.00 O ATOM 728 CB ARG A 51 19.112 -6.304 -6.819 1.00 0.00 C ATOM 729 CG ARG A 51 18.597 -5.079 -6.043 1.00 0.00 C ATOM 730 CD ARG A 51 17.342 -5.383 -5.210 1.00 0.00 C ATOM 731 NE ARG A 51 16.915 -4.237 -4.389 1.00 0.00 N ATOM 732 CZ ARG A 51 16.027 -4.293 -3.383 1.00 0.00 C ATOM 733 NH1 ARG A 51 15.456 -5.443 -3.041 1.00 0.00 N ATOM 734 NH2 ARG A 51 15.721 -3.197 -2.719 1.00 0.00 N ATOM 0 H ARG A 51 19.456 -4.724 -8.754 1.00 0.00 H new ATOM 0 HA ARG A 51 21.182 -5.702 -6.766 1.00 0.00 H new ATOM 0 HB2 ARG A 51 18.376 -6.578 -7.575 1.00 0.00 H new ATOM 0 HB3 ARG A 51 19.193 -7.147 -6.133 1.00 0.00 H new ATOM 0 HG2 ARG A 51 19.385 -4.715 -5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 51 18.374 -4.277 -6.747 1.00 0.00 H new ATOM 0 HD2 ARG A 51 16.529 -5.670 -5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 51 17.539 -6.236 -4.561 1.00 0.00 H new ATOM 0 HE ARG A 51 17.327 -3.328 -4.602 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.690 -6.298 -3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.783 -5.470 -2.275 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.158 -2.310 -2.970 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.047 -3.235 -1.954 1.00 0.00 H new ATOM 748 N CYS A 52 20.551 -7.816 -9.245 1.00 0.00 N ATOM 749 CA CYS A 52 20.996 -9.062 -9.914 1.00 0.00 C ATOM 750 C CYS A 52 22.459 -8.945 -10.369 1.00 0.00 C ATOM 751 O CYS A 52 23.214 -9.920 -10.297 1.00 0.00 O ATOM 752 CB CYS A 52 20.080 -9.402 -11.111 1.00 0.00 C ATOM 753 SG CYS A 52 18.442 -10.002 -10.626 1.00 0.00 S ATOM 0 H CYS A 52 19.858 -7.288 -9.776 1.00 0.00 H new ATOM 0 HA CYS A 52 20.927 -9.875 -9.191 1.00 0.00 H new ATOM 0 HB2 CYS A 52 19.963 -8.513 -11.731 1.00 0.00 H new ATOM 0 HB3 CYS A 52 20.567 -10.159 -11.726 1.00 0.00 H new ATOM 758 N THR A 53 22.839 -7.736 -10.816 1.00 0.00 N ATOM 759 CA THR A 53 24.193 -7.442 -11.313 1.00 0.00 C ATOM 760 C THR A 53 25.253 -7.596 -10.191 1.00 0.00 C ATOM 761 O THR A 53 26.277 -8.259 -10.377 1.00 0.00 O ATOM 762 CB THR A 53 24.248 -5.994 -11.910 1.00 0.00 C ATOM 763 OG1 THR A 53 23.178 -5.824 -12.861 1.00 0.00 O ATOM 764 CG2 THR A 53 25.600 -5.700 -12.597 1.00 0.00 C ATOM 0 H THR A 53 22.212 -6.932 -10.843 1.00 0.00 H new ATOM 0 HA THR A 53 24.425 -8.163 -12.097 1.00 0.00 H new ATOM 0 HB THR A 53 24.136 -5.291 -11.084 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.212 -4.918 -13.233 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.592 -4.686 -12.996 1.00 0.00 H new ATOM 0 HG22 THR A 53 26.406 -5.798 -11.870 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.756 -6.408 -13.410 1.00 0.00 H new ATOM 772 N VAL A 54 24.963 -6.999 -9.023 1.00 0.00 N ATOM 773 CA VAL A 54 25.864 -7.030 -7.850 1.00 0.00 C ATOM 774 C VAL A 54 25.921 -8.454 -7.248 1.00 0.00 C ATOM 775 O VAL A 54 26.989 -8.930 -6.840 1.00 0.00 O ATOM 776 CB VAL A 54 25.404 -5.990 -6.753 1.00 0.00 C ATOM 777 CG1 VAL A 54 26.369 -5.967 -5.534 1.00 0.00 C ATOM 778 CG2 VAL A 54 25.249 -4.571 -7.355 1.00 0.00 C ATOM 0 H VAL A 54 24.099 -6.481 -8.862 1.00 0.00 H new ATOM 0 HA VAL A 54 26.863 -6.751 -8.186 1.00 0.00 H new ATOM 0 HB VAL A 54 24.428 -6.318 -6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.016 -5.239 -4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 54 26.399 -6.955 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 54 27.369 -5.691 -5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 54 24.932 -3.878 -6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 54 26.204 -4.243 -7.765 1.00 0.00 H new ATOM 0 HG23 VAL A 54 24.502 -4.592 -8.148 1.00 0.00 H new ATOM 788 N LYS A 55 24.756 -9.129 -7.239 1.00 0.00 N ATOM 789 CA LYS A 55 24.582 -10.466 -6.633 1.00 0.00 C ATOM 790 C LYS A 55 25.329 -11.565 -7.414 1.00 0.00 C ATOM 791 O LYS A 55 25.916 -12.473 -6.811 1.00 0.00 O ATOM 792 CB LYS A 55 23.068 -10.802 -6.547 1.00 0.00 C ATOM 793 CG LYS A 55 22.734 -12.154 -5.881 1.00 0.00 C ATOM 794 CD LYS A 55 21.215 -12.348 -5.670 1.00 0.00 C ATOM 795 CE LYS A 55 20.878 -13.667 -4.955 1.00 0.00 C ATOM 796 NZ LYS A 55 19.419 -13.825 -4.721 1.00 0.00 N ATOM 0 H LYS A 55 23.901 -8.760 -7.655 1.00 0.00 H new ATOM 0 HA LYS A 55 25.014 -10.437 -5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 55 22.566 -10.008 -5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 55 22.653 -10.799 -7.555 1.00 0.00 H new ATOM 0 HG2 LYS A 55 23.119 -12.965 -6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 55 23.243 -12.218 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 55 20.824 -11.514 -5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 55 20.712 -12.325 -6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 55 21.241 -14.504 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 55 21.403 -13.705 -4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.241 -14.728 -4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 19.075 -13.042 -4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 18.918 -13.816 -5.632 1.00 0.00 H new ATOM 810 N ASP A 56 25.317 -11.467 -8.752 1.00 0.00 N ATOM 811 CA ASP A 56 25.866 -12.521 -9.628 1.00 0.00 C ATOM 812 C ASP A 56 26.345 -11.928 -10.958 1.00 0.00 C ATOM 813 O ASP A 56 27.534 -12.023 -11.297 1.00 0.00 O ATOM 814 CB ASP A 56 24.788 -13.621 -9.878 1.00 0.00 C ATOM 815 CG ASP A 56 25.274 -14.778 -10.778 1.00 0.00 C ATOM 816 OD1 ASP A 56 25.976 -15.683 -10.274 1.00 0.00 O ATOM 817 OD2 ASP A 56 24.963 -14.783 -11.990 1.00 0.00 O ATOM 0 H ASP A 56 24.933 -10.667 -9.255 1.00 0.00 H new ATOM 0 HA ASP A 56 26.724 -12.974 -9.131 1.00 0.00 H new ATOM 0 HB2 ASP A 56 24.469 -14.029 -8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.912 -13.161 -10.335 1.00 0.00 H new ATOM 822 N ALA A 57 25.392 -11.304 -11.677 1.00 0.00 N ATOM 823 CA ALA A 57 25.556 -10.838 -13.071 1.00 0.00 C ATOM 824 C ALA A 57 25.797 -12.039 -14.012 1.00 0.00 C ATOM 825 O ALA A 57 26.931 -12.536 -14.082 1.00 0.00 O ATOM 826 CB ALA A 57 26.670 -9.771 -13.224 1.00 0.00 C ATOM 0 H ALA A 57 24.466 -11.105 -11.298 1.00 0.00 H new ATOM 0 HA ALA A 57 24.626 -10.346 -13.357 1.00 0.00 H new ATOM 0 HB1 ALA A 57 26.743 -9.468 -14.269 1.00 0.00 H new ATOM 0 HB2 ALA A 57 26.429 -8.903 -12.611 1.00 0.00 H new ATOM 0 HB3 ALA A 57 27.623 -10.191 -12.901 1.00 0.00 H new ATOM 832 N PRO A 58 24.722 -12.564 -14.705 1.00 0.00 N ATOM 833 CA PRO A 58 24.863 -13.627 -15.733 1.00 0.00 C ATOM 834 C PRO A 58 25.694 -13.131 -16.940 1.00 0.00 C ATOM 835 O PRO A 58 25.156 -12.779 -17.997 1.00 0.00 O ATOM 836 CB PRO A 58 23.395 -13.985 -16.118 1.00 0.00 C ATOM 837 CG PRO A 58 22.561 -13.415 -15.010 1.00 0.00 C ATOM 838 CD PRO A 58 23.294 -12.193 -14.517 1.00 0.00 C ATOM 0 HA PRO A 58 25.404 -14.501 -15.370 1.00 0.00 H new ATOM 0 HB2 PRO A 58 23.122 -13.554 -17.081 1.00 0.00 H new ATOM 0 HB3 PRO A 58 23.259 -15.063 -16.201 1.00 0.00 H new ATOM 0 HG2 PRO A 58 21.565 -13.154 -15.368 1.00 0.00 H new ATOM 0 HG3 PRO A 58 22.431 -14.141 -14.208 1.00 0.00 H new ATOM 0 HD2 PRO A 58 23.029 -11.304 -15.090 1.00 0.00 H new ATOM 0 HD3 PRO A 58 23.066 -11.979 -13.473 1.00 0.00 H new ATOM 846 N SER A 59 27.012 -13.083 -16.727 1.00 0.00 N ATOM 847 CA SER A 59 27.974 -12.452 -17.636 1.00 0.00 C ATOM 848 C SER A 59 29.380 -13.003 -17.363 1.00 0.00 C ATOM 849 O SER A 59 29.671 -13.504 -16.262 1.00 0.00 O ATOM 850 CB SER A 59 27.935 -10.911 -17.463 1.00 0.00 C ATOM 851 OG SER A 59 28.796 -10.237 -18.371 1.00 0.00 O ATOM 0 H SER A 59 27.450 -13.490 -15.900 1.00 0.00 H new ATOM 0 HA SER A 59 27.708 -12.683 -18.667 1.00 0.00 H new ATOM 0 HB2 SER A 59 26.914 -10.559 -17.607 1.00 0.00 H new ATOM 0 HB3 SER A 59 28.219 -10.656 -16.442 1.00 0.00 H new ATOM 0 HG SER A 59 28.735 -9.270 -18.224 1.00 0.00 H new ATOM 857 N ARG A 60 30.246 -12.896 -18.374 1.00 0.00 N ATOM 858 CA ARG A 60 31.607 -13.444 -18.337 1.00 0.00 C ATOM 859 C ARG A 60 32.568 -12.533 -17.552 1.00 0.00 C ATOM 860 O ARG A 60 32.514 -11.301 -17.672 1.00 0.00 O ATOM 861 CB ARG A 60 32.122 -13.683 -19.774 1.00 0.00 C ATOM 862 CG ARG A 60 32.099 -12.438 -20.692 1.00 0.00 C ATOM 863 CD ARG A 60 32.653 -12.739 -22.089 1.00 0.00 C ATOM 864 NE ARG A 60 34.070 -13.167 -22.038 1.00 0.00 N ATOM 865 CZ ARG A 60 34.617 -14.173 -22.747 1.00 0.00 C ATOM 866 NH1 ARG A 60 33.890 -14.868 -23.619 1.00 0.00 N ATOM 867 NH2 ARG A 60 35.894 -14.467 -22.589 1.00 0.00 N ATOM 0 H ARG A 60 30.022 -12.423 -19.249 1.00 0.00 H new ATOM 0 HA ARG A 60 31.571 -14.399 -17.812 1.00 0.00 H new ATOM 0 HB2 ARG A 60 33.144 -14.057 -19.720 1.00 0.00 H new ATOM 0 HB3 ARG A 60 31.520 -14.466 -20.234 1.00 0.00 H new ATOM 0 HG2 ARG A 60 31.076 -12.072 -20.780 1.00 0.00 H new ATOM 0 HG3 ARG A 60 32.685 -11.641 -20.235 1.00 0.00 H new ATOM 0 HD2 ARG A 60 32.054 -13.520 -22.557 1.00 0.00 H new ATOM 0 HD3 ARG A 60 32.564 -11.851 -22.715 1.00 0.00 H new ATOM 0 HE ARG A 60 34.687 -12.653 -21.409 1.00 0.00 H new ATOM 0 HH11 ARG A 60 32.905 -14.641 -23.757 1.00 0.00 H new ATOM 0 HH12 ARG A 60 34.318 -15.627 -24.149 1.00 0.00 H new ATOM 0 HH21 ARG A 60 36.463 -13.933 -21.932 1.00 0.00 H new ATOM 0 HH22 ARG A 60 36.312 -15.228 -23.124 1.00 0.00 H new ATOM 881 N LYS A 61 33.444 -13.164 -16.748 1.00 0.00 N ATOM 882 CA LYS A 61 34.466 -12.469 -15.947 1.00 0.00 C ATOM 883 C LYS A 61 35.650 -13.450 -15.663 1.00 0.00 C ATOM 884 O LYS A 61 35.975 -13.743 -14.492 1.00 0.00 O ATOM 885 CB LYS A 61 33.813 -11.861 -14.649 1.00 0.00 C ATOM 886 CG LYS A 61 32.972 -12.853 -13.806 1.00 0.00 C ATOM 887 CD LYS A 61 32.287 -12.181 -12.593 1.00 0.00 C ATOM 888 CE LYS A 61 31.644 -13.194 -11.627 1.00 0.00 C ATOM 889 NZ LYS A 61 32.656 -14.110 -11.018 1.00 0.00 N ATOM 890 OXT LYS A 61 36.228 -13.960 -16.645 1.00 0.00 O ATOM 0 H LYS A 61 33.462 -14.178 -16.636 1.00 0.00 H new ATOM 0 HA LYS A 61 34.882 -11.623 -16.494 1.00 0.00 H new ATOM 0 HB2 LYS A 61 34.605 -11.455 -14.020 1.00 0.00 H new ATOM 0 HB3 LYS A 61 33.176 -11.025 -14.939 1.00 0.00 H new ATOM 0 HG2 LYS A 61 32.211 -13.307 -14.441 1.00 0.00 H new ATOM 0 HG3 LYS A 61 33.616 -13.659 -13.453 1.00 0.00 H new ATOM 0 HD2 LYS A 61 33.022 -11.587 -12.051 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.522 -11.492 -12.951 1.00 0.00 H new ATOM 0 HE2 LYS A 61 31.119 -12.658 -10.837 1.00 0.00 H new ATOM 0 HE3 LYS A 61 30.899 -13.782 -12.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 32.231 -14.609 -10.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 32.969 -14.803 -11.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 33.473 -13.556 -10.691 1.00 0.00 H new TER 904 LYS A 61 HETATM 905 ZN ZN A 101 5.658 2.550 -11.491 1.00 0.00 ZN HETATM 906 ZN ZN A 102 16.678 -8.471 -10.556 1.00 0.00 ZN