USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=10 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 Single : A 1 SER N :NH3+ 177:sc= -0.0671 (180deg=-0.0818) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -134:sc=-0.000246 (180deg=-0.728) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 21 GLN : amide:sc= 0.231 X(o=0.23,f=-0.11) USER MOD Single : A 25 SER OG : rot -16:sc= 0.416 USER MOD Single : A 27 ASN : amide:sc= -0.0638 K(o=-0.064,f=-2!) USER MOD Single : A 28 GLN : amide:sc= -0.024 X(o=-0.024,f=-0.25) USER MOD Single : A 32 GLN : amide:sc= -1.89! X(o=-1.9!,f=-1.8) USER MOD Single : A 38 SER OG : rot 180:sc= 0 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 59:sc= 0.125 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -38:sc= 0.144 USER MOD Single : A 61 LYS NZ :NH3+ -158:sc= 1.02 (180deg=0.701) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.383 0.353 -1.544 1.00 0.00 N ATOM 2 CA SER A 1 3.206 0.670 -2.729 1.00 0.00 C ATOM 3 C SER A 1 4.567 -0.070 -2.699 1.00 0.00 C ATOM 4 O SER A 1 5.465 0.244 -3.483 1.00 0.00 O ATOM 5 CB SER A 1 3.391 2.204 -2.794 1.00 0.00 C ATOM 6 OG SER A 1 3.937 2.707 -1.585 1.00 0.00 O ATOM 0 H1 SER A 1 1.503 0.906 -1.575 1.00 0.00 H new ATOM 0 H2 SER A 1 2.155 -0.662 -1.541 1.00 0.00 H new ATOM 0 H3 SER A 1 2.911 0.592 -0.681 1.00 0.00 H new ATOM 0 HA SER A 1 2.697 0.324 -3.629 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.047 2.459 -3.626 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.430 2.681 -2.988 1.00 0.00 H new ATOM 0 HG SER A 1 4.045 3.679 -1.654 1.00 0.00 H new ATOM 14 N HIS A 2 4.710 -1.085 -1.817 1.00 0.00 N ATOM 15 CA HIS A 2 5.971 -1.850 -1.681 1.00 0.00 C ATOM 16 C HIS A 2 6.001 -3.079 -2.624 1.00 0.00 C ATOM 17 O HIS A 2 7.064 -3.667 -2.842 1.00 0.00 O ATOM 18 CB HIS A 2 6.187 -2.276 -0.204 1.00 0.00 C ATOM 19 CG HIS A 2 7.579 -2.782 0.085 1.00 0.00 C ATOM 20 ND1 HIS A 2 7.887 -4.102 0.303 1.00 0.00 N ATOM 21 CD2 HIS A 2 8.759 -2.111 0.158 1.00 0.00 C ATOM 22 CE1 HIS A 2 9.203 -4.198 0.487 1.00 0.00 C ATOM 23 NE2 HIS A 2 9.782 -3.017 0.415 1.00 0.00 N ATOM 0 H HIS A 2 3.968 -1.394 -1.189 1.00 0.00 H new ATOM 0 HA HIS A 2 6.792 -1.197 -1.978 1.00 0.00 H new ATOM 0 HB2 HIS A 2 5.978 -1.425 0.444 1.00 0.00 H new ATOM 0 HB3 HIS A 2 5.467 -3.055 0.049 1.00 0.00 H new ATOM 0 HD2 HIS A 2 8.882 -1.045 0.036 1.00 0.00 H new ATOM 0 HE1 HIS A 2 9.727 -5.124 0.671 1.00 0.00 H new ATOM 0 HE2 HIS A 2 10.775 -2.810 0.525 1.00 0.00 H new ATOM 31 N MET A 3 4.834 -3.424 -3.217 1.00 0.00 N ATOM 32 CA MET A 3 4.689 -4.592 -4.142 1.00 0.00 C ATOM 33 C MET A 3 5.528 -4.423 -5.442 1.00 0.00 C ATOM 34 O MET A 3 5.735 -5.385 -6.193 1.00 0.00 O ATOM 35 CB MET A 3 3.191 -4.818 -4.499 1.00 0.00 C ATOM 36 CG MET A 3 2.244 -5.163 -3.326 1.00 0.00 C ATOM 37 SD MET A 3 2.601 -6.747 -2.514 1.00 0.00 S ATOM 38 CE MET A 3 3.761 -6.305 -1.213 1.00 0.00 C ATOM 0 H MET A 3 3.966 -2.909 -3.074 1.00 0.00 H new ATOM 0 HA MET A 3 5.073 -5.466 -3.617 1.00 0.00 H new ATOM 0 HB2 MET A 3 2.817 -3.917 -4.985 1.00 0.00 H new ATOM 0 HB3 MET A 3 3.133 -5.623 -5.232 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.301 -4.367 -2.583 1.00 0.00 H new ATOM 0 HG3 MET A 3 1.219 -5.181 -3.696 1.00 0.00 H new ATOM 0 HE1 MET A 3 4.592 -7.010 -1.212 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.140 -5.298 -1.390 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.255 -6.338 -0.248 1.00 0.00 H new ATOM 48 N CYS A 4 5.995 -3.193 -5.683 1.00 0.00 N ATOM 49 CA CYS A 4 6.878 -2.851 -6.805 1.00 0.00 C ATOM 50 C CYS A 4 8.044 -1.979 -6.276 1.00 0.00 C ATOM 51 O CYS A 4 7.927 -0.747 -6.240 1.00 0.00 O ATOM 52 CB CYS A 4 6.063 -2.122 -7.899 1.00 0.00 C ATOM 53 SG CYS A 4 7.069 -1.405 -9.227 1.00 0.00 S ATOM 0 H CYS A 4 5.766 -2.393 -5.094 1.00 0.00 H new ATOM 0 HA CYS A 4 7.300 -3.751 -7.252 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.353 -2.825 -8.336 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.479 -1.328 -7.432 1.00 0.00 H new ATOM 58 N PRO A 5 9.166 -2.613 -5.772 1.00 0.00 N ATOM 59 CA PRO A 5 10.372 -1.877 -5.295 1.00 0.00 C ATOM 60 C PRO A 5 11.142 -1.190 -6.453 1.00 0.00 C ATOM 61 O PRO A 5 12.125 -1.731 -6.978 1.00 0.00 O ATOM 62 CB PRO A 5 11.228 -2.979 -4.579 1.00 0.00 C ATOM 63 CG PRO A 5 10.290 -4.141 -4.395 1.00 0.00 C ATOM 64 CD PRO A 5 9.341 -4.079 -5.573 1.00 0.00 C ATOM 0 HA PRO A 5 10.117 -1.053 -4.628 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.092 -3.261 -5.181 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.609 -2.623 -3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.833 -5.086 -4.377 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.751 -4.065 -3.451 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.759 -4.561 -6.457 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.394 -4.575 -5.358 1.00 0.00 H new ATOM 72 N ALA A 6 10.642 -0.010 -6.866 1.00 0.00 N ATOM 73 CA ALA A 6 11.230 0.817 -7.935 1.00 0.00 C ATOM 74 C ALA A 6 11.050 2.300 -7.573 1.00 0.00 C ATOM 75 O ALA A 6 9.940 2.713 -7.208 1.00 0.00 O ATOM 76 CB ALA A 6 10.568 0.494 -9.294 1.00 0.00 C ATOM 0 H ALA A 6 9.803 0.402 -6.458 1.00 0.00 H new ATOM 0 HA ALA A 6 12.294 0.598 -8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.014 1.113 -10.072 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.724 -0.558 -9.534 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.499 0.698 -9.236 1.00 0.00 H new ATOM 82 N VAL A 7 12.145 3.082 -7.658 1.00 0.00 N ATOM 83 CA VAL A 7 12.135 4.529 -7.344 1.00 0.00 C ATOM 84 C VAL A 7 11.250 5.277 -8.365 1.00 0.00 C ATOM 85 O VAL A 7 10.295 5.967 -7.984 1.00 0.00 O ATOM 86 CB VAL A 7 13.589 5.138 -7.336 1.00 0.00 C ATOM 87 CG1 VAL A 7 13.578 6.629 -6.892 1.00 0.00 C ATOM 88 CG2 VAL A 7 14.546 4.288 -6.457 1.00 0.00 C ATOM 0 H VAL A 7 13.059 2.732 -7.945 1.00 0.00 H new ATOM 0 HA VAL A 7 11.724 4.652 -6.342 1.00 0.00 H new ATOM 0 HB VAL A 7 13.967 5.108 -8.358 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.596 7.018 -6.898 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.964 7.209 -7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 7 13.166 6.706 -5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 7 15.542 4.731 -6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.173 4.263 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 7 14.596 3.273 -6.850 1.00 0.00 H new ATOM 98 N SER A 8 11.566 5.099 -9.663 1.00 0.00 N ATOM 99 CA SER A 8 10.764 5.634 -10.775 1.00 0.00 C ATOM 100 C SER A 8 9.523 4.737 -10.986 1.00 0.00 C ATOM 101 O SER A 8 9.475 3.913 -11.912 1.00 0.00 O ATOM 102 CB SER A 8 11.634 5.707 -12.060 1.00 0.00 C ATOM 103 OG SER A 8 12.871 6.359 -11.810 1.00 0.00 O ATOM 0 H SER A 8 12.388 4.578 -9.968 1.00 0.00 H new ATOM 0 HA SER A 8 10.424 6.643 -10.541 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.820 4.700 -12.433 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.090 6.240 -12.840 1.00 0.00 H new ATOM 0 HG SER A 8 13.398 6.389 -12.636 1.00 0.00 H new ATOM 109 N CYS A 9 8.542 4.851 -10.075 1.00 0.00 N ATOM 110 CA CYS A 9 7.342 4.012 -10.115 1.00 0.00 C ATOM 111 C CYS A 9 6.186 4.761 -10.786 1.00 0.00 C ATOM 112 O CYS A 9 5.466 5.534 -10.142 1.00 0.00 O ATOM 113 CB CYS A 9 6.935 3.509 -8.715 1.00 0.00 C ATOM 114 SG CYS A 9 5.664 2.206 -8.798 1.00 0.00 S ATOM 0 H CYS A 9 8.561 5.518 -9.303 1.00 0.00 H new ATOM 0 HA CYS A 9 7.581 3.131 -10.711 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.815 3.125 -8.198 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.559 4.345 -8.125 1.00 0.00 H new ATOM 119 N LEU A 10 6.066 4.565 -12.111 1.00 0.00 N ATOM 120 CA LEU A 10 4.927 5.063 -12.893 1.00 0.00 C ATOM 121 C LEU A 10 3.678 4.239 -12.557 1.00 0.00 C ATOM 122 O LEU A 10 3.631 3.034 -12.820 1.00 0.00 O ATOM 123 CB LEU A 10 5.246 5.002 -14.412 1.00 0.00 C ATOM 124 CG LEU A 10 6.468 5.852 -14.874 1.00 0.00 C ATOM 125 CD1 LEU A 10 6.705 5.717 -16.391 1.00 0.00 C ATOM 126 CD2 LEU A 10 6.312 7.334 -14.456 1.00 0.00 C ATOM 0 H LEU A 10 6.755 4.058 -12.666 1.00 0.00 H new ATOM 0 HA LEU A 10 4.738 6.105 -12.635 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.424 3.962 -14.687 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.366 5.332 -14.964 1.00 0.00 H new ATOM 0 HG LEU A 10 7.351 5.460 -14.369 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.564 6.322 -16.680 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.897 4.673 -16.638 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.822 6.060 -16.929 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.180 7.900 -14.793 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.411 7.747 -14.910 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.235 7.400 -13.371 1.00 0.00 H new ATOM 138 N GLN A 11 2.697 4.900 -11.927 1.00 0.00 N ATOM 139 CA GLN A 11 1.460 4.283 -11.442 1.00 0.00 C ATOM 140 C GLN A 11 0.287 4.671 -12.378 1.00 0.00 C ATOM 141 O GLN A 11 -0.132 5.840 -12.394 1.00 0.00 O ATOM 142 CB GLN A 11 1.184 4.741 -9.985 1.00 0.00 C ATOM 143 CG GLN A 11 2.297 4.357 -8.987 1.00 0.00 C ATOM 144 CD GLN A 11 2.063 4.851 -7.551 1.00 0.00 C ATOM 145 OE1 GLN A 11 3.013 5.156 -6.829 1.00 0.00 O ATOM 146 NE2 GLN A 11 0.812 4.890 -7.110 1.00 0.00 N ATOM 0 H GLN A 11 2.745 5.901 -11.737 1.00 0.00 H new ATOM 0 HA GLN A 11 1.561 3.198 -11.446 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.056 5.823 -9.973 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.243 4.305 -9.650 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.396 3.272 -8.973 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.244 4.759 -9.346 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.044 4.632 -7.730 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.618 5.178 -6.151 1.00 0.00 H new ATOM 155 N PRO A 12 -0.221 3.704 -13.205 1.00 0.00 N ATOM 156 CA PRO A 12 -1.468 3.880 -14.010 1.00 0.00 C ATOM 157 C PRO A 12 -2.724 3.854 -13.100 1.00 0.00 C ATOM 158 O PRO A 12 -2.686 4.337 -11.965 1.00 0.00 O ATOM 159 CB PRO A 12 -1.403 2.654 -14.968 1.00 0.00 C ATOM 160 CG PRO A 12 -0.687 1.608 -14.175 1.00 0.00 C ATOM 161 CD PRO A 12 0.390 2.364 -13.433 1.00 0.00 C ATOM 0 HA PRO A 12 -1.537 4.832 -14.537 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.400 2.322 -15.258 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.867 2.894 -15.886 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.362 1.101 -13.486 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.260 0.843 -14.823 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.649 1.876 -12.494 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.307 2.435 -14.018 1.00 0.00 H new ATOM 169 N GLU A 13 -3.838 3.305 -13.604 1.00 0.00 N ATOM 170 CA GLU A 13 -5.013 2.964 -12.765 1.00 0.00 C ATOM 171 C GLU A 13 -4.708 1.786 -11.799 1.00 0.00 C ATOM 172 O GLU A 13 -5.534 1.440 -10.945 1.00 0.00 O ATOM 173 CB GLU A 13 -6.240 2.636 -13.658 1.00 0.00 C ATOM 174 CG GLU A 13 -6.743 3.811 -14.527 1.00 0.00 C ATOM 175 CD GLU A 13 -7.188 5.043 -13.711 1.00 0.00 C ATOM 176 OE1 GLU A 13 -8.330 5.047 -13.195 1.00 0.00 O ATOM 177 OE2 GLU A 13 -6.405 6.015 -13.585 1.00 0.00 O ATOM 0 H GLU A 13 -3.958 3.084 -14.593 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.246 3.836 -12.153 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.983 1.803 -14.312 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.057 2.299 -13.019 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.950 4.108 -15.213 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.580 3.468 -15.136 1.00 0.00 H new ATOM 184 N GLY A 14 -3.518 1.177 -11.958 1.00 0.00 N ATOM 185 CA GLY A 14 -3.022 0.133 -11.068 1.00 0.00 C ATOM 186 C GLY A 14 -2.865 -1.161 -11.834 1.00 0.00 C ATOM 187 O GLY A 14 -1.793 -1.436 -12.385 1.00 0.00 O ATOM 0 H GLY A 14 -2.875 1.404 -12.717 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.065 0.431 -10.640 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.713 -0.007 -10.237 1.00 0.00 H new ATOM 191 N ASP A 15 -3.970 -1.926 -11.918 1.00 0.00 N ATOM 192 CA ASP A 15 -4.054 -3.152 -12.732 1.00 0.00 C ATOM 193 C ASP A 15 -4.668 -2.800 -14.099 1.00 0.00 C ATOM 194 O ASP A 15 -5.789 -3.186 -14.439 1.00 0.00 O ATOM 195 CB ASP A 15 -4.861 -4.253 -11.994 1.00 0.00 C ATOM 196 CG ASP A 15 -4.860 -5.610 -12.737 1.00 0.00 C ATOM 197 OD1 ASP A 15 -3.796 -6.268 -12.792 1.00 0.00 O ATOM 198 OD2 ASP A 15 -5.919 -6.036 -13.241 1.00 0.00 O ATOM 0 H ASP A 15 -4.833 -1.709 -11.420 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.056 -3.558 -12.894 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.445 -4.392 -10.996 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.890 -3.917 -11.866 1.00 0.00 H new ATOM 203 N GLU A 16 -3.905 -2.011 -14.856 1.00 0.00 N ATOM 204 CA GLU A 16 -4.303 -1.492 -16.175 1.00 0.00 C ATOM 205 C GLU A 16 -3.373 -2.092 -17.250 1.00 0.00 C ATOM 206 O GLU A 16 -3.819 -2.792 -18.166 1.00 0.00 O ATOM 207 CB GLU A 16 -4.194 0.064 -16.177 1.00 0.00 C ATOM 208 CG GLU A 16 -4.668 0.744 -17.486 1.00 0.00 C ATOM 209 CD GLU A 16 -4.243 2.221 -17.616 1.00 0.00 C ATOM 210 OE1 GLU A 16 -4.388 2.980 -16.643 1.00 0.00 O ATOM 211 OE2 GLU A 16 -3.764 2.630 -18.697 1.00 0.00 O ATOM 0 H GLU A 16 -2.975 -1.706 -14.569 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.334 -1.772 -16.391 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.780 0.457 -15.346 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.156 0.342 -15.994 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.274 0.187 -18.336 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.755 0.683 -17.542 1.00 0.00 H new ATOM 218 N VAL A 17 -2.066 -1.826 -17.071 1.00 0.00 N ATOM 219 CA VAL A 17 -1.004 -2.120 -18.056 1.00 0.00 C ATOM 220 C VAL A 17 -0.467 -3.569 -17.919 1.00 0.00 C ATOM 221 O VAL A 17 -0.964 -4.352 -17.099 1.00 0.00 O ATOM 222 CB VAL A 17 0.171 -1.074 -17.897 1.00 0.00 C ATOM 223 CG1 VAL A 17 -0.299 0.363 -18.267 1.00 0.00 C ATOM 224 CG2 VAL A 17 0.761 -1.123 -16.458 1.00 0.00 C ATOM 0 H VAL A 17 -1.709 -1.391 -16.220 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.436 -2.034 -19.053 1.00 0.00 H new ATOM 0 HB VAL A 17 0.963 -1.348 -18.594 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.531 1.059 -18.148 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.640 0.379 -19.302 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.118 0.658 -17.611 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.568 -0.395 -16.371 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.021 -0.886 -15.736 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.150 -2.122 -16.258 1.00 0.00 H new ATOM 234 N ASP A 18 0.541 -3.928 -18.746 1.00 0.00 N ATOM 235 CA ASP A 18 1.203 -5.251 -18.681 1.00 0.00 C ATOM 236 C ASP A 18 2.518 -5.153 -17.881 1.00 0.00 C ATOM 237 O ASP A 18 3.243 -4.154 -17.978 1.00 0.00 O ATOM 238 CB ASP A 18 1.449 -5.810 -20.109 1.00 0.00 C ATOM 239 CG ASP A 18 2.144 -7.192 -20.113 1.00 0.00 C ATOM 240 OD1 ASP A 18 1.597 -8.143 -19.519 1.00 0.00 O ATOM 241 OD2 ASP A 18 3.237 -7.334 -20.703 1.00 0.00 O ATOM 0 H ASP A 18 0.916 -3.316 -19.471 1.00 0.00 H new ATOM 0 HA ASP A 18 0.545 -5.948 -18.162 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.495 -5.889 -20.630 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.060 -5.102 -20.669 1.00 0.00 H new ATOM 246 N TRP A 19 2.789 -6.190 -17.072 1.00 0.00 N ATOM 247 CA TRP A 19 3.955 -6.264 -16.170 1.00 0.00 C ATOM 248 C TRP A 19 5.019 -7.241 -16.726 1.00 0.00 C ATOM 249 O TRP A 19 4.861 -7.809 -17.812 1.00 0.00 O ATOM 250 CB TRP A 19 3.495 -6.699 -14.736 1.00 0.00 C ATOM 251 CG TRP A 19 2.661 -5.680 -13.972 1.00 0.00 C ATOM 252 CD1 TRP A 19 1.931 -4.640 -14.476 1.00 0.00 C ATOM 253 CD2 TRP A 19 2.463 -5.638 -12.556 1.00 0.00 C ATOM 254 NE1 TRP A 19 1.326 -3.949 -13.461 1.00 0.00 N ATOM 255 CE2 TRP A 19 1.628 -4.547 -12.275 1.00 0.00 C ATOM 256 CE3 TRP A 19 2.924 -6.415 -11.503 1.00 0.00 C ATOM 257 CZ2 TRP A 19 1.235 -4.215 -10.982 1.00 0.00 C ATOM 258 CZ3 TRP A 19 2.541 -6.089 -10.216 1.00 0.00 C ATOM 259 CH2 TRP A 19 1.701 -4.998 -9.964 1.00 0.00 C ATOM 0 H TRP A 19 2.194 -7.017 -17.024 1.00 0.00 H new ATOM 0 HA TRP A 19 4.411 -5.276 -16.106 1.00 0.00 H new ATOM 0 HB2 TRP A 19 2.919 -7.620 -14.823 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.381 -6.932 -14.145 1.00 0.00 H new ATOM 0 HD1 TRP A 19 1.844 -4.398 -15.525 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.743 -3.120 -13.574 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.571 -7.260 -11.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.587 -3.372 -10.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.896 -6.687 -9.390 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.416 -4.771 -8.947 1.00 0.00 H new ATOM 270 N VAL A 20 6.100 -7.403 -15.944 1.00 0.00 N ATOM 271 CA VAL A 20 7.245 -8.281 -16.249 1.00 0.00 C ATOM 272 C VAL A 20 7.965 -8.616 -14.921 1.00 0.00 C ATOM 273 O VAL A 20 8.143 -7.735 -14.066 1.00 0.00 O ATOM 274 CB VAL A 20 8.251 -7.606 -17.273 1.00 0.00 C ATOM 275 CG1 VAL A 20 8.781 -6.241 -16.755 1.00 0.00 C ATOM 276 CG2 VAL A 20 9.421 -8.562 -17.641 1.00 0.00 C ATOM 0 H VAL A 20 6.205 -6.913 -15.056 1.00 0.00 H new ATOM 0 HA VAL A 20 6.879 -9.191 -16.724 1.00 0.00 H new ATOM 0 HB VAL A 20 7.687 -7.408 -18.184 1.00 0.00 H new ATOM 0 HG11 VAL A 20 9.466 -5.815 -17.488 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.944 -5.560 -16.602 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.305 -6.389 -15.811 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.089 -8.065 -18.344 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.974 -8.825 -16.739 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.021 -9.467 -18.098 1.00 0.00 H new ATOM 286 N GLN A 21 8.346 -9.886 -14.733 1.00 0.00 N ATOM 287 CA GLN A 21 9.071 -10.333 -13.531 1.00 0.00 C ATOM 288 C GLN A 21 10.578 -10.347 -13.819 1.00 0.00 C ATOM 289 O GLN A 21 11.050 -11.143 -14.644 1.00 0.00 O ATOM 290 CB GLN A 21 8.584 -11.742 -13.082 1.00 0.00 C ATOM 291 CG GLN A 21 9.225 -12.246 -11.763 1.00 0.00 C ATOM 292 CD GLN A 21 8.643 -13.570 -11.232 1.00 0.00 C ATOM 293 OE1 GLN A 21 8.203 -14.423 -11.998 1.00 0.00 O ATOM 294 NE2 GLN A 21 8.630 -13.747 -9.913 1.00 0.00 N ATOM 0 H GLN A 21 8.163 -10.631 -15.405 1.00 0.00 H new ATOM 0 HA GLN A 21 8.869 -9.637 -12.716 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.501 -11.718 -12.960 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.800 -12.458 -13.875 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.296 -12.372 -11.920 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.103 -11.478 -10.999 1.00 0.00 H new ATOM 0 HE21 GLN A 21 9.001 -13.023 -9.298 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.249 -14.606 -9.517 1.00 0.00 H new ATOM 303 N CYS A 22 11.322 -9.447 -13.157 1.00 0.00 N ATOM 304 CA CYS A 22 12.793 -9.451 -13.199 1.00 0.00 C ATOM 305 C CYS A 22 13.315 -10.541 -12.275 1.00 0.00 C ATOM 306 O CYS A 22 13.489 -10.290 -11.074 1.00 0.00 O ATOM 307 CB CYS A 22 13.397 -8.100 -12.759 1.00 0.00 C ATOM 308 SG CYS A 22 15.220 -8.157 -12.621 1.00 0.00 S ATOM 0 H CYS A 22 10.926 -8.703 -12.583 1.00 0.00 H new ATOM 0 HA CYS A 22 13.090 -9.632 -14.232 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.114 -7.329 -13.476 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.972 -7.812 -11.797 1.00 0.00 H new ATOM 313 N ASP A 23 13.513 -11.751 -12.825 1.00 0.00 N ATOM 314 CA ASP A 23 14.062 -12.888 -12.071 1.00 0.00 C ATOM 315 C ASP A 23 15.444 -12.510 -11.481 1.00 0.00 C ATOM 316 O ASP A 23 15.493 -12.083 -10.332 1.00 0.00 O ATOM 317 CB ASP A 23 14.143 -14.163 -12.958 1.00 0.00 C ATOM 318 CG ASP A 23 14.682 -15.396 -12.198 1.00 0.00 C ATOM 319 OD1 ASP A 23 13.882 -16.111 -11.550 1.00 0.00 O ATOM 320 OD2 ASP A 23 15.903 -15.663 -12.252 1.00 0.00 O ATOM 0 H ASP A 23 13.298 -11.967 -13.799 1.00 0.00 H new ATOM 0 HA ASP A 23 13.390 -13.120 -11.245 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.151 -14.390 -13.350 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.786 -13.962 -13.815 1.00 0.00 H new ATOM 325 N GLY A 24 16.517 -12.571 -12.310 1.00 0.00 N ATOM 326 CA GLY A 24 17.903 -12.215 -11.916 1.00 0.00 C ATOM 327 C GLY A 24 18.351 -12.739 -10.540 1.00 0.00 C ATOM 328 O GLY A 24 18.979 -13.801 -10.433 1.00 0.00 O ATOM 0 H GLY A 24 16.442 -12.872 -13.282 1.00 0.00 H new ATOM 0 HA2 GLY A 24 18.588 -12.598 -12.673 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.997 -11.129 -11.921 1.00 0.00 H new ATOM 332 N SER A 25 17.990 -11.973 -9.494 1.00 0.00 N ATOM 333 CA SER A 25 18.298 -12.267 -8.089 1.00 0.00 C ATOM 334 C SER A 25 17.328 -11.487 -7.150 1.00 0.00 C ATOM 335 O SER A 25 17.665 -11.216 -6.000 1.00 0.00 O ATOM 336 CB SER A 25 19.779 -11.910 -7.787 1.00 0.00 C ATOM 337 OG SER A 25 20.072 -10.550 -8.085 1.00 0.00 O ATOM 0 H SER A 25 17.461 -11.109 -9.610 1.00 0.00 H new ATOM 0 HA SER A 25 18.159 -13.332 -7.905 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.991 -12.104 -6.736 1.00 0.00 H new ATOM 0 HB3 SER A 25 20.434 -12.558 -8.370 1.00 0.00 H new ATOM 0 HG SER A 25 19.368 -10.182 -8.658 1.00 0.00 H new ATOM 343 N CYS A 26 16.104 -11.167 -7.641 1.00 0.00 N ATOM 344 CA CYS A 26 15.101 -10.368 -6.882 1.00 0.00 C ATOM 345 C CYS A 26 13.662 -10.874 -7.143 1.00 0.00 C ATOM 346 O CYS A 26 12.839 -10.905 -6.222 1.00 0.00 O ATOM 347 CB CYS A 26 15.205 -8.859 -7.223 1.00 0.00 C ATOM 348 SG CYS A 26 14.540 -8.374 -8.857 1.00 0.00 S ATOM 0 H CYS A 26 15.784 -11.452 -8.567 1.00 0.00 H new ATOM 0 HA CYS A 26 15.325 -10.498 -5.823 1.00 0.00 H new ATOM 0 HB2 CYS A 26 14.679 -8.293 -6.454 1.00 0.00 H new ATOM 0 HB3 CYS A 26 16.253 -8.565 -7.175 1.00 0.00 H new ATOM 353 N ASN A 27 13.356 -11.210 -8.421 1.00 0.00 N ATOM 354 CA ASN A 27 12.050 -11.799 -8.840 1.00 0.00 C ATOM 355 C ASN A 27 10.878 -10.816 -8.637 1.00 0.00 C ATOM 356 O ASN A 27 9.711 -11.221 -8.619 1.00 0.00 O ATOM 357 CB ASN A 27 11.778 -13.166 -8.139 1.00 0.00 C ATOM 358 CG ASN A 27 12.785 -14.265 -8.496 1.00 0.00 C ATOM 359 OD1 ASN A 27 13.960 -13.999 -8.747 1.00 0.00 O ATOM 360 ND2 ASN A 27 12.330 -15.509 -8.523 1.00 0.00 N ATOM 0 H ASN A 27 14.007 -11.081 -9.196 1.00 0.00 H new ATOM 0 HA ASN A 27 12.123 -11.992 -9.910 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.788 -13.016 -7.059 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.777 -13.505 -8.405 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.959 -16.277 -8.756 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.351 -15.699 -8.310 1.00 0.00 H new ATOM 367 N GLN A 28 11.197 -9.516 -8.521 1.00 0.00 N ATOM 368 CA GLN A 28 10.201 -8.460 -8.294 1.00 0.00 C ATOM 369 C GLN A 28 9.494 -8.076 -9.605 1.00 0.00 C ATOM 370 O GLN A 28 10.137 -7.954 -10.662 1.00 0.00 O ATOM 371 CB GLN A 28 10.884 -7.227 -7.649 1.00 0.00 C ATOM 372 CG GLN A 28 11.551 -7.525 -6.291 1.00 0.00 C ATOM 373 CD GLN A 28 10.567 -8.019 -5.222 1.00 0.00 C ATOM 374 OE1 GLN A 28 9.403 -7.615 -5.191 1.00 0.00 O ATOM 375 NE2 GLN A 28 11.019 -8.919 -4.359 1.00 0.00 N ATOM 0 H GLN A 28 12.154 -9.169 -8.582 1.00 0.00 H new ATOM 0 HA GLN A 28 9.440 -8.837 -7.611 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.637 -6.839 -8.336 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.141 -6.441 -7.514 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.328 -8.276 -6.434 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.043 -6.622 -5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.988 -9.233 -4.411 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.398 -9.297 -3.644 1.00 0.00 H new ATOM 384 N TRP A 29 8.167 -7.910 -9.506 1.00 0.00 N ATOM 385 CA TRP A 29 7.299 -7.572 -10.633 1.00 0.00 C ATOM 386 C TRP A 29 7.243 -6.050 -10.830 1.00 0.00 C ATOM 387 O TRP A 29 6.999 -5.286 -9.882 1.00 0.00 O ATOM 388 CB TRP A 29 5.880 -8.141 -10.402 1.00 0.00 C ATOM 389 CG TRP A 29 5.775 -9.638 -10.576 1.00 0.00 C ATOM 390 CD1 TRP A 29 6.204 -10.610 -9.717 1.00 0.00 C ATOM 391 CD2 TRP A 29 5.194 -10.321 -11.695 1.00 0.00 C ATOM 392 NE1 TRP A 29 5.915 -11.848 -10.231 1.00 0.00 N ATOM 393 CE2 TRP A 29 5.302 -11.699 -11.446 1.00 0.00 C ATOM 394 CE3 TRP A 29 4.599 -9.893 -12.888 1.00 0.00 C ATOM 395 CZ2 TRP A 29 4.829 -12.658 -12.337 1.00 0.00 C ATOM 396 CZ3 TRP A 29 4.131 -10.842 -13.775 1.00 0.00 C ATOM 397 CH2 TRP A 29 4.250 -12.213 -13.497 1.00 0.00 C ATOM 0 H TRP A 29 7.663 -8.009 -8.625 1.00 0.00 H new ATOM 0 HA TRP A 29 7.711 -8.020 -11.538 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.556 -7.880 -9.394 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.190 -7.657 -11.094 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.697 -10.430 -8.773 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.124 -12.739 -9.780 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.508 -8.840 -13.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.915 -13.713 -12.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.666 -10.525 -14.697 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.878 -12.932 -14.212 1.00 0.00 H new ATOM 408 N PHE A 30 7.495 -5.634 -12.071 1.00 0.00 N ATOM 409 CA PHE A 30 7.469 -4.229 -12.493 1.00 0.00 C ATOM 410 C PHE A 30 6.595 -4.099 -13.743 1.00 0.00 C ATOM 411 O PHE A 30 6.602 -4.976 -14.596 1.00 0.00 O ATOM 412 CB PHE A 30 8.901 -3.721 -12.812 1.00 0.00 C ATOM 413 CG PHE A 30 9.891 -3.878 -11.666 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.749 -3.130 -10.500 1.00 0.00 C ATOM 415 CD2 PHE A 30 10.958 -4.776 -11.751 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.637 -3.274 -9.457 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.849 -4.916 -10.703 1.00 0.00 C ATOM 418 CZ PHE A 30 11.686 -4.166 -9.557 1.00 0.00 C ATOM 0 H PHE A 30 7.728 -6.276 -12.829 1.00 0.00 H new ATOM 0 HA PHE A 30 7.061 -3.626 -11.682 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.280 -4.260 -13.680 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.847 -2.668 -13.089 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.933 -2.428 -10.412 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.088 -5.367 -12.645 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.512 -2.688 -8.559 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.671 -5.612 -10.782 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.380 -4.277 -8.737 1.00 0.00 H new ATOM 428 N HIS A 31 5.858 -2.991 -13.834 1.00 0.00 N ATOM 429 CA HIS A 31 5.129 -2.599 -15.066 1.00 0.00 C ATOM 430 C HIS A 31 6.184 -2.205 -16.119 1.00 0.00 C ATOM 431 O HIS A 31 7.215 -1.614 -15.757 1.00 0.00 O ATOM 432 CB HIS A 31 4.097 -1.428 -14.789 1.00 0.00 C ATOM 433 CG HIS A 31 3.955 -1.054 -13.334 1.00 0.00 C ATOM 434 ND1 HIS A 31 3.681 -1.976 -12.364 1.00 0.00 N ATOM 435 CD2 HIS A 31 4.378 0.042 -12.697 1.00 0.00 C ATOM 436 CE1 HIS A 31 3.987 -1.420 -11.190 1.00 0.00 C ATOM 437 NE2 HIS A 31 4.445 -0.174 -11.336 1.00 0.00 N ATOM 0 H HIS A 31 5.742 -2.333 -13.063 1.00 0.00 H new ATOM 0 HA HIS A 31 4.530 -3.432 -15.433 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.407 -0.546 -15.350 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.120 -1.722 -15.173 1.00 0.00 H new ATOM 0 HD1 HIS A 31 3.311 -2.915 -12.510 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.633 0.972 -13.183 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.878 -1.917 -10.238 1.00 0.00 H new ATOM 445 N GLN A 32 5.956 -2.568 -17.395 1.00 0.00 N ATOM 446 CA GLN A 32 6.894 -2.256 -18.503 1.00 0.00 C ATOM 447 C GLN A 32 7.224 -0.749 -18.553 1.00 0.00 C ATOM 448 O GLN A 32 8.375 -0.369 -18.753 1.00 0.00 O ATOM 449 CB GLN A 32 6.309 -2.706 -19.864 1.00 0.00 C ATOM 450 CG GLN A 32 6.058 -4.217 -19.997 1.00 0.00 C ATOM 451 CD GLN A 32 5.501 -4.591 -21.371 1.00 0.00 C ATOM 452 OE1 GLN A 32 6.243 -4.875 -22.303 1.00 0.00 O ATOM 453 NE2 GLN A 32 4.192 -4.564 -21.512 1.00 0.00 N ATOM 0 H GLN A 32 5.126 -3.081 -17.691 1.00 0.00 H new ATOM 0 HA GLN A 32 7.815 -2.806 -18.312 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.368 -2.181 -20.029 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.991 -2.395 -20.656 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.990 -4.755 -19.826 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.359 -4.537 -19.224 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.598 -4.324 -20.718 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.772 -4.783 -22.415 1.00 0.00 H new ATOM 462 N VAL A 33 6.197 0.087 -18.329 1.00 0.00 N ATOM 463 CA VAL A 33 6.329 1.554 -18.318 1.00 0.00 C ATOM 464 C VAL A 33 7.222 2.040 -17.147 1.00 0.00 C ATOM 465 O VAL A 33 8.029 2.958 -17.318 1.00 0.00 O ATOM 466 CB VAL A 33 4.914 2.259 -18.272 1.00 0.00 C ATOM 467 CG1 VAL A 33 4.067 1.870 -19.511 1.00 0.00 C ATOM 468 CG2 VAL A 33 4.143 1.959 -16.949 1.00 0.00 C ATOM 0 H VAL A 33 5.247 -0.237 -18.149 1.00 0.00 H new ATOM 0 HA VAL A 33 6.819 1.838 -19.249 1.00 0.00 H new ATOM 0 HB VAL A 33 5.090 3.334 -18.296 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.098 2.366 -19.459 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.585 2.180 -20.418 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.922 0.790 -19.528 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.178 2.466 -16.967 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.987 0.884 -16.855 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.725 2.317 -16.100 1.00 0.00 H new ATOM 478 N CYS A 34 7.084 1.374 -15.979 1.00 0.00 N ATOM 479 CA CYS A 34 7.776 1.755 -14.712 1.00 0.00 C ATOM 480 C CYS A 34 9.303 1.812 -14.883 1.00 0.00 C ATOM 481 O CYS A 34 9.952 2.800 -14.533 1.00 0.00 O ATOM 482 CB CYS A 34 7.434 0.719 -13.621 1.00 0.00 C ATOM 483 SG CYS A 34 7.743 1.222 -11.900 1.00 0.00 S ATOM 0 H CYS A 34 6.488 0.552 -15.881 1.00 0.00 H new ATOM 0 HA CYS A 34 7.432 2.750 -14.429 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.380 0.458 -13.716 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.006 -0.187 -13.820 1.00 0.00 H new ATOM 488 N VAL A 35 9.849 0.731 -15.454 1.00 0.00 N ATOM 489 CA VAL A 35 11.302 0.528 -15.610 1.00 0.00 C ATOM 490 C VAL A 35 11.730 0.650 -17.091 1.00 0.00 C ATOM 491 O VAL A 35 12.899 0.419 -17.424 1.00 0.00 O ATOM 492 CB VAL A 35 11.723 -0.861 -14.989 1.00 0.00 C ATOM 493 CG1 VAL A 35 11.603 -0.837 -13.438 1.00 0.00 C ATOM 494 CG2 VAL A 35 10.895 -2.024 -15.598 1.00 0.00 C ATOM 0 H VAL A 35 9.292 -0.038 -15.826 1.00 0.00 H new ATOM 0 HA VAL A 35 11.825 1.315 -15.066 1.00 0.00 H new ATOM 0 HB VAL A 35 12.769 -1.035 -15.241 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.899 -1.806 -13.035 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.255 -0.062 -13.035 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.571 -0.627 -13.156 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.208 -2.967 -15.150 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.836 -1.861 -15.397 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.058 -2.062 -16.675 1.00 0.00 H new ATOM 504 N GLY A 36 10.764 1.036 -17.960 1.00 0.00 N ATOM 505 CA GLY A 36 11.016 1.327 -19.380 1.00 0.00 C ATOM 506 C GLY A 36 11.598 0.146 -20.164 1.00 0.00 C ATOM 507 O GLY A 36 12.638 0.283 -20.816 1.00 0.00 O ATOM 0 H GLY A 36 9.788 1.153 -17.688 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.082 1.636 -19.848 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.702 2.171 -19.451 1.00 0.00 H new ATOM 511 N VAL A 37 10.927 -1.015 -20.084 1.00 0.00 N ATOM 512 CA VAL A 37 11.372 -2.249 -20.757 1.00 0.00 C ATOM 513 C VAL A 37 11.091 -2.144 -22.262 1.00 0.00 C ATOM 514 O VAL A 37 9.930 -1.969 -22.659 1.00 0.00 O ATOM 515 CB VAL A 37 10.653 -3.536 -20.196 1.00 0.00 C ATOM 516 CG1 VAL A 37 11.322 -4.835 -20.707 1.00 0.00 C ATOM 517 CG2 VAL A 37 10.599 -3.524 -18.667 1.00 0.00 C ATOM 0 H VAL A 37 10.063 -1.126 -19.553 1.00 0.00 H new ATOM 0 HA VAL A 37 12.440 -2.351 -20.566 1.00 0.00 H new ATOM 0 HB VAL A 37 9.630 -3.518 -20.572 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.798 -5.699 -20.298 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.276 -4.864 -21.796 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.364 -4.858 -20.387 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.097 -4.425 -18.314 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.613 -3.493 -18.267 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.049 -2.646 -18.329 1.00 0.00 H new ATOM 527 N SER A 38 12.153 -2.217 -23.081 1.00 0.00 N ATOM 528 CA SER A 38 12.030 -2.235 -24.547 1.00 0.00 C ATOM 529 C SER A 38 11.258 -3.504 -24.988 1.00 0.00 C ATOM 530 O SER A 38 11.521 -4.582 -24.449 1.00 0.00 O ATOM 531 CB SER A 38 13.431 -2.200 -25.185 1.00 0.00 C ATOM 532 OG SER A 38 14.157 -1.063 -24.753 1.00 0.00 O ATOM 0 H SER A 38 13.116 -2.265 -22.747 1.00 0.00 H new ATOM 0 HA SER A 38 11.476 -1.357 -24.880 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.977 -3.106 -24.922 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.340 -2.187 -26.271 1.00 0.00 H new ATOM 0 HG SER A 38 15.044 -1.063 -25.170 1.00 0.00 H new ATOM 538 N PRO A 39 10.274 -3.388 -25.946 1.00 0.00 N ATOM 539 CA PRO A 39 9.405 -4.524 -26.372 1.00 0.00 C ATOM 540 C PRO A 39 10.177 -5.764 -26.893 1.00 0.00 C ATOM 541 O PRO A 39 9.596 -6.847 -26.982 1.00 0.00 O ATOM 542 CB PRO A 39 8.488 -3.911 -27.476 1.00 0.00 C ATOM 543 CG PRO A 39 9.172 -2.643 -27.887 1.00 0.00 C ATOM 544 CD PRO A 39 9.886 -2.138 -26.656 1.00 0.00 C ATOM 0 HA PRO A 39 8.852 -4.922 -25.521 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.378 -4.592 -28.320 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.487 -3.713 -27.093 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.876 -2.825 -28.699 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.451 -1.910 -28.248 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.757 -1.536 -26.915 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.237 -1.512 -26.043 1.00 0.00 H new ATOM 552 N GLU A 40 11.481 -5.609 -27.216 1.00 0.00 N ATOM 553 CA GLU A 40 12.352 -6.744 -27.591 1.00 0.00 C ATOM 554 C GLU A 40 12.654 -7.585 -26.336 1.00 0.00 C ATOM 555 O GLU A 40 12.441 -8.795 -26.317 1.00 0.00 O ATOM 556 CB GLU A 40 13.695 -6.273 -28.234 1.00 0.00 C ATOM 557 CG GLU A 40 13.576 -5.206 -29.354 1.00 0.00 C ATOM 558 CD GLU A 40 13.633 -3.761 -28.824 1.00 0.00 C ATOM 559 OE1 GLU A 40 14.752 -3.235 -28.628 1.00 0.00 O ATOM 560 OE2 GLU A 40 12.571 -3.140 -28.599 1.00 0.00 O ATOM 0 H GLU A 40 11.954 -4.705 -27.224 1.00 0.00 H new ATOM 0 HA GLU A 40 11.822 -7.338 -28.336 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.332 -5.873 -27.445 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.204 -7.145 -28.643 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.380 -5.354 -30.075 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.638 -5.353 -29.889 1.00 0.00 H new ATOM 567 N MET A 41 13.129 -6.890 -25.281 1.00 0.00 N ATOM 568 CA MET A 41 13.493 -7.500 -23.979 1.00 0.00 C ATOM 569 C MET A 41 12.236 -8.027 -23.263 1.00 0.00 C ATOM 570 O MET A 41 12.282 -9.049 -22.582 1.00 0.00 O ATOM 571 CB MET A 41 14.240 -6.470 -23.069 1.00 0.00 C ATOM 572 CG MET A 41 15.556 -5.923 -23.655 1.00 0.00 C ATOM 573 SD MET A 41 15.306 -5.007 -25.196 1.00 0.00 S ATOM 574 CE MET A 41 16.960 -4.420 -25.559 1.00 0.00 C ATOM 0 H MET A 41 13.273 -5.881 -25.306 1.00 0.00 H new ATOM 0 HA MET A 41 14.165 -8.336 -24.173 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.572 -5.632 -22.869 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.455 -6.942 -22.110 1.00 0.00 H new ATOM 0 HG2 MET A 41 16.032 -5.271 -22.923 1.00 0.00 H new ATOM 0 HG3 MET A 41 16.240 -6.752 -23.836 1.00 0.00 H new ATOM 0 HE1 MET A 41 16.946 -3.841 -26.483 1.00 0.00 H new ATOM 0 HE2 MET A 41 17.310 -3.790 -24.741 1.00 0.00 H new ATOM 0 HE3 MET A 41 17.631 -5.271 -25.674 1.00 0.00 H new ATOM 584 N ALA A 42 11.112 -7.319 -23.468 1.00 0.00 N ATOM 585 CA ALA A 42 9.800 -7.656 -22.879 1.00 0.00 C ATOM 586 C ALA A 42 9.206 -8.914 -23.546 1.00 0.00 C ATOM 587 O ALA A 42 8.570 -9.739 -22.881 1.00 0.00 O ATOM 588 CB ALA A 42 8.849 -6.459 -23.030 1.00 0.00 C ATOM 0 H ALA A 42 11.087 -6.485 -24.055 1.00 0.00 H new ATOM 0 HA ALA A 42 9.932 -7.875 -21.819 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.880 -6.707 -22.596 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.267 -5.595 -22.515 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.723 -6.225 -24.087 1.00 0.00 H new ATOM 594 N GLU A 43 9.441 -9.042 -24.872 1.00 0.00 N ATOM 595 CA GLU A 43 9.056 -10.239 -25.660 1.00 0.00 C ATOM 596 C GLU A 43 9.871 -11.446 -25.156 1.00 0.00 C ATOM 597 O GLU A 43 9.328 -12.530 -24.909 1.00 0.00 O ATOM 598 CB GLU A 43 9.289 -9.966 -27.185 1.00 0.00 C ATOM 599 CG GLU A 43 8.654 -10.974 -28.183 1.00 0.00 C ATOM 600 CD GLU A 43 9.362 -12.343 -28.267 1.00 0.00 C ATOM 601 OE1 GLU A 43 10.519 -12.393 -28.734 1.00 0.00 O ATOM 602 OE2 GLU A 43 8.760 -13.373 -27.875 1.00 0.00 O ATOM 0 H GLU A 43 9.902 -8.321 -25.426 1.00 0.00 H new ATOM 0 HA GLU A 43 7.997 -10.462 -25.530 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.904 -8.972 -27.415 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.364 -9.941 -27.365 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.614 -11.137 -27.900 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.647 -10.524 -29.176 1.00 0.00 H new ATOM 609 N LYS A 44 11.180 -11.214 -24.968 1.00 0.00 N ATOM 610 CA LYS A 44 12.117 -12.218 -24.425 1.00 0.00 C ATOM 611 C LYS A 44 11.870 -12.486 -22.926 1.00 0.00 C ATOM 612 O LYS A 44 12.407 -13.458 -22.378 1.00 0.00 O ATOM 613 CB LYS A 44 13.575 -11.746 -24.623 1.00 0.00 C ATOM 614 CG LYS A 44 14.024 -11.671 -26.099 1.00 0.00 C ATOM 615 CD LYS A 44 15.481 -11.194 -26.258 1.00 0.00 C ATOM 616 CE LYS A 44 16.491 -12.129 -25.568 1.00 0.00 C ATOM 617 NZ LYS A 44 17.881 -11.626 -25.688 1.00 0.00 N ATOM 0 H LYS A 44 11.623 -10.322 -25.188 1.00 0.00 H new ATOM 0 HA LYS A 44 11.947 -13.147 -24.970 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.690 -10.761 -24.170 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.240 -12.423 -24.087 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.917 -12.654 -26.557 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.364 -10.994 -26.641 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.722 -11.124 -27.319 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.578 -10.191 -25.842 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.231 -12.230 -24.514 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.425 -13.124 -26.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.530 -12.283 -25.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.138 -11.554 -26.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.950 -10.688 -25.244 1.00 0.00 H new ATOM 631 N GLU A 45 11.101 -11.574 -22.270 1.00 0.00 N ATOM 632 CA GLU A 45 10.779 -11.618 -20.814 1.00 0.00 C ATOM 633 C GLU A 45 12.053 -11.423 -19.959 1.00 0.00 C ATOM 634 O GLU A 45 12.053 -11.614 -18.738 1.00 0.00 O ATOM 635 CB GLU A 45 10.062 -12.946 -20.456 1.00 0.00 C ATOM 636 CG GLU A 45 8.847 -13.272 -21.346 1.00 0.00 C ATOM 637 CD GLU A 45 8.282 -14.676 -21.084 1.00 0.00 C ATOM 638 OE1 GLU A 45 8.926 -15.672 -21.491 1.00 0.00 O ATOM 639 OE2 GLU A 45 7.205 -14.798 -20.466 1.00 0.00 O ATOM 0 H GLU A 45 10.681 -10.775 -22.744 1.00 0.00 H new ATOM 0 HA GLU A 45 10.101 -10.795 -20.588 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.780 -13.763 -20.528 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.735 -12.900 -19.417 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.066 -12.532 -21.173 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.137 -13.191 -22.394 1.00 0.00 H new ATOM 646 N ASP A 46 13.116 -10.992 -20.640 1.00 0.00 N ATOM 647 CA ASP A 46 14.471 -10.922 -20.118 1.00 0.00 C ATOM 648 C ASP A 46 14.798 -9.467 -19.753 1.00 0.00 C ATOM 649 O ASP A 46 15.216 -8.673 -20.608 1.00 0.00 O ATOM 650 CB ASP A 46 15.450 -11.477 -21.188 1.00 0.00 C ATOM 651 CG ASP A 46 16.895 -11.599 -20.679 1.00 0.00 C ATOM 652 OD1 ASP A 46 17.160 -12.498 -19.851 1.00 0.00 O ATOM 653 OD2 ASP A 46 17.768 -10.817 -21.113 1.00 0.00 O ATOM 0 H ASP A 46 13.048 -10.671 -21.606 1.00 0.00 H new ATOM 0 HA ASP A 46 14.570 -11.526 -19.216 1.00 0.00 H new ATOM 0 HB2 ASP A 46 15.103 -12.457 -21.516 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.433 -10.824 -22.061 1.00 0.00 H new ATOM 658 N TYR A 47 14.531 -9.117 -18.490 1.00 0.00 N ATOM 659 CA TYR A 47 14.854 -7.799 -17.930 1.00 0.00 C ATOM 660 C TYR A 47 15.551 -7.999 -16.578 1.00 0.00 C ATOM 661 O TYR A 47 14.917 -8.395 -15.594 1.00 0.00 O ATOM 662 CB TYR A 47 13.580 -6.914 -17.785 1.00 0.00 C ATOM 663 CG TYR A 47 13.899 -5.466 -17.377 1.00 0.00 C ATOM 664 CD1 TYR A 47 14.280 -4.513 -18.333 1.00 0.00 C ATOM 665 CD2 TYR A 47 13.858 -5.060 -16.039 1.00 0.00 C ATOM 666 CE1 TYR A 47 14.602 -3.218 -17.963 1.00 0.00 C ATOM 667 CE2 TYR A 47 14.176 -3.767 -15.672 1.00 0.00 C ATOM 668 CZ TYR A 47 14.549 -2.853 -16.635 1.00 0.00 C ATOM 669 OH TYR A 47 14.876 -1.567 -16.266 1.00 0.00 O ATOM 0 H TYR A 47 14.082 -9.744 -17.823 1.00 0.00 H new ATOM 0 HA TYR A 47 15.523 -7.271 -18.610 1.00 0.00 H new ATOM 0 HB2 TYR A 47 13.038 -6.908 -18.731 1.00 0.00 H new ATOM 0 HB3 TYR A 47 12.918 -7.358 -17.041 1.00 0.00 H new ATOM 0 HD1 TYR A 47 14.323 -4.794 -19.375 1.00 0.00 H new ATOM 0 HD2 TYR A 47 13.572 -5.771 -15.278 1.00 0.00 H new ATOM 0 HE1 TYR A 47 14.894 -2.497 -18.712 1.00 0.00 H new ATOM 0 HE2 TYR A 47 14.133 -3.473 -14.634 1.00 0.00 H new ATOM 0 HH TYR A 47 14.286 -0.934 -16.727 1.00 0.00 H new ATOM 679 N ILE A 48 16.865 -7.759 -16.562 1.00 0.00 N ATOM 680 CA ILE A 48 17.702 -7.850 -15.363 1.00 0.00 C ATOM 681 C ILE A 48 17.930 -6.414 -14.840 1.00 0.00 C ATOM 682 O ILE A 48 18.557 -5.594 -15.518 1.00 0.00 O ATOM 683 CB ILE A 48 19.084 -8.589 -15.669 1.00 0.00 C ATOM 684 CG1 ILE A 48 18.880 -10.104 -16.067 1.00 0.00 C ATOM 685 CG2 ILE A 48 20.062 -8.489 -14.478 1.00 0.00 C ATOM 686 CD1 ILE A 48 18.269 -10.355 -17.438 1.00 0.00 C ATOM 0 H ILE A 48 17.386 -7.491 -17.397 1.00 0.00 H new ATOM 0 HA ILE A 48 17.202 -8.449 -14.602 1.00 0.00 H new ATOM 0 HB ILE A 48 19.518 -8.070 -16.524 1.00 0.00 H new ATOM 0 HG12 ILE A 48 19.848 -10.604 -16.025 1.00 0.00 H new ATOM 0 HG13 ILE A 48 18.245 -10.574 -15.316 1.00 0.00 H new ATOM 0 HG21 ILE A 48 20.990 -9.004 -14.725 1.00 0.00 H new ATOM 0 HG22 ILE A 48 20.273 -7.441 -14.268 1.00 0.00 H new ATOM 0 HG23 ILE A 48 19.613 -8.952 -13.599 1.00 0.00 H new ATOM 0 HD11 ILE A 48 18.176 -11.428 -17.604 1.00 0.00 H new ATOM 0 HD12 ILE A 48 17.283 -9.893 -17.487 1.00 0.00 H new ATOM 0 HD13 ILE A 48 18.910 -9.923 -18.207 1.00 0.00 H new ATOM 698 N CYS A 49 17.368 -6.109 -13.642 1.00 0.00 N ATOM 699 CA CYS A 49 17.468 -4.764 -13.024 1.00 0.00 C ATOM 700 C CYS A 49 18.884 -4.534 -12.459 1.00 0.00 C ATOM 701 O CYS A 49 19.644 -5.501 -12.276 1.00 0.00 O ATOM 702 CB CYS A 49 16.399 -4.557 -11.905 1.00 0.00 C ATOM 703 SG CYS A 49 16.681 -5.512 -10.368 1.00 0.00 S ATOM 0 H CYS A 49 16.840 -6.780 -13.084 1.00 0.00 H new ATOM 0 HA CYS A 49 17.273 -4.031 -13.806 1.00 0.00 H new ATOM 0 HB2 CYS A 49 16.361 -3.497 -11.653 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.421 -4.825 -12.305 1.00 0.00 H new ATOM 708 N VAL A 50 19.211 -3.249 -12.174 1.00 0.00 N ATOM 709 CA VAL A 50 20.562 -2.799 -11.739 1.00 0.00 C ATOM 710 C VAL A 50 21.112 -3.636 -10.564 1.00 0.00 C ATOM 711 O VAL A 50 22.247 -4.100 -10.624 1.00 0.00 O ATOM 712 CB VAL A 50 20.553 -1.270 -11.345 1.00 0.00 C ATOM 713 CG1 VAL A 50 21.945 -0.786 -10.849 1.00 0.00 C ATOM 714 CG2 VAL A 50 20.048 -0.399 -12.525 1.00 0.00 C ATOM 0 H VAL A 50 18.538 -2.485 -12.240 1.00 0.00 H new ATOM 0 HA VAL A 50 21.224 -2.946 -12.593 1.00 0.00 H new ATOM 0 HB VAL A 50 19.860 -1.155 -10.512 1.00 0.00 H new ATOM 0 HG11 VAL A 50 21.891 0.271 -10.589 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.238 -1.361 -9.971 1.00 0.00 H new ATOM 0 HG13 VAL A 50 22.682 -0.928 -11.639 1.00 0.00 H new ATOM 0 HG21 VAL A 50 20.051 0.650 -12.230 1.00 0.00 H new ATOM 0 HG22 VAL A 50 20.704 -0.536 -13.385 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.034 -0.699 -12.791 1.00 0.00 H new ATOM 724 N ARG A 51 20.274 -3.846 -9.523 1.00 0.00 N ATOM 725 CA ARG A 51 20.642 -4.668 -8.336 1.00 0.00 C ATOM 726 C ARG A 51 21.123 -6.080 -8.745 1.00 0.00 C ATOM 727 O ARG A 51 22.134 -6.559 -8.243 1.00 0.00 O ATOM 728 CB ARG A 51 19.455 -4.804 -7.338 1.00 0.00 C ATOM 729 CG ARG A 51 19.052 -3.505 -6.598 1.00 0.00 C ATOM 730 CD ARG A 51 17.949 -3.768 -5.549 1.00 0.00 C ATOM 731 NE ARG A 51 17.597 -2.573 -4.766 1.00 0.00 N ATOM 732 CZ ARG A 51 16.817 -2.581 -3.672 1.00 0.00 C ATOM 733 NH1 ARG A 51 16.325 -3.720 -3.181 1.00 0.00 N ATOM 734 NH2 ARG A 51 16.546 -1.441 -3.071 1.00 0.00 N ATOM 0 H ARG A 51 19.332 -3.457 -9.477 1.00 0.00 H new ATOM 0 HA ARG A 51 21.460 -4.142 -7.844 1.00 0.00 H new ATOM 0 HB2 ARG A 51 18.587 -5.175 -7.882 1.00 0.00 H new ATOM 0 HB3 ARG A 51 19.713 -5.559 -6.595 1.00 0.00 H new ATOM 0 HG2 ARG A 51 19.927 -3.078 -6.108 1.00 0.00 H new ATOM 0 HG3 ARG A 51 18.700 -2.768 -7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 51 17.057 -4.139 -6.054 1.00 0.00 H new ATOM 0 HD3 ARG A 51 18.282 -4.554 -4.871 1.00 0.00 H new ATOM 0 HE ARG A 51 17.971 -1.676 -5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.539 -4.607 -3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.735 -3.704 -2.349 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.927 -0.568 -3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.955 -1.431 -2.239 1.00 0.00 H new ATOM 748 N CYS A 52 20.397 -6.708 -9.687 1.00 0.00 N ATOM 749 CA CYS A 52 20.706 -8.073 -10.167 1.00 0.00 C ATOM 750 C CYS A 52 22.037 -8.118 -10.956 1.00 0.00 C ATOM 751 O CYS A 52 22.778 -9.098 -10.860 1.00 0.00 O ATOM 752 CB CYS A 52 19.549 -8.626 -11.036 1.00 0.00 C ATOM 753 SG CYS A 52 18.040 -9.069 -10.133 1.00 0.00 S ATOM 0 H CYS A 52 19.583 -6.289 -10.137 1.00 0.00 H new ATOM 0 HA CYS A 52 20.819 -8.706 -9.287 1.00 0.00 H new ATOM 0 HB2 CYS A 52 19.295 -7.881 -11.790 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.906 -9.508 -11.567 1.00 0.00 H new ATOM 758 N THR A 53 22.321 -7.044 -11.727 1.00 0.00 N ATOM 759 CA THR A 53 23.534 -6.951 -12.573 1.00 0.00 C ATOM 760 C THR A 53 24.793 -6.691 -11.704 1.00 0.00 C ATOM 761 O THR A 53 25.836 -7.327 -11.882 1.00 0.00 O ATOM 762 CB THR A 53 23.378 -5.805 -13.638 1.00 0.00 C ATOM 763 OG1 THR A 53 22.107 -5.925 -14.308 1.00 0.00 O ATOM 764 CG2 THR A 53 24.513 -5.819 -14.686 1.00 0.00 C ATOM 0 H THR A 53 21.720 -6.222 -11.781 1.00 0.00 H new ATOM 0 HA THR A 53 23.656 -7.903 -13.091 1.00 0.00 H new ATOM 0 HB THR A 53 23.433 -4.858 -13.101 1.00 0.00 H new ATOM 0 HG1 THR A 53 22.016 -5.207 -14.969 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.360 -5.009 -15.399 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.472 -5.686 -14.185 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.509 -6.773 -15.214 1.00 0.00 H new ATOM 772 N VAL A 54 24.655 -5.765 -10.740 1.00 0.00 N ATOM 773 CA VAL A 54 25.751 -5.327 -9.840 1.00 0.00 C ATOM 774 C VAL A 54 25.998 -6.367 -8.711 1.00 0.00 C ATOM 775 O VAL A 54 27.052 -6.371 -8.062 1.00 0.00 O ATOM 776 CB VAL A 54 25.424 -3.892 -9.251 1.00 0.00 C ATOM 777 CG1 VAL A 54 26.512 -3.388 -8.264 1.00 0.00 C ATOM 778 CG2 VAL A 54 25.203 -2.868 -10.400 1.00 0.00 C ATOM 0 H VAL A 54 23.771 -5.290 -10.557 1.00 0.00 H new ATOM 0 HA VAL A 54 26.673 -5.258 -10.417 1.00 0.00 H new ATOM 0 HB VAL A 54 24.502 -3.986 -8.678 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.237 -2.401 -7.892 1.00 0.00 H new ATOM 0 HG12 VAL A 54 26.594 -4.082 -7.427 1.00 0.00 H new ATOM 0 HG13 VAL A 54 27.471 -3.327 -8.779 1.00 0.00 H new ATOM 0 HG21 VAL A 54 24.980 -1.889 -9.977 1.00 0.00 H new ATOM 0 HG22 VAL A 54 26.105 -2.803 -11.008 1.00 0.00 H new ATOM 0 HG23 VAL A 54 24.369 -3.193 -11.022 1.00 0.00 H new ATOM 788 N LYS A 55 25.031 -7.279 -8.503 1.00 0.00 N ATOM 789 CA LYS A 55 25.149 -8.375 -7.511 1.00 0.00 C ATOM 790 C LYS A 55 25.114 -9.740 -8.236 1.00 0.00 C ATOM 791 O LYS A 55 24.759 -10.776 -7.662 1.00 0.00 O ATOM 792 CB LYS A 55 24.018 -8.216 -6.452 1.00 0.00 C ATOM 793 CG LYS A 55 24.212 -9.013 -5.140 1.00 0.00 C ATOM 794 CD LYS A 55 23.262 -8.544 -4.009 1.00 0.00 C ATOM 795 CE LYS A 55 23.503 -7.073 -3.630 1.00 0.00 C ATOM 796 NZ LYS A 55 22.697 -6.650 -2.461 1.00 0.00 N ATOM 0 H LYS A 55 24.148 -7.282 -9.013 1.00 0.00 H new ATOM 0 HA LYS A 55 26.102 -8.327 -6.984 1.00 0.00 H new ATOM 0 HB2 LYS A 55 23.924 -7.159 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 55 23.075 -8.522 -6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 55 24.043 -10.072 -5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 55 25.245 -8.911 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 55 22.227 -8.672 -4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 55 23.405 -9.173 -3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 55 24.561 -6.926 -3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 55 23.263 -6.437 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 22.895 -5.652 -2.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 21.686 -6.764 -2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 22.943 -7.237 -1.639 1.00 0.00 H new ATOM 810 N ASP A 56 25.515 -9.721 -9.517 1.00 0.00 N ATOM 811 CA ASP A 56 25.682 -10.938 -10.333 1.00 0.00 C ATOM 812 C ASP A 56 27.020 -11.633 -10.004 1.00 0.00 C ATOM 813 O ASP A 56 27.127 -12.865 -10.124 1.00 0.00 O ATOM 814 CB ASP A 56 25.607 -10.577 -11.840 1.00 0.00 C ATOM 815 CG ASP A 56 25.759 -11.793 -12.778 1.00 0.00 C ATOM 816 OD1 ASP A 56 24.857 -12.655 -12.794 1.00 0.00 O ATOM 817 OD2 ASP A 56 26.776 -11.888 -13.505 1.00 0.00 O ATOM 0 H ASP A 56 25.733 -8.860 -10.019 1.00 0.00 H new ATOM 0 HA ASP A 56 24.875 -11.633 -10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 56 24.652 -10.092 -12.041 1.00 0.00 H new ATOM 0 HB3 ASP A 56 26.388 -9.852 -12.070 1.00 0.00 H new ATOM 822 N ALA A 57 28.014 -10.820 -9.570 1.00 0.00 N ATOM 823 CA ALA A 57 29.379 -11.275 -9.244 1.00 0.00 C ATOM 824 C ALA A 57 30.049 -11.906 -10.489 1.00 0.00 C ATOM 825 O ALA A 57 29.974 -13.129 -10.684 1.00 0.00 O ATOM 826 CB ALA A 57 29.398 -12.227 -8.023 1.00 0.00 C ATOM 0 H ALA A 57 27.884 -9.817 -9.436 1.00 0.00 H new ATOM 0 HA ALA A 57 29.966 -10.403 -8.955 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.423 -12.537 -7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 57 28.995 -11.710 -7.152 1.00 0.00 H new ATOM 0 HB3 ALA A 57 28.789 -13.105 -8.237 1.00 0.00 H new ATOM 832 N PRO A 58 30.691 -11.072 -11.372 1.00 0.00 N ATOM 833 CA PRO A 58 31.265 -11.548 -12.646 1.00 0.00 C ATOM 834 C PRO A 58 32.595 -12.293 -12.442 1.00 0.00 C ATOM 835 O PRO A 58 33.071 -12.453 -11.313 1.00 0.00 O ATOM 836 CB PRO A 58 31.436 -10.236 -13.455 1.00 0.00 C ATOM 837 CG PRO A 58 31.725 -9.202 -12.417 1.00 0.00 C ATOM 838 CD PRO A 58 30.932 -9.614 -11.187 1.00 0.00 C ATOM 0 HA PRO A 58 30.637 -12.280 -13.154 1.00 0.00 H new ATOM 0 HB2 PRO A 58 32.250 -10.315 -14.176 1.00 0.00 H new ATOM 0 HB3 PRO A 58 30.534 -9.995 -14.018 1.00 0.00 H new ATOM 0 HG2 PRO A 58 32.792 -9.157 -12.197 1.00 0.00 H new ATOM 0 HG3 PRO A 58 31.428 -8.211 -12.760 1.00 0.00 H new ATOM 0 HD2 PRO A 58 31.489 -9.417 -10.271 1.00 0.00 H new ATOM 0 HD3 PRO A 58 29.995 -9.062 -11.116 1.00 0.00 H new ATOM 846 N SER A 59 33.179 -12.755 -13.554 1.00 0.00 N ATOM 847 CA SER A 59 34.478 -13.446 -13.559 1.00 0.00 C ATOM 848 C SER A 59 35.643 -12.428 -13.505 1.00 0.00 C ATOM 849 O SER A 59 36.809 -12.822 -13.388 1.00 0.00 O ATOM 850 CB SER A 59 34.584 -14.348 -14.820 1.00 0.00 C ATOM 851 OG SER A 59 35.728 -15.198 -14.784 1.00 0.00 O ATOM 0 H SER A 59 32.764 -12.661 -14.481 1.00 0.00 H new ATOM 0 HA SER A 59 34.549 -14.074 -12.671 1.00 0.00 H new ATOM 0 HB2 SER A 59 33.684 -14.957 -14.904 1.00 0.00 H new ATOM 0 HB3 SER A 59 34.629 -13.720 -15.710 1.00 0.00 H new ATOM 0 HG SER A 59 36.483 -14.714 -14.388 1.00 0.00 H new ATOM 857 N ARG A 60 35.311 -11.121 -13.590 1.00 0.00 N ATOM 858 CA ARG A 60 36.302 -10.042 -13.549 1.00 0.00 C ATOM 859 C ARG A 60 35.661 -8.787 -12.936 1.00 0.00 C ATOM 860 O ARG A 60 34.699 -8.251 -13.494 1.00 0.00 O ATOM 861 CB ARG A 60 36.825 -9.755 -14.993 1.00 0.00 C ATOM 862 CG ARG A 60 38.087 -8.870 -15.053 1.00 0.00 C ATOM 863 CD ARG A 60 39.307 -9.559 -14.411 1.00 0.00 C ATOM 864 NE ARG A 60 40.523 -8.731 -14.474 1.00 0.00 N ATOM 865 CZ ARG A 60 41.778 -9.187 -14.306 1.00 0.00 C ATOM 866 NH1 ARG A 60 42.019 -10.478 -14.073 1.00 0.00 N ATOM 867 NH2 ARG A 60 42.786 -8.342 -14.370 1.00 0.00 N ATOM 0 H ARG A 60 34.350 -10.793 -13.688 1.00 0.00 H new ATOM 0 HA ARG A 60 37.150 -10.337 -12.931 1.00 0.00 H new ATOM 0 HB2 ARG A 60 37.039 -10.705 -15.483 1.00 0.00 H new ATOM 0 HB3 ARG A 60 36.031 -9.273 -15.564 1.00 0.00 H new ATOM 0 HG2 ARG A 60 38.312 -8.629 -16.092 1.00 0.00 H new ATOM 0 HG3 ARG A 60 37.893 -7.927 -14.542 1.00 0.00 H new ATOM 0 HD2 ARG A 60 39.083 -9.790 -13.370 1.00 0.00 H new ATOM 0 HD3 ARG A 60 39.491 -10.508 -14.916 1.00 0.00 H new ATOM 0 HE ARG A 60 40.405 -7.735 -14.659 1.00 0.00 H new ATOM 0 HH11 ARG A 60 41.245 -11.140 -14.019 1.00 0.00 H new ATOM 0 HH12 ARG A 60 42.978 -10.803 -13.949 1.00 0.00 H new ATOM 0 HH21 ARG A 60 42.612 -7.352 -14.545 1.00 0.00 H new ATOM 0 HH22 ARG A 60 43.741 -8.677 -14.244 1.00 0.00 H new ATOM 881 N LYS A 61 36.182 -8.333 -11.776 1.00 0.00 N ATOM 882 CA LYS A 61 35.660 -7.153 -11.056 1.00 0.00 C ATOM 883 C LYS A 61 36.821 -6.462 -10.275 1.00 0.00 C ATOM 884 O LYS A 61 37.210 -6.927 -9.187 1.00 0.00 O ATOM 885 CB LYS A 61 34.426 -7.520 -10.139 1.00 0.00 C ATOM 886 CG LYS A 61 34.621 -8.667 -9.097 1.00 0.00 C ATOM 887 CD LYS A 61 34.695 -10.083 -9.712 1.00 0.00 C ATOM 888 CE LYS A 61 34.999 -11.176 -8.673 1.00 0.00 C ATOM 889 NZ LYS A 61 35.125 -12.512 -9.313 1.00 0.00 N ATOM 890 OXT LYS A 61 37.387 -5.474 -10.788 1.00 0.00 O ATOM 0 H LYS A 61 36.976 -8.775 -11.313 1.00 0.00 H new ATOM 0 HA LYS A 61 35.274 -6.436 -11.780 1.00 0.00 H new ATOM 0 HB2 LYS A 61 34.129 -6.621 -9.599 1.00 0.00 H new ATOM 0 HB3 LYS A 61 33.593 -7.792 -10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 61 35.536 -8.480 -8.536 1.00 0.00 H new ATOM 0 HG3 LYS A 61 33.798 -8.637 -8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 61 33.748 -10.310 -10.203 1.00 0.00 H new ATOM 0 HD3 LYS A 61 35.465 -10.098 -10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 61 35.923 -10.934 -8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 61 34.205 -11.202 -7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 34.957 -13.254 -8.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 34.425 -12.598 -10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 36.082 -12.620 -9.707 1.00 0.00 H new TER 904 LYS A 61 HETATM 905 ZN ZN A 101 6.177 0.470 -10.301 1.00 0.00 ZN HETATM 906 ZN ZN A 102 16.119 -7.773 -10.486 1.00 0.00 ZN