USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= 0.00172 K(o=0.0017,f=-1.5!) USER MOD Single : A 18 SER OG : rot 180:sc= -0.417 USER MOD Single : A 19 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.063) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0387 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00368 USER MOD Single : A 38 LYS NZ :NH3+ -116:sc= -0.0584 (180deg=-0.19) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 41 MET CE :methyl -125:sc= -2.86 (180deg=-5.94!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= -0.0126 (180deg=-0.178) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.76 F(o=-2.5!,f=-0.76) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= 0.0296 F(o=-0.68,f=0.03) USER MOD Single : A 63 SER OG : rot -102:sc= 0.0182 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -107:sc= -1.19 (180deg=-3.68!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00128 USER MOD Single : A 68 SER OG : rot 180:sc=0.000666 USER MOD Single : A 71 SER OG : rot -17:sc= 0.665 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.404 -9.789 9.920 1.00 0.00 N ATOM 2 CA GLY A 1 8.342 -9.004 8.701 1.00 0.00 C ATOM 3 C GLY A 1 6.919 -8.753 8.245 1.00 0.00 C ATOM 4 O GLY A 1 6.045 -8.444 9.055 1.00 0.00 O ATOM 0 H1 GLY A 1 9.398 -9.933 10.190 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.907 -9.286 10.683 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.951 -10.712 9.762 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.843 -8.049 8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.887 -9.521 7.911 1.00 0.00 H new ATOM 8 N SER A 2 6.685 -8.883 6.943 1.00 0.00 N ATOM 9 CA SER A 2 5.358 -8.663 6.379 1.00 0.00 C ATOM 10 C SER A 2 4.980 -9.791 5.424 1.00 0.00 C ATOM 11 O SER A 2 5.840 -10.535 4.953 1.00 0.00 O ATOM 12 CB SER A 2 5.309 -7.321 5.646 1.00 0.00 C ATOM 13 OG SER A 2 6.310 -7.248 4.647 1.00 0.00 O ATOM 0 H SER A 2 7.397 -9.139 6.259 1.00 0.00 H new ATOM 0 HA SER A 2 4.639 -8.648 7.198 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.327 -7.187 5.192 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.443 -6.508 6.360 1.00 0.00 H new ATOM 0 HG SER A 2 6.256 -6.381 4.192 1.00 0.00 H new ATOM 19 N SER A 3 3.686 -9.910 5.142 1.00 0.00 N ATOM 20 CA SER A 3 3.192 -10.949 4.246 1.00 0.00 C ATOM 21 C SER A 3 2.218 -10.368 3.225 1.00 0.00 C ATOM 22 O SER A 3 2.284 -10.685 2.038 1.00 0.00 O ATOM 23 CB SER A 3 2.508 -12.059 5.046 1.00 0.00 C ATOM 24 OG SER A 3 2.293 -13.208 4.245 1.00 0.00 O ATOM 0 H SER A 3 2.962 -9.300 5.521 1.00 0.00 H new ATOM 0 HA SER A 3 4.044 -11.369 3.711 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.122 -12.322 5.907 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.555 -11.698 5.433 1.00 0.00 H new ATOM 0 HG SER A 3 1.856 -13.903 4.780 1.00 0.00 H new ATOM 30 N GLY A 4 1.315 -9.515 3.698 1.00 0.00 N ATOM 31 CA GLY A 4 0.340 -8.902 2.814 1.00 0.00 C ATOM 32 C GLY A 4 -0.710 -9.887 2.339 1.00 0.00 C ATOM 33 O GLY A 4 -0.814 -10.996 2.862 1.00 0.00 O ATOM 0 H GLY A 4 1.241 -9.237 4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.148 -8.077 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.853 -8.477 1.951 1.00 0.00 H new ATOM 37 N SER A 5 -1.493 -9.480 1.344 1.00 0.00 N ATOM 38 CA SER A 5 -2.545 -10.332 0.802 1.00 0.00 C ATOM 39 C SER A 5 -2.622 -10.200 -0.716 1.00 0.00 C ATOM 40 O SER A 5 -1.993 -9.322 -1.307 1.00 0.00 O ATOM 41 CB SER A 5 -3.895 -9.972 1.425 1.00 0.00 C ATOM 42 OG SER A 5 -3.950 -10.366 2.786 1.00 0.00 O ATOM 0 H SER A 5 -1.418 -8.566 0.897 1.00 0.00 H new ATOM 0 HA SER A 5 -2.304 -11.366 1.049 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.060 -8.897 1.347 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.697 -10.459 0.870 1.00 0.00 H new ATOM 0 HG SER A 5 -4.822 -10.123 3.162 1.00 0.00 H new ATOM 48 N SER A 6 -3.397 -11.080 -1.341 1.00 0.00 N ATOM 49 CA SER A 6 -3.554 -11.066 -2.791 1.00 0.00 C ATOM 50 C SER A 6 -4.678 -10.121 -3.207 1.00 0.00 C ATOM 51 O SER A 6 -4.499 -9.272 -4.078 1.00 0.00 O ATOM 52 CB SER A 6 -3.842 -12.477 -3.308 1.00 0.00 C ATOM 53 OG SER A 6 -2.822 -13.380 -2.919 1.00 0.00 O ATOM 0 H SER A 6 -3.926 -11.812 -0.866 1.00 0.00 H new ATOM 0 HA SER A 6 -2.622 -10.709 -3.229 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.802 -12.820 -2.923 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.922 -12.460 -4.395 1.00 0.00 H new ATOM 0 HG SER A 6 -3.030 -14.275 -3.260 1.00 0.00 H new ATOM 59 N GLY A 7 -5.837 -10.276 -2.575 1.00 0.00 N ATOM 60 CA GLY A 7 -6.974 -9.431 -2.891 1.00 0.00 C ATOM 61 C GLY A 7 -8.072 -10.184 -3.616 1.00 0.00 C ATOM 62 O GLY A 7 -8.118 -11.414 -3.584 1.00 0.00 O ATOM 0 H GLY A 7 -6.009 -10.972 -1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.375 -9.007 -1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.642 -8.596 -3.508 1.00 0.00 H new ATOM 66 N LYS A 8 -8.960 -9.445 -4.272 1.00 0.00 N ATOM 67 CA LYS A 8 -10.065 -10.048 -5.008 1.00 0.00 C ATOM 68 C LYS A 8 -9.701 -10.236 -6.477 1.00 0.00 C ATOM 69 O LYS A 8 -8.797 -9.577 -6.992 1.00 0.00 O ATOM 70 CB LYS A 8 -11.319 -9.180 -4.889 1.00 0.00 C ATOM 71 CG LYS A 8 -11.895 -9.132 -3.485 1.00 0.00 C ATOM 72 CD LYS A 8 -11.132 -8.159 -2.602 1.00 0.00 C ATOM 73 CE LYS A 8 -11.852 -7.920 -1.284 1.00 0.00 C ATOM 74 NZ LYS A 8 -11.065 -7.043 -0.373 1.00 0.00 N ATOM 0 H LYS A 8 -8.936 -8.426 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.267 -11.027 -4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.080 -8.166 -5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.079 -9.559 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.944 -8.838 -3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.863 -10.128 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.133 -8.550 -2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.007 -7.212 -3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.823 -7.464 -1.478 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.041 -8.876 -0.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.590 -6.904 0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.149 -7.490 -0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.906 -6.122 -0.829 1.00 0.00 H new ATOM 88 N ARG A 9 -10.410 -11.138 -7.148 1.00 0.00 N ATOM 89 CA ARG A 9 -10.162 -11.411 -8.558 1.00 0.00 C ATOM 90 C ARG A 9 -10.876 -10.395 -9.443 1.00 0.00 C ATOM 91 O ARG A 9 -10.240 -9.658 -10.196 1.00 0.00 O ATOM 92 CB ARG A 9 -10.622 -12.826 -8.914 1.00 0.00 C ATOM 93 CG ARG A 9 -9.900 -13.915 -8.137 1.00 0.00 C ATOM 94 CD ARG A 9 -10.409 -15.298 -8.513 1.00 0.00 C ATOM 95 NE ARG A 9 -11.522 -15.720 -7.668 1.00 0.00 N ATOM 96 CZ ARG A 9 -11.368 -16.263 -6.466 1.00 0.00 C ATOM 97 NH1 ARG A 9 -10.153 -16.449 -5.970 1.00 0.00 N ATOM 98 NH2 ARG A 9 -12.431 -16.622 -5.756 1.00 0.00 N ATOM 0 H ARG A 9 -11.161 -11.692 -6.737 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.089 -11.330 -8.734 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.693 -12.908 -8.728 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.470 -12.991 -9.981 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.829 -13.854 -8.333 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.038 -13.753 -7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.726 -15.296 -9.556 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.596 -16.019 -8.428 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.470 -15.591 -8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.333 -16.175 -6.512 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.038 -16.866 -5.046 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.368 -16.481 -6.134 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.311 -17.039 -4.833 1.00 0.00 H new ATOM 112 N GLN A 10 -12.202 -10.361 -9.346 1.00 0.00 N ATOM 113 CA GLN A 10 -13.002 -9.436 -10.139 1.00 0.00 C ATOM 114 C GLN A 10 -14.441 -9.391 -9.636 1.00 0.00 C ATOM 115 O GLN A 10 -15.148 -10.398 -9.654 1.00 0.00 O ATOM 116 CB GLN A 10 -12.978 -9.842 -11.614 1.00 0.00 C ATOM 117 CG GLN A 10 -13.596 -8.807 -12.540 1.00 0.00 C ATOM 118 CD GLN A 10 -13.833 -9.343 -13.938 1.00 0.00 C ATOM 119 OE1 GLN A 10 -14.413 -10.415 -14.115 1.00 0.00 O ATOM 120 NE2 GLN A 10 -13.386 -8.598 -14.942 1.00 0.00 N ATOM 0 H GLN A 10 -12.744 -10.963 -8.726 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.569 -8.441 -10.036 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.946 -10.018 -11.917 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.510 -10.786 -11.731 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.543 -8.468 -12.120 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.942 -7.937 -12.595 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.911 -7.716 -14.750 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.518 -8.908 -15.905 1.00 0.00 H new ATOM 129 N LYS A 11 -14.868 -8.216 -9.185 1.00 0.00 N ATOM 130 CA LYS A 11 -16.223 -8.038 -8.676 1.00 0.00 C ATOM 131 C LYS A 11 -16.631 -6.569 -8.719 1.00 0.00 C ATOM 132 O LYS A 11 -15.781 -5.680 -8.761 1.00 0.00 O ATOM 133 CB LYS A 11 -16.325 -8.565 -7.243 1.00 0.00 C ATOM 134 CG LYS A 11 -17.733 -8.971 -6.843 1.00 0.00 C ATOM 135 CD LYS A 11 -18.152 -10.267 -7.518 1.00 0.00 C ATOM 136 CE LYS A 11 -19.199 -11.007 -6.701 1.00 0.00 C ATOM 137 NZ LYS A 11 -19.534 -12.330 -7.297 1.00 0.00 N ATOM 0 H LYS A 11 -14.295 -7.373 -9.162 1.00 0.00 H new ATOM 0 HA LYS A 11 -16.902 -8.604 -9.314 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.663 -9.424 -7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.968 -7.797 -6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.785 -9.090 -5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.431 -8.178 -7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.549 -10.050 -8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.279 -10.905 -7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.833 -11.149 -5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -20.102 -10.400 -6.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -20.251 -12.803 -6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -19.907 -12.193 -8.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.678 -12.919 -7.339 1.00 0.00 H new ATOM 151 N ILE A 12 -17.937 -6.322 -8.708 1.00 0.00 N ATOM 152 CA ILE A 12 -18.457 -4.961 -8.744 1.00 0.00 C ATOM 153 C ILE A 12 -17.732 -4.069 -7.741 1.00 0.00 C ATOM 154 O ILE A 12 -17.182 -4.551 -6.750 1.00 0.00 O ATOM 155 CB ILE A 12 -19.967 -4.927 -8.444 1.00 0.00 C ATOM 156 CG1 ILE A 12 -20.245 -5.484 -7.047 1.00 0.00 C ATOM 157 CG2 ILE A 12 -20.733 -5.716 -9.496 1.00 0.00 C ATOM 158 CD1 ILE A 12 -21.623 -5.144 -6.524 1.00 0.00 C ATOM 0 H ILE A 12 -18.654 -7.047 -8.674 1.00 0.00 H new ATOM 0 HA ILE A 12 -18.286 -4.585 -9.753 1.00 0.00 H new ATOM 0 HB ILE A 12 -20.305 -3.891 -8.475 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -20.130 -6.568 -7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -19.497 -5.097 -6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -21.799 -5.683 -9.271 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -20.556 -5.279 -10.479 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -20.393 -6.752 -9.493 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -21.750 -5.571 -5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -21.735 -4.061 -6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -22.378 -5.555 -7.194 1.00 0.00 H new ATOM 170 N HIS A 13 -17.736 -2.767 -8.005 1.00 0.00 N ATOM 171 CA HIS A 13 -17.081 -1.806 -7.125 1.00 0.00 C ATOM 172 C HIS A 13 -18.044 -1.306 -6.052 1.00 0.00 C ATOM 173 O HIS A 13 -19.221 -1.670 -6.042 1.00 0.00 O ATOM 174 CB HIS A 13 -16.542 -0.626 -7.933 1.00 0.00 C ATOM 175 CG HIS A 13 -17.472 -0.166 -9.014 1.00 0.00 C ATOM 176 ND1 HIS A 13 -17.530 -0.758 -10.259 1.00 0.00 N ATOM 177 CD2 HIS A 13 -18.385 0.832 -9.031 1.00 0.00 C ATOM 178 CE1 HIS A 13 -18.437 -0.142 -10.995 1.00 0.00 C ATOM 179 NE2 HIS A 13 -18.971 0.827 -10.273 1.00 0.00 N ATOM 0 H HIS A 13 -18.186 -2.353 -8.821 1.00 0.00 H new ATOM 0 HA HIS A 13 -16.249 -2.310 -6.634 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -16.343 0.206 -7.257 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -15.589 -0.908 -8.380 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -18.611 1.507 -8.219 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -18.698 -0.388 -12.014 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -19.700 1.467 -10.587 1.00 0.00 H new ATOM 187 N LEU A 14 -17.538 -0.471 -5.152 1.00 0.00 N ATOM 188 CA LEU A 14 -18.353 0.078 -4.074 1.00 0.00 C ATOM 189 C LEU A 14 -18.551 1.580 -4.253 1.00 0.00 C ATOM 190 O LEU A 14 -17.953 2.195 -5.135 1.00 0.00 O ATOM 191 CB LEU A 14 -17.702 -0.204 -2.720 1.00 0.00 C ATOM 192 CG LEU A 14 -17.633 -1.673 -2.302 1.00 0.00 C ATOM 193 CD1 LEU A 14 -16.443 -2.359 -2.955 1.00 0.00 C ATOM 194 CD2 LEU A 14 -17.554 -1.794 -0.787 1.00 0.00 C ATOM 0 H LEU A 14 -16.567 -0.159 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 14 -19.329 -0.406 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.688 0.196 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -18.250 0.346 -1.954 1.00 0.00 H new ATOM 0 HG LEU A 14 -18.543 -2.169 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.410 -3.404 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.542 -2.305 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.523 -1.861 -2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -17.506 -2.847 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.662 -1.282 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -18.438 -1.340 -0.339 1.00 0.00 H new ATOM 206 N GLY A 15 -19.393 2.166 -3.407 1.00 0.00 N ATOM 207 CA GLY A 15 -19.653 3.592 -3.487 1.00 0.00 C ATOM 208 C GLY A 15 -18.546 4.418 -2.862 1.00 0.00 C ATOM 209 O GLY A 15 -18.812 5.357 -2.111 1.00 0.00 O ATOM 0 H GLY A 15 -19.900 1.679 -2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.771 3.879 -4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.596 3.815 -2.987 1.00 0.00 H new ATOM 213 N ASP A 16 -17.303 4.069 -3.171 1.00 0.00 N ATOM 214 CA ASP A 16 -16.151 4.785 -2.634 1.00 0.00 C ATOM 215 C ASP A 16 -15.191 5.184 -3.751 1.00 0.00 C ATOM 216 O ASP A 16 -15.373 4.800 -4.906 1.00 0.00 O ATOM 217 CB ASP A 16 -15.423 3.923 -1.602 1.00 0.00 C ATOM 218 CG ASP A 16 -14.373 4.701 -0.835 1.00 0.00 C ATOM 219 OD1 ASP A 16 -14.633 5.874 -0.495 1.00 0.00 O ATOM 220 OD2 ASP A 16 -13.290 4.137 -0.574 1.00 0.00 O ATOM 0 H ASP A 16 -17.066 3.294 -3.791 1.00 0.00 H new ATOM 0 HA ASP A 16 -16.512 5.692 -2.148 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -16.149 3.510 -0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -14.950 3.080 -2.106 1.00 0.00 H new ATOM 225 N ARG A 17 -14.169 5.957 -3.397 1.00 0.00 N ATOM 226 CA ARG A 17 -13.181 6.409 -4.369 1.00 0.00 C ATOM 227 C ARG A 17 -11.920 5.552 -4.302 1.00 0.00 C ATOM 228 O ARG A 17 -10.877 6.002 -3.829 1.00 0.00 O ATOM 229 CB ARG A 17 -12.827 7.877 -4.122 1.00 0.00 C ATOM 230 CG ARG A 17 -12.371 8.162 -2.701 1.00 0.00 C ATOM 231 CD ARG A 17 -12.218 9.655 -2.454 1.00 0.00 C ATOM 232 NE ARG A 17 -11.437 9.934 -1.252 1.00 0.00 N ATOM 233 CZ ARG A 17 -11.477 11.092 -0.602 1.00 0.00 C ATOM 234 NH1 ARG A 17 -12.256 12.073 -1.035 1.00 0.00 N ATOM 235 NH2 ARG A 17 -10.737 11.270 0.485 1.00 0.00 N ATOM 0 H ARG A 17 -14.004 6.283 -2.445 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.614 6.309 -5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.039 8.173 -4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.697 8.495 -4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.092 7.747 -1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.420 7.662 -2.516 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.735 10.117 -3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.204 10.110 -2.359 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.828 9.200 -0.892 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.827 11.940 -1.870 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.284 12.961 -0.534 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.137 10.517 0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.768 12.159 0.983 1.00 0.00 H new ATOM 249 N SER A 18 -12.025 4.316 -4.779 1.00 0.00 N ATOM 250 CA SER A 18 -10.895 3.395 -4.770 1.00 0.00 C ATOM 251 C SER A 18 -10.336 3.207 -6.177 1.00 0.00 C ATOM 252 O SER A 18 -11.049 2.787 -7.088 1.00 0.00 O ATOM 253 CB SER A 18 -11.317 2.042 -4.192 1.00 0.00 C ATOM 254 OG SER A 18 -11.490 2.119 -2.788 1.00 0.00 O ATOM 0 H SER A 18 -12.881 3.929 -5.177 1.00 0.00 H new ATOM 0 HA SER A 18 -10.114 3.823 -4.142 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.247 1.718 -4.659 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.563 1.291 -4.428 1.00 0.00 H new ATOM 0 HG SER A 18 -11.761 1.243 -2.443 1.00 0.00 H new ATOM 260 N GLN A 19 -9.056 3.521 -6.345 1.00 0.00 N ATOM 261 CA GLN A 19 -8.400 3.388 -7.641 1.00 0.00 C ATOM 262 C GLN A 19 -7.477 2.174 -7.662 1.00 0.00 C ATOM 263 O GLN A 19 -6.917 1.789 -6.635 1.00 0.00 O ATOM 264 CB GLN A 19 -7.606 4.654 -7.966 1.00 0.00 C ATOM 265 CG GLN A 19 -7.021 4.661 -9.370 1.00 0.00 C ATOM 266 CD GLN A 19 -6.288 5.949 -9.690 1.00 0.00 C ATOM 267 OE1 GLN A 19 -6.675 6.689 -10.595 1.00 0.00 O ATOM 268 NE2 GLN A 19 -5.222 6.223 -8.947 1.00 0.00 N ATOM 0 H GLN A 19 -8.452 3.869 -5.600 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.171 3.247 -8.398 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.256 5.521 -7.848 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.797 4.761 -7.244 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.335 3.821 -9.478 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.822 4.514 -10.094 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.937 5.581 -8.207 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.688 7.075 -9.116 1.00 0.00 H new ATOM 277 N LYS A 20 -7.323 1.575 -8.837 1.00 0.00 N ATOM 278 CA LYS A 20 -6.467 0.405 -8.993 1.00 0.00 C ATOM 279 C LYS A 20 -5.054 0.814 -9.397 1.00 0.00 C ATOM 280 O LYS A 20 -4.839 1.349 -10.485 1.00 0.00 O ATOM 281 CB LYS A 20 -7.053 -0.545 -10.040 1.00 0.00 C ATOM 282 CG LYS A 20 -6.278 -1.844 -10.185 1.00 0.00 C ATOM 283 CD LYS A 20 -6.818 -2.691 -11.325 1.00 0.00 C ATOM 284 CE LYS A 20 -6.252 -4.103 -11.286 1.00 0.00 C ATOM 285 NZ LYS A 20 -6.621 -4.882 -12.500 1.00 0.00 N ATOM 0 H LYS A 20 -7.780 1.880 -9.696 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.417 -0.108 -8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.084 -0.775 -9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.079 -0.038 -11.004 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.225 -1.623 -10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.333 -2.408 -9.254 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.906 -2.732 -11.266 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.568 -2.224 -12.277 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.166 -4.057 -11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.620 -4.618 -10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.217 -5.838 -12.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.657 -4.948 -12.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.248 -4.405 -13.345 1.00 0.00 H new ATOM 299 N CYS A 21 -4.094 0.559 -8.514 1.00 0.00 N ATOM 300 CA CYS A 21 -2.701 0.900 -8.779 1.00 0.00 C ATOM 301 C CYS A 21 -2.193 0.183 -10.026 1.00 0.00 C ATOM 302 O CYS A 21 -2.765 -0.819 -10.455 1.00 0.00 O ATOM 303 CB CYS A 21 -1.828 0.535 -7.577 1.00 0.00 C ATOM 304 SG CYS A 21 -0.042 0.514 -7.934 1.00 0.00 S ATOM 0 H CYS A 21 -4.255 0.117 -7.609 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.642 1.975 -8.950 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.019 1.247 -6.774 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.126 -0.447 -7.210 1.00 0.00 H new ATOM 309 N SER A 22 -1.116 0.705 -10.604 1.00 0.00 N ATOM 310 CA SER A 22 -0.532 0.117 -11.804 1.00 0.00 C ATOM 311 C SER A 22 0.789 -0.575 -11.483 1.00 0.00 C ATOM 312 O SER A 22 1.113 -1.616 -12.055 1.00 0.00 O ATOM 313 CB SER A 22 -0.311 1.194 -12.869 1.00 0.00 C ATOM 314 OG SER A 22 -0.220 0.621 -14.162 1.00 0.00 O ATOM 0 H SER A 22 -0.630 1.534 -10.261 1.00 0.00 H new ATOM 0 HA SER A 22 -1.228 -0.628 -12.189 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.132 1.910 -12.842 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.602 1.747 -12.648 1.00 0.00 H new ATOM 0 HG SER A 22 -0.080 1.329 -14.825 1.00 0.00 H new ATOM 320 N LYS A 23 1.549 0.011 -10.564 1.00 0.00 N ATOM 321 CA LYS A 23 2.835 -0.547 -10.164 1.00 0.00 C ATOM 322 C LYS A 23 2.684 -2.001 -9.727 1.00 0.00 C ATOM 323 O LYS A 23 3.292 -2.901 -10.307 1.00 0.00 O ATOM 324 CB LYS A 23 3.441 0.278 -9.027 1.00 0.00 C ATOM 325 CG LYS A 23 4.624 -0.393 -8.352 1.00 0.00 C ATOM 326 CD LYS A 23 5.894 -0.242 -9.172 1.00 0.00 C ATOM 327 CE LYS A 23 7.024 -1.093 -8.613 1.00 0.00 C ATOM 328 NZ LYS A 23 8.068 -1.372 -9.637 1.00 0.00 N ATOM 0 H LYS A 23 1.296 0.873 -10.082 1.00 0.00 H new ATOM 0 HA LYS A 23 3.502 -0.512 -11.025 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.758 1.244 -9.419 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.671 0.474 -8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.774 0.041 -7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.408 -1.451 -8.206 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.698 -0.529 -10.205 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.198 0.805 -9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.477 -0.582 -7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.620 -2.034 -8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.820 -1.954 -9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.642 -1.882 -10.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.472 -0.475 -9.974 1.00 0.00 H new ATOM 342 N CYS A 24 1.869 -2.224 -8.701 1.00 0.00 N ATOM 343 CA CYS A 24 1.637 -3.568 -8.187 1.00 0.00 C ATOM 344 C CYS A 24 0.274 -4.092 -8.630 1.00 0.00 C ATOM 345 O CYS A 24 0.143 -5.246 -9.035 1.00 0.00 O ATOM 346 CB CYS A 24 1.726 -3.574 -6.659 1.00 0.00 C ATOM 347 SG CYS A 24 0.292 -2.819 -5.828 1.00 0.00 S ATOM 0 H CYS A 24 1.358 -1.491 -8.209 1.00 0.00 H new ATOM 0 HA CYS A 24 2.408 -4.224 -8.592 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.831 -4.603 -6.316 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.629 -3.043 -6.356 1.00 0.00 H new ATOM 352 N GLY A 25 -0.739 -3.235 -8.548 1.00 0.00 N ATOM 353 CA GLY A 25 -2.078 -3.629 -8.944 1.00 0.00 C ATOM 354 C GLY A 25 -2.971 -3.925 -7.755 1.00 0.00 C ATOM 355 O GLY A 25 -3.692 -4.923 -7.746 1.00 0.00 O ATOM 0 H GLY A 25 -0.656 -2.275 -8.214 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.525 -2.835 -9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.020 -4.512 -9.580 1.00 0.00 H new ATOM 359 N ILE A 26 -2.920 -3.058 -6.749 1.00 0.00 N ATOM 360 CA ILE A 26 -3.730 -3.233 -5.550 1.00 0.00 C ATOM 361 C ILE A 26 -4.806 -2.156 -5.451 1.00 0.00 C ATOM 362 O ILE A 26 -4.676 -1.080 -6.036 1.00 0.00 O ATOM 363 CB ILE A 26 -2.865 -3.196 -4.276 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.656 -3.732 -3.081 1.00 0.00 C ATOM 365 CG2 ILE A 26 -2.380 -1.780 -4.006 1.00 0.00 C ATOM 366 CD1 ILE A 26 -2.884 -3.693 -1.780 1.00 0.00 C ATOM 0 H ILE A 26 -2.327 -2.228 -6.741 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.204 -4.211 -5.630 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.994 -3.834 -4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.570 -3.149 -2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.956 -4.760 -3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.770 -1.770 -3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.784 -1.432 -4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.238 -1.121 -3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.505 -4.088 -0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.983 -4.299 -1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.607 -2.664 -1.552 1.00 0.00 H new ATOM 378 N ILE A 27 -5.865 -2.453 -4.707 1.00 0.00 N ATOM 379 CA ILE A 27 -6.962 -1.509 -4.529 1.00 0.00 C ATOM 380 C ILE A 27 -6.694 -0.569 -3.359 1.00 0.00 C ATOM 381 O ILE A 27 -6.511 -1.010 -2.224 1.00 0.00 O ATOM 382 CB ILE A 27 -8.298 -2.237 -4.292 1.00 0.00 C ATOM 383 CG1 ILE A 27 -8.631 -3.139 -5.483 1.00 0.00 C ATOM 384 CG2 ILE A 27 -9.415 -1.231 -4.055 1.00 0.00 C ATOM 385 CD1 ILE A 27 -8.858 -2.379 -6.771 1.00 0.00 C ATOM 0 H ILE A 27 -5.987 -3.339 -4.218 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.032 -0.929 -5.449 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.202 -2.861 -3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.818 -3.850 -5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.524 -3.719 -5.251 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.353 -1.761 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.180 -0.626 -3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.513 -0.584 -4.927 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.089 -3.081 -7.572 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.691 -1.687 -6.643 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.958 -1.820 -7.027 1.00 0.00 H new ATOM 397 N PHE A 28 -6.674 0.729 -3.643 1.00 0.00 N ATOM 398 CA PHE A 28 -6.429 1.733 -2.614 1.00 0.00 C ATOM 399 C PHE A 28 -7.336 2.944 -2.809 1.00 0.00 C ATOM 400 O PHE A 28 -7.767 3.237 -3.925 1.00 0.00 O ATOM 401 CB PHE A 28 -4.963 2.170 -2.636 1.00 0.00 C ATOM 402 CG PHE A 28 -4.608 3.016 -3.825 1.00 0.00 C ATOM 403 CD1 PHE A 28 -4.265 2.428 -5.032 1.00 0.00 C ATOM 404 CD2 PHE A 28 -4.616 4.398 -3.736 1.00 0.00 C ATOM 405 CE1 PHE A 28 -3.938 3.203 -6.129 1.00 0.00 C ATOM 406 CE2 PHE A 28 -4.291 5.179 -4.830 1.00 0.00 C ATOM 407 CZ PHE A 28 -3.950 4.580 -6.027 1.00 0.00 C ATOM 0 H PHE A 28 -6.824 1.110 -4.577 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.653 1.286 -1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.745 2.727 -1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.328 1.284 -2.628 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.253 1.351 -5.117 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.879 4.871 -2.802 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.674 2.732 -7.064 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.304 6.256 -4.749 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.693 5.188 -6.882 1.00 0.00 H new ATOM 417 N ILE A 29 -7.621 3.645 -1.717 1.00 0.00 N ATOM 418 CA ILE A 29 -8.476 4.824 -1.768 1.00 0.00 C ATOM 419 C ILE A 29 -7.662 6.081 -2.057 1.00 0.00 C ATOM 420 O ILE A 29 -6.598 6.292 -1.474 1.00 0.00 O ATOM 421 CB ILE A 29 -9.247 5.019 -0.449 1.00 0.00 C ATOM 422 CG1 ILE A 29 -10.260 3.888 -0.254 1.00 0.00 C ATOM 423 CG2 ILE A 29 -9.945 6.370 -0.437 1.00 0.00 C ATOM 424 CD1 ILE A 29 -9.640 2.600 0.241 1.00 0.00 C ATOM 0 H ILE A 29 -7.272 3.417 -0.786 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.189 4.661 -2.576 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.536 4.993 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.021 4.211 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.767 3.698 -1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.485 6.492 0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.204 7.163 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.647 6.424 -1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.416 1.843 0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.899 2.253 -0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.158 2.774 1.203 1.00 0.00 H new ATOM 436 N ARG A 30 -8.169 6.913 -2.961 1.00 0.00 N ATOM 437 CA ARG A 30 -7.490 8.150 -3.328 1.00 0.00 C ATOM 438 C ARG A 30 -8.429 9.345 -3.199 1.00 0.00 C ATOM 439 O ARG A 30 -9.638 9.221 -3.395 1.00 0.00 O ATOM 440 CB ARG A 30 -6.956 8.058 -4.759 1.00 0.00 C ATOM 441 CG ARG A 30 -7.977 7.537 -5.757 1.00 0.00 C ATOM 442 CD ARG A 30 -8.821 8.664 -6.332 1.00 0.00 C ATOM 443 NE ARG A 30 -8.094 9.433 -7.338 1.00 0.00 N ATOM 444 CZ ARG A 30 -8.642 10.407 -8.056 1.00 0.00 C ATOM 445 NH1 ARG A 30 -9.916 10.729 -7.879 1.00 0.00 N ATOM 446 NH2 ARG A 30 -7.915 11.061 -8.953 1.00 0.00 N ATOM 0 H ARG A 30 -9.048 6.753 -3.453 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.654 8.293 -2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.621 9.045 -5.077 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.083 7.406 -4.771 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.464 7.017 -6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.625 6.808 -5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.726 8.249 -6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.137 9.327 -5.527 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.112 9.210 -7.498 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.478 10.228 -7.190 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.334 11.477 -8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.935 10.816 -9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.337 11.809 -9.504 1.00 0.00 H new ATOM 460 N ARG A 31 -7.864 10.502 -2.867 1.00 0.00 N ATOM 461 CA ARG A 31 -8.652 11.719 -2.710 1.00 0.00 C ATOM 462 C ARG A 31 -9.346 12.089 -4.017 1.00 0.00 C ATOM 463 O ARG A 31 -8.878 11.741 -5.101 1.00 0.00 O ATOM 464 CB ARG A 31 -7.759 12.873 -2.250 1.00 0.00 C ATOM 465 CG ARG A 31 -7.068 13.601 -3.391 1.00 0.00 C ATOM 466 CD ARG A 31 -5.971 12.749 -4.011 1.00 0.00 C ATOM 467 NE ARG A 31 -4.880 12.494 -3.075 1.00 0.00 N ATOM 468 CZ ARG A 31 -3.664 12.111 -3.449 1.00 0.00 C ATOM 469 NH1 ARG A 31 -3.386 11.941 -4.734 1.00 0.00 N ATOM 470 NH2 ARG A 31 -2.724 11.898 -2.537 1.00 0.00 N ATOM 0 H ARG A 31 -6.865 10.622 -2.702 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.415 11.534 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.362 13.586 -1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.003 12.486 -1.567 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.801 13.864 -4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.642 14.534 -3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.393 11.800 -4.343 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.579 13.250 -4.896 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.061 12.617 -2.079 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.106 12.104 -5.438 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.452 11.647 -5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.935 12.028 -1.548 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.791 11.604 -2.825 1.00 0.00 H new ATOM 484 N SER A 32 -10.466 12.796 -3.906 1.00 0.00 N ATOM 485 CA SER A 32 -11.228 13.210 -5.079 1.00 0.00 C ATOM 486 C SER A 32 -11.068 14.707 -5.330 1.00 0.00 C ATOM 487 O SER A 32 -10.764 15.133 -6.445 1.00 0.00 O ATOM 488 CB SER A 32 -12.708 12.867 -4.899 1.00 0.00 C ATOM 489 OG SER A 32 -13.192 13.335 -3.652 1.00 0.00 O ATOM 0 H SER A 32 -10.866 13.094 -3.016 1.00 0.00 H new ATOM 0 HA SER A 32 -10.840 12.671 -5.943 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.288 13.311 -5.708 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.845 11.788 -4.964 1.00 0.00 H new ATOM 0 HG SER A 32 -14.140 13.105 -3.562 1.00 0.00 H new ATOM 495 N THR A 33 -11.276 15.501 -4.285 1.00 0.00 N ATOM 496 CA THR A 33 -11.157 16.950 -4.390 1.00 0.00 C ATOM 497 C THR A 33 -9.788 17.351 -4.926 1.00 0.00 C ATOM 498 O THR A 33 -8.758 16.874 -4.447 1.00 0.00 O ATOM 499 CB THR A 33 -11.384 17.633 -3.028 1.00 0.00 C ATOM 500 OG1 THR A 33 -12.676 17.288 -2.516 1.00 0.00 O ATOM 501 CG2 THR A 33 -11.270 19.145 -3.156 1.00 0.00 C ATOM 0 H THR A 33 -11.528 15.165 -3.355 1.00 0.00 H new ATOM 0 HA THR A 33 -11.928 17.281 -5.086 1.00 0.00 H new ATOM 0 HB THR A 33 -10.616 17.284 -2.338 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.812 17.725 -1.649 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.434 19.606 -2.182 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.275 19.406 -3.518 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.019 19.508 -3.860 1.00 0.00 H new ATOM 509 N LEU A 34 -9.781 18.232 -5.920 1.00 0.00 N ATOM 510 CA LEU A 34 -8.537 18.699 -6.521 1.00 0.00 C ATOM 511 C LEU A 34 -7.792 17.550 -7.193 1.00 0.00 C ATOM 512 O LEU A 34 -6.576 17.419 -7.053 1.00 0.00 O ATOM 513 CB LEU A 34 -7.646 19.347 -5.459 1.00 0.00 C ATOM 514 CG LEU A 34 -6.443 20.134 -5.980 1.00 0.00 C ATOM 515 CD1 LEU A 34 -6.856 21.545 -6.369 1.00 0.00 C ATOM 516 CD2 LEU A 34 -5.336 20.168 -4.937 1.00 0.00 C ATOM 0 H LEU A 34 -10.624 18.638 -6.327 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.785 19.441 -7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.260 20.017 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.282 18.565 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.062 19.632 -6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.987 22.090 -6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.614 21.500 -7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.263 22.058 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.488 20.732 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.705 20.646 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.020 19.150 -4.708 1.00 0.00 H new ATOM 528 N SER A 35 -8.530 16.722 -7.926 1.00 0.00 N ATOM 529 CA SER A 35 -7.940 15.583 -8.620 1.00 0.00 C ATOM 530 C SER A 35 -6.738 16.018 -9.454 1.00 0.00 C ATOM 531 O SER A 35 -6.890 16.518 -10.568 1.00 0.00 O ATOM 532 CB SER A 35 -8.980 14.911 -9.517 1.00 0.00 C ATOM 533 OG SER A 35 -8.369 13.996 -10.410 1.00 0.00 O ATOM 0 H SER A 35 -9.537 16.819 -8.055 1.00 0.00 H new ATOM 0 HA SER A 35 -7.601 14.868 -7.870 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.713 14.389 -8.902 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.521 15.669 -10.083 1.00 0.00 H new ATOM 0 HG SER A 35 -9.055 13.579 -10.971 1.00 0.00 H new ATOM 539 N ARG A 36 -5.543 15.824 -8.904 1.00 0.00 N ATOM 540 CA ARG A 36 -4.315 16.197 -9.595 1.00 0.00 C ATOM 541 C ARG A 36 -3.752 15.014 -10.379 1.00 0.00 C ATOM 542 O ARG A 36 -3.668 13.899 -9.864 1.00 0.00 O ATOM 543 CB ARG A 36 -3.274 16.701 -8.594 1.00 0.00 C ATOM 544 CG ARG A 36 -1.951 17.089 -9.234 1.00 0.00 C ATOM 545 CD ARG A 36 -1.212 18.125 -8.402 1.00 0.00 C ATOM 546 NE ARG A 36 -0.561 17.529 -7.238 1.00 0.00 N ATOM 547 CZ ARG A 36 0.376 18.144 -6.526 1.00 0.00 C ATOM 548 NH1 ARG A 36 0.769 19.366 -6.856 1.00 0.00 N ATOM 549 NH2 ARG A 36 0.922 17.536 -5.480 1.00 0.00 N ATOM 0 H ARG A 36 -5.400 15.411 -7.982 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.551 16.997 -10.297 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.679 17.564 -8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.094 15.926 -7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.328 16.202 -9.350 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.131 17.485 -10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.464 18.621 -9.021 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.913 18.892 -8.072 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.841 16.589 -6.957 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.351 19.837 -7.659 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.489 19.836 -6.307 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.622 16.596 -5.223 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.642 18.009 -4.934 1.00 0.00 H new ATOM 563 N ARG A 37 -3.368 15.267 -11.626 1.00 0.00 N ATOM 564 CA ARG A 37 -2.815 14.223 -12.481 1.00 0.00 C ATOM 565 C ARG A 37 -1.537 13.647 -11.877 1.00 0.00 C ATOM 566 O ARG A 37 -0.651 14.386 -11.448 1.00 0.00 O ATOM 567 CB ARG A 37 -2.527 14.778 -13.877 1.00 0.00 C ATOM 568 CG ARG A 37 -1.545 15.938 -13.881 1.00 0.00 C ATOM 569 CD ARG A 37 -2.265 17.277 -13.843 1.00 0.00 C ATOM 570 NE ARG A 37 -1.470 18.343 -14.447 1.00 0.00 N ATOM 571 CZ ARG A 37 -1.439 18.587 -15.752 1.00 0.00 C ATOM 572 NH1 ARG A 37 -2.154 17.844 -16.586 1.00 0.00 N ATOM 573 NH2 ARG A 37 -0.691 19.575 -16.226 1.00 0.00 N ATOM 0 H ARG A 37 -3.430 16.185 -12.067 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.552 13.424 -12.560 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.133 13.977 -14.503 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.464 15.104 -14.329 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.880 15.856 -13.021 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.921 15.885 -14.773 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.216 17.192 -14.368 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.494 17.536 -12.809 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.908 18.932 -13.833 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.730 17.083 -16.226 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.128 18.034 -17.588 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.139 20.148 -15.588 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.668 19.761 -17.229 1.00 0.00 H new ATOM 587 N LYS A 38 -1.449 12.321 -11.848 1.00 0.00 N ATOM 588 CA LYS A 38 -0.281 11.644 -11.298 1.00 0.00 C ATOM 589 C LYS A 38 -0.394 10.133 -11.476 1.00 0.00 C ATOM 590 O LYS A 38 -1.378 9.633 -12.022 1.00 0.00 O ATOM 591 CB LYS A 38 -0.120 11.983 -9.814 1.00 0.00 C ATOM 592 CG LYS A 38 -1.416 11.899 -9.027 1.00 0.00 C ATOM 593 CD LYS A 38 -1.438 12.895 -7.881 1.00 0.00 C ATOM 594 CE LYS A 38 -0.664 12.378 -6.678 1.00 0.00 C ATOM 595 NZ LYS A 38 -0.648 13.365 -5.563 1.00 0.00 N ATOM 0 H LYS A 38 -2.173 11.694 -12.199 1.00 0.00 H new ATOM 0 HA LYS A 38 0.598 11.992 -11.841 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.609 11.304 -9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.287 12.990 -9.722 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.259 12.089 -9.691 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.540 10.889 -8.635 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.009 13.841 -8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.470 13.096 -7.592 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.111 11.446 -6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.359 12.149 -6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.329 13.677 -5.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.234 14.186 -5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.028 12.922 -4.702 1.00 0.00 H new ATOM 609 N THR A 39 0.619 9.409 -11.011 1.00 0.00 N ATOM 610 CA THR A 39 0.633 7.956 -11.118 1.00 0.00 C ATOM 611 C THR A 39 -0.361 7.323 -10.151 1.00 0.00 C ATOM 612 O THR A 39 -0.462 7.709 -8.986 1.00 0.00 O ATOM 613 CB THR A 39 2.037 7.385 -10.839 1.00 0.00 C ATOM 614 OG1 THR A 39 3.031 8.202 -11.467 1.00 0.00 O ATOM 615 CG2 THR A 39 2.151 5.956 -11.348 1.00 0.00 C ATOM 0 H THR A 39 1.441 9.806 -10.556 1.00 0.00 H new ATOM 0 HA THR A 39 0.346 7.713 -12.141 1.00 0.00 H new ATOM 0 HB THR A 39 2.197 7.383 -9.761 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.921 7.834 -11.284 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.151 5.574 -11.140 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.412 5.331 -10.846 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.972 5.937 -12.423 1.00 0.00 H new ATOM 623 N PRO A 40 -1.115 6.329 -10.643 1.00 0.00 N ATOM 624 CA PRO A 40 -2.115 5.621 -9.838 1.00 0.00 C ATOM 625 C PRO A 40 -1.479 4.742 -8.766 1.00 0.00 C ATOM 626 O PRO A 40 -2.168 3.987 -8.081 1.00 0.00 O ATOM 627 CB PRO A 40 -2.853 4.760 -10.866 1.00 0.00 C ATOM 628 CG PRO A 40 -1.871 4.561 -11.969 1.00 0.00 C ATOM 629 CD PRO A 40 -1.048 5.818 -12.022 1.00 0.00 C ATOM 0 HA PRO A 40 -2.762 6.309 -9.295 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.163 3.808 -10.435 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.755 5.257 -11.224 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.243 3.691 -11.780 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.379 4.387 -12.917 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.021 5.613 -12.325 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.454 6.534 -12.736 1.00 0.00 H new ATOM 637 N MET A 41 -0.162 4.845 -8.627 1.00 0.00 N ATOM 638 CA MET A 41 0.566 4.060 -7.636 1.00 0.00 C ATOM 639 C MET A 41 -0.116 4.138 -6.274 1.00 0.00 C ATOM 640 O MET A 41 -0.535 5.210 -5.838 1.00 0.00 O ATOM 641 CB MET A 41 2.010 4.552 -7.525 1.00 0.00 C ATOM 642 CG MET A 41 2.970 3.833 -8.460 1.00 0.00 C ATOM 643 SD MET A 41 4.635 4.523 -8.410 1.00 0.00 S ATOM 644 CE MET A 41 5.603 3.050 -8.091 1.00 0.00 C ATOM 0 H MET A 41 0.424 5.464 -9.188 1.00 0.00 H new ATOM 0 HA MET A 41 0.568 3.020 -7.963 1.00 0.00 H new ATOM 0 HB2 MET A 41 2.039 5.620 -7.739 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.351 4.423 -6.498 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.010 2.777 -8.192 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.588 3.889 -9.479 1.00 0.00 H new ATOM 0 HE1 MET A 41 6.214 3.202 -7.202 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.935 2.203 -7.932 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.249 2.847 -8.945 1.00 0.00 H new ATOM 654 N CYS A 42 -0.224 2.994 -5.605 1.00 0.00 N ATOM 655 CA CYS A 42 -0.855 2.932 -4.293 1.00 0.00 C ATOM 656 C CYS A 42 0.042 3.556 -3.228 1.00 0.00 C ATOM 657 O CYS A 42 1.251 3.681 -3.416 1.00 0.00 O ATOM 658 CB CYS A 42 -1.170 1.481 -3.923 1.00 0.00 C ATOM 659 SG CYS A 42 0.279 0.377 -3.948 1.00 0.00 S ATOM 0 H CYS A 42 0.118 2.097 -5.951 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.785 3.499 -4.338 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.613 1.459 -2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.919 1.095 -4.614 1.00 0.00 H new ATOM 664 N GLU A 43 -0.561 3.947 -2.109 1.00 0.00 N ATOM 665 CA GLU A 43 0.183 4.559 -1.014 1.00 0.00 C ATOM 666 C GLU A 43 1.461 3.778 -0.722 1.00 0.00 C ATOM 667 O GLU A 43 2.529 4.360 -0.532 1.00 0.00 O ATOM 668 CB GLU A 43 -0.684 4.630 0.244 1.00 0.00 C ATOM 669 CG GLU A 43 -1.145 3.271 0.743 1.00 0.00 C ATOM 670 CD GLU A 43 -1.930 3.360 2.038 1.00 0.00 C ATOM 671 OE1 GLU A 43 -1.302 3.332 3.116 1.00 0.00 O ATOM 672 OE2 GLU A 43 -3.174 3.460 1.971 1.00 0.00 O ATOM 0 H GLU A 43 -1.562 3.851 -1.937 1.00 0.00 H new ATOM 0 HA GLU A 43 0.457 5.570 -1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.122 5.126 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.558 5.248 0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.763 2.798 -0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.277 2.629 0.892 1.00 0.00 H new ATOM 679 N LYS A 44 1.343 2.455 -0.685 1.00 0.00 N ATOM 680 CA LYS A 44 2.487 1.591 -0.416 1.00 0.00 C ATOM 681 C LYS A 44 3.584 1.802 -1.455 1.00 0.00 C ATOM 682 O LYS A 44 4.729 2.098 -1.112 1.00 0.00 O ATOM 683 CB LYS A 44 2.053 0.124 -0.408 1.00 0.00 C ATOM 684 CG LYS A 44 3.202 -0.851 -0.598 1.00 0.00 C ATOM 685 CD LYS A 44 3.416 -1.182 -2.065 1.00 0.00 C ATOM 686 CE LYS A 44 4.089 -2.536 -2.239 1.00 0.00 C ATOM 687 NZ LYS A 44 3.100 -3.649 -2.249 1.00 0.00 N ATOM 0 H LYS A 44 0.466 1.957 -0.838 1.00 0.00 H new ATOM 0 HA LYS A 44 2.885 1.851 0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.555 -0.094 0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.319 -0.033 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.115 -0.424 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.998 -1.767 -0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.457 -1.182 -2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.028 -0.408 -2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.654 -2.544 -3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.804 -2.693 -1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.597 -4.554 -2.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.578 -3.658 -1.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.433 -3.513 -3.035 1.00 0.00 H new ATOM 701 N CYS A 45 3.226 1.650 -2.726 1.00 0.00 N ATOM 702 CA CYS A 45 4.179 1.824 -3.815 1.00 0.00 C ATOM 703 C CYS A 45 4.795 3.220 -3.780 1.00 0.00 C ATOM 704 O CYS A 45 6.003 3.381 -3.953 1.00 0.00 O ATOM 705 CB CYS A 45 3.494 1.590 -5.163 1.00 0.00 C ATOM 706 SG CYS A 45 3.046 -0.147 -5.477 1.00 0.00 S ATOM 0 H CYS A 45 2.282 1.407 -3.027 1.00 0.00 H new ATOM 0 HA CYS A 45 4.976 1.091 -3.688 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.593 2.201 -5.211 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.155 1.933 -5.959 1.00 0.00 H new ATOM 711 N ARG A 46 3.956 4.226 -3.556 1.00 0.00 N ATOM 712 CA ARG A 46 4.416 5.608 -3.499 1.00 0.00 C ATOM 713 C ARG A 46 5.662 5.730 -2.626 1.00 0.00 C ATOM 714 O ARG A 46 6.601 6.452 -2.963 1.00 0.00 O ATOM 715 CB ARG A 46 3.310 6.515 -2.958 1.00 0.00 C ATOM 716 CG ARG A 46 2.187 6.765 -3.951 1.00 0.00 C ATOM 717 CD ARG A 46 1.295 7.913 -3.505 1.00 0.00 C ATOM 718 NE ARG A 46 2.026 9.174 -3.421 1.00 0.00 N ATOM 719 CZ ARG A 46 1.450 10.366 -3.525 1.00 0.00 C ATOM 720 NH1 ARG A 46 0.141 10.459 -3.716 1.00 0.00 N ATOM 721 NH2 ARG A 46 2.183 11.469 -3.437 1.00 0.00 N ATOM 0 H ARG A 46 2.953 4.109 -3.411 1.00 0.00 H new ATOM 0 HA ARG A 46 4.670 5.922 -4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.893 6.067 -2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.746 7.471 -2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.609 6.990 -4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.589 5.860 -4.062 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.466 8.021 -4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.863 7.679 -2.532 1.00 0.00 H new ATOM 0 HE ARG A 46 3.035 9.137 -3.274 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.426 9.614 -3.783 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.299 11.376 -3.796 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.190 11.402 -3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.739 12.384 -3.517 1.00 0.00 H new ATOM 735 N LYS A 47 5.664 5.020 -1.503 1.00 0.00 N ATOM 736 CA LYS A 47 6.793 5.047 -0.582 1.00 0.00 C ATOM 737 C LYS A 47 8.002 4.336 -1.181 1.00 0.00 C ATOM 738 O LYS A 47 9.129 4.824 -1.090 1.00 0.00 O ATOM 739 CB LYS A 47 6.409 4.392 0.747 1.00 0.00 C ATOM 740 CG LYS A 47 5.374 5.175 1.535 1.00 0.00 C ATOM 741 CD LYS A 47 4.731 4.320 2.614 1.00 0.00 C ATOM 742 CE LYS A 47 5.649 4.155 3.815 1.00 0.00 C ATOM 743 NZ LYS A 47 5.776 5.418 4.594 1.00 0.00 N ATOM 0 H LYS A 47 4.895 4.418 -1.209 1.00 0.00 H new ATOM 0 HA LYS A 47 7.059 6.089 -0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.023 3.391 0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.305 4.275 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.845 6.045 1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.605 5.547 0.858 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.794 4.777 2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.486 3.340 2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.263 3.367 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.635 3.836 3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.175 5.209 5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.404 6.076 4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.838 5.853 4.706 1.00 0.00 H new ATOM 757 N ASP A 48 7.760 3.183 -1.795 1.00 0.00 N ATOM 758 CA ASP A 48 8.829 2.407 -2.412 1.00 0.00 C ATOM 759 C ASP A 48 9.737 3.301 -3.250 1.00 0.00 C ATOM 760 O ASP A 48 10.944 3.367 -3.020 1.00 0.00 O ATOM 761 CB ASP A 48 8.243 1.295 -3.283 1.00 0.00 C ATOM 762 CG ASP A 48 9.300 0.324 -3.771 1.00 0.00 C ATOM 763 OD1 ASP A 48 10.365 0.232 -3.126 1.00 0.00 O ATOM 764 OD2 ASP A 48 9.062 -0.344 -4.799 1.00 0.00 O ATOM 0 H ASP A 48 6.833 2.765 -1.879 1.00 0.00 H new ATOM 0 HA ASP A 48 9.425 1.960 -1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.489 0.751 -2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.737 1.738 -4.141 1.00 0.00 H new ATOM 769 N SER A 49 9.147 3.988 -4.223 1.00 0.00 N ATOM 770 CA SER A 49 9.903 4.875 -5.100 1.00 0.00 C ATOM 771 C SER A 49 9.105 6.136 -5.415 1.00 0.00 C ATOM 772 O SER A 49 7.883 6.165 -5.265 1.00 0.00 O ATOM 773 CB SER A 49 10.272 4.153 -6.397 1.00 0.00 C ATOM 774 OG SER A 49 10.885 2.904 -6.129 1.00 0.00 O ATOM 0 H SER A 49 8.148 3.948 -4.424 1.00 0.00 H new ATOM 0 HA SER A 49 10.817 5.164 -4.582 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.376 4.000 -6.999 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.948 4.775 -6.983 1.00 0.00 H new ATOM 0 HG SER A 49 11.110 2.462 -6.974 1.00 0.00 H new ATOM 780 N CYS A 50 9.804 7.177 -5.854 1.00 0.00 N ATOM 781 CA CYS A 50 9.162 8.443 -6.190 1.00 0.00 C ATOM 782 C CYS A 50 9.401 8.801 -7.654 1.00 0.00 C ATOM 783 O CYS A 50 10.300 9.578 -7.973 1.00 0.00 O ATOM 784 CB CYS A 50 9.686 9.560 -5.287 1.00 0.00 C ATOM 785 SG CYS A 50 8.576 10.981 -5.153 1.00 0.00 S ATOM 0 H CYS A 50 10.815 7.169 -5.986 1.00 0.00 H new ATOM 0 HA CYS A 50 8.089 8.332 -6.032 1.00 0.00 H new ATOM 0 HB2 CYS A 50 9.862 9.155 -4.291 1.00 0.00 H new ATOM 0 HB3 CYS A 50 10.649 9.899 -5.668 1.00 0.00 H new ATOM 0 HG CYS A 50 9.104 11.872 -4.367 1.00 0.00 H new ATOM 791 N GLN A 51 8.590 8.228 -8.538 1.00 0.00 N ATOM 792 CA GLN A 51 8.715 8.485 -9.967 1.00 0.00 C ATOM 793 C GLN A 51 7.804 9.631 -10.396 1.00 0.00 C ATOM 794 O GLN A 51 6.687 9.767 -9.897 1.00 0.00 O ATOM 795 CB GLN A 51 8.379 7.224 -10.765 1.00 0.00 C ATOM 796 CG GLN A 51 9.328 6.066 -10.501 1.00 0.00 C ATOM 797 CD GLN A 51 8.993 4.838 -11.323 1.00 0.00 C ATOM 798 OE1 GLN A 51 7.834 4.605 -11.668 1.00 0.00 O ATOM 799 NE2 GLN A 51 10.008 4.044 -11.642 1.00 0.00 N ATOM 0 H GLN A 51 7.840 7.583 -8.289 1.00 0.00 H new ATOM 0 HA GLN A 51 9.747 8.770 -10.170 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.363 6.912 -10.525 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.396 7.462 -11.829 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.348 6.380 -10.723 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.296 5.809 -9.442 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.953 4.276 -11.335 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.843 3.202 -12.194 1.00 0.00 H new ATOM 808 N GLU A 52 8.288 10.451 -11.323 1.00 0.00 N ATOM 809 CA GLU A 52 7.516 11.585 -11.818 1.00 0.00 C ATOM 810 C GLU A 52 6.487 11.134 -12.850 1.00 0.00 C ATOM 811 O GLU A 52 6.606 10.056 -13.431 1.00 0.00 O ATOM 812 CB GLU A 52 8.445 12.634 -12.432 1.00 0.00 C ATOM 813 CG GLU A 52 7.922 14.055 -12.312 1.00 0.00 C ATOM 814 CD GLU A 52 8.737 15.047 -13.119 1.00 0.00 C ATOM 815 OE1 GLU A 52 9.343 14.632 -14.130 1.00 0.00 O ATOM 816 OE2 GLU A 52 8.770 16.236 -12.741 1.00 0.00 O ATOM 0 H GLU A 52 9.211 10.352 -11.746 1.00 0.00 H new ATOM 0 HA GLU A 52 6.988 12.028 -10.974 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.419 12.572 -11.947 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.598 12.400 -13.486 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.885 14.086 -12.646 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.928 14.353 -11.264 1.00 0.00 H new ATOM 823 N ALA A 53 5.476 11.968 -13.073 1.00 0.00 N ATOM 824 CA ALA A 53 4.427 11.656 -14.035 1.00 0.00 C ATOM 825 C ALA A 53 3.743 12.926 -14.531 1.00 0.00 C ATOM 826 O ALA A 53 3.406 13.809 -13.743 1.00 0.00 O ATOM 827 CB ALA A 53 3.407 10.712 -13.417 1.00 0.00 C ATOM 0 H ALA A 53 5.362 12.865 -12.600 1.00 0.00 H new ATOM 0 HA ALA A 53 4.888 11.164 -14.891 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.629 10.488 -14.147 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.901 9.788 -13.118 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.958 11.183 -12.542 1.00 0.00 H new ATOM 833 N ALA A 54 3.541 13.010 -15.842 1.00 0.00 N ATOM 834 CA ALA A 54 2.896 14.171 -16.442 1.00 0.00 C ATOM 835 C ALA A 54 1.856 13.749 -17.475 1.00 0.00 C ATOM 836 O ALA A 54 2.199 13.264 -18.554 1.00 0.00 O ATOM 837 CB ALA A 54 3.935 15.082 -17.079 1.00 0.00 C ATOM 0 H ALA A 54 3.815 12.288 -16.508 1.00 0.00 H new ATOM 0 HA ALA A 54 2.383 14.719 -15.652 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.439 15.945 -17.523 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.638 15.420 -16.318 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.473 14.535 -17.853 1.00 0.00 H new ATOM 843 N LEU A 55 0.585 13.935 -17.138 1.00 0.00 N ATOM 844 CA LEU A 55 -0.506 13.573 -18.036 1.00 0.00 C ATOM 845 C LEU A 55 -1.489 14.728 -18.193 1.00 0.00 C ATOM 846 O LEU A 55 -2.099 15.174 -17.222 1.00 0.00 O ATOM 847 CB LEU A 55 -1.236 12.335 -17.510 1.00 0.00 C ATOM 848 CG LEU A 55 -2.445 11.873 -18.324 1.00 0.00 C ATOM 849 CD1 LEU A 55 -2.603 10.363 -18.234 1.00 0.00 C ATOM 850 CD2 LEU A 55 -3.709 12.574 -17.846 1.00 0.00 C ATOM 0 H LEU A 55 0.284 14.335 -16.249 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.079 13.348 -19.014 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.523 11.512 -17.457 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.565 12.538 -16.491 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.280 12.138 -19.368 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.468 10.052 -18.819 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.708 9.880 -18.625 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.746 10.074 -17.193 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.560 12.233 -18.436 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.880 12.340 -16.795 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.594 13.652 -17.964 1.00 0.00 H new ATOM 862 N ASN A 56 -1.638 15.208 -19.424 1.00 0.00 N ATOM 863 CA ASN A 56 -2.549 16.311 -19.709 1.00 0.00 C ATOM 864 C ASN A 56 -3.891 16.101 -19.016 1.00 0.00 C ATOM 865 O ASN A 56 -4.503 15.038 -19.131 1.00 0.00 O ATOM 866 CB ASN A 56 -2.757 16.451 -21.218 1.00 0.00 C ATOM 867 CG ASN A 56 -3.758 17.536 -21.565 1.00 0.00 C ATOM 868 OD1 ASN A 56 -5.027 17.290 -21.258 1.00 0.00 O flip ATOM 869 ND2 ASN A 56 -3.395 18.582 -22.103 1.00 0.00 N flip ATOM 0 H ASN A 56 -1.140 14.851 -20.239 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.102 17.228 -19.324 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.803 16.675 -21.694 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.101 15.500 -21.625 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.409 18.728 -22.321 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.080 19.303 -22.331 1.00 0.00 H new ATOM 876 N LYS A 57 -4.346 17.121 -18.297 1.00 0.00 N ATOM 877 CA LYS A 57 -5.617 17.051 -17.586 1.00 0.00 C ATOM 878 C LYS A 57 -6.295 18.417 -17.547 1.00 0.00 C ATOM 879 O LYS A 57 -5.628 19.451 -17.529 1.00 0.00 O ATOM 880 CB LYS A 57 -5.401 16.537 -16.161 1.00 0.00 C ATOM 881 CG LYS A 57 -6.692 16.228 -15.423 1.00 0.00 C ATOM 882 CD LYS A 57 -7.415 15.041 -16.038 1.00 0.00 C ATOM 883 CE LYS A 57 -8.683 14.703 -15.270 1.00 0.00 C ATOM 884 NZ LYS A 57 -9.454 13.611 -15.926 1.00 0.00 N ATOM 0 H LYS A 57 -3.853 18.007 -18.191 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.266 16.358 -18.121 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.789 15.636 -16.198 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.839 17.281 -15.597 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.473 16.019 -14.376 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.343 17.102 -15.444 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.665 15.263 -17.075 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.753 14.175 -16.048 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.424 14.405 -14.254 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.308 15.592 -15.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.311 13.410 -15.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.723 13.905 -16.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.867 12.754 -15.978 1.00 0.00 H new ATOM 898 N ASP A 58 -7.624 18.413 -17.534 1.00 0.00 N ATOM 899 CA ASP A 58 -8.392 19.652 -17.494 1.00 0.00 C ATOM 900 C ASP A 58 -9.794 19.405 -16.947 1.00 0.00 C ATOM 901 O ASP A 58 -10.229 18.260 -16.824 1.00 0.00 O ATOM 902 CB ASP A 58 -8.478 20.268 -18.891 1.00 0.00 C ATOM 903 CG ASP A 58 -7.325 21.210 -19.181 1.00 0.00 C ATOM 904 OD1 ASP A 58 -6.780 21.792 -18.220 1.00 0.00 O ATOM 905 OD2 ASP A 58 -6.969 21.366 -20.368 1.00 0.00 O ATOM 0 H ASP A 58 -8.191 17.566 -17.551 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.879 20.347 -16.829 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.489 19.472 -19.636 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.419 20.809 -18.989 1.00 0.00 H new ATOM 910 N GLU A 59 -10.495 20.486 -16.619 1.00 0.00 N ATOM 911 CA GLU A 59 -11.847 20.385 -16.082 1.00 0.00 C ATOM 912 C GLU A 59 -11.825 19.870 -14.646 1.00 0.00 C ATOM 913 O GLU A 59 -12.639 19.030 -14.264 1.00 0.00 O ATOM 914 CB GLU A 59 -12.698 19.460 -16.955 1.00 0.00 C ATOM 915 CG GLU A 59 -14.181 19.787 -16.922 1.00 0.00 C ATOM 916 CD GLU A 59 -14.855 19.319 -15.647 1.00 0.00 C ATOM 917 OE1 GLU A 59 -14.797 20.057 -14.641 1.00 0.00 O ATOM 918 OE2 GLU A 59 -15.439 18.215 -15.654 1.00 0.00 O ATOM 0 H GLU A 59 -10.149 21.441 -16.716 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.287 21.382 -16.085 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.344 19.519 -17.984 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.554 18.431 -16.627 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.314 20.864 -17.024 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.670 19.323 -17.778 1.00 0.00 H new ATOM 925 N GLY A 60 -10.887 20.381 -13.854 1.00 0.00 N ATOM 926 CA GLY A 60 -10.775 19.961 -12.469 1.00 0.00 C ATOM 927 C GLY A 60 -10.125 21.014 -11.595 1.00 0.00 C ATOM 928 O GLY A 60 -10.762 21.568 -10.700 1.00 0.00 O ATOM 0 H GLY A 60 -10.203 21.078 -14.147 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.767 19.733 -12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.193 19.041 -12.418 1.00 0.00 H new ATOM 932 N ASN A 61 -8.851 21.291 -11.853 1.00 0.00 N ATOM 933 CA ASN A 61 -8.112 22.283 -11.080 1.00 0.00 C ATOM 934 C ASN A 61 -8.776 23.653 -11.179 1.00 0.00 C ATOM 935 O ASN A 61 -8.730 24.302 -12.223 1.00 0.00 O ATOM 936 CB ASN A 61 -6.666 22.369 -11.571 1.00 0.00 C ATOM 937 CG ASN A 61 -5.993 21.010 -11.629 1.00 0.00 C ATOM 938 OD1 ASN A 61 -6.125 20.333 -12.763 1.00 0.00 O flip ATOM 939 ND2 ASN A 61 -5.363 20.576 -10.665 1.00 0.00 N flip ATOM 0 H ASN A 61 -8.309 20.843 -12.591 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.116 21.970 -10.036 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.648 22.823 -12.562 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.099 23.024 -10.910 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.288 21.132 -9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.916 19.661 -10.718 1.00 0.00 H new ATOM 946 N GLU A 62 -9.393 24.086 -10.084 1.00 0.00 N ATOM 947 CA GLU A 62 -10.067 25.379 -10.048 1.00 0.00 C ATOM 948 C GLU A 62 -9.653 26.173 -8.812 1.00 0.00 C ATOM 949 O GLU A 62 -9.281 27.343 -8.909 1.00 0.00 O ATOM 950 CB GLU A 62 -11.585 25.188 -10.061 1.00 0.00 C ATOM 951 CG GLU A 62 -12.347 26.411 -10.543 1.00 0.00 C ATOM 952 CD GLU A 62 -12.353 27.534 -9.524 1.00 0.00 C ATOM 953 OE1 GLU A 62 -13.024 27.387 -8.481 1.00 0.00 O ATOM 954 OE2 GLU A 62 -11.687 28.561 -9.771 1.00 0.00 O ATOM 0 H GLU A 62 -9.440 23.561 -9.211 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.772 25.940 -10.935 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.831 24.341 -10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.920 24.935 -9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.901 26.770 -11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.374 26.127 -10.772 1.00 0.00 H new ATOM 961 N SER A 63 -9.722 25.530 -7.651 1.00 0.00 N ATOM 962 CA SER A 63 -9.360 26.177 -6.396 1.00 0.00 C ATOM 963 C SER A 63 -8.921 25.146 -5.360 1.00 0.00 C ATOM 964 O SER A 63 -9.512 24.073 -5.246 1.00 0.00 O ATOM 965 CB SER A 63 -10.540 26.988 -5.856 1.00 0.00 C ATOM 966 OG SER A 63 -11.706 26.188 -5.759 1.00 0.00 O ATOM 0 H SER A 63 -10.025 24.561 -7.554 1.00 0.00 H new ATOM 0 HA SER A 63 -8.525 26.850 -6.591 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.289 27.392 -4.875 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.732 27.838 -6.511 1.00 0.00 H new ATOM 0 HG SER A 63 -12.299 26.381 -6.515 1.00 0.00 H new ATOM 972 N GLY A 64 -7.878 25.480 -4.607 1.00 0.00 N ATOM 973 CA GLY A 64 -7.376 24.574 -3.591 1.00 0.00 C ATOM 974 C GLY A 64 -6.199 25.151 -2.829 1.00 0.00 C ATOM 975 O GLY A 64 -6.306 26.216 -2.221 1.00 0.00 O ATOM 0 H GLY A 64 -7.372 26.362 -4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.178 24.338 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.077 23.637 -4.060 1.00 0.00 H new ATOM 979 N LYS A 65 -5.073 24.446 -2.859 1.00 0.00 N ATOM 980 CA LYS A 65 -3.871 24.893 -2.166 1.00 0.00 C ATOM 981 C LYS A 65 -2.699 25.015 -3.134 1.00 0.00 C ATOM 982 O LYS A 65 -1.956 24.057 -3.350 1.00 0.00 O ATOM 983 CB LYS A 65 -3.516 23.922 -1.038 1.00 0.00 C ATOM 984 CG LYS A 65 -2.484 24.468 -0.067 1.00 0.00 C ATOM 985 CD LYS A 65 -1.109 24.557 -0.708 1.00 0.00 C ATOM 986 CE LYS A 65 -0.014 24.695 0.339 1.00 0.00 C ATOM 987 NZ LYS A 65 0.110 26.094 0.832 1.00 0.00 N ATOM 0 H LYS A 65 -4.968 23.562 -3.357 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.072 25.876 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.423 23.671 -0.488 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.139 22.996 -1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.792 25.456 0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.436 23.827 0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.928 23.666 -1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.076 25.411 -1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.228 24.032 1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.937 24.374 -0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.867 26.146 1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.339 26.723 0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.789 26.392 1.261 1.00 0.00 H new ATOM 1001 N LYS A 66 -2.536 26.199 -3.714 1.00 0.00 N ATOM 1002 CA LYS A 66 -1.452 26.448 -4.657 1.00 0.00 C ATOM 1003 C LYS A 66 -0.993 27.901 -4.586 1.00 0.00 C ATOM 1004 O LYS A 66 -1.578 28.715 -3.871 1.00 0.00 O ATOM 1005 CB LYS A 66 -1.900 26.112 -6.081 1.00 0.00 C ATOM 1006 CG LYS A 66 -1.917 24.623 -6.378 1.00 0.00 C ATOM 1007 CD LYS A 66 -2.267 24.348 -7.831 1.00 0.00 C ATOM 1008 CE LYS A 66 -3.734 24.629 -8.114 1.00 0.00 C ATOM 1009 NZ LYS A 66 -3.994 26.083 -8.304 1.00 0.00 N ATOM 0 H LYS A 66 -3.142 27.003 -3.547 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.613 25.807 -4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.898 26.518 -6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.235 26.607 -6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.941 24.195 -6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.641 24.130 -5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.646 24.966 -8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.042 23.309 -8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.042 24.085 -9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.341 24.256 -7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.492 26.458 -7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.091 26.585 -8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.581 26.223 -9.151 1.00 0.00 H new ATOM 1023 N THR A 67 0.059 28.221 -5.334 1.00 0.00 N ATOM 1024 CA THR A 67 0.597 29.575 -5.357 1.00 0.00 C ATOM 1025 C THR A 67 -0.516 30.611 -5.241 1.00 0.00 C ATOM 1026 O THR A 67 -0.530 31.421 -4.314 1.00 0.00 O ATOM 1027 CB THR A 67 1.397 29.841 -6.646 1.00 0.00 C ATOM 1028 OG1 THR A 67 2.349 28.792 -6.856 1.00 0.00 O ATOM 1029 CG2 THR A 67 2.117 31.179 -6.571 1.00 0.00 C ATOM 0 H THR A 67 0.555 27.560 -5.932 1.00 0.00 H new ATOM 0 HA THR A 67 1.264 29.664 -4.500 1.00 0.00 H new ATOM 0 HB THR A 67 0.698 29.870 -7.482 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.853 28.967 -7.678 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.675 31.344 -7.493 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.387 31.978 -6.440 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.806 31.175 -5.726 1.00 0.00 H new ATOM 1037 N SER A 68 -1.449 30.579 -6.188 1.00 0.00 N ATOM 1038 CA SER A 68 -2.565 31.517 -6.193 1.00 0.00 C ATOM 1039 C SER A 68 -3.784 30.916 -5.500 1.00 0.00 C ATOM 1040 O SER A 68 -3.784 29.744 -5.126 1.00 0.00 O ATOM 1041 CB SER A 68 -2.922 31.910 -7.628 1.00 0.00 C ATOM 1042 OG SER A 68 -3.700 33.094 -7.654 1.00 0.00 O ATOM 0 H SER A 68 -1.454 29.914 -6.961 1.00 0.00 H new ATOM 0 HA SER A 68 -2.260 32.408 -5.645 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.010 32.058 -8.206 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.473 31.099 -8.104 1.00 0.00 H new ATOM 0 HG SER A 68 -3.913 33.325 -8.582 1.00 0.00 H new ATOM 1048 N GLY A 69 -4.823 31.729 -5.332 1.00 0.00 N ATOM 1049 CA GLY A 69 -6.034 31.260 -4.685 1.00 0.00 C ATOM 1050 C GLY A 69 -7.061 32.361 -4.510 1.00 0.00 C ATOM 1051 O GLY A 69 -7.134 33.013 -3.468 1.00 0.00 O ATOM 0 H GLY A 69 -4.847 32.703 -5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.468 30.453 -5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.783 30.843 -3.710 1.00 0.00 H new ATOM 1055 N PRO A 70 -7.878 32.584 -5.551 1.00 0.00 N ATOM 1056 CA PRO A 70 -8.920 33.615 -5.533 1.00 0.00 C ATOM 1057 C PRO A 70 -10.062 33.268 -4.584 1.00 0.00 C ATOM 1058 O PRO A 70 -10.020 32.251 -3.892 1.00 0.00 O ATOM 1059 CB PRO A 70 -9.417 33.643 -6.980 1.00 0.00 C ATOM 1060 CG PRO A 70 -9.111 32.285 -7.512 1.00 0.00 C ATOM 1061 CD PRO A 70 -7.848 31.846 -6.825 1.00 0.00 C ATOM 0 HA PRO A 70 -8.539 34.573 -5.181 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.485 33.855 -7.028 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.912 34.417 -7.557 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.928 31.593 -7.307 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.978 32.310 -8.594 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.832 30.768 -6.665 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.964 32.094 -7.412 1.00 0.00 H new ATOM 1069 N SER A 71 -11.083 34.119 -4.557 1.00 0.00 N ATOM 1070 CA SER A 71 -12.236 33.904 -3.691 1.00 0.00 C ATOM 1071 C SER A 71 -11.793 33.480 -2.294 1.00 0.00 C ATOM 1072 O SER A 71 -12.408 32.614 -1.672 1.00 0.00 O ATOM 1073 CB SER A 71 -13.159 32.842 -4.290 1.00 0.00 C ATOM 1074 OG SER A 71 -12.588 31.549 -4.181 1.00 0.00 O ATOM 0 H SER A 71 -11.135 34.964 -5.125 1.00 0.00 H new ATOM 0 HA SER A 71 -12.781 34.845 -3.611 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.121 32.862 -3.779 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.350 33.071 -5.338 1.00 0.00 H new ATOM 0 HG SER A 71 -11.628 31.629 -4.004 1.00 0.00 H new ATOM 1080 N SER A 72 -10.722 34.097 -1.806 1.00 0.00 N ATOM 1081 CA SER A 72 -10.193 33.782 -0.484 1.00 0.00 C ATOM 1082 C SER A 72 -11.275 33.926 0.582 1.00 0.00 C ATOM 1083 O SER A 72 -12.171 34.761 0.465 1.00 0.00 O ATOM 1084 CB SER A 72 -9.011 34.696 -0.153 1.00 0.00 C ATOM 1085 OG SER A 72 -8.543 34.467 1.165 1.00 0.00 O ATOM 0 H SER A 72 -10.203 34.819 -2.307 1.00 0.00 H new ATOM 0 HA SER A 72 -9.851 32.747 -0.494 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.203 34.523 -0.864 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.312 35.738 -0.259 1.00 0.00 H new ATOM 0 HG SER A 72 -7.787 35.062 1.352 1.00 0.00 H new ATOM 1091 N GLY A 73 -11.185 33.103 1.623 1.00 0.00 N ATOM 1092 CA GLY A 73 -12.161 33.153 2.695 1.00 0.00 C ATOM 1093 C GLY A 73 -11.555 33.597 4.011 1.00 0.00 C ATOM 1094 O GLY A 73 -11.789 32.946 5.028 1.00 0.00 O ATOM 0 H GLY A 73 -10.453 32.403 1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.964 33.837 2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.610 32.168 2.820 1.00 0.00 H new TER 1098 GLY A 73 HETATM 1099 ZN ZN A 201 0.818 -0.518 -6.023 1.00 0.00 ZN