USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 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 Set 1.1: A 26 CYS SG : rot -140:sc= 0.116 USER MOD Set 1.2: A 28 HIS : no HE2:sc= -1.22 K(o=0.86,f=-0.015) USER MOD Set 1.3: A 30 TYR OH : rot 0:sc= 0.00922 USER MOD Set 1.4: A 51 CYS SG : rot -46:sc= 1.53 USER MOD Set 1.5: A 56 CYS SG : rot -160:sc= 0.415 USER MOD Set 2.1: A 10 CYS SG : rot 52:sc= -0.678 USER MOD Set 2.2: A 13 THR OG1 : rot 170:sc= -0.644 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= -0.179 (180deg=-0.179) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -5.29! C(o=-5.3!,f=-12!) USER MOD Single : A 24 LYS NZ :NH3+ 154:sc= -0.469 (180deg=-1.47) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 152:sc= -0.148 (180deg=-0.898) USER MOD Single : A 41 SER OG : rot 75:sc= 1.22 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000921) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.786 X(o=-0.79,f=-0.97) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -2.48 K(o=-2.5,f=-5.3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 1.003 9.562 8.661 1.00 0.00 N ATOM 67 CA PHE A 8 0.343 8.262 8.636 1.00 0.00 C ATOM 68 C PHE A 8 1.321 7.149 9.002 1.00 0.00 C ATOM 69 O PHE A 8 2.292 6.899 8.287 1.00 0.00 O ATOM 70 CB PHE A 8 -0.255 7.996 7.253 1.00 0.00 C ATOM 71 CG PHE A 8 -1.473 8.824 6.958 1.00 0.00 C ATOM 72 CD1 PHE A 8 -2.718 8.442 7.433 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.373 9.983 6.207 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.840 9.202 7.162 1.00 0.00 C ATOM 75 CE2 PHE A 8 -2.492 10.747 5.933 1.00 0.00 C ATOM 76 CZ PHE A 8 -3.727 10.357 6.412 1.00 0.00 C ATOM 0 HA PHE A 8 -0.459 8.275 9.374 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.502 8.194 6.494 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.515 6.940 7.175 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.812 7.541 8.021 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.409 10.294 5.831 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.805 8.893 7.536 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.400 11.648 5.345 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.602 10.953 6.201 1.00 0.00 H new ATOM 86 N THR A 9 1.058 6.482 10.122 1.00 0.00 N ATOM 87 CA THR A 9 1.914 5.398 10.585 1.00 0.00 C ATOM 88 C THR A 9 1.125 4.103 10.740 1.00 0.00 C ATOM 89 O THR A 9 0.001 4.106 11.243 1.00 0.00 O ATOM 90 CB THR A 9 2.581 5.743 11.930 1.00 0.00 C ATOM 91 OG1 THR A 9 1.917 6.859 12.534 1.00 0.00 O ATOM 92 CG2 THR A 9 4.055 6.068 11.736 1.00 0.00 C ATOM 0 H THR A 9 0.258 6.674 10.725 1.00 0.00 H new ATOM 0 HA THR A 9 2.687 5.262 9.829 1.00 0.00 H new ATOM 0 HB THR A 9 2.500 4.875 12.584 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.346 7.071 13.389 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.504 6.308 12.699 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.564 5.207 11.303 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.154 6.922 11.066 1.00 0.00 H new ATOM 100 N CYS A 10 1.721 2.997 10.307 1.00 0.00 N ATOM 101 CA CYS A 10 1.073 1.694 10.398 1.00 0.00 C ATOM 102 C CYS A 10 1.237 1.101 11.794 1.00 0.00 C ATOM 103 O CYS A 10 2.336 1.045 12.346 1.00 0.00 O ATOM 104 CB CYS A 10 1.654 0.738 9.354 1.00 0.00 C ATOM 105 SG CYS A 10 0.665 -0.751 9.085 1.00 0.00 S ATOM 0 H CYS A 10 2.652 2.977 9.890 1.00 0.00 H new ATOM 0 HA CYS A 10 0.009 1.831 10.203 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.756 1.269 8.408 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.657 0.444 9.664 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.568 -0.416 8.844 1.00 0.00 H new ATOM 111 N PRO A 11 0.118 0.650 12.380 1.00 0.00 N ATOM 112 CA PRO A 11 0.111 0.055 13.720 1.00 0.00 C ATOM 113 C PRO A 11 0.795 -1.308 13.753 1.00 0.00 C ATOM 114 O PRO A 11 1.018 -1.875 14.823 1.00 0.00 O ATOM 115 CB PRO A 11 -1.380 -0.087 14.037 1.00 0.00 C ATOM 116 CG PRO A 11 -2.044 -0.173 12.706 1.00 0.00 C ATOM 117 CD PRO A 11 -1.226 0.685 11.780 1.00 0.00 C ATOM 0 HA PRO A 11 0.658 0.665 14.439 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.575 -0.978 14.635 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.746 0.766 14.608 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.080 -1.204 12.353 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.073 0.182 12.760 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.223 0.290 10.764 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.615 1.702 11.725 1.00 0.00 H new ATOM 125 N ILE A 12 1.126 -1.827 12.575 1.00 0.00 N ATOM 126 CA ILE A 12 1.786 -3.122 12.470 1.00 0.00 C ATOM 127 C ILE A 12 3.289 -2.958 12.271 1.00 0.00 C ATOM 128 O ILE A 12 4.084 -3.286 13.153 1.00 0.00 O ATOM 129 CB ILE A 12 1.213 -3.954 11.308 1.00 0.00 C ATOM 130 CG1 ILE A 12 -0.292 -4.160 11.494 1.00 0.00 C ATOM 131 CG2 ILE A 12 1.929 -5.293 11.211 1.00 0.00 C ATOM 132 CD1 ILE A 12 -0.987 -4.681 10.255 1.00 0.00 C ATOM 0 H ILE A 12 0.948 -1.370 11.680 1.00 0.00 H new ATOM 0 HA ILE A 12 1.601 -3.647 13.407 1.00 0.00 H new ATOM 0 HB ILE A 12 1.374 -3.411 10.377 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.457 -4.859 12.314 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.747 -3.213 11.785 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.512 -5.869 10.385 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.992 -5.125 11.037 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.796 -5.845 12.142 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.051 -4.803 10.459 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.853 -3.972 9.438 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.558 -5.643 9.975 1.00 0.00 H new ATOM 144 N THR A 13 3.674 -2.448 11.105 1.00 0.00 N ATOM 145 CA THR A 13 5.081 -2.239 10.789 1.00 0.00 C ATOM 146 C THR A 13 5.674 -1.118 11.634 1.00 0.00 C ATOM 147 O THR A 13 6.892 -1.019 11.788 1.00 0.00 O ATOM 148 CB THR A 13 5.279 -1.903 9.299 1.00 0.00 C ATOM 149 OG1 THR A 13 4.286 -0.962 8.874 1.00 0.00 O ATOM 150 CG2 THR A 13 5.193 -3.158 8.445 1.00 0.00 C ATOM 0 H THR A 13 3.030 -2.172 10.364 1.00 0.00 H new ATOM 0 HA THR A 13 5.597 -3.172 11.015 1.00 0.00 H new ATOM 0 HB THR A 13 6.270 -1.467 9.176 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.511 -0.631 7.979 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.336 -2.895 7.397 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.968 -3.861 8.752 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.214 -3.619 8.573 1.00 0.00 H new ATOM 158 N LYS A 14 4.807 -0.274 12.182 1.00 0.00 N ATOM 159 CA LYS A 14 5.244 0.841 13.014 1.00 0.00 C ATOM 160 C LYS A 14 6.083 1.826 12.208 1.00 0.00 C ATOM 161 O LYS A 14 7.058 2.383 12.712 1.00 0.00 O ATOM 162 CB LYS A 14 6.050 0.326 14.209 1.00 0.00 C ATOM 163 CG LYS A 14 5.372 -0.810 14.956 1.00 0.00 C ATOM 164 CD LYS A 14 4.023 -0.385 15.513 1.00 0.00 C ATOM 165 CE LYS A 14 4.024 -0.381 17.034 1.00 0.00 C ATOM 166 NZ LYS A 14 4.488 0.923 17.584 1.00 0.00 N ATOM 0 H LYS A 14 3.796 -0.341 12.065 1.00 0.00 H new ATOM 0 HA LYS A 14 4.357 1.360 13.377 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.026 -0.011 13.860 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.226 1.150 14.900 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.239 -1.659 14.286 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.014 -1.145 15.771 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.774 0.611 15.146 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.249 -1.061 15.150 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.019 -0.592 17.399 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.670 -1.180 17.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.475 0.886 18.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.457 1.113 17.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.857 1.682 17.256 1.00 0.00 H new ATOM 180 N GLU A 15 5.698 2.036 10.953 1.00 0.00 N ATOM 181 CA GLU A 15 6.417 2.955 10.078 1.00 0.00 C ATOM 182 C GLU A 15 5.448 3.726 9.185 1.00 0.00 C ATOM 183 O GLU A 15 4.235 3.535 9.259 1.00 0.00 O ATOM 184 CB GLU A 15 7.424 2.191 9.216 1.00 0.00 C ATOM 185 CG GLU A 15 8.244 1.176 9.994 1.00 0.00 C ATOM 186 CD GLU A 15 9.631 0.979 9.412 1.00 0.00 C ATOM 187 OE1 GLU A 15 9.770 1.042 8.173 1.00 0.00 O ATOM 188 OE2 GLU A 15 10.577 0.761 10.198 1.00 0.00 O ATOM 0 H GLU A 15 4.893 1.583 10.520 1.00 0.00 H new ATOM 0 HA GLU A 15 6.953 3.668 10.704 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.890 1.678 8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.099 2.904 8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.332 1.502 11.030 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.719 0.221 10.004 1.00 0.00 H new ATOM 195 N GLU A 16 5.994 4.597 8.343 1.00 0.00 N ATOM 196 CA GLU A 16 5.178 5.398 7.438 1.00 0.00 C ATOM 197 C GLU A 16 4.405 4.507 6.471 1.00 0.00 C ATOM 198 O GLU A 16 4.864 3.425 6.104 1.00 0.00 O ATOM 199 CB GLU A 16 6.056 6.377 6.655 1.00 0.00 C ATOM 200 CG GLU A 16 5.305 7.597 6.149 1.00 0.00 C ATOM 201 CD GLU A 16 6.207 8.802 5.963 1.00 0.00 C ATOM 202 OE1 GLU A 16 7.229 8.676 5.256 1.00 0.00 O ATOM 203 OE2 GLU A 16 5.891 9.871 6.526 1.00 0.00 O ATOM 0 H GLU A 16 6.997 4.766 8.268 1.00 0.00 H new ATOM 0 HA GLU A 16 4.463 5.962 8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.877 6.705 7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.499 5.856 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.826 7.356 5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.511 7.848 6.852 1.00 0.00 H new ATOM 210 N MET A 17 3.228 4.969 6.062 1.00 0.00 N ATOM 211 CA MET A 17 2.390 4.214 5.137 1.00 0.00 C ATOM 212 C MET A 17 2.403 4.849 3.750 1.00 0.00 C ATOM 213 O MET A 17 2.310 6.069 3.613 1.00 0.00 O ATOM 214 CB MET A 17 0.955 4.137 5.662 1.00 0.00 C ATOM 215 CG MET A 17 0.856 3.615 7.086 1.00 0.00 C ATOM 216 SD MET A 17 -0.745 2.867 7.442 1.00 0.00 S ATOM 217 CE MET A 17 -1.843 4.242 7.106 1.00 0.00 C ATOM 0 H MET A 17 2.833 5.862 6.356 1.00 0.00 H new ATOM 0 HA MET A 17 2.795 3.205 5.059 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.506 5.129 5.615 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.371 3.492 5.006 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.642 2.879 7.254 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.033 4.435 7.782 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.874 3.935 7.281 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.595 5.075 7.764 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.729 4.554 6.068 1.00 0.00 H new ATOM 227 N LYS A 18 2.519 4.014 2.723 1.00 0.00 N ATOM 228 CA LYS A 18 2.543 4.493 1.346 1.00 0.00 C ATOM 229 C LYS A 18 1.332 3.984 0.572 1.00 0.00 C ATOM 230 O LYS A 18 0.838 4.650 -0.339 1.00 0.00 O ATOM 231 CB LYS A 18 3.831 4.045 0.651 1.00 0.00 C ATOM 232 CG LYS A 18 5.094 4.453 1.390 1.00 0.00 C ATOM 233 CD LYS A 18 5.467 5.897 1.101 1.00 0.00 C ATOM 234 CE LYS A 18 6.905 6.016 0.620 1.00 0.00 C ATOM 235 NZ LYS A 18 7.874 5.970 1.750 1.00 0.00 N ATOM 0 H LYS A 18 2.598 3.002 2.818 1.00 0.00 H new ATOM 0 HA LYS A 18 2.508 5.582 1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.817 2.960 0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.857 4.465 -0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.948 4.322 2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.915 3.799 1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.795 6.303 0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.333 6.496 2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.122 5.207 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.029 6.951 0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.842 6.054 1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.683 6.756 2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.774 5.067 2.257 1.00 0.00 H new ATOM 249 N LYS A 19 0.855 2.799 0.939 1.00 0.00 N ATOM 250 CA LYS A 19 -0.300 2.201 0.282 1.00 0.00 C ATOM 251 C LYS A 19 -1.391 1.869 1.295 1.00 0.00 C ATOM 252 O LYS A 19 -1.509 0.739 1.768 1.00 0.00 O ATOM 253 CB LYS A 19 0.114 0.934 -0.470 1.00 0.00 C ATOM 254 CG LYS A 19 0.758 1.210 -1.818 1.00 0.00 C ATOM 255 CD LYS A 19 2.221 0.802 -1.831 1.00 0.00 C ATOM 256 CE LYS A 19 2.386 -0.669 -2.180 1.00 0.00 C ATOM 257 NZ LYS A 19 3.619 -0.915 -2.979 1.00 0.00 N ATOM 0 H LYS A 19 1.252 2.234 1.689 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.697 2.925 -0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.811 0.367 0.147 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.765 0.306 -0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.221 0.668 -2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.673 2.271 -2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.763 1.412 -2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.663 0.997 -0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.424 -1.258 -1.263 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.516 -1.009 -2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.695 -1.929 -3.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.572 -0.373 -3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.452 -0.614 -2.433 1.00 0.00 H new ATOM 271 N PRO A 20 -2.210 2.875 1.635 1.00 0.00 N ATOM 272 CA PRO A 20 -3.308 2.714 2.593 1.00 0.00 C ATOM 273 C PRO A 20 -4.437 1.851 2.041 1.00 0.00 C ATOM 274 O PRO A 20 -4.990 2.140 0.980 1.00 0.00 O ATOM 275 CB PRO A 20 -3.792 4.147 2.823 1.00 0.00 C ATOM 276 CG PRO A 20 -3.408 4.880 1.584 1.00 0.00 C ATOM 277 CD PRO A 20 -2.128 4.249 1.110 1.00 0.00 C ATOM 0 HA PRO A 20 -2.984 2.209 3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.869 4.180 2.985 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.324 4.586 3.704 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.187 4.800 0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.268 5.942 1.786 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.053 4.260 0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.254 4.775 1.495 1.00 0.00 H new ATOM 285 N VAL A 21 -4.776 0.791 2.768 1.00 0.00 N ATOM 286 CA VAL A 21 -5.842 -0.113 2.351 1.00 0.00 C ATOM 287 C VAL A 21 -6.972 -0.138 3.374 1.00 0.00 C ATOM 288 O VAL A 21 -6.752 -0.416 4.553 1.00 0.00 O ATOM 289 CB VAL A 21 -5.315 -1.546 2.148 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.381 -1.607 0.949 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.614 -2.038 3.406 1.00 0.00 C ATOM 0 H VAL A 21 -4.328 0.537 3.648 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.224 0.263 1.402 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.163 -2.202 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.019 -2.627 0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.919 -1.298 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.535 -0.939 1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.248 -3.052 3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.775 -1.381 3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.317 -2.034 4.239 1.00 0.00 H new ATOM 301 N LYS A 22 -8.184 0.153 2.915 1.00 0.00 N ATOM 302 CA LYS A 22 -9.352 0.162 3.788 1.00 0.00 C ATOM 303 C LYS A 22 -10.092 -1.170 3.721 1.00 0.00 C ATOM 304 O LYS A 22 -10.188 -1.784 2.660 1.00 0.00 O ATOM 305 CB LYS A 22 -10.296 1.302 3.399 1.00 0.00 C ATOM 306 CG LYS A 22 -11.342 1.612 4.456 1.00 0.00 C ATOM 307 CD LYS A 22 -12.593 2.218 3.841 1.00 0.00 C ATOM 308 CE LYS A 22 -13.368 1.192 3.029 1.00 0.00 C ATOM 309 NZ LYS A 22 -14.676 1.728 2.561 1.00 0.00 N ATOM 0 H LYS A 22 -8.383 0.386 1.942 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.009 0.316 4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.708 2.200 3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.799 1.044 2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.604 0.698 4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.926 2.302 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.231 2.617 4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.316 3.056 3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.773 0.885 2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.536 0.302 3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.174 0.999 2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.254 1.998 3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.515 2.563 1.962 1.00 0.00 H new ATOM 323 N ASN A 23 -10.614 -1.610 4.862 1.00 0.00 N ATOM 324 CA ASN A 23 -11.346 -2.869 4.932 1.00 0.00 C ATOM 325 C ASN A 23 -12.834 -2.648 4.672 1.00 0.00 C ATOM 326 O ASN A 23 -13.368 -1.571 4.937 1.00 0.00 O ATOM 327 CB ASN A 23 -11.147 -3.523 6.300 1.00 0.00 C ATOM 328 CG ASN A 23 -11.245 -5.035 6.238 1.00 0.00 C ATOM 329 OD1 ASN A 23 -11.977 -5.588 5.417 1.00 0.00 O ATOM 330 ND2 ASN A 23 -10.506 -5.712 7.109 1.00 0.00 N ATOM 0 H ASN A 23 -10.543 -1.113 5.750 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.955 -3.532 4.160 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.171 -3.241 6.696 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.895 -3.141 6.994 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.531 -6.732 7.115 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.913 -5.212 7.772 1.00 0.00 H new ATOM 337 N LYS A 24 -13.497 -3.676 4.153 1.00 0.00 N ATOM 338 CA LYS A 24 -14.923 -3.597 3.859 1.00 0.00 C ATOM 339 C LYS A 24 -15.752 -4.000 5.075 1.00 0.00 C ATOM 340 O LYS A 24 -16.907 -3.597 5.212 1.00 0.00 O ATOM 341 CB LYS A 24 -15.270 -4.496 2.671 1.00 0.00 C ATOM 342 CG LYS A 24 -14.298 -4.373 1.510 1.00 0.00 C ATOM 343 CD LYS A 24 -15.027 -4.196 0.189 1.00 0.00 C ATOM 344 CE LYS A 24 -15.720 -5.480 -0.242 1.00 0.00 C ATOM 345 NZ LYS A 24 -17.076 -5.608 0.360 1.00 0.00 N ATOM 0 H LYS A 24 -13.069 -4.574 3.927 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.160 -2.564 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.294 -5.533 3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.273 -4.251 2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.635 -3.524 1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.670 -5.263 1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.763 -3.398 0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.319 -3.888 -0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.802 -5.501 -1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.111 -6.336 0.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.672 -6.204 -0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.998 -6.044 1.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.506 -4.666 0.450 1.00 0.00 H new ATOM 359 N VAL A 25 -15.154 -4.796 5.956 1.00 0.00 N ATOM 360 CA VAL A 25 -15.837 -5.251 7.161 1.00 0.00 C ATOM 361 C VAL A 25 -15.838 -4.168 8.234 1.00 0.00 C ATOM 362 O VAL A 25 -16.889 -3.639 8.596 1.00 0.00 O ATOM 363 CB VAL A 25 -15.181 -6.523 7.731 1.00 0.00 C ATOM 364 CG1 VAL A 25 -16.020 -7.094 8.864 1.00 0.00 C ATOM 365 CG2 VAL A 25 -14.980 -7.556 6.633 1.00 0.00 C ATOM 0 H VAL A 25 -14.198 -5.139 5.858 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.865 -5.477 6.877 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.203 -6.258 8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.541 -7.992 9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -16.108 -6.355 9.660 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.013 -7.345 8.491 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.516 -8.448 7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.945 -7.819 6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.335 -7.142 5.858 1.00 0.00 H new ATOM 375 N CYS A 26 -14.653 -3.843 8.739 1.00 0.00 N ATOM 376 CA CYS A 26 -14.515 -2.823 9.772 1.00 0.00 C ATOM 377 C CYS A 26 -14.486 -1.427 9.156 1.00 0.00 C ATOM 378 O CYS A 26 -15.402 -0.630 9.353 1.00 0.00 O ATOM 379 CB CYS A 26 -13.242 -3.060 10.586 1.00 0.00 C ATOM 380 SG CYS A 26 -12.865 -1.737 11.780 1.00 0.00 S ATOM 0 H CYS A 26 -13.774 -4.271 8.450 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.378 -2.892 10.434 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.338 -4.003 11.124 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.401 -3.167 9.901 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.585 -1.509 11.786 1.00 0.00 H new ATOM 385 N GLY A 27 -13.424 -1.137 8.409 1.00 0.00 N ATOM 386 CA GLY A 27 -13.295 0.162 7.776 1.00 0.00 C ATOM 387 C GLY A 27 -11.943 0.799 8.031 1.00 0.00 C ATOM 388 O GLY A 27 -11.556 1.747 7.347 1.00 0.00 O ATOM 0 H GLY A 27 -12.651 -1.779 8.231 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.447 0.056 6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.080 0.822 8.145 1.00 0.00 H new ATOM 392 N HIS A 28 -11.223 0.279 9.020 1.00 0.00 N ATOM 393 CA HIS A 28 -9.906 0.804 9.365 1.00 0.00 C ATOM 394 C HIS A 28 -8.994 0.828 8.142 1.00 0.00 C ATOM 395 O HIS A 28 -9.356 0.335 7.073 1.00 0.00 O ATOM 396 CB HIS A 28 -9.272 -0.037 10.472 1.00 0.00 C ATOM 397 CG HIS A 28 -9.552 0.477 11.851 1.00 0.00 C ATOM 398 ND1 HIS A 28 -9.860 -0.346 12.913 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.568 1.740 12.338 1.00 0.00 C ATOM 400 CE1 HIS A 28 -10.055 0.388 13.994 1.00 0.00 C ATOM 401 NE2 HIS A 28 -9.883 1.658 13.672 1.00 0.00 N ATOM 0 H HIS A 28 -11.529 -0.505 9.596 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.032 1.826 9.723 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.638 -1.061 10.394 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.193 -0.071 10.318 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -9.927 -1.363 12.871 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.370 2.644 11.781 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.311 0.014 14.974 1.00 0.00 H new ATOM 409 N THR A 29 -7.807 1.405 8.306 1.00 0.00 N ATOM 410 CA THR A 29 -6.844 1.495 7.216 1.00 0.00 C ATOM 411 C THR A 29 -5.466 1.017 7.659 1.00 0.00 C ATOM 412 O THR A 29 -5.024 1.311 8.771 1.00 0.00 O ATOM 413 CB THR A 29 -6.729 2.936 6.685 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.575 3.807 7.444 1.00 0.00 O ATOM 415 CG2 THR A 29 -7.113 3.003 5.214 1.00 0.00 C ATOM 0 H THR A 29 -7.490 1.817 9.184 1.00 0.00 H new ATOM 0 HA THR A 29 -7.210 0.850 6.417 1.00 0.00 H new ATOM 0 HB THR A 29 -5.692 3.256 6.789 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.495 4.722 7.101 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.024 4.030 4.861 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.449 2.362 4.635 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.142 2.665 5.091 1.00 0.00 H new ATOM 423 N TYR A 30 -4.790 0.281 6.784 1.00 0.00 N ATOM 424 CA TYR A 30 -3.462 -0.238 7.087 1.00 0.00 C ATOM 425 C TYR A 30 -2.560 -0.179 5.857 1.00 0.00 C ATOM 426 O TYR A 30 -2.993 0.220 4.776 1.00 0.00 O ATOM 427 CB TYR A 30 -3.557 -1.678 7.593 1.00 0.00 C ATOM 428 CG TYR A 30 -4.754 -1.929 8.483 1.00 0.00 C ATOM 429 CD1 TYR A 30 -4.811 -1.403 9.768 1.00 0.00 C ATOM 430 CD2 TYR A 30 -5.827 -2.692 8.039 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.902 -1.630 10.585 1.00 0.00 C ATOM 432 CE2 TYR A 30 -6.922 -2.923 8.849 1.00 0.00 C ATOM 433 CZ TYR A 30 -6.955 -2.390 10.120 1.00 0.00 C ATOM 434 OH TYR A 30 -8.044 -2.619 10.930 1.00 0.00 O ATOM 0 H TYR A 30 -5.140 0.030 5.859 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.026 0.386 7.867 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.603 -2.353 6.738 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.648 -1.922 8.143 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.989 -0.807 10.134 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.805 -3.111 7.044 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.930 -1.215 11.582 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.748 -3.518 8.488 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.909 -2.175 11.793 1.00 0.00 H new ATOM 444 N GLU A 31 -1.305 -0.579 6.032 1.00 0.00 N ATOM 445 CA GLU A 31 -0.342 -0.571 4.937 1.00 0.00 C ATOM 446 C GLU A 31 -0.435 -1.857 4.121 1.00 0.00 C ATOM 447 O GLU A 31 -0.710 -2.928 4.662 1.00 0.00 O ATOM 448 CB GLU A 31 1.079 -0.399 5.479 1.00 0.00 C ATOM 449 CG GLU A 31 2.160 -0.634 4.437 1.00 0.00 C ATOM 450 CD GLU A 31 3.416 0.172 4.709 1.00 0.00 C ATOM 451 OE1 GLU A 31 3.848 0.221 5.879 1.00 0.00 O ATOM 452 OE2 GLU A 31 3.966 0.754 3.751 1.00 0.00 O ATOM 0 H GLU A 31 -0.931 -0.912 6.921 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.579 0.270 4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.186 0.609 5.881 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.229 -1.090 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.411 -1.694 4.412 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.772 -0.375 3.452 1.00 0.00 H new ATOM 459 N GLU A 32 -0.204 -1.742 2.817 1.00 0.00 N ATOM 460 CA GLU A 32 -0.263 -2.895 1.927 1.00 0.00 C ATOM 461 C GLU A 32 0.650 -4.013 2.423 1.00 0.00 C ATOM 462 O GLU A 32 0.181 -5.069 2.849 1.00 0.00 O ATOM 463 CB GLU A 32 0.133 -2.491 0.505 1.00 0.00 C ATOM 464 CG GLU A 32 -0.348 -3.462 -0.560 1.00 0.00 C ATOM 465 CD GLU A 32 -0.119 -2.945 -1.967 1.00 0.00 C ATOM 466 OE1 GLU A 32 -0.661 -1.869 -2.298 1.00 0.00 O ATOM 467 OE2 GLU A 32 0.600 -3.615 -2.737 1.00 0.00 O ATOM 0 H GLU A 32 0.026 -0.863 2.354 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.289 -3.264 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.271 -1.501 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.219 -2.411 0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.169 -4.414 -0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.411 -3.655 -0.417 1.00 0.00 H new ATOM 474 N ASP A 33 1.955 -3.773 2.363 1.00 0.00 N ATOM 475 CA ASP A 33 2.934 -4.758 2.805 1.00 0.00 C ATOM 476 C ASP A 33 2.598 -5.269 4.203 1.00 0.00 C ATOM 477 O ASP A 33 2.895 -6.413 4.545 1.00 0.00 O ATOM 478 CB ASP A 33 4.339 -4.153 2.794 1.00 0.00 C ATOM 479 CG ASP A 33 4.681 -3.509 1.465 1.00 0.00 C ATOM 480 OD1 ASP A 33 4.279 -4.059 0.419 1.00 0.00 O ATOM 481 OD2 ASP A 33 5.352 -2.455 1.471 1.00 0.00 O ATOM 0 H ASP A 33 2.359 -2.905 2.012 1.00 0.00 H new ATOM 0 HA ASP A 33 2.904 -5.600 2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.417 -3.408 3.586 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.069 -4.932 3.016 1.00 0.00 H new ATOM 486 N ALA A 34 1.978 -4.411 5.007 1.00 0.00 N ATOM 487 CA ALA A 34 1.601 -4.775 6.368 1.00 0.00 C ATOM 488 C ALA A 34 0.484 -5.813 6.368 1.00 0.00 C ATOM 489 O ALA A 34 0.661 -6.929 6.856 1.00 0.00 O ATOM 490 CB ALA A 34 1.177 -3.539 7.146 1.00 0.00 C ATOM 0 H ALA A 34 1.726 -3.459 4.740 1.00 0.00 H new ATOM 0 HA ALA A 34 2.471 -5.216 6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.898 -3.825 8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.005 -2.831 7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.324 -3.074 6.653 1.00 0.00 H new ATOM 496 N ILE A 35 -0.667 -5.437 5.820 1.00 0.00 N ATOM 497 CA ILE A 35 -1.813 -6.335 5.758 1.00 0.00 C ATOM 498 C ILE A 35 -1.505 -7.559 4.901 1.00 0.00 C ATOM 499 O ILE A 35 -2.163 -8.593 5.018 1.00 0.00 O ATOM 500 CB ILE A 35 -3.056 -5.625 5.191 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.296 -6.503 5.366 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.846 -5.280 3.724 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.624 -6.805 6.811 1.00 0.00 C ATOM 0 H ILE A 35 -0.830 -4.516 5.413 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.021 -6.652 6.780 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.210 -4.698 5.743 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.150 -6.008 4.904 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.145 -7.441 4.832 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.733 -4.779 3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.984 -4.620 3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.670 -6.194 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.515 -7.432 6.859 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.787 -7.329 7.272 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.807 -5.873 7.345 1.00 0.00 H new ATOM 515 N VAL A 36 -0.501 -7.434 4.040 1.00 0.00 N ATOM 516 CA VAL A 36 -0.103 -8.531 3.165 1.00 0.00 C ATOM 517 C VAL A 36 0.859 -9.478 3.873 1.00 0.00 C ATOM 518 O VAL A 36 0.783 -10.695 3.706 1.00 0.00 O ATOM 519 CB VAL A 36 0.561 -8.009 1.877 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.150 -9.160 1.075 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.440 -7.224 1.042 1.00 0.00 C ATOM 0 H VAL A 36 0.052 -6.584 3.929 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.012 -9.072 2.902 1.00 0.00 H new ATOM 0 HB VAL A 36 1.374 -7.338 2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.615 -8.772 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.900 -9.675 1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.358 -9.859 0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.046 -6.863 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.275 -7.870 0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.809 -6.376 1.619 1.00 0.00 H new ATOM 531 N ARG A 37 1.765 -8.910 4.663 1.00 0.00 N ATOM 532 CA ARG A 37 2.744 -9.704 5.396 1.00 0.00 C ATOM 533 C ARG A 37 2.131 -10.283 6.668 1.00 0.00 C ATOM 534 O ARG A 37 2.590 -11.304 7.180 1.00 0.00 O ATOM 535 CB ARG A 37 3.964 -8.850 5.747 1.00 0.00 C ATOM 536 CG ARG A 37 3.734 -7.915 6.923 1.00 0.00 C ATOM 537 CD ARG A 37 4.977 -7.095 7.234 1.00 0.00 C ATOM 538 NE ARG A 37 5.532 -7.419 8.545 1.00 0.00 N ATOM 539 CZ ARG A 37 6.598 -6.816 9.061 1.00 0.00 C ATOM 540 NH1 ARG A 37 7.219 -5.863 8.380 1.00 0.00 N ATOM 541 NH2 ARG A 37 7.043 -7.166 10.261 1.00 0.00 N ATOM 0 H ARG A 37 1.841 -7.904 4.812 1.00 0.00 H new ATOM 0 HA ARG A 37 3.059 -10.529 4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.804 -9.507 5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.248 -8.261 4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.902 -7.247 6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.451 -8.496 7.801 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.731 -7.274 6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.730 -6.034 7.197 1.00 0.00 H new ATOM 0 HE ARG A 37 5.077 -8.148 9.095 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.879 -5.591 7.458 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.037 -5.402 8.778 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.567 -7.898 10.788 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.861 -6.703 10.657 1.00 0.00 H new ATOM 555 N MET A 38 1.094 -9.623 7.172 1.00 0.00 N ATOM 556 CA MET A 38 0.418 -10.073 8.384 1.00 0.00 C ATOM 557 C MET A 38 -0.455 -11.291 8.099 1.00 0.00 C ATOM 558 O MET A 38 -0.288 -12.344 8.715 1.00 0.00 O ATOM 559 CB MET A 38 -0.434 -8.945 8.968 1.00 0.00 C ATOM 560 CG MET A 38 -1.332 -9.390 10.110 1.00 0.00 C ATOM 561 SD MET A 38 -1.491 -8.137 11.398 1.00 0.00 S ATOM 562 CE MET A 38 -3.233 -7.740 11.270 1.00 0.00 C ATOM 0 H MET A 38 0.703 -8.775 6.761 1.00 0.00 H new ATOM 0 HA MET A 38 1.179 -10.356 9.111 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.223 -8.151 9.322 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.051 -8.520 8.176 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.320 -9.630 9.718 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.932 -10.305 10.546 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.601 -7.400 12.238 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.373 -6.951 10.531 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.787 -8.627 10.962 1.00 0.00 H new ATOM 572 N ILE A 39 -1.387 -11.139 7.164 1.00 0.00 N ATOM 573 CA ILE A 39 -2.285 -12.227 6.798 1.00 0.00 C ATOM 574 C ILE A 39 -1.504 -13.464 6.367 1.00 0.00 C ATOM 575 O ILE A 39 -1.882 -14.590 6.685 1.00 0.00 O ATOM 576 CB ILE A 39 -3.237 -11.812 5.661 1.00 0.00 C ATOM 577 CG1 ILE A 39 -4.062 -10.592 6.076 1.00 0.00 C ATOM 578 CG2 ILE A 39 -4.149 -12.971 5.284 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.814 -9.952 4.930 1.00 0.00 C ATOM 0 H ILE A 39 -1.540 -10.273 6.647 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.873 -12.463 7.685 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.641 -11.544 4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.774 -10.890 6.846 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.400 -9.851 6.524 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.816 -12.662 4.479 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.546 -13.816 4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.739 -13.266 6.151 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.376 -9.094 5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.106 -9.623 4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.502 -10.678 4.496 1.00 0.00 H new ATOM 591 N GLU A 40 -0.412 -13.244 5.641 1.00 0.00 N ATOM 592 CA GLU A 40 0.422 -14.342 5.167 1.00 0.00 C ATOM 593 C GLU A 40 1.173 -14.994 6.324 1.00 0.00 C ATOM 594 O GLU A 40 1.367 -16.209 6.346 1.00 0.00 O ATOM 595 CB GLU A 40 1.417 -13.839 4.119 1.00 0.00 C ATOM 596 CG GLU A 40 0.808 -13.657 2.739 1.00 0.00 C ATOM 597 CD GLU A 40 1.251 -14.726 1.759 1.00 0.00 C ATOM 598 OE1 GLU A 40 0.584 -15.780 1.688 1.00 0.00 O ATOM 599 OE2 GLU A 40 2.265 -14.509 1.064 1.00 0.00 O ATOM 0 H GLU A 40 -0.085 -12.317 5.369 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.229 -15.089 4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.832 -12.888 4.452 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.247 -14.543 4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.279 -13.673 2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.084 -12.677 2.351 1.00 0.00 H new ATOM 606 N SER A 41 1.592 -14.177 7.285 1.00 0.00 N ATOM 607 CA SER A 41 2.325 -14.672 8.444 1.00 0.00 C ATOM 608 C SER A 41 1.398 -15.432 9.389 1.00 0.00 C ATOM 609 O SER A 41 1.776 -16.459 9.953 1.00 0.00 O ATOM 610 CB SER A 41 2.990 -13.513 9.188 1.00 0.00 C ATOM 611 OG SER A 41 4.103 -13.015 8.465 1.00 0.00 O ATOM 0 H SER A 41 1.436 -13.169 7.284 1.00 0.00 H new ATOM 0 HA SER A 41 3.096 -15.356 8.089 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.266 -12.713 9.344 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.313 -13.847 10.174 1.00 0.00 H new ATOM 0 HG SER A 41 3.788 -12.489 7.700 1.00 0.00 H new ATOM 617 N ARG A 42 0.184 -14.919 9.556 1.00 0.00 N ATOM 618 CA ARG A 42 -0.797 -15.547 10.432 1.00 0.00 C ATOM 619 C ARG A 42 -1.169 -16.937 9.925 1.00 0.00 C ATOM 620 O ARG A 42 -1.108 -17.916 10.668 1.00 0.00 O ATOM 621 CB ARG A 42 -2.052 -14.678 10.535 1.00 0.00 C ATOM 622 CG ARG A 42 -1.778 -13.269 11.035 1.00 0.00 C ATOM 623 CD ARG A 42 -2.073 -13.138 12.521 1.00 0.00 C ATOM 624 NE ARG A 42 -1.301 -12.065 13.141 1.00 0.00 N ATOM 625 CZ ARG A 42 0.016 -12.112 13.313 1.00 0.00 C ATOM 626 NH1 ARG A 42 0.702 -13.174 12.914 1.00 0.00 N ATOM 627 NH2 ARG A 42 0.648 -11.096 13.885 1.00 0.00 N ATOM 0 H ARG A 42 -0.144 -14.070 9.096 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.350 -15.647 11.421 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.526 -14.621 9.555 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.764 -15.160 11.205 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.736 -13.011 10.846 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.389 -12.559 10.478 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.137 -12.948 12.664 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.848 -14.081 13.019 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.800 -11.234 13.459 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.219 -13.957 12.474 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.713 -13.208 13.047 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.123 -10.278 14.193 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.659 -11.133 14.017 1.00 0.00 H new ATOM 641 N GLN A 43 -1.553 -17.015 8.655 1.00 0.00 N ATOM 642 CA GLN A 43 -1.935 -18.285 8.049 1.00 0.00 C ATOM 643 C GLN A 43 -0.852 -19.337 8.261 1.00 0.00 C ATOM 644 O GLN A 43 -1.142 -20.527 8.380 1.00 0.00 O ATOM 645 CB GLN A 43 -2.199 -18.102 6.553 1.00 0.00 C ATOM 646 CG GLN A 43 -3.642 -18.365 6.154 1.00 0.00 C ATOM 647 CD GLN A 43 -3.793 -19.610 5.301 1.00 0.00 C ATOM 648 OE1 GLN A 43 -3.230 -20.660 5.610 1.00 0.00 O ATOM 649 NE2 GLN A 43 -4.557 -19.499 4.221 1.00 0.00 N ATOM 0 H GLN A 43 -1.608 -16.214 8.026 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.849 -18.629 8.533 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.931 -17.085 6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.548 -18.773 5.993 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.251 -18.468 7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.026 -17.505 5.606 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.005 -18.609 4.002 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.696 -20.304 3.610 1.00 0.00 H new ATOM 658 N LYS A 44 0.399 -18.890 8.306 1.00 0.00 N ATOM 659 CA LYS A 44 1.527 -19.792 8.505 1.00 0.00 C ATOM 660 C LYS A 44 1.536 -20.349 9.925 1.00 0.00 C ATOM 661 O LYS A 44 1.921 -21.497 10.149 1.00 0.00 O ATOM 662 CB LYS A 44 2.844 -19.065 8.223 1.00 0.00 C ATOM 663 CG LYS A 44 3.028 -18.684 6.764 1.00 0.00 C ATOM 664 CD LYS A 44 3.934 -19.666 6.041 1.00 0.00 C ATOM 665 CE LYS A 44 5.362 -19.148 5.954 1.00 0.00 C ATOM 666 NZ LYS A 44 5.969 -19.416 4.621 1.00 0.00 N ATOM 0 H LYS A 44 0.657 -17.908 8.207 1.00 0.00 H new ATOM 0 HA LYS A 44 1.421 -20.624 7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.890 -18.163 8.834 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.674 -19.701 8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.057 -18.652 6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.451 -17.682 6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.924 -20.623 6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.549 -19.846 5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.372 -18.076 6.148 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.967 -19.618 6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.942 -19.048 4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.983 -20.441 4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.407 -18.946 3.883 1.00 0.00 H new ATOM 680 N ARG A 45 1.109 -19.529 10.879 1.00 0.00 N ATOM 681 CA ARG A 45 1.067 -19.940 12.278 1.00 0.00 C ATOM 682 C ARG A 45 -0.345 -20.356 12.680 1.00 0.00 C ATOM 683 O ARG A 45 -0.715 -20.282 13.852 1.00 0.00 O ATOM 684 CB ARG A 45 1.553 -18.804 13.180 1.00 0.00 C ATOM 685 CG ARG A 45 3.012 -18.437 12.965 1.00 0.00 C ATOM 686 CD ARG A 45 3.547 -17.589 14.107 1.00 0.00 C ATOM 687 NE ARG A 45 3.662 -16.181 13.736 1.00 0.00 N ATOM 688 CZ ARG A 45 4.627 -15.702 12.958 1.00 0.00 C ATOM 689 NH1 ARG A 45 5.554 -16.515 12.471 1.00 0.00 N ATOM 690 NH2 ARG A 45 4.664 -14.409 12.665 1.00 0.00 N ATOM 0 H ARG A 45 0.787 -18.576 10.709 1.00 0.00 H new ATOM 0 HA ARG A 45 1.728 -20.798 12.399 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.936 -17.923 13.005 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.409 -19.092 14.221 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.607 -19.346 12.875 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.117 -17.893 12.026 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.887 -17.684 14.969 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.524 -17.965 14.411 1.00 0.00 H new ATOM 0 HE ARG A 45 2.963 -15.530 14.094 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.527 -17.510 12.693 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.294 -16.145 11.874 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.951 -13.781 13.037 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.405 -14.042 12.068 1.00 0.00 H new ATOM 704 N LYS A 46 -1.129 -20.793 11.701 1.00 0.00 N ATOM 705 CA LYS A 46 -2.500 -21.221 11.952 1.00 0.00 C ATOM 706 C LYS A 46 -3.272 -20.153 12.720 1.00 0.00 C ATOM 707 O LYS A 46 -4.072 -20.464 13.603 1.00 0.00 O ATOM 708 CB LYS A 46 -2.510 -22.536 12.736 1.00 0.00 C ATOM 709 CG LYS A 46 -1.649 -23.621 12.115 1.00 0.00 C ATOM 710 CD LYS A 46 -2.232 -25.003 12.357 1.00 0.00 C ATOM 711 CE LYS A 46 -3.438 -25.262 11.467 1.00 0.00 C ATOM 712 NZ LYS A 46 -4.488 -26.050 12.171 1.00 0.00 N ATOM 0 H LYS A 46 -0.838 -20.860 10.726 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.988 -21.375 10.990 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.164 -22.346 13.752 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.536 -22.897 12.811 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.559 -23.446 11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.643 -23.571 12.532 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.470 -25.759 12.168 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.523 -25.098 13.403 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.857 -24.311 11.138 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.121 -25.798 10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.293 -26.205 11.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.096 -26.968 12.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.809 -25.528 13.011 1.00 0.00 H new ATOM 726 N LYS A 47 -3.030 -18.893 12.377 1.00 0.00 N ATOM 727 CA LYS A 47 -3.704 -17.778 13.031 1.00 0.00 C ATOM 728 C LYS A 47 -4.681 -17.098 12.078 1.00 0.00 C ATOM 729 O LYS A 47 -4.868 -17.540 10.944 1.00 0.00 O ATOM 730 CB LYS A 47 -2.678 -16.761 13.537 1.00 0.00 C ATOM 731 CG LYS A 47 -2.590 -16.689 15.052 1.00 0.00 C ATOM 732 CD LYS A 47 -1.643 -15.590 15.503 1.00 0.00 C ATOM 733 CE LYS A 47 -0.189 -16.010 15.353 1.00 0.00 C ATOM 734 NZ LYS A 47 0.244 -16.914 16.455 1.00 0.00 N ATOM 0 H LYS A 47 -2.371 -18.618 11.649 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.265 -18.172 13.878 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.697 -17.017 13.136 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.934 -15.775 13.149 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.582 -16.509 15.467 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.250 -17.648 15.444 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.825 -14.689 14.917 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.845 -15.339 16.544 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.053 -16.513 14.396 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.445 -15.124 15.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.245 -17.164 16.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.123 -16.431 17.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.333 -17.779 16.442 1.00 0.00 H new ATOM 748 N LYS A 48 -5.301 -16.019 12.543 1.00 0.00 N ATOM 749 CA LYS A 48 -6.258 -15.275 11.732 1.00 0.00 C ATOM 750 C LYS A 48 -5.954 -13.781 11.765 1.00 0.00 C ATOM 751 O LYS A 48 -5.398 -13.273 12.739 1.00 0.00 O ATOM 752 CB LYS A 48 -7.684 -15.528 12.228 1.00 0.00 C ATOM 753 CG LYS A 48 -8.017 -14.798 13.518 1.00 0.00 C ATOM 754 CD LYS A 48 -8.785 -15.688 14.480 1.00 0.00 C ATOM 755 CE LYS A 48 -7.871 -16.700 15.154 1.00 0.00 C ATOM 756 NZ LYS A 48 -8.614 -17.915 15.589 1.00 0.00 N ATOM 0 H LYS A 48 -5.158 -15.639 13.479 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.171 -15.622 10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.389 -15.222 11.455 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.823 -16.598 12.380 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.097 -14.457 13.992 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.607 -13.910 13.293 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.270 -15.073 15.238 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.575 -16.212 13.941 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.077 -16.987 14.465 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.392 -16.238 16.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.956 -18.580 16.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.356 -17.645 16.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.050 -18.370 14.762 1.00 0.00 H new ATOM 770 N ALA A 49 -6.323 -13.083 10.697 1.00 0.00 N ATOM 771 CA ALA A 49 -6.093 -11.646 10.606 1.00 0.00 C ATOM 772 C ALA A 49 -7.137 -10.871 11.402 1.00 0.00 C ATOM 773 O ALA A 49 -8.335 -10.972 11.135 1.00 0.00 O ATOM 774 CB ALA A 49 -6.098 -11.202 9.151 1.00 0.00 C ATOM 0 H ALA A 49 -6.783 -13.489 9.882 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.115 -11.432 11.036 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.925 -10.127 9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.309 -11.724 8.609 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.063 -11.437 8.702 1.00 0.00 H new ATOM 780 N TYR A 50 -6.676 -10.100 12.380 1.00 0.00 N ATOM 781 CA TYR A 50 -7.572 -9.310 13.217 1.00 0.00 C ATOM 782 C TYR A 50 -7.188 -7.834 13.185 1.00 0.00 C ATOM 783 O TYR A 50 -6.039 -7.485 12.912 1.00 0.00 O ATOM 784 CB TYR A 50 -7.543 -9.825 14.657 1.00 0.00 C ATOM 785 CG TYR A 50 -6.149 -10.089 15.178 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.406 -9.078 15.776 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.573 -11.349 15.072 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.131 -9.315 16.253 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.300 -11.595 15.548 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.583 -10.575 16.137 1.00 0.00 C ATOM 791 OH TYR A 50 -2.314 -10.816 16.610 1.00 0.00 O ATOM 0 H TYR A 50 -5.688 -10.005 12.613 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.582 -9.412 12.821 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.032 -9.097 15.304 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.124 -10.745 14.717 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.833 -8.090 15.869 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.130 -12.150 14.609 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.567 -8.518 16.714 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.868 -12.581 15.459 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.078 -11.754 16.452 1.00 0.00 H new ATOM 801 N CYS A 51 -8.158 -6.971 13.466 1.00 0.00 N ATOM 802 CA CYS A 51 -7.924 -5.532 13.470 1.00 0.00 C ATOM 803 C CYS A 51 -6.711 -5.180 14.326 1.00 0.00 C ATOM 804 O CYS A 51 -6.770 -5.173 15.556 1.00 0.00 O ATOM 805 CB CYS A 51 -9.160 -4.795 13.989 1.00 0.00 C ATOM 806 SG CYS A 51 -10.174 -4.031 12.683 1.00 0.00 S ATOM 0 H CYS A 51 -9.114 -7.243 13.694 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.726 -5.218 12.445 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.778 -5.495 14.551 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.842 -4.020 14.687 1.00 0.00 H new ATOM 0 HG CYS A 51 -9.404 -3.389 11.856 1.00 0.00 H new ATOM 811 N PRO A 52 -5.585 -4.881 13.662 1.00 0.00 N ATOM 812 CA PRO A 52 -4.337 -4.522 14.342 1.00 0.00 C ATOM 813 C PRO A 52 -4.417 -3.157 15.018 1.00 0.00 C ATOM 814 O PRO A 52 -3.572 -2.814 15.845 1.00 0.00 O ATOM 815 CB PRO A 52 -3.310 -4.497 13.207 1.00 0.00 C ATOM 816 CG PRO A 52 -4.107 -4.215 11.981 1.00 0.00 C ATOM 817 CD PRO A 52 -5.443 -4.869 12.196 1.00 0.00 C ATOM 0 HA PRO A 52 -4.093 -5.221 15.142 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.555 -3.729 13.373 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.785 -5.449 13.127 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.218 -3.142 11.826 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.615 -4.615 11.095 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.247 -4.308 11.719 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.468 -5.877 11.782 1.00 0.00 H new ATOM 825 N GLN A 53 -5.438 -2.384 14.662 1.00 0.00 N ATOM 826 CA GLN A 53 -5.627 -1.057 15.235 1.00 0.00 C ATOM 827 C GLN A 53 -5.901 -1.145 16.733 1.00 0.00 C ATOM 828 O GLN A 53 -6.990 -1.539 17.152 1.00 0.00 O ATOM 829 CB GLN A 53 -6.780 -0.336 14.535 1.00 0.00 C ATOM 830 CG GLN A 53 -6.572 1.165 14.411 1.00 0.00 C ATOM 831 CD GLN A 53 -5.279 1.519 13.704 1.00 0.00 C ATOM 832 OE1 GLN A 53 -5.187 1.444 12.478 1.00 0.00 O ATOM 833 NE2 GLN A 53 -4.270 1.907 14.474 1.00 0.00 N ATOM 0 H GLN A 53 -6.147 -2.654 13.980 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.709 -0.490 15.085 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.912 -0.760 13.539 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.702 -0.523 15.085 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.410 1.600 13.867 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.572 1.611 15.405 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.390 1.955 15.486 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.375 2.157 14.054 1.00 0.00 H new ATOM 842 N ILE A 54 -4.907 -0.777 17.534 1.00 0.00 N ATOM 843 CA ILE A 54 -5.041 -0.813 18.984 1.00 0.00 C ATOM 844 C ILE A 54 -6.275 -0.043 19.442 1.00 0.00 C ATOM 845 O ILE A 54 -6.268 1.186 19.496 1.00 0.00 O ATOM 846 CB ILE A 54 -3.798 -0.229 19.680 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.526 -0.880 19.132 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.892 -0.426 21.186 1.00 0.00 C ATOM 849 CD1 ILE A 54 -1.609 0.091 18.423 1.00 0.00 C ATOM 0 H ILE A 54 -3.999 -0.450 17.202 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.145 -1.861 19.264 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.755 0.841 19.474 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.983 -1.346 19.954 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.803 -1.676 18.441 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.006 -0.008 21.664 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.781 0.079 21.564 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.957 -1.491 21.410 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.728 -0.439 18.061 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.135 0.539 17.580 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.302 0.874 19.116 1.00 0.00 H new ATOM 861 N GLY A 55 -7.335 -0.775 19.772 1.00 0.00 N ATOM 862 CA GLY A 55 -8.562 -0.144 20.222 1.00 0.00 C ATOM 863 C GLY A 55 -9.799 -0.800 19.642 1.00 0.00 C ATOM 864 O GLY A 55 -10.895 -0.665 20.185 1.00 0.00 O ATOM 0 H GLY A 55 -7.366 -1.794 19.736 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.610 -0.185 21.310 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.549 0.909 19.943 1.00 0.00 H new ATOM 868 N CYS A 56 -9.624 -1.513 18.534 1.00 0.00 N ATOM 869 CA CYS A 56 -10.735 -2.191 17.877 1.00 0.00 C ATOM 870 C CYS A 56 -10.984 -3.560 18.505 1.00 0.00 C ATOM 871 O CYS A 56 -10.066 -4.188 19.033 1.00 0.00 O ATOM 872 CB CYS A 56 -10.452 -2.348 16.382 1.00 0.00 C ATOM 873 SG CYS A 56 -11.935 -2.240 15.329 1.00 0.00 S ATOM 0 H CYS A 56 -8.723 -1.636 18.072 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.629 -1.582 18.009 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.744 -1.578 16.074 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.969 -3.311 16.214 1.00 0.00 H new ATOM 0 HG CYS A 56 -11.692 -2.795 14.179 1.00 0.00 H new ATOM 878 N SER A 57 -12.231 -4.015 18.443 1.00 0.00 N ATOM 879 CA SER A 57 -12.602 -5.307 19.008 1.00 0.00 C ATOM 880 C SER A 57 -12.708 -6.367 17.916 1.00 0.00 C ATOM 881 O SER A 57 -12.541 -7.560 18.174 1.00 0.00 O ATOM 882 CB SER A 57 -13.930 -5.197 19.759 1.00 0.00 C ATOM 883 OG SER A 57 -13.934 -6.020 20.913 1.00 0.00 O ATOM 0 H SER A 57 -13.002 -3.508 18.007 1.00 0.00 H new ATOM 0 HA SER A 57 -11.822 -5.608 19.707 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.103 -4.160 20.047 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.749 -5.486 19.100 1.00 0.00 H new ATOM 0 HG SER A 57 -14.793 -5.930 21.376 1.00 0.00 H new ATOM 889 N HIS A 58 -12.988 -5.924 16.695 1.00 0.00 N ATOM 890 CA HIS A 58 -13.116 -6.833 15.562 1.00 0.00 C ATOM 891 C HIS A 58 -11.898 -7.746 15.457 1.00 0.00 C ATOM 892 O HIS A 58 -10.810 -7.403 15.922 1.00 0.00 O ATOM 893 CB HIS A 58 -13.291 -6.044 14.264 1.00 0.00 C ATOM 894 CG HIS A 58 -13.835 -6.863 13.134 1.00 0.00 C ATOM 895 ND1 HIS A 58 -15.040 -7.528 13.199 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.330 -7.119 11.904 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.254 -8.161 12.059 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.231 -7.928 11.256 1.00 0.00 N ATOM 0 H HIS A 58 -13.131 -4.941 16.465 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.999 -7.452 15.723 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.960 -5.203 14.447 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.328 -5.627 13.969 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.669 -7.531 14.002 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.394 -6.755 11.507 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.118 -8.765 11.824 1.00 0.00 H new ATOM 906 N THR A 59 -12.087 -8.909 14.843 1.00 0.00 N ATOM 907 CA THR A 59 -11.005 -9.872 14.678 1.00 0.00 C ATOM 908 C THR A 59 -11.247 -10.771 13.472 1.00 0.00 C ATOM 909 O THR A 59 -10.940 -11.963 13.502 1.00 0.00 O ATOM 910 CB THR A 59 -10.837 -10.749 15.933 1.00 0.00 C ATOM 911 OG1 THR A 59 -12.119 -11.174 16.409 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.109 -9.989 17.032 1.00 0.00 C ATOM 0 H THR A 59 -12.980 -9.208 14.451 1.00 0.00 H new ATOM 0 HA THR A 59 -10.092 -9.297 14.521 1.00 0.00 H new ATOM 0 HB THR A 59 -10.243 -11.622 15.662 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.003 -11.732 17.206 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.002 -10.629 17.908 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.122 -9.693 16.677 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.680 -9.100 17.300 1.00 0.00 H new ATOM 920 N ASP A 60 -11.800 -10.194 12.411 1.00 0.00 N ATOM 921 CA ASP A 60 -12.082 -10.944 11.192 1.00 0.00 C ATOM 922 C ASP A 60 -11.719 -10.128 9.955 1.00 0.00 C ATOM 923 O ASP A 60 -12.480 -9.260 9.527 1.00 0.00 O ATOM 924 CB ASP A 60 -13.559 -11.339 11.142 1.00 0.00 C ATOM 925 CG ASP A 60 -13.953 -11.937 9.806 1.00 0.00 C ATOM 926 OD1 ASP A 60 -14.317 -11.164 8.895 1.00 0.00 O ATOM 927 OD2 ASP A 60 -13.899 -13.177 9.671 1.00 0.00 O ATOM 0 H ASP A 60 -12.062 -9.209 12.370 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.472 -11.847 11.201 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.767 -12.058 11.934 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.174 -10.461 11.339 1.00 0.00 H new ATOM 932 N ILE A 61 -10.552 -10.412 9.387 1.00 0.00 N ATOM 933 CA ILE A 61 -10.089 -9.704 8.200 1.00 0.00 C ATOM 934 C ILE A 61 -9.717 -10.680 7.089 1.00 0.00 C ATOM 935 O ILE A 61 -8.986 -11.644 7.314 1.00 0.00 O ATOM 936 CB ILE A 61 -8.872 -8.814 8.515 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.212 -7.823 9.630 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.418 -8.076 7.264 1.00 0.00 C ATOM 939 CD1 ILE A 61 -8.014 -7.057 10.144 1.00 0.00 C ATOM 0 H ILE A 61 -9.910 -11.127 9.729 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.913 -9.074 7.866 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.055 -9.449 8.856 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.955 -7.115 9.262 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.670 -8.364 10.458 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.557 -7.451 7.502 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.141 -8.798 6.496 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.230 -7.449 6.896 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.330 -6.374 10.932 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.279 -7.756 10.543 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.568 -6.488 9.328 1.00 0.00 H new ATOM 951 N ARG A 62 -10.224 -10.422 5.888 1.00 0.00 N ATOM 952 CA ARG A 62 -9.945 -11.276 4.741 1.00 0.00 C ATOM 953 C ARG A 62 -9.341 -10.469 3.595 1.00 0.00 C ATOM 954 O ARG A 62 -9.743 -9.334 3.342 1.00 0.00 O ATOM 955 CB ARG A 62 -11.225 -11.969 4.270 1.00 0.00 C ATOM 956 CG ARG A 62 -11.417 -13.358 4.858 1.00 0.00 C ATOM 957 CD ARG A 62 -12.799 -13.909 4.544 1.00 0.00 C ATOM 958 NE ARG A 62 -12.827 -15.369 4.577 1.00 0.00 N ATOM 959 CZ ARG A 62 -12.377 -16.134 3.588 1.00 0.00 C ATOM 960 NH1 ARG A 62 -11.868 -15.581 2.496 1.00 0.00 N ATOM 961 NH2 ARG A 62 -12.436 -17.456 3.692 1.00 0.00 N ATOM 0 H ARG A 62 -10.831 -9.628 5.684 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.223 -12.032 5.051 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.082 -11.350 4.535 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.209 -12.043 3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.657 -14.031 4.461 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.276 -13.320 5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.518 -13.516 5.263 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.112 -13.563 3.559 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.213 -15.826 5.403 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.821 -14.565 2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.523 -16.171 1.739 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.827 -17.885 4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.091 -18.043 2.933 1.00 0.00 H new ATOM 975 N LYS A 63 -8.372 -11.063 2.907 1.00 0.00 N ATOM 976 CA LYS A 63 -7.711 -10.401 1.788 1.00 0.00 C ATOM 977 C LYS A 63 -8.727 -9.966 0.736 1.00 0.00 C ATOM 978 O LYS A 63 -8.490 -9.022 -0.017 1.00 0.00 O ATOM 979 CB LYS A 63 -6.675 -11.334 1.156 1.00 0.00 C ATOM 980 CG LYS A 63 -5.549 -10.601 0.447 1.00 0.00 C ATOM 981 CD LYS A 63 -4.711 -11.548 -0.394 1.00 0.00 C ATOM 982 CE LYS A 63 -3.886 -12.485 0.476 1.00 0.00 C ATOM 983 NZ LYS A 63 -3.128 -13.475 -0.339 1.00 0.00 N ATOM 0 H LYS A 63 -8.027 -12.002 3.105 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.207 -9.513 2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.251 -11.971 1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.176 -11.990 0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.966 -9.820 -0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.914 -10.108 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.362 -12.132 -1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.049 -10.973 -1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.190 -11.902 1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.544 -13.011 1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.579 -14.095 0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.793 -14.049 -0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.482 -12.974 -0.981 1.00 0.00 H new ATOM 997 N SER A 64 -9.860 -10.660 0.692 1.00 0.00 N ATOM 998 CA SER A 64 -10.912 -10.347 -0.269 1.00 0.00 C ATOM 999 C SER A 64 -11.650 -9.073 0.131 1.00 0.00 C ATOM 1000 O SER A 64 -12.228 -8.387 -0.713 1.00 0.00 O ATOM 1001 CB SER A 64 -11.899 -11.510 -0.374 1.00 0.00 C ATOM 1002 OG SER A 64 -11.331 -12.599 -1.082 1.00 0.00 O ATOM 0 H SER A 64 -10.073 -11.443 1.310 1.00 0.00 H new ATOM 0 HA SER A 64 -10.446 -10.187 -1.241 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.191 -11.834 0.625 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.806 -11.177 -0.879 1.00 0.00 H new ATOM 0 HG SER A 64 -11.981 -13.330 -1.134 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.627 -8.763 1.422 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.292 -7.571 1.935 1.00 0.00 C ATOM 1010 C ASP A 65 -11.311 -6.409 2.055 1.00 0.00 C ATOM 1011 O ASP A 65 -11.502 -5.502 2.866 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.927 -7.861 3.296 1.00 0.00 C ATOM 1013 CG ASP A 65 -14.317 -8.454 3.172 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -15.177 -7.820 2.526 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -14.545 -9.553 3.721 1.00 0.00 O ATOM 0 H ASP A 65 -11.155 -9.321 2.133 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.074 -7.290 1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.290 -8.549 3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.979 -6.938 3.873 1.00 0.00 H new ATOM 1020 N LEU A 66 -10.260 -6.444 1.244 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.246 -5.394 1.259 1.00 0.00 C ATOM 1022 C LEU A 66 -9.275 -4.591 -0.037 1.00 0.00 C ATOM 1023 O LEU A 66 -9.148 -5.148 -1.128 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.858 -6.002 1.465 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.593 -6.622 2.837 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -6.202 -7.234 2.888 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.759 -5.580 3.934 1.00 0.00 C ATOM 0 H LEU A 66 -10.087 -7.188 0.568 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.467 -4.720 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.703 -6.769 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.114 -5.225 1.290 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.322 -7.415 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.032 -7.670 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.118 -8.011 2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.457 -6.461 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.567 -6.039 4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.053 -4.765 3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.776 -5.189 3.913 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.442 -3.279 0.090 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.484 -2.398 -1.071 1.00 0.00 C ATOM 1041 C ILE A 67 -8.459 -1.275 -0.947 1.00 0.00 C ATOM 1042 O ILE A 67 -7.940 -1.014 0.138 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.883 -1.783 -1.261 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.363 -1.142 0.043 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.868 -2.843 -1.731 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.641 -0.348 -0.110 1.00 0.00 C ATOM 0 H ILE A 67 -9.550 -2.802 0.985 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.245 -3.010 -1.940 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.823 -1.007 -2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.517 -1.923 0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.581 -0.486 0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.852 -2.393 -1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.530 -3.258 -2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.928 -3.639 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.922 0.078 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.486 0.455 -0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.437 -1.004 -0.463 1.00 0.00 H new ATOM 1058 N GLN A 68 -8.176 -0.614 -2.064 1.00 0.00 N ATOM 1059 CA GLN A 68 -7.215 0.482 -2.079 1.00 0.00 C ATOM 1060 C GLN A 68 -7.919 1.826 -1.922 1.00 0.00 C ATOM 1061 O GLN A 68 -8.819 2.160 -2.692 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.409 0.464 -3.380 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.705 -0.857 -3.641 1.00 0.00 C ATOM 1064 CD GLN A 68 -4.846 -0.824 -4.890 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -5.057 -1.600 -5.823 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -3.871 0.077 -4.915 1.00 0.00 N ATOM 0 H GLN A 68 -8.598 -0.818 -2.970 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.536 0.348 -1.237 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.076 0.682 -4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.667 1.262 -3.349 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.082 -1.108 -2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.449 -1.648 -3.737 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.732 0.700 -4.120 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.261 0.146 -5.730 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.503 2.592 -0.920 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.093 3.901 -0.662 1.00 0.00 C ATOM 1077 C ASP A 69 -7.341 4.994 -1.414 1.00 0.00 C ATOM 1078 O ASP A 69 -6.196 5.307 -1.092 1.00 0.00 O ATOM 1079 CB ASP A 69 -8.087 4.200 0.838 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.147 5.209 1.232 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -10.042 5.482 0.405 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -9.081 5.727 2.366 1.00 0.00 O ATOM 0 H ASP A 69 -6.760 2.330 -0.273 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.123 3.884 -1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.248 3.274 1.391 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.106 4.577 1.126 1.00 0.00 H new ATOM 1087 N GLU A 70 -7.994 5.571 -2.419 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.386 6.628 -3.218 1.00 0.00 C ATOM 1089 C GLU A 70 -7.367 7.947 -2.451 1.00 0.00 C ATOM 1090 O GLU A 70 -6.366 8.662 -2.450 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.144 6.802 -4.536 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.240 6.850 -5.756 1.00 0.00 C ATOM 1093 CD GLU A 70 -7.910 6.300 -7.000 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.042 5.063 -7.106 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.302 7.107 -7.868 1.00 0.00 O ATOM 0 H GLU A 70 -8.943 5.324 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.358 6.339 -3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.851 5.980 -4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.728 7.721 -4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.935 7.881 -5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.333 6.280 -5.554 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.482 8.262 -1.800 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.594 9.494 -1.029 1.00 0.00 C ATOM 1104 C ALA A 71 -7.436 9.633 -0.046 1.00 0.00 C ATOM 1105 O ALA A 71 -7.001 10.743 0.262 1.00 0.00 O ATOM 1106 CB ALA A 71 -9.924 9.535 -0.290 1.00 0.00 C ATOM 0 H ALA A 71 -9.320 7.681 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.550 10.333 -1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.994 10.460 0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.742 9.490 -1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.990 8.684 0.388 1.00 0.00 H new ATOM 1112 N LEU A 72 -6.942 8.501 0.443 1.00 0.00 N ATOM 1113 CA LEU A 72 -5.835 8.497 1.392 1.00 0.00 C ATOM 1114 C LEU A 72 -4.494 8.490 0.665 1.00 0.00 C ATOM 1115 O LEU A 72 -3.553 9.173 1.069 1.00 0.00 O ATOM 1116 CB LEU A 72 -5.933 7.282 2.316 1.00 0.00 C ATOM 1117 CG LEU A 72 -6.414 7.559 3.741 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -6.469 6.269 4.545 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -5.509 8.576 4.421 1.00 0.00 C ATOM 0 H LEU A 72 -7.291 7.574 0.198 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.899 9.406 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.608 6.558 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.951 6.812 2.370 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.420 7.975 3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.813 6.485 5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.158 5.572 4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.475 5.824 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.866 8.761 5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.491 8.188 4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.521 9.508 3.856 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.415 7.715 -0.412 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.190 7.620 -1.197 1.00 0.00 C ATOM 1133 C ARG A 73 -2.724 9.001 -1.647 1.00 0.00 C ATOM 1134 O ARG A 73 -1.582 9.391 -1.406 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.409 6.721 -2.416 1.00 0.00 C ATOM 1136 CG ARG A 73 -2.870 5.311 -2.237 1.00 0.00 C ATOM 1137 CD ARG A 73 -3.184 4.438 -3.442 1.00 0.00 C ATOM 1138 NE ARG A 73 -4.621 4.327 -3.677 1.00 0.00 N ATOM 1139 CZ ARG A 73 -5.147 3.802 -4.778 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -4.358 3.342 -5.739 1.00 0.00 N ATOM 1141 NH2 ARG A 73 -6.465 3.736 -4.919 1.00 0.00 N ATOM 0 H ARG A 73 -5.185 7.144 -0.761 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.416 7.183 -0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.476 6.668 -2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.931 7.176 -3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.791 5.349 -2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.303 4.866 -1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.703 4.855 -4.327 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.764 3.444 -3.289 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.255 4.671 -2.956 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.345 3.391 -5.634 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.764 2.939 -6.583 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.075 4.089 -4.182 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.868 3.333 -5.765 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.617 9.737 -2.302 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.297 11.074 -2.788 1.00 0.00 C ATOM 1157 C ARG A 74 -3.006 12.019 -1.626 1.00 0.00 C ATOM 1158 O ARG A 74 -2.240 12.972 -1.764 1.00 0.00 O ATOM 1159 CB ARG A 74 -4.449 11.623 -3.630 1.00 0.00 C ATOM 1160 CG ARG A 74 -4.782 10.765 -4.840 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.267 10.810 -5.163 1.00 0.00 C ATOM 1162 NE ARG A 74 -6.512 10.919 -6.599 1.00 0.00 N ATOM 1163 CZ ARG A 74 -6.318 12.033 -7.295 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -5.877 13.128 -6.691 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -6.563 12.053 -8.599 1.00 0.00 N ATOM 0 H ARG A 74 -4.568 9.430 -2.508 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.404 11.004 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.336 11.712 -3.003 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.195 12.628 -3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.211 11.111 -5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.481 9.735 -4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.749 9.910 -4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.724 11.658 -4.652 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.851 10.094 -7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.686 13.116 -5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.729 13.982 -7.228 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.901 11.212 -9.067 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.414 12.909 -9.133 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.624 11.748 -0.480 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.431 12.573 0.706 1.00 0.00 C ATOM 1181 C ALA A 75 -1.953 12.678 1.066 1.00 0.00 C ATOM 1182 O ALA A 75 -1.402 13.776 1.150 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.223 12.008 1.876 1.00 0.00 C ATOM 0 H ALA A 75 -4.262 10.963 -0.349 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.796 13.576 0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.070 12.634 2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.283 11.991 1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.884 10.994 2.089 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.317 11.531 1.279 1.00 0.00 N ATOM 1190 CA ILE A 76 0.097 11.496 1.630 1.00 0.00 C ATOM 1191 C ILE A 76 0.951 12.127 0.536 1.00 0.00 C ATOM 1192 O ILE A 76 1.998 12.710 0.812 1.00 0.00 O ATOM 1193 CB ILE A 76 0.580 10.054 1.876 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.289 9.376 2.937 1.00 0.00 C ATOM 1195 CG2 ILE A 76 2.042 10.051 2.299 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.022 7.894 3.080 1.00 0.00 C ATOM 0 H ILE A 76 -1.759 10.614 1.215 1.00 0.00 H new ATOM 0 HA ILE A 76 0.208 12.070 2.550 1.00 0.00 H new ATOM 0 HB ILE A 76 0.489 9.492 0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.120 9.862 3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.339 9.525 2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.369 9.025 2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.649 10.500 1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.156 10.626 3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.673 7.480 3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.219 7.396 2.131 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.019 7.737 3.363 1.00 0.00 H new