USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 656 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 81 THR OG1 : rot -63:sc= 1.23 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0.106 USER MOD Set 2.1: A 40 GLN : amide:sc= 0 X(o=-0.64,f=-0.62) USER MOD Set 2.2: A 41 ASN : amide:sc= -0.644 K(o=-0.64,f=-3.7!) USER MOD Single : A 10 LYS NZ :NH3+ 164:sc= -0.0426 (180deg=-0.289) USER MOD Single : A 14 MET CE :methyl -173:sc= 0 (180deg=-0.00807) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 97:sc= 1.93 USER MOD Single : A 18 THR OG1 : rot 34:sc= 1 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.03 X(o=-1,f=-0.58) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= -0.0143 (180deg=-0.165) USER MOD Single : A 27 HIS : no HD1:sc= -3.08 K(o=-3.1,f=-1.1) USER MOD Single : A 28 TYR OH : rot 150:sc= -0.441 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 146:sc= -0.621 (180deg=-1.72!) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -169:sc= 0.0155 USER MOD Single : A 75 HIS : no HD1:sc= -9.87! C(o=-9.9!,f=-11!) USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 170:sc= -1.44 (180deg=-1.71) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0296 K(o=-0.03,f=-1.1) USER MOD Single : A 112 GLN : amide:sc= -0.18 K(o=-0.18,f=-2.2!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 10 -2.799 3.248 8.709 1.00 0.00 N ATOM 100 CA LYS A 10 -3.055 1.851 8.378 1.00 0.00 C ATOM 101 C LYS A 10 -1.769 1.145 7.962 1.00 0.00 C ATOM 102 O LYS A 10 -1.078 1.586 7.044 1.00 0.00 O ATOM 103 CB LYS A 10 -4.089 1.754 7.253 1.00 0.00 C ATOM 104 CG LYS A 10 -4.418 0.327 6.851 1.00 0.00 C ATOM 105 CD LYS A 10 -5.469 0.285 5.754 1.00 0.00 C ATOM 106 CE LYS A 10 -5.975 -1.130 5.521 1.00 0.00 C ATOM 107 NZ LYS A 10 -6.747 -1.642 6.687 1.00 0.00 N ATOM 0 HA LYS A 10 -3.447 1.359 9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.005 2.254 7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.716 2.292 6.381 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.512 -0.173 6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.776 -0.224 7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.304 0.931 6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.047 0.679 4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.605 -1.149 4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.130 -1.790 5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.296 -2.477 6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.091 -1.905 7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.394 -0.902 7.027 1.00 0.00 H new ATOM 121 N GLU A 11 -1.455 0.048 8.643 1.00 0.00 N ATOM 122 CA GLU A 11 -0.251 -0.719 8.343 1.00 0.00 C ATOM 123 C GLU A 11 -0.563 -2.210 8.256 1.00 0.00 C ATOM 124 O GLU A 11 -1.645 -2.652 8.640 1.00 0.00 O ATOM 125 CB GLU A 11 0.817 -0.471 9.410 1.00 0.00 C ATOM 126 CG GLU A 11 0.335 -0.735 10.827 1.00 0.00 C ATOM 127 CD GLU A 11 -0.518 0.394 11.372 1.00 0.00 C ATOM 128 OE1 GLU A 11 0.017 1.507 11.557 1.00 0.00 O ATOM 129 OE2 GLU A 11 -1.721 0.164 11.615 1.00 0.00 O ATOM 0 H GLU A 11 -2.017 -0.330 9.406 1.00 0.00 H new ATOM 0 HA GLU A 11 0.128 -0.388 7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.679 -1.106 9.204 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.158 0.562 9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.240 -1.661 10.845 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.196 -0.882 11.479 1.00 0.00 H new ATOM 136 N GLY A 12 0.394 -2.980 7.748 1.00 0.00 N ATOM 137 CA GLY A 12 0.203 -4.413 7.619 1.00 0.00 C ATOM 138 C GLY A 12 1.205 -5.049 6.675 1.00 0.00 C ATOM 139 O GLY A 12 1.792 -4.369 5.833 1.00 0.00 O ATOM 0 H GLY A 12 1.298 -2.637 7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.288 -4.878 8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.807 -4.611 7.259 1.00 0.00 H new ATOM 143 N TRP A 13 1.402 -6.354 6.817 1.00 0.00 N ATOM 144 CA TRP A 13 2.341 -7.082 5.971 1.00 0.00 C ATOM 145 C TRP A 13 1.697 -7.459 4.641 1.00 0.00 C ATOM 146 O TRP A 13 0.791 -8.291 4.594 1.00 0.00 O ATOM 147 CB TRP A 13 2.836 -8.339 6.687 1.00 0.00 C ATOM 148 CG TRP A 13 3.603 -8.045 7.941 1.00 0.00 C ATOM 149 CD1 TRP A 13 3.094 -7.915 9.201 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.016 -7.844 8.054 1.00 0.00 C ATOM 151 NE1 TRP A 13 4.105 -7.644 10.091 1.00 0.00 N ATOM 152 CE2 TRP A 13 5.294 -7.596 9.412 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.073 -7.850 7.140 1.00 0.00 C ATOM 154 CZ2 TRP A 13 6.585 -7.357 9.876 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.354 -7.611 7.602 1.00 0.00 C ATOM 156 CH2 TRP A 13 7.601 -7.368 8.960 1.00 0.00 C ATOM 0 H TRP A 13 0.924 -6.930 7.510 1.00 0.00 H new ATOM 0 HA TRP A 13 3.190 -6.429 5.769 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.981 -8.969 6.932 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.469 -8.910 6.008 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.050 -8.011 9.460 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.989 -7.502 11.094 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.893 -8.038 6.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.777 -7.170 10.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.178 -7.612 6.904 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.613 -7.186 9.290 1.00 0.00 H new ATOM 167 N MET A 14 2.171 -6.844 3.563 1.00 0.00 N ATOM 168 CA MET A 14 1.641 -7.118 2.232 1.00 0.00 C ATOM 169 C MET A 14 2.764 -7.459 1.259 1.00 0.00 C ATOM 170 O MET A 14 3.910 -7.050 1.449 1.00 0.00 O ATOM 171 CB MET A 14 0.852 -5.913 1.716 1.00 0.00 C ATOM 172 CG MET A 14 0.032 -6.211 0.471 1.00 0.00 C ATOM 173 SD MET A 14 -1.149 -7.550 0.722 1.00 0.00 S ATOM 174 CE MET A 14 -2.608 -6.629 1.202 1.00 0.00 C ATOM 0 H MET A 14 2.921 -6.153 3.585 1.00 0.00 H new ATOM 0 HA MET A 14 0.974 -7.977 2.304 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.186 -5.561 2.504 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.546 -5.101 1.498 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.504 -5.311 0.169 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.703 -6.472 -0.347 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.390 -7.322 1.512 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.363 -5.965 2.031 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.960 -6.039 0.356 1.00 0.00 H new ATOM 184 N VAL A 15 2.430 -8.212 0.216 1.00 0.00 N ATOM 185 CA VAL A 15 3.411 -8.608 -0.787 1.00 0.00 C ATOM 186 C VAL A 15 3.126 -7.940 -2.128 1.00 0.00 C ATOM 187 O VAL A 15 1.974 -7.664 -2.464 1.00 0.00 O ATOM 188 CB VAL A 15 3.430 -10.136 -0.981 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.713 -10.839 0.338 1.00 0.00 C ATOM 190 CG2 VAL A 15 2.114 -10.614 -1.577 1.00 0.00 C ATOM 0 H VAL A 15 1.487 -8.560 0.044 1.00 0.00 H new ATOM 0 HA VAL A 15 4.386 -8.283 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 15 4.230 -10.386 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.722 -11.918 0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.683 -10.519 0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.937 -10.584 1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.145 -11.696 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.295 -10.353 -0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.958 -10.137 -2.544 1.00 0.00 H new ATOM 200 N HIS A 16 4.183 -7.683 -2.891 1.00 0.00 N ATOM 201 CA HIS A 16 4.047 -7.048 -4.197 1.00 0.00 C ATOM 202 C HIS A 16 5.215 -7.419 -5.106 1.00 0.00 C ATOM 203 O HIS A 16 6.253 -7.889 -4.639 1.00 0.00 O ATOM 204 CB HIS A 16 3.969 -5.529 -4.043 1.00 0.00 C ATOM 205 CG HIS A 16 5.307 -4.871 -3.898 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.031 -4.889 -2.724 1.00 0.00 N ATOM 207 CD2 HIS A 16 6.053 -4.176 -4.788 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.163 -4.231 -2.898 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.202 -3.789 -4.142 1.00 0.00 N ATOM 0 H HIS A 16 5.143 -7.905 -2.628 1.00 0.00 H new ATOM 0 HA HIS A 16 3.125 -7.408 -4.654 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.460 -5.110 -4.911 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.360 -5.291 -3.171 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.793 -3.965 -5.815 1.00 0.00 H new ATOM 0 HE1 HIS A 16 7.927 -4.080 -2.150 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.962 -3.248 -4.556 1.00 0.00 H new ATOM 218 N TYR A 17 5.038 -7.206 -6.405 1.00 0.00 N ATOM 219 CA TYR A 17 6.076 -7.521 -7.380 1.00 0.00 C ATOM 220 C TYR A 17 6.128 -6.466 -8.480 1.00 0.00 C ATOM 221 O TYR A 17 5.148 -5.763 -8.731 1.00 0.00 O ATOM 222 CB TYR A 17 5.827 -8.901 -7.992 1.00 0.00 C ATOM 223 CG TYR A 17 4.794 -8.896 -9.095 1.00 0.00 C ATOM 224 CD1 TYR A 17 3.442 -9.039 -8.808 1.00 0.00 C ATOM 225 CD2 TYR A 17 5.168 -8.750 -10.425 1.00 0.00 C ATOM 226 CE1 TYR A 17 2.493 -9.037 -9.813 1.00 0.00 C ATOM 227 CE2 TYR A 17 4.227 -8.745 -11.436 1.00 0.00 C ATOM 228 CZ TYR A 17 2.891 -8.889 -11.125 1.00 0.00 C ATOM 229 OH TYR A 17 1.951 -8.886 -12.129 1.00 0.00 O ATOM 0 H TYR A 17 4.186 -6.817 -6.808 1.00 0.00 H new ATOM 0 HA TYR A 17 7.036 -7.528 -6.863 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.766 -9.289 -8.387 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.505 -9.585 -7.207 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.127 -9.154 -7.781 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.213 -8.638 -10.673 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.446 -9.151 -9.572 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.536 -8.629 -12.464 1.00 0.00 H new ATOM 0 HH TYR A 17 1.724 -7.962 -12.362 1.00 0.00 H new ATOM 239 N THR A 18 7.280 -6.361 -9.136 1.00 0.00 N ATOM 240 CA THR A 18 7.462 -5.392 -10.210 1.00 0.00 C ATOM 241 C THR A 18 7.374 -6.062 -11.576 1.00 0.00 C ATOM 242 O THR A 18 7.607 -7.264 -11.705 1.00 0.00 O ATOM 243 CB THR A 18 8.818 -4.671 -10.091 1.00 0.00 C ATOM 244 OG1 THR A 18 9.865 -5.626 -9.884 1.00 0.00 O ATOM 245 CG2 THR A 18 8.802 -3.672 -8.944 1.00 0.00 C ATOM 0 H THR A 18 8.101 -6.935 -8.942 1.00 0.00 H new ATOM 0 HA THR A 18 6.660 -4.660 -10.115 1.00 0.00 H new ATOM 0 HB THR A 18 8.999 -4.130 -11.020 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.655 -6.452 -10.368 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.770 -3.176 -8.880 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.024 -2.929 -9.120 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.600 -4.195 -8.009 1.00 0.00 H new ATOM 253 N SER A 19 7.035 -5.278 -12.594 1.00 0.00 N ATOM 254 CA SER A 19 6.913 -5.797 -13.951 1.00 0.00 C ATOM 255 C SER A 19 8.279 -6.178 -14.512 1.00 0.00 C ATOM 256 O SER A 19 8.417 -7.183 -15.210 1.00 0.00 O ATOM 257 CB SER A 19 6.248 -4.760 -14.858 1.00 0.00 C ATOM 258 OG SER A 19 5.868 -5.334 -16.097 1.00 0.00 O ATOM 0 H SER A 19 6.840 -4.281 -12.505 1.00 0.00 H new ATOM 0 HA SER A 19 6.291 -6.692 -13.917 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.370 -4.347 -14.361 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.935 -3.932 -15.033 1.00 0.00 H new ATOM 0 HG SER A 19 5.444 -4.651 -16.658 1.00 0.00 H new ATOM 264 N ARG A 20 9.286 -5.369 -14.202 1.00 0.00 N ATOM 265 CA ARG A 20 10.642 -5.620 -14.675 1.00 0.00 C ATOM 266 C ARG A 20 11.196 -6.911 -14.079 1.00 0.00 C ATOM 267 O ARG A 20 11.570 -7.831 -14.807 1.00 0.00 O ATOM 268 CB ARG A 20 11.556 -4.447 -14.315 1.00 0.00 C ATOM 269 CG ARG A 20 12.964 -4.579 -14.873 1.00 0.00 C ATOM 270 CD ARG A 20 13.061 -4.013 -16.281 1.00 0.00 C ATOM 271 NE ARG A 20 14.443 -3.938 -16.747 1.00 0.00 N ATOM 272 CZ ARG A 20 14.783 -3.608 -17.988 1.00 0.00 C ATOM 273 NH1 ARG A 20 13.846 -3.324 -18.882 1.00 0.00 N ATOM 274 NH2 ARG A 20 16.063 -3.561 -18.336 1.00 0.00 N ATOM 0 H ARG A 20 9.189 -4.534 -13.625 1.00 0.00 H new ATOM 0 HA ARG A 20 10.607 -5.726 -15.759 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.112 -3.524 -14.687 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.611 -4.360 -13.230 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.665 -4.058 -14.221 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.256 -5.629 -14.881 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.482 -4.636 -16.963 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.617 -3.018 -16.303 1.00 0.00 H new ATOM 0 HE ARG A 20 15.188 -4.151 -16.083 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.862 -3.359 -18.617 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.110 -3.071 -19.834 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.786 -3.778 -17.650 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.323 -3.308 -19.289 1.00 0.00 H new ATOM 288 N ASP A 21 11.244 -6.972 -12.753 1.00 0.00 N ATOM 289 CA ASP A 21 11.751 -8.150 -12.060 1.00 0.00 C ATOM 290 C ASP A 21 10.646 -8.822 -11.251 1.00 0.00 C ATOM 291 O ASP A 21 9.906 -8.160 -10.524 1.00 0.00 O ATOM 292 CB ASP A 21 12.912 -7.767 -11.141 1.00 0.00 C ATOM 293 CG ASP A 21 12.444 -7.087 -9.869 1.00 0.00 C ATOM 294 OD1 ASP A 21 11.843 -7.774 -9.016 1.00 0.00 O ATOM 295 OD2 ASP A 21 12.680 -5.870 -9.726 1.00 0.00 O ATOM 0 H ASP A 21 10.938 -6.219 -12.137 1.00 0.00 H new ATOM 0 HA ASP A 21 12.109 -8.856 -12.809 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.478 -8.662 -10.884 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.591 -7.103 -11.676 1.00 0.00 H new ATOM 300 N ASN A 22 10.541 -10.140 -11.383 1.00 0.00 N ATOM 301 CA ASN A 22 9.525 -10.901 -10.666 1.00 0.00 C ATOM 302 C ASN A 22 10.071 -11.424 -9.340 1.00 0.00 C ATOM 303 O ASN A 22 10.338 -12.617 -9.194 1.00 0.00 O ATOM 304 CB ASN A 22 9.032 -12.069 -11.523 1.00 0.00 C ATOM 305 CG ASN A 22 10.174 -12.892 -12.089 1.00 0.00 C ATOM 306 OD1 ASN A 22 10.675 -13.808 -11.437 1.00 0.00 O ATOM 307 ND2 ASN A 22 10.589 -12.569 -13.308 1.00 0.00 N ATOM 0 H ASN A 22 11.147 -10.703 -11.980 1.00 0.00 H new ATOM 0 HA ASN A 22 8.689 -10.234 -10.457 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.388 -12.711 -10.922 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.424 -11.684 -12.342 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.353 -13.088 -13.741 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.144 -11.802 -13.812 1.00 0.00 H new ATOM 314 N LEU A 23 10.234 -10.523 -8.378 1.00 0.00 N ATOM 315 CA LEU A 23 10.748 -10.892 -7.064 1.00 0.00 C ATOM 316 C LEU A 23 9.773 -10.485 -5.964 1.00 0.00 C ATOM 317 O LEU A 23 9.962 -9.466 -5.298 1.00 0.00 O ATOM 318 CB LEU A 23 12.109 -10.235 -6.823 1.00 0.00 C ATOM 319 CG LEU A 23 13.073 -11.000 -5.916 1.00 0.00 C ATOM 320 CD1 LEU A 23 14.488 -10.466 -6.070 1.00 0.00 C ATOM 321 CD2 LEU A 23 12.622 -10.913 -4.465 1.00 0.00 C ATOM 0 H LEU A 23 10.018 -9.532 -8.483 1.00 0.00 H new ATOM 0 HA LEU A 23 10.865 -11.975 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.593 -10.084 -7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.942 -9.248 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 23 13.069 -12.048 -6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 23 15.160 -11.023 -5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.810 -10.581 -7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.510 -9.411 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.320 -11.463 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.597 -9.869 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.626 -11.345 -4.367 1.00 0.00 H new ATOM 333 N ARG A 24 8.732 -11.289 -5.776 1.00 0.00 N ATOM 334 CA ARG A 24 7.727 -11.013 -4.756 1.00 0.00 C ATOM 335 C ARG A 24 8.386 -10.626 -3.435 1.00 0.00 C ATOM 336 O ARG A 24 9.172 -11.389 -2.874 1.00 0.00 O ATOM 337 CB ARG A 24 6.828 -12.234 -4.552 1.00 0.00 C ATOM 338 CG ARG A 24 5.529 -11.919 -3.829 1.00 0.00 C ATOM 339 CD ARG A 24 4.763 -13.187 -3.484 1.00 0.00 C ATOM 340 NE ARG A 24 4.001 -13.693 -4.622 1.00 0.00 N ATOM 341 CZ ARG A 24 3.291 -14.816 -4.591 1.00 0.00 C ATOM 342 NH1 ARG A 24 3.245 -15.544 -3.484 1.00 0.00 N ATOM 343 NH2 ARG A 24 2.625 -15.211 -5.668 1.00 0.00 N ATOM 0 H ARG A 24 8.562 -12.137 -6.317 1.00 0.00 H new ATOM 0 HA ARG A 24 7.118 -10.176 -5.098 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.597 -12.671 -5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.376 -12.988 -3.986 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.745 -11.363 -2.917 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.909 -11.277 -4.455 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.462 -13.952 -3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.085 -12.987 -2.654 1.00 0.00 H new ATOM 0 HE ARG A 24 4.014 -13.155 -5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.755 -15.243 -2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.699 -16.406 -3.462 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.658 -14.653 -6.521 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.080 -16.073 -5.643 1.00 0.00 H new ATOM 357 N LYS A 25 8.061 -9.435 -2.945 1.00 0.00 N ATOM 358 CA LYS A 25 8.619 -8.945 -1.690 1.00 0.00 C ATOM 359 C LYS A 25 7.515 -8.667 -0.675 1.00 0.00 C ATOM 360 O LYS A 25 6.507 -8.039 -0.997 1.00 0.00 O ATOM 361 CB LYS A 25 9.436 -7.674 -1.933 1.00 0.00 C ATOM 362 CG LYS A 25 10.828 -7.940 -2.478 1.00 0.00 C ATOM 363 CD LYS A 25 11.445 -6.683 -3.069 1.00 0.00 C ATOM 364 CE LYS A 25 12.870 -6.930 -3.540 1.00 0.00 C ATOM 365 NZ LYS A 25 13.788 -7.214 -2.402 1.00 0.00 N ATOM 0 H LYS A 25 7.413 -8.790 -3.398 1.00 0.00 H new ATOM 0 HA LYS A 25 9.273 -9.718 -1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.897 -7.034 -2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.521 -7.122 -0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.466 -8.319 -1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.779 -8.716 -3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.839 -6.338 -3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.440 -5.888 -2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.883 -7.769 -4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.228 -6.058 -4.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.774 -7.159 -2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.634 -6.514 -1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.599 -8.168 -2.033 1.00 0.00 H new ATOM 379 N ARG A 26 7.714 -9.138 0.552 1.00 0.00 N ATOM 380 CA ARG A 26 6.735 -8.939 1.614 1.00 0.00 C ATOM 381 C ARG A 26 7.282 -8.005 2.690 1.00 0.00 C ATOM 382 O ARG A 26 8.280 -8.311 3.343 1.00 0.00 O ATOM 383 CB ARG A 26 6.348 -10.281 2.238 1.00 0.00 C ATOM 384 CG ARG A 26 5.392 -10.154 3.412 1.00 0.00 C ATOM 385 CD ARG A 26 5.410 -11.401 4.283 1.00 0.00 C ATOM 386 NE ARG A 26 4.670 -12.504 3.675 1.00 0.00 N ATOM 387 CZ ARG A 26 3.351 -12.505 3.516 1.00 0.00 C ATOM 388 NH1 ARG A 26 2.631 -11.467 3.918 1.00 0.00 N ATOM 389 NH2 ARG A 26 2.751 -13.546 2.954 1.00 0.00 N ATOM 0 H ARG A 26 8.544 -9.660 0.835 1.00 0.00 H new ATOM 0 HA ARG A 26 5.849 -8.481 1.175 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.890 -10.909 1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.252 -10.792 2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.664 -9.286 4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.381 -9.982 3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.442 -11.708 4.455 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.980 -11.169 5.257 1.00 0.00 H new ATOM 0 HE ARG A 26 5.195 -13.318 3.355 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.090 -10.665 4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.618 -11.470 3.795 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.302 -14.346 2.644 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.738 -13.546 2.832 1.00 0.00 H new ATOM 403 N HIS A 27 6.622 -6.865 2.868 1.00 0.00 N ATOM 404 CA HIS A 27 7.042 -5.887 3.865 1.00 0.00 C ATOM 405 C HIS A 27 5.834 -5.282 4.575 1.00 0.00 C ATOM 406 O HIS A 27 4.704 -5.385 4.096 1.00 0.00 O ATOM 407 CB HIS A 27 7.868 -4.781 3.208 1.00 0.00 C ATOM 408 CG HIS A 27 9.016 -5.294 2.394 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.302 -4.837 1.124 1.00 0.00 N ATOM 410 CD2 HIS A 27 9.953 -6.229 2.675 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.364 -5.471 0.660 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.778 -6.320 1.582 1.00 0.00 N ATOM 0 H HIS A 27 5.795 -6.596 2.335 1.00 0.00 H new ATOM 0 HA HIS A 27 7.657 -6.400 4.605 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.218 -4.184 2.568 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.251 -4.116 3.982 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.036 -6.798 3.589 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.817 -5.320 -0.309 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.581 -6.943 1.496 1.00 0.00 H new ATOM 421 N TYR A 28 6.080 -4.652 5.718 1.00 0.00 N ATOM 422 CA TYR A 28 5.013 -4.034 6.496 1.00 0.00 C ATOM 423 C TYR A 28 4.584 -2.708 5.875 1.00 0.00 C ATOM 424 O TYR A 28 5.021 -1.640 6.303 1.00 0.00 O ATOM 425 CB TYR A 28 5.468 -3.810 7.939 1.00 0.00 C ATOM 426 CG TYR A 28 4.327 -3.710 8.925 1.00 0.00 C ATOM 427 CD1 TYR A 28 3.396 -4.734 9.047 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.181 -2.592 9.737 1.00 0.00 C ATOM 429 CE1 TYR A 28 2.351 -4.646 9.946 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.140 -2.496 10.640 1.00 0.00 C ATOM 431 CZ TYR A 28 2.227 -3.525 10.741 1.00 0.00 C ATOM 432 OH TYR A 28 1.189 -3.435 11.639 1.00 0.00 O ATOM 0 H TYR A 28 7.010 -4.556 6.127 1.00 0.00 H new ATOM 0 HA TYR A 28 4.158 -4.710 6.493 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.123 -4.629 8.236 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.060 -2.896 7.987 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.491 -5.614 8.428 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.894 -1.784 9.661 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.635 -5.450 10.026 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.042 -1.620 11.264 1.00 0.00 H new ATOM 0 HH TYR A 28 1.468 -2.896 12.408 1.00 0.00 H new ATOM 442 N TRP A 29 3.726 -2.786 4.864 1.00 0.00 N ATOM 443 CA TRP A 29 3.237 -1.593 4.183 1.00 0.00 C ATOM 444 C TRP A 29 2.533 -0.659 5.161 1.00 0.00 C ATOM 445 O TRP A 29 1.668 -1.084 5.927 1.00 0.00 O ATOM 446 CB TRP A 29 2.283 -1.981 3.052 1.00 0.00 C ATOM 447 CG TRP A 29 2.974 -2.196 1.740 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.143 -2.870 1.530 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.540 -1.733 0.456 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.462 -2.854 0.193 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.494 -2.164 -0.487 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.437 -0.999 0.012 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.377 -1.882 -1.845 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.323 -0.720 -1.337 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.287 -1.161 -2.252 1.00 0.00 C ATOM 0 H TRP A 29 3.355 -3.663 4.498 1.00 0.00 H new ATOM 0 HA TRP A 29 4.094 -1.068 3.761 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.754 -2.893 3.329 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.532 -1.199 2.935 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.731 -3.346 2.301 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.286 -3.286 -0.225 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.687 -0.656 0.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.120 -2.220 -2.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.476 -0.152 -1.692 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.168 -0.928 -3.300 1.00 0.00 H new ATOM 466 N ARG A 30 2.908 0.616 5.129 1.00 0.00 N ATOM 467 CA ARG A 30 2.312 1.610 6.014 1.00 0.00 C ATOM 468 C ARG A 30 1.784 2.800 5.218 1.00 0.00 C ATOM 469 O ARG A 30 2.481 3.345 4.360 1.00 0.00 O ATOM 470 CB ARG A 30 3.337 2.086 7.044 1.00 0.00 C ATOM 471 CG ARG A 30 3.823 0.986 7.973 1.00 0.00 C ATOM 472 CD ARG A 30 4.211 1.538 9.336 1.00 0.00 C ATOM 473 NE ARG A 30 5.203 0.700 10.004 1.00 0.00 N ATOM 474 CZ ARG A 30 5.466 0.767 11.304 1.00 0.00 C ATOM 475 NH1 ARG A 30 4.814 1.628 12.072 1.00 0.00 N ATOM 476 NH2 ARG A 30 6.384 -0.028 11.839 1.00 0.00 N ATOM 0 H ARG A 30 3.621 0.985 4.500 1.00 0.00 H new ATOM 0 HA ARG A 30 1.475 1.143 6.533 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.193 2.513 6.522 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.896 2.885 7.640 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.040 0.237 8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.680 0.483 7.526 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.608 2.546 9.219 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.322 1.616 9.962 1.00 0.00 H new ATOM 0 HE ARG A 30 5.722 0.026 9.441 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.108 2.241 11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.018 1.677 13.070 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.889 -0.692 11.252 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.585 0.025 12.838 1.00 0.00 H new ATOM 490 N LEU A 31 0.550 3.197 5.506 1.00 0.00 N ATOM 491 CA LEU A 31 -0.072 4.323 4.817 1.00 0.00 C ATOM 492 C LEU A 31 -0.554 5.372 5.813 1.00 0.00 C ATOM 493 O LEU A 31 -0.911 5.049 6.946 1.00 0.00 O ATOM 494 CB LEU A 31 -1.245 3.838 3.962 1.00 0.00 C ATOM 495 CG LEU A 31 -2.299 4.889 3.611 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.764 5.853 2.564 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.575 4.220 3.121 1.00 0.00 C ATOM 0 H LEU A 31 -0.040 2.756 6.212 1.00 0.00 H new ATOM 0 HA LEU A 31 0.677 4.780 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.847 3.428 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.738 3.020 4.487 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.533 5.457 4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.528 6.593 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.878 6.357 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.501 5.301 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.314 4.982 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.357 3.627 2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.969 3.571 3.903 1.00 0.00 H new ATOM 509 N ASP A 32 -0.563 6.629 5.383 1.00 0.00 N ATOM 510 CA ASP A 32 -1.004 7.727 6.235 1.00 0.00 C ATOM 511 C ASP A 32 -1.562 8.874 5.399 1.00 0.00 C ATOM 512 O ASP A 32 -1.339 8.940 4.191 1.00 0.00 O ATOM 513 CB ASP A 32 0.154 8.225 7.101 1.00 0.00 C ATOM 514 CG ASP A 32 1.493 8.106 6.401 1.00 0.00 C ATOM 515 OD1 ASP A 32 2.075 7.001 6.417 1.00 0.00 O ATOM 516 OD2 ASP A 32 1.959 9.118 5.837 1.00 0.00 O ATOM 0 H ASP A 32 -0.270 6.913 4.448 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.798 7.355 6.883 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.020 9.266 7.371 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.181 7.655 8.030 1.00 0.00 H new ATOM 521 N SER A 33 -2.288 9.776 6.052 1.00 0.00 N ATOM 522 CA SER A 33 -2.882 10.919 5.368 1.00 0.00 C ATOM 523 C SER A 33 -1.815 11.729 4.637 1.00 0.00 C ATOM 524 O SER A 33 -2.124 12.536 3.759 1.00 0.00 O ATOM 525 CB SER A 33 -3.620 11.811 6.367 1.00 0.00 C ATOM 526 OG SER A 33 -4.061 13.010 5.752 1.00 0.00 O ATOM 0 H SER A 33 -2.479 9.738 7.053 1.00 0.00 H new ATOM 0 HA SER A 33 -3.594 10.542 4.634 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.475 11.273 6.777 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.962 12.048 7.203 1.00 0.00 H new ATOM 0 HG SER A 33 -4.531 13.562 6.411 1.00 0.00 H new ATOM 532 N LYS A 34 -0.558 11.509 5.006 1.00 0.00 N ATOM 533 CA LYS A 34 0.557 12.216 4.386 1.00 0.00 C ATOM 534 C LYS A 34 1.032 11.489 3.132 1.00 0.00 C ATOM 535 O LYS A 34 0.827 11.963 2.014 1.00 0.00 O ATOM 536 CB LYS A 34 1.714 12.354 5.378 1.00 0.00 C ATOM 537 CG LYS A 34 1.647 13.616 6.220 1.00 0.00 C ATOM 538 CD LYS A 34 2.618 13.560 7.387 1.00 0.00 C ATOM 539 CE LYS A 34 1.984 12.914 8.609 1.00 0.00 C ATOM 540 NZ LYS A 34 1.942 11.430 8.493 1.00 0.00 N ATOM 0 H LYS A 34 -0.285 10.846 5.732 1.00 0.00 H new ATOM 0 HA LYS A 34 0.211 13.209 4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.720 11.487 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.655 12.343 4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.874 14.482 5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.633 13.750 6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.506 12.998 7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.947 14.569 7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.546 13.193 9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.972 13.297 8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.069 11.005 9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.024 11.138 8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.704 11.109 7.862 1.00 0.00 H new ATOM 554 N CYS A 35 1.666 10.338 3.325 1.00 0.00 N ATOM 555 CA CYS A 35 2.169 9.546 2.208 1.00 0.00 C ATOM 556 C CYS A 35 2.366 8.091 2.619 1.00 0.00 C ATOM 557 O CYS A 35 2.450 7.775 3.807 1.00 0.00 O ATOM 558 CB CYS A 35 3.489 10.127 1.698 1.00 0.00 C ATOM 559 SG CYS A 35 4.657 10.567 3.006 1.00 0.00 S ATOM 0 H CYS A 35 1.844 9.932 4.244 1.00 0.00 H new ATOM 0 HA CYS A 35 1.430 9.582 1.407 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.960 9.402 1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.277 11.014 1.102 1.00 0.00 H new ATOM 0 HG CYS A 35 5.742 11.047 2.475 1.00 0.00 H new ATOM 565 N LEU A 36 2.437 7.207 1.630 1.00 0.00 N ATOM 566 CA LEU A 36 2.622 5.783 1.888 1.00 0.00 C ATOM 567 C LEU A 36 4.101 5.447 2.053 1.00 0.00 C ATOM 568 O LEU A 36 4.913 5.716 1.167 1.00 0.00 O ATOM 569 CB LEU A 36 2.023 4.956 0.749 1.00 0.00 C ATOM 570 CG LEU A 36 2.260 3.447 0.818 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.177 2.774 1.647 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.312 2.850 -0.581 1.00 0.00 C ATOM 0 H LEU A 36 2.369 7.451 0.642 1.00 0.00 H new ATOM 0 HA LEU A 36 2.107 5.537 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.948 5.134 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.429 5.325 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 36 3.221 3.272 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.362 1.701 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.188 3.180 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.204 2.958 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.481 1.775 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.367 3.036 -1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.125 3.310 -1.143 1.00 0.00 H new ATOM 584 N THR A 37 4.444 4.855 3.193 1.00 0.00 N ATOM 585 CA THR A 37 5.824 4.481 3.474 1.00 0.00 C ATOM 586 C THR A 37 5.957 2.975 3.668 1.00 0.00 C ATOM 587 O THR A 37 5.095 2.338 4.275 1.00 0.00 O ATOM 588 CB THR A 37 6.356 5.198 4.729 1.00 0.00 C ATOM 589 OG1 THR A 37 5.838 6.531 4.788 1.00 0.00 O ATOM 590 CG2 THR A 37 7.877 5.238 4.726 1.00 0.00 C ATOM 0 H THR A 37 3.785 4.624 3.936 1.00 0.00 H new ATOM 0 HA THR A 37 6.416 4.787 2.612 1.00 0.00 H new ATOM 0 HB THR A 37 6.025 4.642 5.606 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.180 6.979 5.590 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.229 5.749 5.622 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.268 4.221 4.711 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.225 5.773 3.842 1.00 0.00 H new ATOM 598 N LEU A 38 7.042 2.410 3.149 1.00 0.00 N ATOM 599 CA LEU A 38 7.288 0.976 3.267 1.00 0.00 C ATOM 600 C LEU A 38 8.276 0.684 4.391 1.00 0.00 C ATOM 601 O LEU A 38 9.240 1.422 4.592 1.00 0.00 O ATOM 602 CB LEU A 38 7.823 0.421 1.945 1.00 0.00 C ATOM 603 CG LEU A 38 6.772 -0.065 0.947 1.00 0.00 C ATOM 604 CD1 LEU A 38 6.104 1.115 0.258 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.402 -0.996 -0.079 1.00 0.00 C ATOM 0 H LEU A 38 7.765 2.922 2.643 1.00 0.00 H new ATOM 0 HA LEU A 38 6.343 0.488 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.421 1.195 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.495 -0.408 2.167 1.00 0.00 H new ATOM 0 HG LEU A 38 6.009 -0.620 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.359 0.750 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.619 1.745 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.855 1.698 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.640 -1.332 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.185 -0.465 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.833 -1.859 0.429 1.00 0.00 H new ATOM 617 N PHE A 39 8.029 -0.399 5.121 1.00 0.00 N ATOM 618 CA PHE A 39 8.898 -0.790 6.226 1.00 0.00 C ATOM 619 C PHE A 39 9.482 -2.180 5.992 1.00 0.00 C ATOM 620 O PHE A 39 8.776 -3.184 6.080 1.00 0.00 O ATOM 621 CB PHE A 39 8.123 -0.766 7.545 1.00 0.00 C ATOM 622 CG PHE A 39 8.115 0.581 8.210 1.00 0.00 C ATOM 623 CD1 PHE A 39 7.260 1.579 7.772 1.00 0.00 C ATOM 624 CD2 PHE A 39 8.962 0.848 9.273 1.00 0.00 C ATOM 625 CE1 PHE A 39 7.249 2.819 8.383 1.00 0.00 C ATOM 626 CE2 PHE A 39 8.956 2.086 9.888 1.00 0.00 C ATOM 627 CZ PHE A 39 8.099 3.073 9.441 1.00 0.00 C ATOM 0 H PHE A 39 7.235 -1.021 4.968 1.00 0.00 H new ATOM 0 HA PHE A 39 9.718 -0.074 6.281 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.095 -1.077 7.359 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.559 -1.497 8.227 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.594 1.386 6.944 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.635 0.080 9.625 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.576 3.588 8.033 1.00 0.00 H new ATOM 0 HE2 PHE A 39 9.620 2.281 10.717 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.094 4.042 9.918 1.00 0.00 H new ATOM 637 N GLN A 40 10.776 -2.229 5.693 1.00 0.00 N ATOM 638 CA GLN A 40 11.456 -3.495 5.445 1.00 0.00 C ATOM 639 C GLN A 40 11.069 -4.534 6.492 1.00 0.00 C ATOM 640 O GLN A 40 10.709 -5.662 6.158 1.00 0.00 O ATOM 641 CB GLN A 40 12.972 -3.293 5.445 1.00 0.00 C ATOM 642 CG GLN A 40 13.727 -4.355 4.661 1.00 0.00 C ATOM 643 CD GLN A 40 15.143 -4.554 5.164 1.00 0.00 C ATOM 644 OE1 GLN A 40 15.368 -5.233 6.166 1.00 0.00 O ATOM 645 NE2 GLN A 40 16.107 -3.963 4.468 1.00 0.00 N ATOM 0 H GLN A 40 11.375 -1.407 5.617 1.00 0.00 H new ATOM 0 HA GLN A 40 11.146 -3.860 4.466 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.200 -2.313 5.026 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.330 -3.290 6.475 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.187 -5.300 4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.755 -4.073 3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.875 -3.409 3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.080 -4.063 4.758 1.00 0.00 H new ATOM 654 N ASN A 41 11.147 -4.146 7.761 1.00 0.00 N ATOM 655 CA ASN A 41 10.806 -5.045 8.858 1.00 0.00 C ATOM 656 C ASN A 41 10.127 -4.285 9.993 1.00 0.00 C ATOM 657 O ASN A 41 10.205 -3.059 10.065 1.00 0.00 O ATOM 658 CB ASN A 41 12.061 -5.748 9.378 1.00 0.00 C ATOM 659 CG ASN A 41 12.435 -6.957 8.543 1.00 0.00 C ATOM 660 OD1 ASN A 41 12.691 -6.842 7.344 1.00 0.00 O ATOM 661 ND2 ASN A 41 12.469 -8.124 9.174 1.00 0.00 N ATOM 0 H ASN A 41 11.443 -3.215 8.055 1.00 0.00 H new ATOM 0 HA ASN A 41 10.110 -5.793 8.479 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.892 -5.043 9.384 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.899 -6.059 10.410 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.715 -8.973 8.664 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.249 -8.172 10.169 1.00 0.00 H new ATOM 755 N TYR A 48 12.285 1.786 3.448 1.00 0.00 N ATOM 756 CA TYR A 48 12.470 1.271 2.097 1.00 0.00 C ATOM 757 C TYR A 48 12.364 2.391 1.066 1.00 0.00 C ATOM 758 O TYR A 48 13.348 2.752 0.420 1.00 0.00 O ATOM 759 CB TYR A 48 11.434 0.186 1.795 1.00 0.00 C ATOM 760 CG TYR A 48 11.733 -0.605 0.542 1.00 0.00 C ATOM 761 CD1 TYR A 48 11.421 -0.098 -0.714 1.00 0.00 C ATOM 762 CD2 TYR A 48 12.327 -1.858 0.613 1.00 0.00 C ATOM 763 CE1 TYR A 48 11.691 -0.818 -1.862 1.00 0.00 C ATOM 764 CE2 TYR A 48 12.603 -2.584 -0.530 1.00 0.00 C ATOM 765 CZ TYR A 48 12.282 -2.060 -1.765 1.00 0.00 C ATOM 766 OH TYR A 48 12.554 -2.779 -2.906 1.00 0.00 O ATOM 0 HA TYR A 48 13.469 0.839 2.035 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.379 -0.498 2.642 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.453 0.650 1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.960 0.875 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.578 -2.272 1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.440 -0.410 -2.830 1.00 0.00 H new ATOM 0 HE2 TYR A 48 13.067 -3.556 -0.457 1.00 0.00 H new ATOM 0 HH TYR A 48 12.971 -3.632 -2.664 1.00 0.00 H new ATOM 776 N LYS A 49 11.163 2.938 0.919 1.00 0.00 N ATOM 777 CA LYS A 49 10.925 4.019 -0.030 1.00 0.00 C ATOM 778 C LYS A 49 9.736 4.871 0.402 1.00 0.00 C ATOM 779 O LYS A 49 9.019 4.522 1.339 1.00 0.00 O ATOM 780 CB LYS A 49 10.677 3.452 -1.430 1.00 0.00 C ATOM 781 CG LYS A 49 10.746 4.496 -2.530 1.00 0.00 C ATOM 782 CD LYS A 49 11.084 3.869 -3.873 1.00 0.00 C ATOM 783 CE LYS A 49 11.155 4.916 -4.974 1.00 0.00 C ATOM 784 NZ LYS A 49 11.320 4.297 -6.318 1.00 0.00 N ATOM 0 H LYS A 49 10.338 2.650 1.445 1.00 0.00 H new ATOM 0 HA LYS A 49 11.813 4.650 -0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.412 2.673 -1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.696 2.977 -1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.790 5.016 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.498 5.244 -2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.039 3.348 -3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.331 3.123 -4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.247 5.519 -4.961 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.989 5.591 -4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.364 5.043 -7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.199 3.742 -6.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.512 3.673 -6.514 1.00 0.00 H new ATOM 798 N GLU A 50 9.532 5.989 -0.288 1.00 0.00 N ATOM 799 CA GLU A 50 8.429 6.890 0.025 1.00 0.00 C ATOM 800 C GLU A 50 7.516 7.073 -1.184 1.00 0.00 C ATOM 801 O GLU A 50 7.964 7.480 -2.257 1.00 0.00 O ATOM 802 CB GLU A 50 8.965 8.247 0.484 1.00 0.00 C ATOM 803 CG GLU A 50 7.919 9.116 1.163 1.00 0.00 C ATOM 804 CD GLU A 50 8.475 10.452 1.617 1.00 0.00 C ATOM 805 OE1 GLU A 50 9.116 10.494 2.688 1.00 0.00 O ATOM 806 OE2 GLU A 50 8.270 11.454 0.902 1.00 0.00 O ATOM 0 H GLU A 50 10.116 6.292 -1.067 1.00 0.00 H new ATOM 0 HA GLU A 50 7.848 6.445 0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.795 8.087 1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.365 8.781 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.091 9.286 0.475 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.513 8.584 2.024 1.00 0.00 H new ATOM 813 N ILE A 51 6.236 6.769 -1.003 1.00 0.00 N ATOM 814 CA ILE A 51 5.260 6.901 -2.077 1.00 0.00 C ATOM 815 C ILE A 51 4.168 7.900 -1.709 1.00 0.00 C ATOM 816 O ILE A 51 3.159 7.555 -1.093 1.00 0.00 O ATOM 817 CB ILE A 51 4.609 5.547 -2.416 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.684 4.494 -2.694 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.679 5.690 -3.611 1.00 0.00 C ATOM 820 CD1 ILE A 51 5.142 3.085 -2.778 1.00 0.00 C ATOM 0 H ILE A 51 5.850 6.429 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 51 5.801 7.264 -2.951 1.00 0.00 H new ATOM 0 HB ILE A 51 4.020 5.220 -1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.186 4.738 -3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.437 4.539 -1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.227 4.724 -3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.896 6.412 -3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.247 6.037 -4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.959 2.392 -2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.665 2.822 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.410 3.024 -3.584 1.00 0.00 H new ATOM 832 N PRO A 52 4.371 9.168 -2.097 1.00 0.00 N ATOM 833 CA PRO A 52 3.413 10.242 -1.821 1.00 0.00 C ATOM 834 C PRO A 52 2.129 10.097 -2.630 1.00 0.00 C ATOM 835 O PRO A 52 2.164 9.755 -3.813 1.00 0.00 O ATOM 836 CB PRO A 52 4.168 11.507 -2.238 1.00 0.00 C ATOM 837 CG PRO A 52 5.157 11.040 -3.251 1.00 0.00 C ATOM 838 CD PRO A 52 5.550 9.649 -2.835 1.00 0.00 C ATOM 0 HA PRO A 52 3.093 10.244 -0.779 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.492 12.251 -2.658 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.663 11.972 -1.386 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.722 11.040 -4.250 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.025 11.698 -3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.769 9.019 -3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.442 9.654 -2.208 1.00 0.00 H new ATOM 846 N LEU A 53 0.997 10.359 -1.987 1.00 0.00 N ATOM 847 CA LEU A 53 -0.300 10.258 -2.648 1.00 0.00 C ATOM 848 C LEU A 53 -0.258 10.901 -4.030 1.00 0.00 C ATOM 849 O LEU A 53 -1.070 10.583 -4.899 1.00 0.00 O ATOM 850 CB LEU A 53 -1.382 10.924 -1.796 1.00 0.00 C ATOM 851 CG LEU A 53 -1.613 10.319 -0.411 1.00 0.00 C ATOM 852 CD1 LEU A 53 -2.512 11.219 0.422 1.00 0.00 C ATOM 853 CD2 LEU A 53 -2.213 8.926 -0.531 1.00 0.00 C ATOM 0 H LEU A 53 0.950 10.643 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.539 9.201 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.123 11.976 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.322 10.890 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.650 10.236 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.665 10.772 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.043 12.196 0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.474 11.335 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.371 8.511 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.167 8.985 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.532 8.283 -1.089 1.00 0.00 H new ATOM 865 N SER A 54 0.696 11.806 -4.228 1.00 0.00 N ATOM 866 CA SER A 54 0.843 12.495 -5.505 1.00 0.00 C ATOM 867 C SER A 54 1.401 11.554 -6.568 1.00 0.00 C ATOM 868 O SER A 54 0.819 11.399 -7.641 1.00 0.00 O ATOM 869 CB SER A 54 1.760 13.710 -5.350 1.00 0.00 C ATOM 870 OG SER A 54 1.195 14.666 -4.470 1.00 0.00 O ATOM 0 H SER A 54 1.378 12.079 -3.521 1.00 0.00 H new ATOM 0 HA SER A 54 -0.143 12.832 -5.824 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.731 13.391 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.933 14.166 -6.325 1.00 0.00 H new ATOM 0 HG SER A 54 1.801 15.432 -4.386 1.00 0.00 H new ATOM 876 N GLU A 55 2.534 10.930 -6.261 1.00 0.00 N ATOM 877 CA GLU A 55 3.172 10.005 -7.191 1.00 0.00 C ATOM 878 C GLU A 55 2.143 9.072 -7.822 1.00 0.00 C ATOM 879 O GLU A 55 2.041 8.979 -9.046 1.00 0.00 O ATOM 880 CB GLU A 55 4.247 9.187 -6.474 1.00 0.00 C ATOM 881 CG GLU A 55 5.161 8.422 -7.417 1.00 0.00 C ATOM 882 CD GLU A 55 6.043 7.423 -6.693 1.00 0.00 C ATOM 883 OE1 GLU A 55 5.501 6.444 -6.140 1.00 0.00 O ATOM 884 OE2 GLU A 55 7.276 7.622 -6.680 1.00 0.00 O ATOM 0 H GLU A 55 3.029 11.048 -5.377 1.00 0.00 H new ATOM 0 HA GLU A 55 3.639 10.590 -7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.850 9.855 -5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.764 8.481 -5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.556 7.898 -8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.789 9.128 -7.961 1.00 0.00 H new ATOM 891 N ILE A 56 1.383 8.382 -6.978 1.00 0.00 N ATOM 892 CA ILE A 56 0.362 7.456 -7.452 1.00 0.00 C ATOM 893 C ILE A 56 -0.512 8.102 -8.522 1.00 0.00 C ATOM 894 O ILE A 56 -1.482 8.795 -8.211 1.00 0.00 O ATOM 895 CB ILE A 56 -0.534 6.967 -6.299 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.309 6.271 -5.229 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.611 6.030 -6.826 1.00 0.00 C ATOM 898 CD1 ILE A 56 -0.444 6.006 -3.944 1.00 0.00 C ATOM 0 H ILE A 56 1.455 8.447 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 56 0.886 6.602 -7.881 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.021 7.830 -5.846 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.677 5.325 -5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.182 6.886 -5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.236 5.693 -5.999 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.227 6.557 -7.555 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.143 5.168 -7.302 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.215 5.511 -3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.789 6.950 -3.523 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.302 5.366 -4.150 1.00 0.00 H new ATOM 910 N LEU A 57 -0.163 7.870 -9.782 1.00 0.00 N ATOM 911 CA LEU A 57 -0.917 8.428 -10.900 1.00 0.00 C ATOM 912 C LEU A 57 -2.338 7.874 -10.929 1.00 0.00 C ATOM 913 O LEU A 57 -3.308 8.619 -10.785 1.00 0.00 O ATOM 914 CB LEU A 57 -0.211 8.120 -12.221 1.00 0.00 C ATOM 915 CG LEU A 57 1.219 8.646 -12.357 1.00 0.00 C ATOM 916 CD1 LEU A 57 2.014 7.786 -13.326 1.00 0.00 C ATOM 917 CD2 LEU A 57 1.212 10.098 -12.811 1.00 0.00 C ATOM 0 H LEU A 57 0.637 7.300 -10.056 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.970 9.509 -10.767 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.193 7.039 -12.357 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.808 8.534 -13.034 1.00 0.00 H new ATOM 0 HG LEU A 57 1.699 8.594 -11.380 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.029 8.175 -13.410 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.048 6.760 -12.958 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.536 7.805 -14.305 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.238 10.456 -12.902 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.714 10.175 -13.777 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.680 10.706 -12.079 1.00 0.00 H new ATOM 929 N ARG A 58 -2.453 6.563 -11.113 1.00 0.00 N ATOM 930 CA ARG A 58 -3.755 5.910 -11.159 1.00 0.00 C ATOM 931 C ARG A 58 -3.627 4.420 -10.853 1.00 0.00 C ATOM 932 O ARG A 58 -2.537 3.928 -10.563 1.00 0.00 O ATOM 933 CB ARG A 58 -4.399 6.105 -12.533 1.00 0.00 C ATOM 934 CG ARG A 58 -3.589 5.514 -13.675 1.00 0.00 C ATOM 935 CD ARG A 58 -4.479 5.119 -14.843 1.00 0.00 C ATOM 936 NE ARG A 58 -3.769 5.182 -16.118 1.00 0.00 N ATOM 937 CZ ARG A 58 -3.328 6.313 -16.659 1.00 0.00 C ATOM 938 NH1 ARG A 58 -3.523 7.468 -16.039 1.00 0.00 N ATOM 939 NH2 ARG A 58 -2.690 6.289 -17.822 1.00 0.00 N ATOM 0 H ARG A 58 -1.660 5.932 -11.233 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.389 6.367 -10.399 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.390 5.650 -12.528 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.538 7.171 -12.711 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.848 6.239 -14.010 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.042 4.640 -13.321 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.855 4.108 -14.687 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.346 5.779 -14.878 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.603 4.310 -16.621 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.013 7.490 -15.144 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.184 8.335 -16.456 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.538 5.402 -18.302 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.352 7.158 -18.236 1.00 0.00 H new ATOM 953 N ILE A 59 -4.748 3.709 -10.919 1.00 0.00 N ATOM 954 CA ILE A 59 -4.761 2.277 -10.650 1.00 0.00 C ATOM 955 C ILE A 59 -4.938 1.477 -11.936 1.00 0.00 C ATOM 956 O ILE A 59 -5.570 1.940 -12.885 1.00 0.00 O ATOM 957 CB ILE A 59 -5.883 1.899 -9.665 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.692 2.632 -8.335 1.00 0.00 C ATOM 959 CG2 ILE A 59 -5.912 0.394 -9.447 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.456 2.200 -7.579 1.00 0.00 C ATOM 0 H ILE A 59 -5.659 4.102 -11.157 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.798 2.032 -10.202 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.839 2.203 -10.092 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.636 3.704 -8.525 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.568 2.465 -7.708 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.710 0.143 -8.749 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.091 -0.108 -10.398 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.956 0.067 -9.038 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.385 2.761 -6.647 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.519 1.135 -7.357 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.572 2.393 -8.187 1.00 0.00 H new ATOM 972 N SER A 60 -4.376 0.273 -11.959 1.00 0.00 N ATOM 973 CA SER A 60 -4.470 -0.592 -13.130 1.00 0.00 C ATOM 974 C SER A 60 -5.811 -1.318 -13.163 1.00 0.00 C ATOM 975 O SER A 60 -6.662 -1.112 -12.298 1.00 0.00 O ATOM 976 CB SER A 60 -3.326 -1.608 -13.133 1.00 0.00 C ATOM 977 OG SER A 60 -3.129 -2.151 -14.427 1.00 0.00 O ATOM 0 H SER A 60 -3.851 -0.126 -11.181 1.00 0.00 H new ATOM 0 HA SER A 60 -4.393 0.033 -14.020 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.408 -1.128 -12.793 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.546 -2.410 -12.428 1.00 0.00 H new ATOM 0 HG SER A 60 -2.519 -2.916 -14.371 1.00 0.00 H new ATOM 1185 N HIS A 75 -3.541 -10.936 -9.013 1.00 0.00 N ATOM 1186 CA HIS A 75 -3.558 -9.688 -8.258 1.00 0.00 C ATOM 1187 C HIS A 75 -4.945 -9.052 -8.293 1.00 0.00 C ATOM 1188 O HIS A 75 -5.817 -9.481 -9.049 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.522 -8.713 -8.819 1.00 0.00 C ATOM 1190 CG HIS A 75 -1.195 -8.788 -8.130 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -0.431 -9.935 -8.091 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -0.496 -7.848 -7.451 1.00 0.00 C ATOM 1193 CE1 HIS A 75 0.681 -9.698 -7.417 1.00 0.00 C ATOM 1194 NE2 HIS A 75 0.666 -8.439 -7.018 1.00 0.00 N ATOM 0 HA HIS A 75 -3.307 -9.915 -7.222 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.383 -8.915 -9.881 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.909 -7.697 -8.736 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -0.796 -6.824 -7.281 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.468 -10.412 -7.225 1.00 0.00 H new ATOM 0 HE2 HIS A 75 1.398 -7.980 -6.476 1.00 0.00 H new ATOM 1203 N CYS A 76 -5.140 -8.027 -7.471 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.421 -7.332 -7.407 1.00 0.00 C ATOM 1205 C CYS A 76 -6.295 -5.908 -7.937 1.00 0.00 C ATOM 1206 O CYS A 76 -7.203 -5.394 -8.591 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.941 -7.309 -5.969 1.00 0.00 C ATOM 1208 SG CYS A 76 -8.602 -6.616 -5.795 1.00 0.00 S ATOM 0 H CYS A 76 -4.428 -7.659 -6.840 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.130 -7.872 -8.034 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.941 -8.326 -5.578 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.251 -6.731 -5.354 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.954 -6.642 -4.544 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.162 -5.274 -7.651 1.00 0.00 N ATOM 1215 CA PHE A 77 -4.917 -3.907 -8.097 1.00 0.00 C ATOM 1216 C PHE A 77 -3.421 -3.635 -8.221 1.00 0.00 C ATOM 1217 O PHE A 77 -2.597 -4.424 -7.760 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.549 -2.910 -7.124 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.768 -2.735 -5.853 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -4.884 -3.653 -4.821 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -3.918 -1.653 -5.689 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.166 -3.495 -3.650 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -3.198 -1.491 -4.521 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.323 -2.412 -3.500 1.00 0.00 C ATOM 0 H PHE A 77 -4.399 -5.685 -7.113 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.373 -3.785 -9.079 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.645 -1.943 -7.618 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.557 -3.244 -6.878 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.543 -4.501 -4.933 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.817 -0.928 -6.483 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.264 -4.218 -2.854 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.538 -0.644 -4.407 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.762 -2.285 -2.586 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.079 -2.514 -8.848 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.682 -2.139 -9.034 1.00 0.00 C ATOM 1236 C GLU A 78 -1.501 -0.630 -8.895 1.00 0.00 C ATOM 1237 O GLU A 78 -2.422 0.143 -9.161 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.186 -2.600 -10.406 1.00 0.00 C ATOM 1239 CG GLU A 78 -1.385 -4.085 -10.658 1.00 0.00 C ATOM 1240 CD GLU A 78 -1.608 -4.403 -12.123 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -0.888 -3.833 -12.970 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.502 -5.221 -12.424 1.00 0.00 O ATOM 0 H GLU A 78 -3.749 -1.850 -9.235 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.094 -2.631 -8.259 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.707 -2.036 -11.180 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.126 -2.363 -10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.512 -4.631 -10.300 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.239 -4.437 -10.080 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.308 -0.220 -8.478 1.00 0.00 N ATOM 1250 CA ILE A 79 -0.006 1.196 -8.304 1.00 0.00 C ATOM 1251 C ILE A 79 0.971 1.684 -9.369 1.00 0.00 C ATOM 1252 O ILE A 79 2.165 1.387 -9.313 1.00 0.00 O ATOM 1253 CB ILE A 79 0.588 1.478 -6.912 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.296 0.866 -5.823 1.00 0.00 C ATOM 1255 CG2 ILE A 79 0.743 2.976 -6.696 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.311 0.940 -4.439 1.00 0.00 C ATOM 0 H ILE A 79 0.465 -0.847 -8.254 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.949 1.734 -8.404 1.00 0.00 H new ATOM 0 HB ILE A 79 1.575 1.018 -6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.258 1.378 -5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.492 -0.177 -6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.164 3.159 -5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.408 3.386 -7.456 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.232 3.457 -6.770 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.370 0.488 -3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.259 0.403 -4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.482 1.983 -4.172 1.00 0.00 H new ATOM 1268 N ILE A 80 0.455 2.434 -10.338 1.00 0.00 N ATOM 1269 CA ILE A 80 1.282 2.965 -11.414 1.00 0.00 C ATOM 1270 C ILE A 80 1.880 4.315 -11.032 1.00 0.00 C ATOM 1271 O ILE A 80 1.173 5.321 -10.959 1.00 0.00 O ATOM 1272 CB ILE A 80 0.477 3.122 -12.717 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.130 1.781 -13.132 1.00 0.00 C ATOM 1274 CG2 ILE A 80 1.364 3.674 -13.824 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.439 1.470 -12.441 1.00 0.00 C ATOM 0 H ILE A 80 -0.531 2.687 -10.399 1.00 0.00 H new ATOM 0 HA ILE A 80 2.086 2.248 -11.578 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.335 3.828 -12.542 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.289 1.782 -14.210 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.584 0.986 -12.916 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.781 3.779 -14.739 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.753 4.648 -13.527 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.194 2.990 -14.000 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.811 0.504 -12.784 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.282 1.437 -11.363 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.168 2.245 -12.678 1.00 0.00 H new ATOM 1287 N THR A 81 3.187 4.331 -10.792 1.00 0.00 N ATOM 1288 CA THR A 81 3.881 5.557 -10.419 1.00 0.00 C ATOM 1289 C THR A 81 4.613 6.160 -11.612 1.00 0.00 C ATOM 1290 O THR A 81 4.630 5.581 -12.699 1.00 0.00 O ATOM 1291 CB THR A 81 4.892 5.308 -9.284 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.863 4.340 -9.697 1.00 0.00 O ATOM 1293 CG2 THR A 81 4.186 4.820 -8.028 1.00 0.00 C ATOM 0 H THR A 81 3.787 3.508 -10.849 1.00 0.00 H new ATOM 0 HA THR A 81 3.120 6.256 -10.071 1.00 0.00 H new ATOM 0 HB THR A 81 5.391 6.250 -9.059 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.419 3.483 -9.866 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.920 4.651 -7.240 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.468 5.571 -7.699 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.664 3.888 -8.243 1.00 0.00 H new ATOM 1301 N ASP A 82 5.217 7.324 -11.404 1.00 0.00 N ATOM 1302 CA ASP A 82 5.953 8.005 -12.463 1.00 0.00 C ATOM 1303 C ASP A 82 7.214 7.230 -12.833 1.00 0.00 C ATOM 1304 O ASP A 82 7.948 7.615 -13.744 1.00 0.00 O ATOM 1305 CB ASP A 82 6.320 9.424 -12.027 1.00 0.00 C ATOM 1306 CG ASP A 82 6.442 10.377 -13.200 1.00 0.00 C ATOM 1307 OD1 ASP A 82 7.321 10.152 -14.059 1.00 0.00 O ATOM 1308 OD2 ASP A 82 5.658 11.347 -13.260 1.00 0.00 O ATOM 0 H ASP A 82 5.212 7.817 -10.511 1.00 0.00 H new ATOM 0 HA ASP A 82 5.311 8.059 -13.342 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.562 9.796 -11.337 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.264 9.401 -11.482 1.00 0.00 H new ATOM 1313 N THR A 83 7.461 6.136 -12.119 1.00 0.00 N ATOM 1314 CA THR A 83 8.634 5.308 -12.370 1.00 0.00 C ATOM 1315 C THR A 83 8.236 3.942 -12.916 1.00 0.00 C ATOM 1316 O THR A 83 8.473 3.636 -14.084 1.00 0.00 O ATOM 1317 CB THR A 83 9.469 5.114 -11.091 1.00 0.00 C ATOM 1318 OG1 THR A 83 8.633 4.644 -10.027 1.00 0.00 O ATOM 1319 CG2 THR A 83 10.138 6.417 -10.679 1.00 0.00 C ATOM 0 H THR A 83 6.864 5.803 -11.362 1.00 0.00 H new ATOM 0 HA THR A 83 9.237 5.831 -13.112 1.00 0.00 H new ATOM 0 HB THR A 83 10.244 4.375 -11.297 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.172 4.522 -9.217 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.722 6.255 -9.773 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.795 6.757 -11.479 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.376 7.173 -10.489 1.00 0.00 H new ATOM 1327 N MET A 84 7.629 3.123 -12.063 1.00 0.00 N ATOM 1328 CA MET A 84 7.196 1.789 -12.461 1.00 0.00 C ATOM 1329 C MET A 84 5.895 1.408 -11.762 1.00 0.00 C ATOM 1330 O MET A 84 5.451 2.092 -10.840 1.00 0.00 O ATOM 1331 CB MET A 84 8.282 0.760 -12.139 1.00 0.00 C ATOM 1332 CG MET A 84 9.277 0.553 -13.268 1.00 0.00 C ATOM 1333 SD MET A 84 10.588 -0.608 -12.835 1.00 0.00 S ATOM 1334 CE MET A 84 9.631 -2.076 -12.466 1.00 0.00 C ATOM 0 H MET A 84 7.426 3.360 -11.092 1.00 0.00 H new ATOM 0 HA MET A 84 7.020 1.797 -13.537 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.820 1.079 -11.246 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.809 -0.193 -11.903 1.00 0.00 H new ATOM 0 HG2 MET A 84 8.750 0.187 -14.149 1.00 0.00 H new ATOM 0 HG3 MET A 84 9.720 1.512 -13.537 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.301 -2.929 -12.354 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.077 -1.926 -11.539 1.00 0.00 H new ATOM 0 HE3 MET A 84 8.931 -2.268 -13.279 1.00 0.00 H new ATOM 1344 N VAL A 85 5.287 0.313 -12.208 1.00 0.00 N ATOM 1345 CA VAL A 85 4.037 -0.159 -11.625 1.00 0.00 C ATOM 1346 C VAL A 85 4.297 -1.132 -10.480 1.00 0.00 C ATOM 1347 O VAL A 85 5.256 -1.903 -10.513 1.00 0.00 O ATOM 1348 CB VAL A 85 3.151 -0.849 -12.679 1.00 0.00 C ATOM 1349 CG1 VAL A 85 1.940 -1.492 -12.021 1.00 0.00 C ATOM 1350 CG2 VAL A 85 2.722 0.146 -13.747 1.00 0.00 C ATOM 0 H VAL A 85 5.640 -0.264 -12.971 1.00 0.00 H new ATOM 0 HA VAL A 85 3.516 0.718 -11.241 1.00 0.00 H new ATOM 0 HB VAL A 85 3.733 -1.635 -13.159 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.326 -1.974 -12.782 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.272 -2.236 -11.297 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.353 -0.727 -11.513 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.097 -0.358 -14.484 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.157 0.955 -13.284 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.605 0.555 -14.239 1.00 0.00 H new ATOM 1360 N TYR A 86 3.437 -1.090 -9.469 1.00 0.00 N ATOM 1361 CA TYR A 86 3.574 -1.966 -8.312 1.00 0.00 C ATOM 1362 C TYR A 86 2.375 -2.901 -8.191 1.00 0.00 C ATOM 1363 O TYR A 86 1.256 -2.463 -7.921 1.00 0.00 O ATOM 1364 CB TYR A 86 3.721 -1.139 -7.034 1.00 0.00 C ATOM 1365 CG TYR A 86 4.966 -0.281 -7.007 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.218 -0.830 -7.256 1.00 0.00 C ATOM 1367 CD2 TYR A 86 4.890 1.079 -6.733 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.358 -0.050 -7.233 1.00 0.00 C ATOM 1369 CE2 TYR A 86 6.025 1.867 -6.708 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.256 1.298 -6.959 1.00 0.00 C ATOM 1371 OH TYR A 86 8.388 2.079 -6.934 1.00 0.00 O ATOM 0 H TYR A 86 2.637 -0.458 -9.427 1.00 0.00 H new ATOM 0 HA TYR A 86 4.470 -2.571 -8.451 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.846 -0.498 -6.923 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.735 -1.811 -6.176 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.301 -1.885 -7.471 1.00 0.00 H new ATOM 0 HD2 TYR A 86 3.928 1.528 -6.536 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.323 -0.493 -7.428 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.948 2.923 -6.493 1.00 0.00 H new ATOM 0 HH TYR A 86 8.142 3.005 -6.727 1.00 0.00 H new ATOM 1381 N PHE A 87 2.617 -4.192 -8.392 1.00 0.00 N ATOM 1382 CA PHE A 87 1.558 -5.191 -8.307 1.00 0.00 C ATOM 1383 C PHE A 87 1.310 -5.598 -6.857 1.00 0.00 C ATOM 1384 O PHE A 87 2.087 -6.351 -6.270 1.00 0.00 O ATOM 1385 CB PHE A 87 1.920 -6.423 -9.139 1.00 0.00 C ATOM 1386 CG PHE A 87 1.824 -6.195 -10.621 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.905 -5.698 -11.330 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.652 -6.478 -11.303 1.00 0.00 C ATOM 1389 CE1 PHE A 87 2.818 -5.486 -12.693 1.00 0.00 C ATOM 1390 CE2 PHE A 87 0.559 -6.269 -12.667 1.00 0.00 C ATOM 1391 CZ PHE A 87 1.644 -5.773 -13.363 1.00 0.00 C ATOM 0 H PHE A 87 3.537 -4.571 -8.615 1.00 0.00 H new ATOM 0 HA PHE A 87 0.644 -4.749 -8.704 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.936 -6.733 -8.892 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.260 -7.245 -8.862 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.826 -5.474 -10.812 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.199 -6.866 -10.763 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.667 -5.096 -13.234 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.361 -6.493 -13.187 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.575 -5.610 -14.428 1.00 0.00 H new ATOM 1401 N VAL A 88 0.221 -5.094 -6.285 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.131 -5.404 -4.905 1.00 0.00 C ATOM 1403 C VAL A 88 -1.348 -6.321 -4.841 1.00 0.00 C ATOM 1404 O VAL A 88 -2.358 -6.076 -5.499 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.423 -4.125 -4.099 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.522 -4.440 -2.614 1.00 0.00 C ATOM 1407 CG2 VAL A 88 0.647 -3.075 -4.360 1.00 0.00 C ATOM 0 H VAL A 88 -0.433 -4.469 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 88 0.727 -5.913 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.382 -3.722 -4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.729 -3.524 -2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.328 -5.155 -2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.420 -4.867 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.425 -2.178 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.620 -3.466 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.663 -2.828 -5.422 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.244 -7.378 -4.042 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.343 -8.316 -3.906 1.00 0.00 C ATOM 1419 C GLY A 89 -1.895 -9.758 -4.040 1.00 0.00 C ATOM 1420 O GLY A 89 -1.135 -10.096 -4.946 1.00 0.00 O ATOM 0 H GLY A 89 -0.418 -7.602 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.819 -8.175 -2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.096 -8.101 -4.664 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.366 -10.609 -3.134 1.00 0.00 N ATOM 1425 CA GLU A 90 -2.006 -12.022 -3.154 1.00 0.00 C ATOM 1426 C GLU A 90 -3.199 -12.893 -2.768 1.00 0.00 C ATOM 1427 O GLU A 90 -3.591 -12.946 -1.603 1.00 0.00 O ATOM 1428 CB GLU A 90 -0.838 -12.288 -2.203 1.00 0.00 C ATOM 1429 CG GLU A 90 -0.580 -13.764 -1.952 1.00 0.00 C ATOM 1430 CD GLU A 90 0.855 -14.046 -1.551 1.00 0.00 C ATOM 1431 OE1 GLU A 90 1.765 -13.749 -2.352 1.00 0.00 O ATOM 1432 OE2 GLU A 90 1.067 -14.565 -0.435 1.00 0.00 O ATOM 0 H GLU A 90 -2.997 -10.345 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.704 -12.279 -4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.064 -11.835 -2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.037 -11.796 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.249 -14.117 -1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.819 -14.329 -2.853 1.00 0.00 H new ATOM 1439 N ASN A 91 -3.771 -13.574 -3.756 1.00 0.00 N ATOM 1440 CA ASN A 91 -4.919 -14.442 -3.521 1.00 0.00 C ATOM 1441 C ASN A 91 -4.474 -15.883 -3.292 1.00 0.00 C ATOM 1442 O ASN A 91 -3.647 -16.413 -4.033 1.00 0.00 O ATOM 1443 CB ASN A 91 -5.885 -14.376 -4.706 1.00 0.00 C ATOM 1444 CG ASN A 91 -6.643 -13.063 -4.762 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -6.052 -11.988 -4.661 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -7.958 -13.146 -4.925 1.00 0.00 N ATOM 0 H ASN A 91 -3.458 -13.541 -4.726 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.430 -14.092 -2.624 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.328 -14.511 -5.633 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.595 -15.200 -4.638 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.521 -12.297 -4.971 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.405 -14.059 -5.004 1.00 0.00 H new ATOM 1646 N GLY A 107 -4.737 -12.006 1.247 1.00 0.00 N ATOM 1647 CA GLY A 107 -6.020 -12.376 0.679 1.00 0.00 C ATOM 1648 C GLY A 107 -6.673 -11.232 -0.070 1.00 0.00 C ATOM 1649 O GLY A 107 -6.124 -10.132 -0.141 1.00 0.00 O ATOM 0 HA2 GLY A 107 -5.885 -13.219 0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.684 -12.711 1.476 1.00 0.00 H new ATOM 1653 N LEU A 108 -7.848 -11.490 -0.633 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.577 -10.473 -1.383 1.00 0.00 C ATOM 1655 C LEU A 108 -9.214 -9.454 -0.443 1.00 0.00 C ATOM 1656 O LEU A 108 -8.907 -8.264 -0.503 1.00 0.00 O ATOM 1657 CB LEU A 108 -9.655 -11.126 -2.251 1.00 0.00 C ATOM 1658 CG LEU A 108 -10.511 -10.174 -3.087 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -9.674 -9.522 -4.177 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -11.695 -10.914 -3.692 1.00 0.00 C ATOM 0 H LEU A 108 -8.316 -12.395 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.867 -9.953 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.172 -11.834 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.315 -11.702 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.894 -9.390 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.300 -8.848 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.860 -8.958 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.262 -10.292 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.293 -10.221 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.333 -11.719 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.308 -11.333 -2.894 1.00 0.00 H new ATOM 1672 N ASP A 109 -10.099 -9.931 0.425 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.776 -9.062 1.381 1.00 0.00 C ATOM 1674 C ASP A 109 -9.833 -7.978 1.893 1.00 0.00 C ATOM 1675 O ASP A 109 -10.174 -6.795 1.895 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.315 -9.882 2.555 1.00 0.00 C ATOM 1677 CG ASP A 109 -12.509 -10.733 2.167 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -13.620 -10.176 2.046 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -12.331 -11.955 1.983 1.00 0.00 O ATOM 0 H ASP A 109 -10.364 -10.914 0.487 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.610 -8.581 0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.523 -10.525 2.939 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.599 -9.209 3.364 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.646 -8.389 2.327 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.654 -7.453 2.842 1.00 0.00 C ATOM 1686 C VAL A 110 -7.197 -6.485 1.756 1.00 0.00 C ATOM 1687 O VAL A 110 -6.960 -5.307 2.021 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.425 -8.192 3.405 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -5.776 -9.049 2.329 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.426 -7.200 3.982 1.00 0.00 C ATOM 0 H VAL A 110 -8.348 -9.364 2.332 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.133 -6.894 3.646 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.756 -8.850 4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.910 -9.563 2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.495 -9.784 1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.458 -8.415 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.564 -7.739 4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.100 -6.515 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.898 -6.634 4.785 1.00 0.00 H new ATOM 1700 N ALA A 111 -7.077 -6.990 0.533 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.652 -6.169 -0.594 1.00 0.00 C ATOM 1702 C ALA A 111 -7.659 -5.059 -0.876 1.00 0.00 C ATOM 1703 O ALA A 111 -7.280 -3.924 -1.164 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.454 -7.032 -1.831 1.00 0.00 C ATOM 0 H ALA A 111 -7.268 -7.964 0.297 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.701 -5.703 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.137 -6.406 -2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.691 -7.784 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.392 -7.525 -2.084 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.942 -5.396 -0.792 1.00 0.00 N ATOM 1711 CA GLN A 112 -10.003 -4.427 -1.040 1.00 0.00 C ATOM 1712 C GLN A 112 -9.910 -3.257 -0.066 1.00 0.00 C ATOM 1713 O GLN A 112 -10.119 -2.104 -0.443 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.373 -5.097 -0.921 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.595 -6.211 -1.931 1.00 0.00 C ATOM 1716 CD GLN A 112 -13.060 -6.417 -2.261 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -13.893 -5.547 -2.007 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -13.382 -7.572 -2.831 1.00 0.00 N ATOM 0 H GLN A 112 -9.272 -6.332 -0.554 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.881 -4.044 -2.053 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.484 -5.502 0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -12.149 -4.343 -1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.049 -5.980 -2.846 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.181 -7.140 -1.538 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.659 -8.265 -3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.353 -7.766 -3.076 1.00 0.00 H new ATOM 1727 N SER A 113 -9.596 -3.561 1.189 1.00 0.00 N ATOM 1728 CA SER A 113 -9.480 -2.535 2.219 1.00 0.00 C ATOM 1729 C SER A 113 -8.338 -1.575 1.902 1.00 0.00 C ATOM 1730 O SER A 113 -8.483 -0.359 2.025 1.00 0.00 O ATOM 1731 CB SER A 113 -9.255 -3.180 3.588 1.00 0.00 C ATOM 1732 OG SER A 113 -10.472 -3.663 4.130 1.00 0.00 O ATOM 0 H SER A 113 -9.417 -4.510 1.517 1.00 0.00 H new ATOM 0 HA SER A 113 -10.412 -1.969 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.544 -4.001 3.494 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.814 -2.452 4.269 1.00 0.00 H new ATOM 0 HG SER A 113 -10.301 -4.072 5.004 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.202 -2.131 1.495 1.00 0.00 N ATOM 1739 CA TRP A 114 -6.034 -1.325 1.161 1.00 0.00 C ATOM 1740 C TRP A 114 -6.272 -0.523 -0.114 1.00 0.00 C ATOM 1741 O TRP A 114 -6.168 0.703 -0.114 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.803 -2.218 0.994 1.00 0.00 C ATOM 1743 CG TRP A 114 -4.098 -2.505 2.285 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.278 -3.590 3.094 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -3.101 -1.693 2.915 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.454 -3.502 4.189 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.721 -2.348 4.103 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.491 -0.479 2.591 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.760 -1.827 4.965 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.538 0.038 3.448 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -1.179 -0.636 4.623 1.00 0.00 C ATOM 0 H TRP A 114 -7.065 -3.136 1.389 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.860 -0.627 1.980 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.106 -3.160 0.536 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.106 -1.739 0.306 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.967 -4.399 2.901 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.397 -4.185 4.944 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.759 0.047 1.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.483 -2.344 5.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -1.062 0.977 3.208 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.429 -0.207 5.271 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.592 -1.223 -1.197 1.00 0.00 N ATOM 1763 CA GLU A 115 -6.845 -0.574 -2.478 1.00 0.00 C ATOM 1764 C GLU A 115 -7.743 0.646 -2.302 1.00 0.00 C ATOM 1765 O GLU A 115 -7.482 1.711 -2.864 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.490 -1.559 -3.456 1.00 0.00 C ATOM 1767 CG GLU A 115 -7.831 -0.944 -4.803 1.00 0.00 C ATOM 1768 CD GLU A 115 -8.974 -1.659 -5.497 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -10.039 -1.825 -4.867 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -8.803 -2.052 -6.670 1.00 0.00 O ATOM 0 H GLU A 115 -6.682 -2.239 -1.213 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.889 -0.244 -2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.814 -2.400 -3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.399 -1.960 -3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.094 0.104 -4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -6.949 -0.969 -5.443 1.00 0.00 H new ATOM 1777 N LYS A 116 -8.804 0.485 -1.519 1.00 0.00 N ATOM 1778 CA LYS A 116 -9.742 1.572 -1.266 1.00 0.00 C ATOM 1779 C LYS A 116 -9.072 2.700 -0.489 1.00 0.00 C ATOM 1780 O LYS A 116 -9.050 3.847 -0.935 1.00 0.00 O ATOM 1781 CB LYS A 116 -10.956 1.056 -0.491 1.00 0.00 C ATOM 1782 CG LYS A 116 -11.770 0.023 -1.252 1.00 0.00 C ATOM 1783 CD LYS A 116 -12.857 0.677 -2.090 1.00 0.00 C ATOM 1784 CE LYS A 116 -13.272 -0.210 -3.253 1.00 0.00 C ATOM 1785 NZ LYS A 116 -13.920 -1.468 -2.789 1.00 0.00 N ATOM 0 H LYS A 116 -9.036 -0.389 -1.048 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.072 1.964 -2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.618 0.619 0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.600 1.898 -0.238 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -11.111 -0.557 -1.898 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -12.223 -0.676 -0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -13.724 0.887 -1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -12.499 1.634 -2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -13.960 0.336 -3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -12.396 -0.453 -3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -14.188 -2.045 -3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -13.255 -2.002 -2.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -14.770 -1.237 -2.237 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.525 2.366 0.676 1.00 0.00 N ATOM 1800 CA ALA A 117 -7.851 3.351 1.513 1.00 0.00 C ATOM 1801 C ALA A 117 -6.843 4.161 0.705 1.00 0.00 C ATOM 1802 O ALA A 117 -6.901 5.391 0.678 1.00 0.00 O ATOM 1803 CB ALA A 117 -7.161 2.665 2.683 1.00 0.00 C ATOM 0 H ALA A 117 -8.536 1.421 1.061 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.604 4.038 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.662 3.412 3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.902 2.136 3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.425 1.955 2.306 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.921 3.465 0.048 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.902 4.121 -0.761 1.00 0.00 C ATOM 1811 C ILE A 118 -5.530 5.079 -1.767 1.00 0.00 C ATOM 1812 O ILE A 118 -5.169 6.254 -1.830 1.00 0.00 O ATOM 1813 CB ILE A 118 -4.037 3.095 -1.517 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -3.262 2.222 -0.528 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -3.083 3.804 -2.467 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.623 1.008 -1.166 1.00 0.00 C ATOM 0 H ILE A 118 -5.859 2.447 0.060 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.269 4.683 -0.075 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.692 2.452 -2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.487 2.824 -0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.938 1.894 0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.479 3.066 -2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.655 4.387 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.431 4.468 -1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.091 0.436 -0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.396 0.384 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.922 1.329 -1.937 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.474 4.569 -2.551 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.155 5.379 -3.554 1.00 0.00 C ATOM 1830 C ARG A 119 -7.816 6.596 -2.913 1.00 0.00 C ATOM 1831 O ARG A 119 -7.439 7.735 -3.188 1.00 0.00 O ATOM 1832 CB ARG A 119 -8.204 4.544 -4.290 1.00 0.00 C ATOM 1833 CG ARG A 119 -8.441 4.989 -5.724 1.00 0.00 C ATOM 1834 CD ARG A 119 -9.340 4.014 -6.468 1.00 0.00 C ATOM 1835 NE ARG A 119 -9.835 4.575 -7.722 1.00 0.00 N ATOM 1836 CZ ARG A 119 -10.675 3.938 -8.531 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -11.112 2.726 -8.218 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -11.080 4.515 -9.656 1.00 0.00 N ATOM 0 H ARG A 119 -6.785 3.598 -2.511 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.410 5.726 -4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.890 3.500 -4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -9.145 4.594 -3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -8.895 5.980 -5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -7.486 5.073 -6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -8.788 3.097 -6.674 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.184 3.743 -5.834 1.00 0.00 H new ATOM 0 HE ARG A 119 -9.519 5.507 -7.992 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -10.803 2.280 -7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -11.757 2.240 -8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -10.746 5.448 -9.900 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -11.725 4.026 -10.277 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.803 6.345 -2.059 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.516 7.420 -1.381 1.00 0.00 C ATOM 1854 C GLN A 120 -8.542 8.442 -0.803 1.00 0.00 C ATOM 1855 O GLN A 120 -8.655 9.639 -1.064 1.00 0.00 O ATOM 1856 CB GLN A 120 -10.397 6.853 -0.266 1.00 0.00 C ATOM 1857 CG GLN A 120 -11.555 7.760 0.116 1.00 0.00 C ATOM 1858 CD GLN A 120 -12.400 7.188 1.237 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -12.123 6.101 1.746 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -13.438 7.918 1.629 1.00 0.00 N ATOM 0 H GLN A 120 -9.127 5.407 -1.821 1.00 0.00 H new ATOM 0 HA GLN A 120 -10.147 7.921 -2.115 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.792 5.887 -0.582 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.782 6.673 0.615 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -11.165 8.732 0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -12.184 7.928 -0.758 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -13.631 8.813 1.180 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -14.042 7.584 2.380 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.584 7.960 -0.018 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.589 8.831 0.595 1.00 0.00 C ATOM 1871 C ALA A 121 -6.196 9.964 -0.347 1.00 0.00 C ATOM 1872 O ALA A 121 -6.081 11.118 0.067 1.00 0.00 O ATOM 1873 CB ALA A 121 -5.361 8.027 0.998 1.00 0.00 C ATOM 0 H ALA A 121 -7.476 6.971 0.208 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.030 9.273 1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.626 8.690 1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.649 7.257 1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.927 7.558 0.115 1.00 0.00 H new ATOM 1879 N LEU A 122 -5.990 9.627 -1.616 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.609 10.617 -2.618 1.00 0.00 C ATOM 1881 C LEU A 122 -6.393 11.911 -2.430 1.00 0.00 C ATOM 1882 O LEU A 122 -5.811 12.987 -2.293 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.845 10.064 -4.024 1.00 0.00 C ATOM 1884 CG LEU A 122 -5.088 8.782 -4.377 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -5.639 8.173 -5.657 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -3.599 9.063 -4.516 1.00 0.00 C ATOM 0 H LEU A 122 -6.080 8.677 -1.975 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.548 10.835 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.912 9.877 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.572 10.834 -4.746 1.00 0.00 H new ATOM 0 HG LEU A 122 -5.228 8.065 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -5.089 7.262 -5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.694 7.935 -5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.530 8.885 -6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.076 8.140 -4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.439 9.797 -5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.213 9.454 -3.574 1.00 0.00 H new