USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 441 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 18 ASN : amide:sc= -5.31! C(o=-5.2!,f=-7.2!) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0.0684 USER MOD Single : A 16 MET CE :methyl 174:sc= 0 (180deg=-0.0247) USER MOD Single : A 34 SER OG : rot 170:sc= 0.761 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00192) USER MOD Single : A 45 HIS :FLIP no HD1:sc= -0.579 F(o=-1.2,f=-0.58) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0007) USER MOD Single : A 77 ASN : amide:sc= -0.0871 X(o=-0.087,f=-0.56) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -154:sc= -3.96! (180deg=-4.45!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -13.654 -9.637 -0.760 1.00 0.00 N ATOM 123 CA VAL A 12 -12.268 -9.969 -1.040 1.00 0.00 C ATOM 124 C VAL A 12 -12.014 -11.433 -0.673 1.00 0.00 C ATOM 125 O VAL A 12 -12.445 -11.895 0.382 1.00 0.00 O ATOM 126 CB VAL A 12 -11.339 -8.999 -0.307 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.877 -9.430 -0.444 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.538 -7.567 -0.806 1.00 0.00 C ATOM 0 HA VAL A 12 -12.057 -9.859 -2.104 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.597 -9.023 0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.238 -8.724 0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.750 -10.425 -0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.600 -9.449 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.866 -6.898 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.321 -7.520 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.570 -7.261 -0.632 1.00 0.00 H new ATOM 138 N PRO A 13 -11.297 -12.139 -1.588 1.00 0.00 N ATOM 139 CA PRO A 13 -10.981 -13.540 -1.371 1.00 0.00 C ATOM 140 C PRO A 13 -9.872 -13.697 -0.329 1.00 0.00 C ATOM 141 O PRO A 13 -9.426 -12.714 0.261 1.00 0.00 O ATOM 142 CB PRO A 13 -10.590 -14.072 -2.740 1.00 0.00 C ATOM 143 CG PRO A 13 -10.252 -12.851 -3.581 1.00 0.00 C ATOM 144 CD PRO A 13 -10.770 -11.623 -2.849 1.00 0.00 C ATOM 0 HA PRO A 13 -11.822 -14.103 -0.965 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.736 -14.745 -2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.407 -14.640 -3.186 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.175 -12.779 -3.733 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.709 -12.928 -4.568 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.974 -10.898 -2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.545 -11.116 -3.424 1.00 0.00 H new ATOM 152 N ALA A 14 -9.458 -14.941 -0.135 1.00 0.00 N ATOM 153 CA ALA A 14 -8.409 -15.239 0.825 1.00 0.00 C ATOM 154 C ALA A 14 -7.100 -15.506 0.078 1.00 0.00 C ATOM 155 O ALA A 14 -6.083 -15.821 0.694 1.00 0.00 O ATOM 156 CB ALA A 14 -8.835 -16.423 1.695 1.00 0.00 C ATOM 0 H ALA A 14 -9.830 -15.754 -0.626 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.243 -14.390 1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.048 -16.647 2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.753 -16.172 2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.008 -17.295 1.064 1.00 0.00 H new ATOM 162 N ASP A 15 -7.169 -15.370 -1.238 1.00 0.00 N ATOM 163 CA ASP A 15 -6.003 -15.593 -2.075 1.00 0.00 C ATOM 164 C ASP A 15 -5.425 -14.243 -2.507 1.00 0.00 C ATOM 165 O ASP A 15 -4.236 -14.139 -2.804 1.00 0.00 O ATOM 166 CB ASP A 15 -6.372 -16.374 -3.338 1.00 0.00 C ATOM 167 CG ASP A 15 -5.270 -17.288 -3.878 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.599 -17.925 -3.038 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.123 -17.328 -5.118 1.00 0.00 O ATOM 0 H ASP A 15 -8.014 -15.108 -1.745 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.277 -16.165 -1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.254 -16.979 -3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.649 -15.665 -4.118 1.00 0.00 H new ATOM 174 N MET A 16 -6.294 -13.243 -2.527 1.00 0.00 N ATOM 175 CA MET A 16 -5.885 -11.904 -2.917 1.00 0.00 C ATOM 176 C MET A 16 -5.799 -10.981 -1.700 1.00 0.00 C ATOM 177 O MET A 16 -6.304 -11.312 -0.629 1.00 0.00 O ATOM 178 CB MET A 16 -6.890 -11.335 -3.921 1.00 0.00 C ATOM 179 CG MET A 16 -6.953 -12.199 -5.182 1.00 0.00 C ATOM 180 SD MET A 16 -7.410 -11.196 -6.586 1.00 0.00 S ATOM 181 CE MET A 16 -5.810 -10.545 -7.036 1.00 0.00 C ATOM 0 H MET A 16 -7.279 -13.333 -2.280 1.00 0.00 H new ATOM 0 HA MET A 16 -4.897 -11.964 -3.374 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.877 -11.282 -3.462 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.607 -10.317 -4.187 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.986 -12.669 -5.360 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.678 -13.002 -5.047 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.895 -9.979 -7.964 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.448 -9.890 -6.243 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.109 -11.368 -7.176 1.00 0.00 H new ATOM 191 N ILE A 17 -5.157 -9.840 -1.907 1.00 0.00 N ATOM 192 CA ILE A 17 -4.999 -8.867 -0.840 1.00 0.00 C ATOM 193 C ILE A 17 -5.641 -7.544 -1.264 1.00 0.00 C ATOM 194 O ILE A 17 -5.240 -6.947 -2.262 1.00 0.00 O ATOM 195 CB ILE A 17 -3.526 -8.737 -0.447 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.954 -10.088 -0.013 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.338 -7.664 0.628 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.500 -10.238 -0.466 1.00 0.00 C ATOM 0 H ILE A 17 -4.741 -9.568 -2.798 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.517 -9.200 0.059 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.965 -8.416 -1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.012 -10.180 1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.555 -10.894 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.282 -7.592 0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.684 -6.703 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.914 -7.932 1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.117 -11.207 -0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.449 -10.169 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.897 -9.445 -0.023 1.00 0.00 H new ATOM 210 N ASN A 18 -6.627 -7.125 -0.484 1.00 0.00 N ATOM 211 CA ASN A 18 -7.328 -5.884 -0.767 1.00 0.00 C ATOM 212 C ASN A 18 -6.458 -4.702 -0.333 1.00 0.00 C ATOM 213 O ASN A 18 -6.073 -4.604 0.831 1.00 0.00 O ATOM 214 CB ASN A 18 -8.647 -5.808 0.005 1.00 0.00 C ATOM 215 CG ASN A 18 -9.749 -5.182 -0.852 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.772 -5.304 -2.065 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.659 -4.508 -0.155 1.00 0.00 N ATOM 0 H ASN A 18 -6.957 -7.623 0.343 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.534 -5.849 -1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.948 -6.808 0.317 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.508 -5.219 0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.436 -4.054 -0.635 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.580 -4.445 0.860 1.00 0.00 H new ATOM 224 N LEU A 19 -6.175 -3.834 -1.293 1.00 0.00 N ATOM 225 CA LEU A 19 -5.358 -2.662 -1.025 1.00 0.00 C ATOM 226 C LEU A 19 -6.215 -1.404 -1.171 1.00 0.00 C ATOM 227 O LEU A 19 -7.048 -1.317 -2.073 1.00 0.00 O ATOM 228 CB LEU A 19 -4.111 -2.664 -1.913 1.00 0.00 C ATOM 229 CG LEU A 19 -2.908 -3.443 -1.378 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.147 -2.626 -0.331 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.335 -4.810 -0.839 1.00 0.00 C ATOM 0 H LEU A 19 -6.497 -3.918 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.991 -2.680 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.382 -3.076 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.805 -1.631 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.223 -3.623 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.297 -3.203 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.791 -1.699 -0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.811 -2.393 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.461 -5.343 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.051 -4.674 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.798 -5.388 -1.639 1.00 0.00 H new ATOM 243 N ARG A 20 -5.982 -0.460 -0.271 1.00 0.00 N ATOM 244 CA ARG A 20 -6.722 0.790 -0.289 1.00 0.00 C ATOM 245 C ARG A 20 -5.866 1.907 -0.889 1.00 0.00 C ATOM 246 O ARG A 20 -4.918 2.374 -0.259 1.00 0.00 O ATOM 247 CB ARG A 20 -7.157 1.193 1.122 1.00 0.00 C ATOM 248 CG ARG A 20 -8.281 2.230 1.075 1.00 0.00 C ATOM 249 CD ARG A 20 -9.000 2.321 2.422 1.00 0.00 C ATOM 250 NE ARG A 20 -10.427 1.967 2.259 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.255 1.692 3.276 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.802 1.730 4.537 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.535 1.380 3.034 1.00 0.00 N ATOM 0 H ARG A 20 -5.291 -0.536 0.475 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.610 0.639 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.493 0.312 1.668 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.305 1.600 1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.870 3.205 0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.994 1.963 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.530 1.649 3.140 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.911 3.330 2.824 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.805 1.930 1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.828 1.968 4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.432 1.521 5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.880 1.352 2.075 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.164 1.171 3.809 1.00 0.00 H new ATOM 267 N LEU A 21 -6.230 2.302 -2.100 1.00 0.00 N ATOM 268 CA LEU A 21 -5.506 3.355 -2.793 1.00 0.00 C ATOM 269 C LEU A 21 -6.128 4.709 -2.445 1.00 0.00 C ATOM 270 O LEU A 21 -7.208 5.043 -2.930 1.00 0.00 O ATOM 271 CB LEU A 21 -5.453 3.070 -4.295 1.00 0.00 C ATOM 272 CG LEU A 21 -4.384 2.074 -4.751 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.991 2.703 -4.697 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.461 0.778 -3.942 1.00 0.00 C ATOM 0 H LEU A 21 -7.017 1.912 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.468 3.386 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.428 2.696 -4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.290 4.012 -4.818 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.580 1.815 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.250 1.975 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.959 3.574 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.770 3.010 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.691 0.088 -4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.305 0.998 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.442 0.323 -4.077 1.00 0.00 H new ATOM 286 N ILE A 22 -5.420 5.452 -1.608 1.00 0.00 N ATOM 287 CA ILE A 22 -5.889 6.762 -1.190 1.00 0.00 C ATOM 288 C ILE A 22 -5.325 7.826 -2.134 1.00 0.00 C ATOM 289 O ILE A 22 -4.167 7.750 -2.540 1.00 0.00 O ATOM 290 CB ILE A 22 -5.553 7.007 0.283 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.019 5.838 1.153 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.126 8.342 0.761 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.302 5.841 2.505 1.00 0.00 C ATOM 0 H ILE A 22 -4.525 5.172 -1.208 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.975 6.817 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.469 7.069 0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.096 5.902 1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.827 4.897 0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.873 8.492 1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.704 9.153 0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.210 8.335 0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.651 5.000 3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.227 5.752 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.516 6.773 3.028 1.00 0.00 H new ATOM 416 N GLU A 30 -10.788 0.501 -3.415 1.00 0.00 N ATOM 417 CA GLU A 30 -10.303 -0.811 -3.023 1.00 0.00 C ATOM 418 C GLU A 30 -9.857 -1.602 -4.255 1.00 0.00 C ATOM 419 O GLU A 30 -10.632 -1.786 -5.192 1.00 0.00 O ATOM 420 CB GLU A 30 -11.368 -1.577 -2.236 1.00 0.00 C ATOM 421 CG GLU A 30 -11.631 -0.915 -0.882 1.00 0.00 C ATOM 422 CD GLU A 30 -12.801 -1.587 -0.161 1.00 0.00 C ATOM 423 OE1 GLU A 30 -12.591 -2.718 0.329 1.00 0.00 O ATOM 424 OE2 GLU A 30 -13.879 -0.956 -0.116 1.00 0.00 O ATOM 0 HA GLU A 30 -9.441 -0.678 -2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.293 -1.616 -2.812 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.043 -2.606 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.735 -0.975 -0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.848 0.143 -1.027 1.00 0.00 H new ATOM 431 N PHE A 31 -8.611 -2.049 -4.213 1.00 0.00 N ATOM 432 CA PHE A 31 -8.053 -2.815 -5.314 1.00 0.00 C ATOM 433 C PHE A 31 -7.702 -4.237 -4.870 1.00 0.00 C ATOM 434 O PHE A 31 -7.869 -4.585 -3.702 1.00 0.00 O ATOM 435 CB PHE A 31 -6.773 -2.101 -5.753 1.00 0.00 C ATOM 436 CG PHE A 31 -7.015 -0.898 -6.668 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.192 0.339 -6.132 1.00 0.00 C ATOM 438 CD2 PHE A 31 -7.053 -1.067 -8.017 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.417 1.455 -6.981 1.00 0.00 C ATOM 440 CE2 PHE A 31 -7.277 0.049 -8.866 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.455 1.287 -8.330 1.00 0.00 C ATOM 0 H PHE A 31 -7.972 -1.895 -3.433 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.779 -2.884 -6.124 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.233 -1.768 -4.867 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.130 -2.814 -6.269 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.161 0.473 -5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.913 -2.050 -8.442 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.558 2.437 -6.555 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.306 -0.085 -9.937 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.626 2.136 -8.976 1.00 0.00 H new ATOM 451 N LEU A 32 -7.221 -5.019 -5.825 1.00 0.00 N ATOM 452 CA LEU A 32 -6.845 -6.395 -5.547 1.00 0.00 C ATOM 453 C LEU A 32 -5.461 -6.670 -6.138 1.00 0.00 C ATOM 454 O LEU A 32 -5.177 -6.282 -7.270 1.00 0.00 O ATOM 455 CB LEU A 32 -7.927 -7.357 -6.041 1.00 0.00 C ATOM 456 CG LEU A 32 -9.187 -7.449 -5.179 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.448 -7.439 -6.046 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.134 -8.672 -4.260 1.00 0.00 C ATOM 0 H LEU A 32 -7.083 -4.726 -6.792 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.772 -6.560 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.220 -7.057 -7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.491 -8.353 -6.120 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.229 -6.567 -4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.329 -7.505 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.486 -6.514 -6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.428 -8.290 -6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.042 -8.714 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.056 -9.577 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.267 -8.597 -3.604 1.00 0.00 H new ATOM 470 N PHE A 33 -4.636 -7.338 -5.345 1.00 0.00 N ATOM 471 CA PHE A 33 -3.289 -7.670 -5.775 1.00 0.00 C ATOM 472 C PHE A 33 -2.886 -9.064 -5.292 1.00 0.00 C ATOM 473 O PHE A 33 -3.540 -9.636 -4.420 1.00 0.00 O ATOM 474 CB PHE A 33 -2.351 -6.635 -5.149 1.00 0.00 C ATOM 475 CG PHE A 33 -2.601 -5.202 -5.623 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.393 -4.871 -6.926 1.00 0.00 C ATOM 477 CD2 PHE A 33 -3.030 -4.259 -4.742 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.624 -3.541 -7.365 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.261 -2.929 -5.182 1.00 0.00 C ATOM 480 CZ PHE A 33 -3.053 -2.598 -6.484 1.00 0.00 C ATOM 0 H PHE A 33 -4.875 -7.658 -4.407 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.235 -7.663 -6.864 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.457 -6.672 -4.065 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.321 -6.908 -5.378 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.052 -5.620 -7.626 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.195 -4.522 -3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.459 -3.278 -8.399 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.602 -2.180 -4.482 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.228 -1.586 -6.819 1.00 0.00 H new ATOM 490 N SER A 34 -1.812 -9.572 -5.878 1.00 0.00 N ATOM 491 CA SER A 34 -1.314 -10.889 -5.518 1.00 0.00 C ATOM 492 C SER A 34 -0.107 -10.755 -4.587 1.00 0.00 C ATOM 493 O SER A 34 0.554 -9.719 -4.567 1.00 0.00 O ATOM 494 CB SER A 34 -0.938 -11.695 -6.762 1.00 0.00 C ATOM 495 OG SER A 34 0.329 -12.331 -6.623 1.00 0.00 O ATOM 0 H SER A 34 -1.272 -9.095 -6.600 1.00 0.00 H new ATOM 0 HA SER A 34 -2.108 -11.425 -4.998 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.703 -12.448 -6.951 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.919 -11.035 -7.629 1.00 0.00 H new ATOM 0 HG SER A 34 0.462 -12.961 -7.362 1.00 0.00 H new ATOM 501 N PRO A 35 0.149 -11.848 -3.818 1.00 0.00 N ATOM 502 CA PRO A 35 1.265 -11.863 -2.887 1.00 0.00 C ATOM 503 C PRO A 35 2.594 -12.028 -3.627 1.00 0.00 C ATOM 504 O PRO A 35 3.660 -11.972 -3.015 1.00 0.00 O ATOM 505 CB PRO A 35 0.968 -13.010 -1.936 1.00 0.00 C ATOM 506 CG PRO A 35 -0.056 -13.884 -2.643 1.00 0.00 C ATOM 507 CD PRO A 35 -0.613 -13.093 -3.815 1.00 0.00 C ATOM 0 HA PRO A 35 1.369 -10.926 -2.339 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.873 -13.574 -1.710 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.578 -12.640 -0.988 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.406 -14.808 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.856 -14.166 -1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.490 -13.635 -4.753 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.680 -12.904 -3.694 1.00 0.00 H new ATOM 515 N ASN A 36 2.487 -12.228 -4.932 1.00 0.00 N ATOM 516 CA ASN A 36 3.667 -12.402 -5.762 1.00 0.00 C ATOM 517 C ASN A 36 3.890 -11.138 -6.595 1.00 0.00 C ATOM 518 O ASN A 36 4.846 -11.059 -7.365 1.00 0.00 O ATOM 519 CB ASN A 36 3.495 -13.579 -6.724 1.00 0.00 C ATOM 520 CG ASN A 36 3.454 -14.906 -5.965 1.00 0.00 C ATOM 521 OD1 ASN A 36 3.958 -15.037 -4.862 1.00 0.00 O ATOM 522 ND2 ASN A 36 2.826 -15.882 -6.616 1.00 0.00 N ATOM 0 H ASN A 36 1.601 -12.273 -5.435 1.00 0.00 H new ATOM 0 HA ASN A 36 4.516 -12.594 -5.106 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.575 -13.455 -7.296 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.317 -13.591 -7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.745 -16.807 -6.193 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.426 -15.705 -7.538 1.00 0.00 H new ATOM 529 N ASP A 37 2.992 -10.181 -6.412 1.00 0.00 N ATOM 530 CA ASP A 37 3.079 -8.925 -7.138 1.00 0.00 C ATOM 531 C ASP A 37 3.956 -7.948 -6.352 1.00 0.00 C ATOM 532 O ASP A 37 3.898 -7.905 -5.124 1.00 0.00 O ATOM 533 CB ASP A 37 1.698 -8.290 -7.307 1.00 0.00 C ATOM 534 CG ASP A 37 0.842 -8.891 -8.424 1.00 0.00 C ATOM 535 OD1 ASP A 37 1.249 -9.953 -8.942 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.199 -8.273 -8.736 1.00 0.00 O ATOM 0 H ASP A 37 2.201 -10.250 -5.772 1.00 0.00 H new ATOM 0 HA ASP A 37 3.503 -9.131 -8.121 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.156 -8.380 -6.366 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.826 -7.225 -7.501 1.00 0.00 H new ATOM 541 N SER A 38 4.748 -7.187 -7.093 1.00 0.00 N ATOM 542 CA SER A 38 5.636 -6.212 -6.482 1.00 0.00 C ATOM 543 C SER A 38 4.984 -4.828 -6.499 1.00 0.00 C ATOM 544 O SER A 38 3.987 -4.616 -7.187 1.00 0.00 O ATOM 545 CB SER A 38 6.987 -6.172 -7.199 1.00 0.00 C ATOM 546 OG SER A 38 6.887 -5.584 -8.493 1.00 0.00 O ATOM 0 H SER A 38 4.793 -7.226 -8.111 1.00 0.00 H new ATOM 0 HA SER A 38 5.813 -6.510 -5.449 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.700 -5.607 -6.598 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.379 -7.185 -7.290 1.00 0.00 H new ATOM 0 HG SER A 38 7.770 -5.575 -8.918 1.00 0.00 H new ATOM 552 N ALA A 39 5.575 -3.922 -5.733 1.00 0.00 N ATOM 553 CA ALA A 39 5.065 -2.564 -5.652 1.00 0.00 C ATOM 554 C ALA A 39 4.792 -2.041 -7.063 1.00 0.00 C ATOM 555 O ALA A 39 3.688 -1.586 -7.358 1.00 0.00 O ATOM 556 CB ALA A 39 6.060 -1.689 -4.888 1.00 0.00 C ATOM 0 H ALA A 39 6.402 -4.102 -5.163 1.00 0.00 H new ATOM 0 HA ALA A 39 4.123 -2.540 -5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.677 -0.670 -4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.196 -2.086 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.017 -1.686 -5.409 1.00 0.00 H new ATOM 562 N SER A 40 5.818 -2.121 -7.898 1.00 0.00 N ATOM 563 CA SER A 40 5.703 -1.661 -9.272 1.00 0.00 C ATOM 564 C SER A 40 4.386 -2.150 -9.878 1.00 0.00 C ATOM 565 O SER A 40 3.591 -1.350 -10.370 1.00 0.00 O ATOM 566 CB SER A 40 6.886 -2.142 -10.114 1.00 0.00 C ATOM 567 OG SER A 40 6.688 -1.892 -11.503 1.00 0.00 O ATOM 0 H SER A 40 6.733 -2.498 -7.650 1.00 0.00 H new ATOM 0 HA SER A 40 5.713 -0.571 -9.271 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.795 -1.641 -9.781 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.034 -3.210 -9.955 1.00 0.00 H new ATOM 0 HG SER A 40 7.465 -2.212 -12.007 1.00 0.00 H new ATOM 573 N ASP A 41 4.196 -3.460 -9.824 1.00 0.00 N ATOM 574 CA ASP A 41 2.989 -4.064 -10.362 1.00 0.00 C ATOM 575 C ASP A 41 1.768 -3.295 -9.853 1.00 0.00 C ATOM 576 O ASP A 41 0.838 -3.027 -10.611 1.00 0.00 O ATOM 577 CB ASP A 41 2.853 -5.519 -9.911 1.00 0.00 C ATOM 578 CG ASP A 41 2.424 -6.498 -11.006 1.00 0.00 C ATOM 579 OD1 ASP A 41 1.331 -6.274 -11.571 1.00 0.00 O ATOM 580 OD2 ASP A 41 3.197 -7.449 -11.253 1.00 0.00 O ATOM 0 H ASP A 41 4.858 -4.120 -9.416 1.00 0.00 H new ATOM 0 HA ASP A 41 3.050 -4.028 -11.450 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.809 -5.848 -9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.128 -5.566 -9.098 1.00 0.00 H new ATOM 585 N ILE A 42 1.811 -2.963 -8.571 1.00 0.00 N ATOM 586 CA ILE A 42 0.719 -2.231 -7.951 1.00 0.00 C ATOM 587 C ILE A 42 0.653 -0.823 -8.546 1.00 0.00 C ATOM 588 O ILE A 42 -0.284 -0.496 -9.272 1.00 0.00 O ATOM 589 CB ILE A 42 0.859 -2.249 -6.427 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.744 -3.674 -5.883 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.148 -1.302 -5.773 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.194 -3.741 -4.422 1.00 0.00 C ATOM 0 H ILE A 42 2.584 -3.187 -7.945 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.234 -2.714 -8.166 1.00 0.00 H new ATOM 0 HB ILE A 42 1.854 -1.886 -6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.287 -4.017 -5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.353 -4.348 -6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.027 -1.334 -4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.025 -0.286 -6.128 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.160 -1.610 -6.034 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.102 -4.765 -4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.233 -3.421 -4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.567 -3.085 -3.818 1.00 0.00 H new ATOM 604 N ALA A 43 1.660 -0.027 -8.216 1.00 0.00 N ATOM 605 CA ALA A 43 1.728 1.338 -8.708 1.00 0.00 C ATOM 606 C ALA A 43 1.282 1.370 -10.172 1.00 0.00 C ATOM 607 O ALA A 43 0.447 2.190 -10.552 1.00 0.00 O ATOM 608 CB ALA A 43 3.146 1.879 -8.519 1.00 0.00 C ATOM 0 H ALA A 43 2.436 -0.302 -7.613 1.00 0.00 H new ATOM 0 HA ALA A 43 1.055 1.984 -8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.197 2.903 -8.888 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.404 1.862 -7.460 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.849 1.258 -9.074 1.00 0.00 H new ATOM 614 N LYS A 44 1.858 0.468 -10.953 1.00 0.00 N ATOM 615 CA LYS A 44 1.531 0.383 -12.366 1.00 0.00 C ATOM 616 C LYS A 44 0.062 -0.016 -12.521 1.00 0.00 C ATOM 617 O LYS A 44 -0.700 0.664 -13.206 1.00 0.00 O ATOM 618 CB LYS A 44 2.503 -0.555 -13.085 1.00 0.00 C ATOM 619 CG LYS A 44 3.753 0.198 -13.543 1.00 0.00 C ATOM 620 CD LYS A 44 3.572 0.755 -14.956 1.00 0.00 C ATOM 621 CE LYS A 44 4.803 1.551 -15.395 1.00 0.00 C ATOM 622 NZ LYS A 44 5.911 0.636 -15.750 1.00 0.00 N ATOM 0 H LYS A 44 2.549 -0.211 -10.634 1.00 0.00 H new ATOM 0 HA LYS A 44 1.650 1.355 -12.845 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.788 -1.369 -12.419 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.009 -1.006 -13.946 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.964 1.014 -12.851 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.613 -0.471 -13.520 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.397 -0.064 -15.654 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.690 1.395 -14.988 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.552 2.178 -16.251 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.117 2.218 -14.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.733 1.191 -16.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.172 0.068 -14.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.607 0.005 -16.519 1.00 0.00 H new ATOM 636 N HIS A 45 -0.291 -1.117 -11.874 1.00 0.00 N ATOM 637 CA HIS A 45 -1.654 -1.615 -11.932 1.00 0.00 C ATOM 638 C HIS A 45 -2.632 -0.440 -11.870 1.00 0.00 C ATOM 639 O HIS A 45 -3.478 -0.284 -12.750 1.00 0.00 O ATOM 640 CB HIS A 45 -1.902 -2.651 -10.834 1.00 0.00 C ATOM 641 CG HIS A 45 -3.343 -3.083 -10.711 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.450 -2.392 -10.313 1.00 0.00 N flip ATOM 643 CD2 HIS A 45 -3.771 -4.364 -11.014 1.00 0.00 C flip ATOM 644 CE1 HIS A 45 -5.497 -3.205 -10.372 1.00 0.00 C flip ATOM 645 NE2 HIS A 45 -5.078 -4.429 -10.806 1.00 0.00 N flip ATOM 0 H HIS A 45 0.344 -1.678 -11.307 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.817 -2.130 -12.879 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.286 -3.528 -11.031 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.574 -2.239 -9.880 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.146 -5.173 -11.361 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.513 -2.941 -10.118 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.667 -5.250 -10.946 1.00 0.00 H new ATOM 997 N LEU A 67 5.532 3.946 -3.106 1.00 0.00 N ATOM 998 CA LEU A 67 4.290 3.633 -2.421 1.00 0.00 C ATOM 999 C LEU A 67 4.511 3.722 -0.909 1.00 0.00 C ATOM 1000 O LEU A 67 5.389 3.053 -0.366 1.00 0.00 O ATOM 1001 CB LEU A 67 3.748 2.279 -2.884 1.00 0.00 C ATOM 1002 CG LEU A 67 3.355 1.300 -1.777 1.00 0.00 C ATOM 1003 CD1 LEU A 67 2.114 1.789 -1.028 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.167 -0.112 -2.336 1.00 0.00 C ATOM 0 HA LEU A 67 3.521 4.362 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.875 2.455 -3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.502 1.804 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 67 4.170 1.255 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.856 1.075 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.320 2.760 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.281 1.881 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.888 -0.789 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.380 -0.103 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.099 -0.451 -2.788 1.00 0.00 H new ATOM 1016 N ILE A 68 3.699 4.554 -0.273 1.00 0.00 N ATOM 1017 CA ILE A 68 3.794 4.739 1.165 1.00 0.00 C ATOM 1018 C ILE A 68 2.803 3.804 1.862 1.00 0.00 C ATOM 1019 O ILE A 68 1.674 3.638 1.404 1.00 0.00 O ATOM 1020 CB ILE A 68 3.610 6.213 1.529 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.741 7.066 0.951 1.00 0.00 C ATOM 1022 CG2 ILE A 68 3.474 6.392 3.043 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.292 7.778 -0.327 1.00 0.00 C ATOM 0 H ILE A 68 2.972 5.107 -0.727 1.00 0.00 H new ATOM 0 HA ILE A 68 4.789 4.470 1.519 1.00 0.00 H new ATOM 0 HB ILE A 68 2.681 6.562 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.060 7.802 1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.604 6.435 0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.344 7.449 3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.608 5.834 3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.373 6.020 3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.114 8.378 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.997 7.038 -1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.445 8.426 -0.104 1.00 0.00 H new ATOM 1035 N TYR A 69 3.261 3.220 2.959 1.00 0.00 N ATOM 1036 CA TYR A 69 2.429 2.307 3.724 1.00 0.00 C ATOM 1037 C TYR A 69 2.642 2.499 5.227 1.00 0.00 C ATOM 1038 O TYR A 69 3.752 2.322 5.728 1.00 0.00 O ATOM 1039 CB TYR A 69 2.879 0.898 3.333 1.00 0.00 C ATOM 1040 CG TYR A 69 2.177 -0.218 4.110 1.00 0.00 C ATOM 1041 CD1 TYR A 69 0.909 -0.015 4.614 1.00 0.00 C ATOM 1042 CD2 TYR A 69 2.813 -1.427 4.307 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.248 -1.065 5.345 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.152 -2.477 5.038 1.00 0.00 C ATOM 1045 CZ TYR A 69 0.902 -2.244 5.521 1.00 0.00 C ATOM 1046 OH TYR A 69 0.278 -3.236 6.212 1.00 0.00 O ATOM 0 H TYR A 69 4.198 3.361 3.337 1.00 0.00 H new ATOM 0 HA TYR A 69 1.374 2.482 3.514 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.700 0.753 2.268 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.954 0.815 3.490 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.412 0.931 4.460 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.806 -1.586 3.913 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.745 -0.919 5.744 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.638 -3.428 5.199 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.691 -3.161 6.088 1.00 0.00 H new ATOM 1056 N GLN A 70 1.562 2.858 5.904 1.00 0.00 N ATOM 1057 CA GLN A 70 1.616 3.075 7.340 1.00 0.00 C ATOM 1058 C GLN A 70 2.458 4.313 7.657 1.00 0.00 C ATOM 1059 O GLN A 70 2.781 4.568 8.816 1.00 0.00 O ATOM 1060 CB GLN A 70 2.161 1.841 8.061 1.00 0.00 C ATOM 1061 CG GLN A 70 1.024 0.992 8.632 1.00 0.00 C ATOM 1062 CD GLN A 70 1.360 0.500 10.041 1.00 0.00 C ATOM 1063 OE1 GLN A 70 2.288 -0.263 10.255 1.00 0.00 O ATOM 1064 NE2 GLN A 70 0.557 0.978 10.987 1.00 0.00 N ATOM 0 H GLN A 70 0.644 3.004 5.485 1.00 0.00 H new ATOM 0 HA GLN A 70 0.602 3.247 7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.753 1.243 7.368 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.828 2.151 8.866 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.105 1.578 8.657 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.840 0.139 7.979 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.201 1.613 10.739 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.700 0.709 11.961 1.00 0.00 H new ATOM 1073 N GLY A 71 2.790 5.049 6.607 1.00 0.00 N ATOM 1074 CA GLY A 71 3.588 6.254 6.759 1.00 0.00 C ATOM 1075 C GLY A 71 4.940 6.108 6.057 1.00 0.00 C ATOM 1076 O GLY A 71 5.421 7.049 5.428 1.00 0.00 O ATOM 0 H GLY A 71 2.521 4.834 5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.049 7.106 6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.744 6.460 7.818 1.00 0.00 H new ATOM 1080 N ARG A 72 5.514 4.921 6.190 1.00 0.00 N ATOM 1081 CA ARG A 72 6.801 4.640 5.577 1.00 0.00 C ATOM 1082 C ARG A 72 6.625 4.344 4.086 1.00 0.00 C ATOM 1083 O ARG A 72 5.512 4.401 3.565 1.00 0.00 O ATOM 1084 CB ARG A 72 7.483 3.448 6.250 1.00 0.00 C ATOM 1085 CG ARG A 72 6.625 2.187 6.132 1.00 0.00 C ATOM 1086 CD ARG A 72 7.391 0.955 6.617 1.00 0.00 C ATOM 1087 NE ARG A 72 7.937 0.210 5.461 1.00 0.00 N ATOM 1088 CZ ARG A 72 8.705 -0.883 5.566 1.00 0.00 C ATOM 1089 NH1 ARG A 72 9.023 -1.365 6.775 1.00 0.00 N ATOM 1090 NH2 ARG A 72 9.156 -1.494 4.461 1.00 0.00 N ATOM 0 H ARG A 72 5.112 4.143 6.713 1.00 0.00 H new ATOM 0 HA ARG A 72 7.429 5.522 5.704 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.456 3.274 5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.662 3.673 7.301 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.714 2.307 6.718 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.321 2.046 5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.201 1.258 7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.730 0.310 7.196 1.00 0.00 H new ATOM 0 HE ARG A 72 7.715 0.550 4.525 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.680 -0.900 7.616 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.608 -2.197 6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.914 -1.127 3.541 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.741 -2.326 4.541 1.00 0.00 H new ATOM 1104 N PHE A 73 7.740 4.033 3.441 1.00 0.00 N ATOM 1105 CA PHE A 73 7.723 3.727 2.021 1.00 0.00 C ATOM 1106 C PHE A 73 8.118 2.271 1.769 1.00 0.00 C ATOM 1107 O PHE A 73 8.901 1.696 2.524 1.00 0.00 O ATOM 1108 CB PHE A 73 8.750 4.645 1.354 1.00 0.00 C ATOM 1109 CG PHE A 73 8.422 6.134 1.469 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.643 6.791 2.639 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.908 6.802 0.401 1.00 0.00 C ATOM 1112 CE1 PHE A 73 8.338 8.174 2.746 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.603 8.185 0.508 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.825 8.842 1.678 1.00 0.00 C ATOM 0 H PHE A 73 8.661 3.986 3.876 1.00 0.00 H new ATOM 0 HA PHE A 73 6.721 3.878 1.620 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.728 4.464 1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.827 4.381 0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.051 6.261 3.487 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.732 6.281 -0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.513 8.695 3.675 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.195 8.715 -0.340 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.594 9.894 1.759 1.00 0.00 H new ATOM 1124 N LEU A 74 7.559 1.715 0.704 1.00 0.00 N ATOM 1125 CA LEU A 74 7.843 0.337 0.343 1.00 0.00 C ATOM 1126 C LEU A 74 8.774 0.314 -0.871 1.00 0.00 C ATOM 1127 O LEU A 74 8.721 1.206 -1.716 1.00 0.00 O ATOM 1128 CB LEU A 74 6.542 -0.441 0.135 1.00 0.00 C ATOM 1129 CG LEU A 74 5.560 -0.432 1.308 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.318 -1.268 0.990 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.243 -0.889 2.598 1.00 0.00 C ATOM 0 H LEU A 74 6.911 2.194 0.079 1.00 0.00 H new ATOM 0 HA LEU A 74 8.364 -0.170 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.035 -0.035 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.794 -1.476 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 74 5.226 0.594 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.636 -1.245 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.818 -0.858 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.614 -2.298 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.523 -0.873 3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.624 -1.902 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.070 -0.218 2.830 1.00 0.00 H new ATOM 1143 N HIS A 75 9.606 -0.717 -0.919 1.00 0.00 N ATOM 1144 CA HIS A 75 10.547 -0.868 -2.015 1.00 0.00 C ATOM 1145 C HIS A 75 9.794 -1.254 -3.289 1.00 0.00 C ATOM 1146 O HIS A 75 8.658 -1.722 -3.225 1.00 0.00 O ATOM 1147 CB HIS A 75 11.649 -1.866 -1.651 1.00 0.00 C ATOM 1148 CG HIS A 75 13.038 -1.415 -2.034 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.681 -1.858 -3.176 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.898 -0.556 -1.416 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.875 -1.286 -3.233 1.00 0.00 C ATOM 1152 NE2 HIS A 75 15.007 -0.479 -2.140 1.00 0.00 N ATOM 0 H HIS A 75 9.647 -1.455 -0.216 1.00 0.00 H new ATOM 0 HA HIS A 75 11.046 0.082 -2.204 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.620 -2.047 -0.577 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.439 -2.817 -2.140 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.708 -0.028 -0.493 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.613 -1.432 -4.007 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.824 0.090 -1.917 1.00 0.00 H new ATOM 1160 N GLY A 76 10.457 -1.045 -4.417 1.00 0.00 N ATOM 1161 CA GLY A 76 9.865 -1.365 -5.704 1.00 0.00 C ATOM 1162 C GLY A 76 9.939 -2.867 -5.983 1.00 0.00 C ATOM 1163 O GLY A 76 9.165 -3.393 -6.782 1.00 0.00 O ATOM 0 H GLY A 76 11.399 -0.658 -4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.825 -1.039 -5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.383 -0.819 -6.492 1.00 0.00 H new ATOM 1167 N ASN A 77 10.878 -3.516 -5.309 1.00 0.00 N ATOM 1168 CA ASN A 77 11.063 -4.948 -5.475 1.00 0.00 C ATOM 1169 C ASN A 77 10.191 -5.691 -4.461 1.00 0.00 C ATOM 1170 O ASN A 77 9.909 -6.876 -4.631 1.00 0.00 O ATOM 1171 CB ASN A 77 12.520 -5.347 -5.228 1.00 0.00 C ATOM 1172 CG ASN A 77 13.101 -6.077 -6.440 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.846 -5.737 -7.584 1.00 0.00 O ATOM 1174 ND2 ASN A 77 13.895 -7.098 -6.127 1.00 0.00 N ATOM 0 H ASN A 77 11.518 -3.077 -4.647 1.00 0.00 H new ATOM 0 HA ASN A 77 10.786 -5.208 -6.497 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.113 -4.458 -5.016 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.581 -5.988 -4.349 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.332 -7.649 -6.866 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.067 -7.329 -5.149 1.00 0.00 H new ATOM 1181 N VAL A 78 9.789 -4.965 -3.429 1.00 0.00 N ATOM 1182 CA VAL A 78 8.955 -5.541 -2.388 1.00 0.00 C ATOM 1183 C VAL A 78 7.711 -6.164 -3.024 1.00 0.00 C ATOM 1184 O VAL A 78 7.230 -5.689 -4.052 1.00 0.00 O ATOM 1185 CB VAL A 78 8.621 -4.479 -1.338 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.336 -4.835 -0.588 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.787 -4.283 -0.366 1.00 0.00 C ATOM 0 H VAL A 78 10.025 -3.982 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 78 9.488 -6.337 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 78 8.455 -3.535 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.121 -4.064 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.509 -4.900 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.461 -5.795 -0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.524 -3.523 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.998 -5.223 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.671 -3.963 -0.918 1.00 0.00 H new ATOM 1197 N THR A 79 7.225 -7.219 -2.386 1.00 0.00 N ATOM 1198 CA THR A 79 6.046 -7.913 -2.877 1.00 0.00 C ATOM 1199 C THR A 79 5.113 -8.265 -1.717 1.00 0.00 C ATOM 1200 O THR A 79 5.570 -8.670 -0.649 1.00 0.00 O ATOM 1201 CB THR A 79 6.513 -9.132 -3.674 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.383 -9.820 -2.779 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.413 -8.753 -4.852 1.00 0.00 C ATOM 0 H THR A 79 7.626 -7.610 -1.534 1.00 0.00 H new ATOM 0 HA THR A 79 5.461 -7.278 -3.542 1.00 0.00 H new ATOM 0 HB THR A 79 5.645 -9.678 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.730 -10.626 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.716 -9.655 -5.383 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.867 -8.098 -5.531 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.298 -8.236 -4.482 1.00 0.00 H new ATOM 1211 N LEU A 80 3.823 -8.098 -1.965 1.00 0.00 N ATOM 1212 CA LEU A 80 2.821 -8.394 -0.954 1.00 0.00 C ATOM 1213 C LEU A 80 3.226 -9.660 -0.197 1.00 0.00 C ATOM 1214 O LEU A 80 3.015 -9.760 1.011 1.00 0.00 O ATOM 1215 CB LEU A 80 1.430 -8.473 -1.585 1.00 0.00 C ATOM 1216 CG LEU A 80 0.730 -7.136 -1.836 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.568 -7.335 -2.620 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.497 -6.385 -0.523 1.00 0.00 C ATOM 0 H LEU A 80 3.448 -7.761 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 80 2.768 -7.588 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.513 -9.001 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.794 -9.078 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 80 1.385 -6.517 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.045 -6.369 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.345 -7.798 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.240 -7.980 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.002 -5.438 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.128 -6.989 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.455 -6.193 -0.039 1.00 0.00 H new ATOM 1230 N GLY A 81 3.801 -10.597 -0.938 1.00 0.00 N ATOM 1231 CA GLY A 81 4.237 -11.852 -0.352 1.00 0.00 C ATOM 1232 C GLY A 81 5.263 -11.613 0.757 1.00 0.00 C ATOM 1233 O GLY A 81 5.116 -12.126 1.866 1.00 0.00 O ATOM 0 H GLY A 81 3.975 -10.511 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.377 -12.387 0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.672 -12.486 -1.124 1.00 0.00 H new ATOM 1237 N ALA A 82 6.279 -10.832 0.421 1.00 0.00 N ATOM 1238 CA ALA A 82 7.330 -10.518 1.374 1.00 0.00 C ATOM 1239 C ALA A 82 6.732 -9.736 2.546 1.00 0.00 C ATOM 1240 O ALA A 82 7.317 -9.687 3.626 1.00 0.00 O ATOM 1241 CB ALA A 82 8.446 -9.747 0.668 1.00 0.00 C ATOM 0 H ALA A 82 6.397 -10.407 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 82 7.769 -11.431 1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.234 -9.512 1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.857 -10.357 -0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.044 -8.822 0.254 1.00 0.00 H new ATOM 1247 N LEU A 83 5.574 -9.145 2.291 1.00 0.00 N ATOM 1248 CA LEU A 83 4.890 -8.368 3.311 1.00 0.00 C ATOM 1249 C LEU A 83 3.987 -9.292 4.131 1.00 0.00 C ATOM 1250 O LEU A 83 3.296 -8.842 5.043 1.00 0.00 O ATOM 1251 CB LEU A 83 4.151 -7.187 2.680 1.00 0.00 C ATOM 1252 CG LEU A 83 5.010 -6.211 1.873 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.157 -5.083 1.290 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.170 -5.677 2.714 1.00 0.00 C ATOM 0 H LEU A 83 5.092 -9.188 1.393 1.00 0.00 H new ATOM 0 HA LEU A 83 5.610 -7.930 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.371 -7.579 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.652 -6.630 3.473 1.00 0.00 H new ATOM 0 HG LEU A 83 5.445 -6.753 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.792 -4.404 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.396 -5.504 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.674 -4.536 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.765 -4.986 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.777 -5.156 3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.797 -6.508 3.039 1.00 0.00 H new ATOM 1266 N LYS A 84 4.022 -10.568 3.775 1.00 0.00 N ATOM 1267 CA LYS A 84 3.215 -11.559 4.466 1.00 0.00 C ATOM 1268 C LYS A 84 1.922 -10.906 4.957 1.00 0.00 C ATOM 1269 O LYS A 84 1.499 -11.133 6.090 1.00 0.00 O ATOM 1270 CB LYS A 84 4.026 -12.231 5.576 1.00 0.00 C ATOM 1271 CG LYS A 84 4.726 -11.188 6.451 1.00 0.00 C ATOM 1272 CD LYS A 84 3.756 -10.589 7.471 1.00 0.00 C ATOM 1273 CE LYS A 84 4.510 -10.025 8.677 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.564 -9.657 9.754 1.00 0.00 N ATOM 0 H LYS A 84 4.596 -10.938 3.018 1.00 0.00 H new ATOM 0 HA LYS A 84 2.928 -12.359 3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.368 -12.845 6.191 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.767 -12.899 5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.567 -11.648 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.134 -10.396 5.823 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.171 -9.799 7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.053 -11.353 7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.221 -10.764 9.046 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.086 -9.150 8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.092 -9.276 10.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.901 -8.936 9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.033 -10.500 10.052 1.00 0.00 H new ATOM 1288 N LEU A 85 1.330 -10.107 4.082 1.00 0.00 N ATOM 1289 CA LEU A 85 0.094 -9.419 4.412 1.00 0.00 C ATOM 1290 C LEU A 85 -1.037 -10.442 4.533 1.00 0.00 C ATOM 1291 O LEU A 85 -1.011 -11.482 3.878 1.00 0.00 O ATOM 1292 CB LEU A 85 -0.188 -8.307 3.400 1.00 0.00 C ATOM 1293 CG LEU A 85 -0.219 -6.883 3.959 1.00 0.00 C ATOM 1294 CD1 LEU A 85 0.879 -6.680 5.005 1.00 0.00 C ATOM 1295 CD2 LEU A 85 -0.136 -5.850 2.833 1.00 0.00 C ATOM 0 H LEU A 85 1.684 -9.921 3.144 1.00 0.00 H new ATOM 0 HA LEU A 85 0.181 -8.923 5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.571 -8.353 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.148 -8.510 2.925 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.174 -6.735 4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.834 -5.660 5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.733 -7.381 5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.853 -6.855 4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.160 -4.846 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.793 -5.988 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.982 -5.979 2.158 1.00 0.00 H new ATOM 1307 N PRO A 86 -2.030 -10.101 5.398 1.00 0.00 N ATOM 1308 CA PRO A 86 -3.169 -10.978 5.613 1.00 0.00 C ATOM 1309 C PRO A 86 -4.135 -10.923 4.427 1.00 0.00 C ATOM 1310 O PRO A 86 -4.449 -9.844 3.927 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.795 -10.498 6.912 1.00 0.00 C ATOM 1312 CG PRO A 86 -3.269 -9.089 7.133 1.00 0.00 C ATOM 1313 CD PRO A 86 -2.095 -8.877 6.190 1.00 0.00 C ATOM 0 HA PRO A 86 -2.884 -12.027 5.688 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.883 -10.503 6.846 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.523 -11.151 7.741 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -4.051 -8.355 6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.956 -8.956 8.169 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.249 -8.003 5.557 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.169 -8.712 6.741 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.579 -12.100 4.012 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.503 -12.199 2.895 1.00 0.00 C ATOM 1323 C PHE A 87 -6.927 -11.844 3.328 1.00 0.00 C ATOM 1324 O PHE A 87 -7.227 -11.812 4.520 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.475 -13.653 2.420 1.00 0.00 C ATOM 1326 CG PHE A 87 -4.115 -14.108 1.887 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.309 -13.225 1.239 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.712 -15.395 2.061 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -2.046 -13.647 0.744 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.449 -15.817 1.567 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.643 -14.934 0.919 1.00 0.00 C ATOM 0 H PHE A 87 -4.316 -12.993 4.429 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.209 -11.507 2.106 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.764 -14.300 3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.222 -13.783 1.637 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.629 -12.203 1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.352 -16.096 2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.406 -12.946 0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.129 -16.839 1.706 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.683 -15.255 0.543 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.765 -11.585 2.335 1.00 0.00 N ATOM 1342 CA GLY A 88 -9.150 -11.234 2.598 1.00 0.00 C ATOM 1343 C GLY A 88 -9.243 -10.082 3.601 1.00 0.00 C ATOM 1344 O GLY A 88 -10.181 -10.019 4.394 1.00 0.00 O ATOM 0 H GLY A 88 -7.512 -11.611 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.640 -10.950 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.682 -12.103 2.986 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.256 -9.201 3.534 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.214 -8.055 4.427 1.00 0.00 C ATOM 1350 C LYS A 89 -8.065 -6.776 3.601 1.00 0.00 C ATOM 1351 O LYS A 89 -7.980 -6.830 2.375 1.00 0.00 O ATOM 1352 CB LYS A 89 -7.120 -8.237 5.481 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.599 -9.142 6.618 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.862 -8.333 7.889 1.00 0.00 C ATOM 1355 CE LYS A 89 -7.138 -8.946 9.089 1.00 0.00 C ATOM 1356 NZ LYS A 89 -7.902 -10.097 9.623 1.00 0.00 N ATOM 0 H LYS A 89 -7.479 -9.257 2.875 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.148 -7.970 4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.232 -8.668 5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.831 -7.265 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.510 -9.659 6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.849 -9.908 6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.529 -7.305 7.745 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.933 -8.297 8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.140 -9.270 8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.011 -8.194 9.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.397 -10.501 10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.845 -9.778 9.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.002 -10.821 8.883 1.00 0.00 H new ATOM 1370 N THR A 90 -8.038 -5.654 4.306 1.00 0.00 N ATOM 1371 CA THR A 90 -7.901 -4.363 3.654 1.00 0.00 C ATOM 1372 C THR A 90 -6.713 -3.595 4.236 1.00 0.00 C ATOM 1373 O THR A 90 -6.650 -3.363 5.442 1.00 0.00 O ATOM 1374 CB THR A 90 -9.232 -3.620 3.791 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.160 -4.436 3.081 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.243 -2.293 3.030 1.00 0.00 C ATOM 0 H THR A 90 -8.109 -5.613 5.323 1.00 0.00 H new ATOM 0 HA THR A 90 -7.684 -4.477 2.592 1.00 0.00 H new ATOM 0 HB THR A 90 -9.437 -3.435 4.845 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.050 -4.029 3.120 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.210 -1.807 3.160 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.456 -1.645 3.417 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.071 -2.480 1.970 1.00 0.00 H new ATOM 1384 N THR A 91 -5.801 -3.220 3.351 1.00 0.00 N ATOM 1385 CA THR A 91 -4.618 -2.482 3.762 1.00 0.00 C ATOM 1386 C THR A 91 -4.714 -1.025 3.307 1.00 0.00 C ATOM 1387 O THR A 91 -5.376 -0.723 2.315 1.00 0.00 O ATOM 1388 CB THR A 91 -3.391 -3.212 3.211 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.135 -4.233 4.171 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.131 -2.345 3.244 1.00 0.00 C ATOM 0 H THR A 91 -5.857 -3.413 2.351 1.00 0.00 H new ATOM 0 HA THR A 91 -4.532 -2.445 4.848 1.00 0.00 H new ATOM 0 HB THR A 91 -3.587 -3.529 2.187 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.355 -4.757 3.891 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.290 -2.910 2.842 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.289 -1.451 2.641 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.915 -2.055 4.272 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.043 -0.160 4.053 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.045 1.259 3.739 1.00 0.00 C ATOM 1400 C VAL A 92 -2.687 1.647 3.150 1.00 0.00 C ATOM 1401 O VAL A 92 -1.645 1.337 3.726 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.411 2.070 4.983 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.258 3.570 4.724 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -5.827 1.737 5.458 1.00 0.00 C ATOM 0 H VAL A 92 -3.494 -0.414 4.874 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.802 1.483 2.988 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.718 1.795 5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.524 4.124 5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.225 3.789 4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.916 3.867 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.062 2.327 6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.540 1.970 4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.889 0.676 5.702 1.00 0.00 H new ATOM 1414 N MET A 93 -2.743 2.320 2.010 1.00 0.00 N ATOM 1415 CA MET A 93 -1.530 2.755 1.337 1.00 0.00 C ATOM 1416 C MET A 93 -1.774 4.040 0.544 1.00 0.00 C ATOM 1417 O MET A 93 -2.874 4.263 0.040 1.00 0.00 O ATOM 1418 CB MET A 93 -1.050 1.653 0.390 1.00 0.00 C ATOM 1419 CG MET A 93 -0.345 0.535 1.162 1.00 0.00 C ATOM 1420 SD MET A 93 0.199 -0.736 0.034 1.00 0.00 S ATOM 1421 CE MET A 93 1.109 -1.781 1.161 1.00 0.00 C ATOM 0 H MET A 93 -3.609 2.575 1.535 1.00 0.00 H new ATOM 0 HA MET A 93 -0.769 2.956 2.091 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.899 1.243 -0.157 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.369 2.075 -0.349 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.509 0.940 1.706 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.023 0.110 1.903 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.872 -2.331 0.611 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.585 -1.165 1.924 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.426 -2.485 1.636 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.730 4.851 0.457 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.817 6.108 -0.267 1.00 0.00 C ATOM 1433 C HIS A 94 -0.071 5.987 -1.597 1.00 0.00 C ATOM 1434 O HIS A 94 0.897 5.235 -1.703 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.309 7.266 0.594 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.370 7.892 1.469 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -1.530 7.562 2.804 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.319 8.829 1.187 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -2.535 8.274 3.293 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.023 9.059 2.289 1.00 0.00 N ATOM 0 H HIS A 94 0.181 4.662 0.876 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.860 6.330 -0.494 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.503 6.906 1.226 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.110 8.033 -0.057 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.472 9.304 0.229 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -2.903 8.239 4.308 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.800 9.714 2.372 1.00 0.00 H new