USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 785 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -98:sc= 1.26 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 0.128 (180deg=0.128) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -138:sc= 0.957 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 80:sc= 0.496 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= 0.949 (180deg=0.888) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 52:sc= 0.344 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 1.24 USER MOD Single : A 72 SER OG : rot 180:sc= 0.00162 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.712 USER MOD Single : A 78 SER OG : rot -25:sc= 1.14 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.11) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 98 LYS NZ :NH3+ 152:sc= 0.424 (180deg=0.203) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -79:sc= 0.00963 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N GLY A 19 -2.880 13.997 0.145 1.00 0.00 N ATOM 106 CA GLY A 19 -4.097 13.497 0.804 1.00 0.00 C ATOM 107 C GLY A 19 -3.927 12.111 1.424 1.00 0.00 C ATOM 108 O GLY A 19 -2.944 11.421 1.170 1.00 0.00 O ATOM 0 HA2 GLY A 19 -4.395 14.200 1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.908 13.464 0.076 1.00 0.00 H new ATOM 112 N ASP A 20 -4.903 11.671 2.216 1.00 0.00 N ATOM 113 CA ASP A 20 -4.842 10.415 2.979 1.00 0.00 C ATOM 114 C ASP A 20 -6.220 9.730 3.042 1.00 0.00 C ATOM 115 O ASP A 20 -7.239 10.397 3.245 1.00 0.00 O ATOM 116 CB ASP A 20 -4.308 10.742 4.387 1.00 0.00 C ATOM 117 CG ASP A 20 -3.973 9.504 5.237 1.00 0.00 C ATOM 118 OD1 ASP A 20 -4.910 8.820 5.712 1.00 0.00 O ATOM 119 OD2 ASP A 20 -2.766 9.261 5.472 1.00 0.00 O ATOM 0 H ASP A 20 -5.775 12.182 2.351 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.173 9.710 2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.412 11.356 4.290 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.050 11.341 4.915 1.00 0.00 H new ATOM 124 N ALA A 21 -6.249 8.401 2.876 1.00 0.00 N ATOM 125 CA ALA A 21 -7.465 7.587 2.923 1.00 0.00 C ATOM 126 C ALA A 21 -7.190 6.154 3.421 1.00 0.00 C ATOM 127 O ALA A 21 -6.393 5.412 2.841 1.00 0.00 O ATOM 128 CB ALA A 21 -8.119 7.583 1.533 1.00 0.00 C ATOM 0 H ALA A 21 -5.407 7.852 2.702 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.151 8.029 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.026 6.979 1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.372 8.604 1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.424 7.163 0.805 1.00 0.00 H new ATOM 134 N ASN A 22 -7.889 5.757 4.491 1.00 0.00 N ATOM 135 CA ASN A 22 -7.911 4.403 5.062 1.00 0.00 C ATOM 136 C ASN A 22 -6.509 3.910 5.493 1.00 0.00 C ATOM 137 O ASN A 22 -6.097 4.132 6.634 1.00 0.00 O ATOM 138 CB ASN A 22 -8.648 3.435 4.107 1.00 0.00 C ATOM 139 CG ASN A 22 -10.102 3.846 3.877 1.00 0.00 C ATOM 140 OD1 ASN A 22 -10.445 4.469 2.879 1.00 0.00 O ATOM 141 ND2 ASN A 22 -10.996 3.527 4.799 1.00 0.00 N ATOM 0 H ASN A 22 -8.485 6.403 5.009 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.479 4.433 5.992 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.126 3.403 3.151 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.618 2.427 4.520 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.972 3.800 4.679 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.710 3.008 5.629 1.00 0.00 H new ATOM 148 N ILE A 23 -5.790 3.212 4.604 1.00 0.00 N ATOM 149 CA ILE A 23 -4.481 2.566 4.846 1.00 0.00 C ATOM 150 C ILE A 23 -3.361 3.199 3.989 1.00 0.00 C ATOM 151 O ILE A 23 -2.185 2.924 4.230 1.00 0.00 O ATOM 152 CB ILE A 23 -4.665 1.034 4.633 1.00 0.00 C ATOM 153 CG1 ILE A 23 -5.625 0.464 5.711 1.00 0.00 C ATOM 154 CG2 ILE A 23 -3.347 0.232 4.641 1.00 0.00 C ATOM 155 CD1 ILE A 23 -6.070 -0.984 5.478 1.00 0.00 C ATOM 0 H ILE A 23 -6.116 3.072 3.648 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.147 2.731 5.871 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.087 0.919 3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.135 0.526 6.683 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.511 1.098 5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.563 -0.825 4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.698 0.590 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.847 0.363 5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.738 -1.293 6.282 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.593 -1.055 4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.196 -1.635 5.462 1.00 0.00 H new ATOM 167 N PHE A 24 -3.688 4.071 3.021 1.00 0.00 N ATOM 168 CA PHE A 24 -2.717 4.724 2.146 1.00 0.00 C ATOM 169 C PHE A 24 -2.792 6.259 2.179 1.00 0.00 C ATOM 170 O PHE A 24 -3.858 6.866 2.291 1.00 0.00 O ATOM 171 CB PHE A 24 -2.853 4.177 0.716 1.00 0.00 C ATOM 172 CG PHE A 24 -4.263 4.164 0.157 1.00 0.00 C ATOM 173 CD1 PHE A 24 -4.819 5.309 -0.442 1.00 0.00 C ATOM 174 CD2 PHE A 24 -5.031 2.992 0.267 1.00 0.00 C ATOM 175 CE1 PHE A 24 -6.151 5.285 -0.898 1.00 0.00 C ATOM 176 CE2 PHE A 24 -6.365 2.971 -0.171 1.00 0.00 C ATOM 177 CZ PHE A 24 -6.928 4.123 -0.747 1.00 0.00 C ATOM 0 H PHE A 24 -4.652 4.342 2.826 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.726 4.482 2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.224 4.773 0.055 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.463 3.160 0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.225 6.205 -0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.592 2.101 0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.577 6.161 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.956 2.073 -0.066 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.957 4.116 -1.074 1.00 0.00 H new ATOM 187 N ARG A 25 -1.625 6.890 2.024 1.00 0.00 N ATOM 188 CA ARG A 25 -1.454 8.335 1.866 1.00 0.00 C ATOM 189 C ARG A 25 -1.028 8.625 0.426 1.00 0.00 C ATOM 190 O ARG A 25 0.005 8.119 -0.009 1.00 0.00 O ATOM 191 CB ARG A 25 -0.427 8.828 2.897 1.00 0.00 C ATOM 192 CG ARG A 25 -0.366 10.361 2.982 1.00 0.00 C ATOM 193 CD ARG A 25 0.468 10.835 4.179 1.00 0.00 C ATOM 194 NE ARG A 25 -0.185 10.469 5.447 1.00 0.00 N ATOM 195 CZ ARG A 25 0.293 10.614 6.674 1.00 0.00 C ATOM 196 NH1 ARG A 25 1.466 11.165 6.915 1.00 0.00 N ATOM 197 NH2 ARG A 25 -0.429 10.190 7.687 1.00 0.00 N ATOM 0 H ARG A 25 -0.738 6.387 2.005 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.386 8.870 2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.678 8.423 3.877 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.559 8.443 2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.061 10.759 2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.377 10.761 3.063 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.462 10.390 4.135 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.600 11.916 4.131 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.114 10.055 5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.042 11.498 6.142 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.798 11.258 7.875 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.338 9.759 7.520 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.080 10.292 8.640 1.00 0.00 H new ATOM 211 N VAL A 26 -1.822 9.401 -0.307 1.00 0.00 N ATOM 212 CA VAL A 26 -1.511 9.799 -1.692 1.00 0.00 C ATOM 213 C VAL A 26 -0.604 11.027 -1.680 1.00 0.00 C ATOM 214 O VAL A 26 -0.976 12.083 -1.168 1.00 0.00 O ATOM 215 CB VAL A 26 -2.764 9.999 -2.585 1.00 0.00 C ATOM 216 CG1 VAL A 26 -3.835 10.940 -2.006 1.00 0.00 C ATOM 217 CG2 VAL A 26 -2.372 10.491 -3.992 1.00 0.00 C ATOM 0 H VAL A 26 -2.705 9.777 0.038 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.980 8.969 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.216 9.008 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.669 11.014 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.191 10.544 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.404 11.929 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.270 10.622 -4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.847 11.443 -3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.721 9.756 -4.466 1.00 0.00 H new ATOM 227 N ASP A 27 0.586 10.885 -2.261 1.00 0.00 N ATOM 228 CA ASP A 27 1.524 11.992 -2.456 1.00 0.00 C ATOM 229 C ASP A 27 1.348 12.591 -3.857 1.00 0.00 C ATOM 230 O ASP A 27 1.668 11.950 -4.856 1.00 0.00 O ATOM 231 CB ASP A 27 2.965 11.521 -2.223 1.00 0.00 C ATOM 232 CG ASP A 27 3.943 12.704 -2.303 1.00 0.00 C ATOM 233 OD1 ASP A 27 4.197 13.340 -1.253 1.00 0.00 O ATOM 234 OD2 ASP A 27 4.431 13.004 -3.417 1.00 0.00 O ATOM 0 H ASP A 27 0.930 9.992 -2.613 1.00 0.00 H new ATOM 0 HA ASP A 27 1.310 12.773 -1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.043 11.043 -1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.232 10.771 -2.967 1.00 0.00 H new ATOM 239 N LYS A 28 0.835 13.823 -3.939 1.00 0.00 N ATOM 240 CA LYS A 28 0.526 14.480 -5.221 1.00 0.00 C ATOM 241 C LYS A 28 1.709 15.265 -5.830 1.00 0.00 C ATOM 242 O LYS A 28 1.660 15.631 -7.006 1.00 0.00 O ATOM 243 CB LYS A 28 -0.718 15.371 -5.044 1.00 0.00 C ATOM 244 CG LYS A 28 -1.968 14.556 -4.671 1.00 0.00 C ATOM 245 CD LYS A 28 -3.232 15.422 -4.751 1.00 0.00 C ATOM 246 CE LYS A 28 -4.452 14.641 -4.242 1.00 0.00 C ATOM 247 NZ LYS A 28 -5.691 15.464 -4.290 1.00 0.00 N ATOM 0 H LYS A 28 0.621 14.395 -3.122 1.00 0.00 H new ATOM 0 HA LYS A 28 0.320 13.693 -5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.525 16.112 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.905 15.918 -5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.064 13.703 -5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.859 14.157 -3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.098 16.327 -4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.399 15.738 -5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.587 13.744 -4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.273 14.312 -3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.494 14.904 -3.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.571 16.308 -3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.876 15.756 -5.271 1.00 0.00 H new ATOM 261 N ASP A 29 2.776 15.506 -5.060 1.00 0.00 N ATOM 262 CA ASP A 29 3.999 16.180 -5.520 1.00 0.00 C ATOM 263 C ASP A 29 4.841 15.265 -6.423 1.00 0.00 C ATOM 264 O ASP A 29 5.152 15.614 -7.561 1.00 0.00 O ATOM 265 CB ASP A 29 4.815 16.623 -4.297 1.00 0.00 C ATOM 266 CG ASP A 29 6.149 17.275 -4.699 1.00 0.00 C ATOM 267 OD1 ASP A 29 6.130 18.309 -5.407 1.00 0.00 O ATOM 268 OD2 ASP A 29 7.219 16.754 -4.300 1.00 0.00 O ATOM 0 H ASP A 29 2.816 15.233 -4.078 1.00 0.00 H new ATOM 0 HA ASP A 29 3.718 17.050 -6.113 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.230 17.329 -3.707 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.011 15.760 -3.660 1.00 0.00 H new ATOM 273 N SER A 30 5.185 14.081 -5.921 1.00 0.00 N ATOM 274 CA SER A 30 5.954 13.060 -6.646 1.00 0.00 C ATOM 275 C SER A 30 5.052 12.030 -7.370 1.00 0.00 C ATOM 276 O SER A 30 5.526 11.295 -8.242 1.00 0.00 O ATOM 277 CB SER A 30 6.917 12.393 -5.649 1.00 0.00 C ATOM 278 OG SER A 30 7.913 11.618 -6.293 1.00 0.00 O ATOM 0 H SER A 30 4.933 13.793 -4.975 1.00 0.00 H new ATOM 0 HA SER A 30 6.522 13.538 -7.444 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.395 13.161 -5.041 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.349 11.757 -4.970 1.00 0.00 H new ATOM 0 HG SER A 30 7.644 10.676 -6.295 1.00 0.00 H new ATOM 284 N ARG A 31 3.746 12.002 -7.043 1.00 0.00 N ATOM 285 CA ARG A 31 2.671 11.263 -7.733 1.00 0.00 C ATOM 286 C ARG A 31 2.705 9.761 -7.372 1.00 0.00 C ATOM 287 O ARG A 31 2.964 8.898 -8.214 1.00 0.00 O ATOM 288 CB ARG A 31 2.679 11.589 -9.243 1.00 0.00 C ATOM 289 CG ARG A 31 1.301 11.408 -9.899 1.00 0.00 C ATOM 290 CD ARG A 31 1.260 12.057 -11.291 1.00 0.00 C ATOM 291 NE ARG A 31 2.076 11.321 -12.276 1.00 0.00 N ATOM 292 CZ ARG A 31 2.242 11.648 -13.555 1.00 0.00 C ATOM 293 NH1 ARG A 31 1.657 12.699 -14.090 1.00 0.00 N ATOM 294 NH2 ARG A 31 3.012 10.910 -14.325 1.00 0.00 N ATOM 0 H ARG A 31 3.392 12.526 -6.243 1.00 0.00 H new ATOM 0 HA ARG A 31 1.697 11.599 -7.377 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.012 12.617 -9.386 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.402 10.946 -9.745 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.072 10.346 -9.983 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.532 11.851 -9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.228 12.102 -11.638 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.618 13.084 -11.221 1.00 0.00 H new ATOM 0 HE ARG A 31 2.557 10.484 -11.946 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.054 13.292 -13.520 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.807 12.920 -15.074 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.480 10.089 -13.941 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.141 11.159 -15.306 1.00 0.00 H new ATOM 308 N GLU A 32 2.493 9.466 -6.085 1.00 0.00 N ATOM 309 CA GLU A 32 2.764 8.173 -5.429 1.00 0.00 C ATOM 310 C GLU A 32 1.631 7.767 -4.465 1.00 0.00 C ATOM 311 O GLU A 32 0.800 8.605 -4.114 1.00 0.00 O ATOM 312 CB GLU A 32 4.072 8.256 -4.613 1.00 0.00 C ATOM 313 CG GLU A 32 5.223 8.984 -5.323 1.00 0.00 C ATOM 314 CD GLU A 32 6.603 8.800 -4.661 1.00 0.00 C ATOM 315 OE1 GLU A 32 6.705 8.283 -3.524 1.00 0.00 O ATOM 316 OE2 GLU A 32 7.609 9.224 -5.278 1.00 0.00 O ATOM 0 H GLU A 32 2.109 10.153 -5.437 1.00 0.00 H new ATOM 0 HA GLU A 32 2.844 7.428 -6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.865 8.763 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.396 7.245 -4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.279 8.631 -6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.993 10.049 -5.363 1.00 0.00 H new ATOM 323 N VAL A 33 1.637 6.520 -3.966 1.00 0.00 N ATOM 324 CA VAL A 33 0.851 6.118 -2.773 1.00 0.00 C ATOM 325 C VAL A 33 1.706 5.364 -1.752 1.00 0.00 C ATOM 326 O VAL A 33 2.304 4.330 -2.038 1.00 0.00 O ATOM 327 CB VAL A 33 -0.447 5.308 -3.065 1.00 0.00 C ATOM 328 CG1 VAL A 33 -1.668 6.226 -2.952 1.00 0.00 C ATOM 329 CG2 VAL A 33 -0.411 4.497 -4.370 1.00 0.00 C ATOM 0 H VAL A 33 2.183 5.760 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 33 0.524 7.071 -2.357 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.525 4.537 -2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.573 5.654 -3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.720 6.639 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.580 7.038 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.354 3.965 -4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.262 5.171 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.408 3.779 -4.330 1.00 0.00 H new ATOM 339 N TYR A 34 1.726 5.877 -0.523 1.00 0.00 N ATOM 340 CA TYR A 34 2.378 5.272 0.637 1.00 0.00 C ATOM 341 C TYR A 34 1.372 4.402 1.393 1.00 0.00 C ATOM 342 O TYR A 34 0.463 4.936 2.021 1.00 0.00 O ATOM 343 CB TYR A 34 2.924 6.375 1.561 1.00 0.00 C ATOM 344 CG TYR A 34 4.152 7.126 1.077 1.00 0.00 C ATOM 345 CD1 TYR A 34 4.088 7.968 -0.053 1.00 0.00 C ATOM 346 CD2 TYR A 34 5.356 7.027 1.803 1.00 0.00 C ATOM 347 CE1 TYR A 34 5.227 8.676 -0.476 1.00 0.00 C ATOM 348 CE2 TYR A 34 6.492 7.750 1.397 1.00 0.00 C ATOM 349 CZ TYR A 34 6.438 8.566 0.245 1.00 0.00 C ATOM 350 OH TYR A 34 7.552 9.242 -0.156 1.00 0.00 O ATOM 0 H TYR A 34 1.270 6.761 -0.299 1.00 0.00 H new ATOM 0 HA TYR A 34 3.208 4.649 0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.128 7.100 1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.159 5.925 2.526 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.160 8.069 -0.596 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.407 6.393 2.676 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.177 9.305 -1.353 1.00 0.00 H new ATOM 0 HE2 TYR A 34 7.407 7.681 1.967 1.00 0.00 H new ATOM 0 HH TYR A 34 8.291 9.049 0.458 1.00 0.00 H new ATOM 360 N MET A 35 1.526 3.076 1.358 1.00 0.00 N ATOM 361 CA MET A 35 0.754 2.150 2.186 1.00 0.00 C ATOM 362 C MET A 35 1.378 2.108 3.583 1.00 0.00 C ATOM 363 O MET A 35 2.583 2.315 3.728 1.00 0.00 O ATOM 364 CB MET A 35 0.754 0.774 1.500 1.00 0.00 C ATOM 365 CG MET A 35 -0.186 -0.253 2.142 1.00 0.00 C ATOM 366 SD MET A 35 -0.192 -1.842 1.277 1.00 0.00 S ATOM 367 CE MET A 35 -1.333 -2.741 2.356 1.00 0.00 C ATOM 0 H MET A 35 2.198 2.612 0.747 1.00 0.00 H new ATOM 0 HA MET A 35 -0.282 2.470 2.296 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.473 0.903 0.455 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.769 0.376 1.510 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.111 -0.411 3.179 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.199 0.150 2.158 1.00 0.00 H new ATOM 0 HE1 MET A 35 -1.465 -3.756 1.981 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.926 -2.778 3.366 1.00 0.00 H new ATOM 0 HE3 MET A 35 -2.296 -2.232 2.372 1.00 0.00 H new ATOM 377 N HIS A 36 0.596 1.779 4.609 1.00 0.00 N ATOM 378 CA HIS A 36 1.064 1.731 6.004 1.00 0.00 C ATOM 379 C HIS A 36 2.294 0.805 6.244 1.00 0.00 C ATOM 380 O HIS A 36 3.028 0.989 7.219 1.00 0.00 O ATOM 381 CB HIS A 36 -0.133 1.357 6.890 1.00 0.00 C ATOM 382 CG HIS A 36 0.107 1.599 8.357 1.00 0.00 C ATOM 383 ND1 HIS A 36 0.162 0.618 9.351 1.00 0.00 N ATOM 384 CD2 HIS A 36 0.281 2.823 8.934 1.00 0.00 C ATOM 385 CE1 HIS A 36 0.377 1.279 10.502 1.00 0.00 C ATOM 386 NE2 HIS A 36 0.454 2.604 10.283 1.00 0.00 N ATOM 0 H HIS A 36 -0.389 1.535 4.501 1.00 0.00 H new ATOM 0 HA HIS A 36 1.442 2.718 6.269 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.003 1.931 6.573 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.373 0.305 6.738 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.283 3.779 8.431 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.475 0.810 11.470 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.613 3.321 10.991 1.00 0.00 H new ATOM 394 N GLU A 37 2.552 -0.143 5.330 1.00 0.00 N ATOM 395 CA GLU A 37 3.716 -1.044 5.333 1.00 0.00 C ATOM 396 C GLU A 37 4.917 -0.498 4.526 1.00 0.00 C ATOM 397 O GLU A 37 6.052 -0.817 4.884 1.00 0.00 O ATOM 398 CB GLU A 37 3.304 -2.437 4.794 1.00 0.00 C ATOM 399 CG GLU A 37 2.582 -3.312 5.832 1.00 0.00 C ATOM 400 CD GLU A 37 1.314 -2.680 6.429 1.00 0.00 C ATOM 401 OE1 GLU A 37 0.387 -2.333 5.661 1.00 0.00 O ATOM 402 OE2 GLU A 37 1.237 -2.548 7.674 1.00 0.00 O ATOM 0 H GLU A 37 1.932 -0.310 4.538 1.00 0.00 H new ATOM 0 HA GLU A 37 4.049 -1.122 6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.655 -2.305 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.195 -2.961 4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.315 -4.260 5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.275 -3.539 6.642 1.00 0.00 H new ATOM 409 N LYS A 38 4.705 0.310 3.464 1.00 0.00 N ATOM 410 CA LYS A 38 5.754 0.779 2.524 1.00 0.00 C ATOM 411 C LYS A 38 5.277 1.749 1.412 1.00 0.00 C ATOM 412 O LYS A 38 4.114 1.742 1.010 1.00 0.00 O ATOM 413 CB LYS A 38 6.568 -0.408 1.931 1.00 0.00 C ATOM 414 CG LYS A 38 5.836 -1.706 1.527 1.00 0.00 C ATOM 415 CD LYS A 38 4.706 -1.538 0.497 1.00 0.00 C ATOM 416 CE LYS A 38 4.178 -2.915 0.030 1.00 0.00 C ATOM 417 NZ LYS A 38 2.990 -3.385 0.814 1.00 0.00 N ATOM 0 H LYS A 38 3.778 0.664 3.229 1.00 0.00 H new ATOM 0 HA LYS A 38 6.412 1.386 3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.088 -0.038 1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.331 -0.677 2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.569 -2.405 1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.420 -2.162 2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.892 -0.961 0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.071 -0.974 -0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.910 -2.856 -1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.977 -3.652 0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.672 -4.304 0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.253 -3.487 1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.220 -2.691 0.727 1.00 0.00 H new ATOM 431 N LYS A 39 6.199 2.544 0.844 1.00 0.00 N ATOM 432 CA LYS A 39 5.973 3.435 -0.303 1.00 0.00 C ATOM 433 C LYS A 39 5.834 2.695 -1.654 1.00 0.00 C ATOM 434 O LYS A 39 6.570 1.740 -1.896 1.00 0.00 O ATOM 435 CB LYS A 39 7.101 4.489 -0.313 1.00 0.00 C ATOM 436 CG LYS A 39 8.542 3.961 -0.479 1.00 0.00 C ATOM 437 CD LYS A 39 9.546 5.060 -0.874 1.00 0.00 C ATOM 438 CE LYS A 39 9.618 6.271 0.075 1.00 0.00 C ATOM 439 NZ LYS A 39 10.210 5.944 1.406 1.00 0.00 N ATOM 0 H LYS A 39 7.159 2.584 1.186 1.00 0.00 H new ATOM 0 HA LYS A 39 5.006 3.924 -0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.902 5.193 -1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.050 5.051 0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.864 3.502 0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.551 3.179 -1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.538 4.614 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.291 5.418 -1.871 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.209 7.057 -0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.614 6.670 0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.230 6.800 1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.634 5.215 1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.179 5.589 1.277 1.00 0.00 H new ATOM 453 N LEU A 40 4.918 3.128 -2.532 1.00 0.00 N ATOM 454 CA LEU A 40 4.731 2.618 -3.904 1.00 0.00 C ATOM 455 C LEU A 40 4.405 3.768 -4.864 1.00 0.00 C ATOM 456 O LEU A 40 3.714 4.720 -4.508 1.00 0.00 O ATOM 457 CB LEU A 40 3.595 1.572 -3.935 1.00 0.00 C ATOM 458 CG LEU A 40 3.988 0.214 -3.329 1.00 0.00 C ATOM 459 CD1 LEU A 40 2.754 -0.620 -2.967 1.00 0.00 C ATOM 460 CD2 LEU A 40 4.888 -0.591 -4.273 1.00 0.00 C ATOM 0 H LEU A 40 4.260 3.872 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 40 5.659 2.145 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.735 1.966 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.280 1.422 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 40 4.545 0.433 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.071 -1.572 -2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.151 -0.079 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.162 -0.802 -3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.143 -1.543 -3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.362 -0.774 -5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.800 -0.029 -4.473 1.00 0.00 H new ATOM 472 N ASP A 41 4.898 3.677 -6.097 1.00 0.00 N ATOM 473 CA ASP A 41 5.021 4.854 -6.971 1.00 0.00 C ATOM 474 C ASP A 41 5.183 4.528 -8.474 1.00 0.00 C ATOM 475 O ASP A 41 6.209 4.832 -9.082 1.00 0.00 O ATOM 476 CB ASP A 41 6.123 5.802 -6.442 1.00 0.00 C ATOM 477 CG ASP A 41 7.559 5.244 -6.405 1.00 0.00 C ATOM 478 OD1 ASP A 41 7.828 4.305 -5.617 1.00 0.00 O ATOM 479 OD2 ASP A 41 8.431 5.802 -7.115 1.00 0.00 O ATOM 0 H ASP A 41 5.220 2.805 -6.518 1.00 0.00 H new ATOM 0 HA ASP A 41 4.064 5.373 -6.924 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.123 6.701 -7.059 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.851 6.109 -5.432 1.00 0.00 H new ATOM 484 N LEU A 42 4.158 3.923 -9.092 1.00 0.00 N ATOM 485 CA LEU A 42 4.071 3.786 -10.559 1.00 0.00 C ATOM 486 C LEU A 42 3.555 5.086 -11.210 1.00 0.00 C ATOM 487 O LEU A 42 4.342 5.944 -11.616 1.00 0.00 O ATOM 488 CB LEU A 42 3.179 2.584 -10.963 1.00 0.00 C ATOM 489 CG LEU A 42 3.742 1.156 -10.936 1.00 0.00 C ATOM 490 CD1 LEU A 42 5.218 1.094 -11.325 1.00 0.00 C ATOM 491 CD2 LEU A 42 3.561 0.499 -9.559 1.00 0.00 C ATOM 0 H LEU A 42 3.367 3.515 -8.594 1.00 0.00 H new ATOM 0 HA LEU A 42 5.079 3.596 -10.928 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.305 2.598 -10.312 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.825 2.772 -11.977 1.00 0.00 H new ATOM 0 HG LEU A 42 3.167 0.605 -11.680 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.561 0.060 -11.288 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.345 1.482 -12.336 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.803 1.695 -10.629 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.972 -0.510 -9.581 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.083 1.087 -8.804 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.500 0.453 -9.314 1.00 0.00 H new ATOM 503 N THR A 43 2.227 5.181 -11.361 1.00 0.00 N ATOM 504 CA THR A 43 1.480 6.173 -12.153 1.00 0.00 C ATOM 505 C THR A 43 0.188 6.510 -11.426 1.00 0.00 C ATOM 506 O THR A 43 -0.172 5.805 -10.488 1.00 0.00 O ATOM 507 CB THR A 43 1.126 5.603 -13.541 1.00 0.00 C ATOM 508 OG1 THR A 43 0.226 4.539 -13.332 1.00 0.00 O ATOM 509 CG2 THR A 43 2.329 5.100 -14.336 1.00 0.00 C ATOM 0 H THR A 43 1.600 4.521 -10.901 1.00 0.00 H new ATOM 0 HA THR A 43 2.099 7.062 -12.278 1.00 0.00 H new ATOM 0 HB THR A 43 0.699 6.409 -14.137 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.461 3.791 -13.920 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.994 4.716 -15.299 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.028 5.921 -14.496 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.825 4.304 -13.781 1.00 0.00 H new ATOM 517 N ARG A 44 -0.570 7.496 -11.920 1.00 0.00 N ATOM 518 CA ARG A 44 -1.945 7.762 -11.463 1.00 0.00 C ATOM 519 C ARG A 44 -2.843 6.522 -11.536 1.00 0.00 C ATOM 520 O ARG A 44 -3.636 6.264 -10.631 1.00 0.00 O ATOM 521 CB ARG A 44 -2.584 8.855 -12.329 1.00 0.00 C ATOM 522 CG ARG A 44 -2.089 10.256 -11.952 1.00 0.00 C ATOM 523 CD ARG A 44 -2.779 11.331 -12.800 1.00 0.00 C ATOM 524 NE ARG A 44 -2.518 12.684 -12.270 1.00 0.00 N ATOM 525 CZ ARG A 44 -2.704 13.833 -12.913 1.00 0.00 C ATOM 526 NH1 ARG A 44 -3.122 13.879 -14.161 1.00 0.00 N ATOM 527 NH2 ARG A 44 -2.472 14.972 -12.295 1.00 0.00 N ATOM 0 H ARG A 44 -0.250 8.134 -12.649 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.867 8.075 -10.422 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.360 8.662 -13.378 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.668 8.814 -12.222 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.283 10.442 -10.896 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.010 10.314 -12.093 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.426 11.267 -13.829 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.853 11.147 -12.820 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.160 12.743 -11.317 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.314 13.014 -14.667 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.253 14.779 -14.622 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.151 14.971 -11.327 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.613 15.856 -12.784 1.00 0.00 H new ATOM 541 N ALA A 45 -2.726 5.755 -12.621 1.00 0.00 N ATOM 542 CA ALA A 45 -3.565 4.592 -12.879 1.00 0.00 C ATOM 543 C ALA A 45 -3.227 3.445 -11.909 1.00 0.00 C ATOM 544 O ALA A 45 -4.119 2.919 -11.239 1.00 0.00 O ATOM 545 CB ALA A 45 -3.386 4.230 -14.358 1.00 0.00 C ATOM 0 H ALA A 45 -2.036 5.929 -13.352 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.619 4.803 -12.697 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.999 3.361 -14.597 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.693 5.072 -14.978 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.338 4.000 -14.552 1.00 0.00 H new ATOM 551 N GLU A 46 -1.946 3.110 -11.743 1.00 0.00 N ATOM 552 CA GLU A 46 -1.539 2.018 -10.864 1.00 0.00 C ATOM 553 C GLU A 46 -1.698 2.383 -9.383 1.00 0.00 C ATOM 554 O GLU A 46 -2.108 1.546 -8.582 1.00 0.00 O ATOM 555 CB GLU A 46 -0.102 1.666 -11.225 1.00 0.00 C ATOM 556 CG GLU A 46 -0.067 0.652 -12.365 1.00 0.00 C ATOM 557 CD GLU A 46 -0.763 1.140 -13.655 1.00 0.00 C ATOM 558 OE1 GLU A 46 -0.156 1.949 -14.398 1.00 0.00 O ATOM 559 OE2 GLU A 46 -1.914 0.714 -13.922 1.00 0.00 O ATOM 0 H GLU A 46 -1.172 3.583 -12.209 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.183 1.151 -11.009 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.437 2.568 -11.517 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.408 1.258 -10.352 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.971 0.411 -12.592 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.543 -0.271 -12.033 1.00 0.00 H new ATOM 566 N TYR A 47 -1.489 3.657 -9.048 1.00 0.00 N ATOM 567 CA TYR A 47 -2.017 4.276 -7.808 1.00 0.00 C ATOM 568 C TYR A 47 -3.510 3.964 -7.602 1.00 0.00 C ATOM 569 O TYR A 47 -3.875 3.447 -6.540 1.00 0.00 O ATOM 570 CB TYR A 47 -1.758 5.802 -7.788 1.00 0.00 C ATOM 571 CG TYR A 47 -2.713 6.707 -7.004 1.00 0.00 C ATOM 572 CD1 TYR A 47 -3.244 6.343 -5.754 1.00 0.00 C ATOM 573 CD2 TYR A 47 -3.097 7.941 -7.559 1.00 0.00 C ATOM 574 CE1 TYR A 47 -4.178 7.171 -5.098 1.00 0.00 C ATOM 575 CE2 TYR A 47 -4.042 8.771 -6.926 1.00 0.00 C ATOM 576 CZ TYR A 47 -4.601 8.377 -5.692 1.00 0.00 C ATOM 577 OH TYR A 47 -5.534 9.153 -5.068 1.00 0.00 O ATOM 0 H TYR A 47 -0.947 4.301 -9.625 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.475 3.833 -6.972 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.755 5.960 -7.392 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.751 6.148 -8.822 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.933 5.418 -5.291 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.657 8.259 -8.492 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.571 6.879 -4.135 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.337 9.704 -7.383 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.713 9.949 -5.610 1.00 0.00 H new ATOM 587 N GLU A 48 -4.365 4.251 -8.590 1.00 0.00 N ATOM 588 CA GLU A 48 -5.802 3.979 -8.506 1.00 0.00 C ATOM 589 C GLU A 48 -6.075 2.506 -8.175 1.00 0.00 C ATOM 590 O GLU A 48 -6.942 2.219 -7.348 1.00 0.00 O ATOM 591 CB GLU A 48 -6.520 4.366 -9.815 1.00 0.00 C ATOM 592 CG GLU A 48 -8.005 4.669 -9.601 1.00 0.00 C ATOM 593 CD GLU A 48 -8.229 5.987 -8.841 1.00 0.00 C ATOM 594 OE1 GLU A 48 -8.064 7.073 -9.447 1.00 0.00 O ATOM 595 OE2 GLU A 48 -8.605 5.951 -7.645 1.00 0.00 O ATOM 0 H GLU A 48 -4.079 4.679 -9.471 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.198 4.593 -7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.033 5.240 -10.248 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.418 3.554 -10.535 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.506 4.720 -10.568 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.464 3.850 -9.047 1.00 0.00 H new ATOM 602 N ILE A 49 -5.321 1.564 -8.764 1.00 0.00 N ATOM 603 CA ILE A 49 -5.569 0.130 -8.488 1.00 0.00 C ATOM 604 C ILE A 49 -4.972 -0.341 -7.174 1.00 0.00 C ATOM 605 O ILE A 49 -5.606 -1.157 -6.521 1.00 0.00 O ATOM 606 CB ILE A 49 -5.170 -0.836 -9.623 1.00 0.00 C ATOM 607 CG1 ILE A 49 -5.242 -0.212 -11.013 1.00 0.00 C ATOM 608 CG2 ILE A 49 -6.096 -2.075 -9.597 1.00 0.00 C ATOM 609 CD1 ILE A 49 -6.612 0.386 -11.323 1.00 0.00 C ATOM 0 H ILE A 49 -4.558 1.754 -9.414 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.656 0.088 -8.413 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.130 -1.105 -9.440 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.484 0.566 -11.096 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.004 -0.970 -11.759 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.814 -2.757 -10.399 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.998 -2.583 -8.637 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.130 -1.759 -9.736 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.603 0.815 -12.325 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.370 -0.395 -11.269 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.842 1.165 -10.596 1.00 0.00 H new ATOM 621 N LEU A 50 -3.817 0.168 -6.736 1.00 0.00 N ATOM 622 CA LEU A 50 -3.329 -0.121 -5.385 1.00 0.00 C ATOM 623 C LEU A 50 -4.344 0.354 -4.346 1.00 0.00 C ATOM 624 O LEU A 50 -4.678 -0.392 -3.438 1.00 0.00 O ATOM 625 CB LEU A 50 -2.002 0.613 -5.124 1.00 0.00 C ATOM 626 CG LEU A 50 -0.782 -0.274 -5.362 1.00 0.00 C ATOM 627 CD1 LEU A 50 0.461 0.624 -5.410 1.00 0.00 C ATOM 628 CD2 LEU A 50 -0.623 -1.364 -4.289 1.00 0.00 C ATOM 0 H LEU A 50 -3.210 0.774 -7.288 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.182 -1.198 -5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.942 1.488 -5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.988 0.975 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.914 -0.800 -6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.346 0.011 -5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.358 1.345 -6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.563 1.155 -4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.260 -1.964 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.511 -0.897 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.505 -2.004 -4.287 1.00 0.00 H new ATOM 640 N SER A 51 -4.852 1.575 -4.492 1.00 0.00 N ATOM 641 CA SER A 51 -5.942 2.107 -3.665 1.00 0.00 C ATOM 642 C SER A 51 -7.174 1.192 -3.675 1.00 0.00 C ATOM 643 O SER A 51 -7.635 0.785 -2.606 1.00 0.00 O ATOM 644 CB SER A 51 -6.345 3.509 -4.132 1.00 0.00 C ATOM 645 OG SER A 51 -5.237 4.386 -4.081 1.00 0.00 O ATOM 0 H SER A 51 -4.517 2.234 -5.195 1.00 0.00 H new ATOM 0 HA SER A 51 -5.564 2.158 -2.644 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.733 3.462 -5.150 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.148 3.892 -3.502 1.00 0.00 H new ATOM 0 HG SER A 51 -4.674 4.248 -4.871 1.00 0.00 H new ATOM 651 N LEU A 52 -7.673 0.808 -4.862 1.00 0.00 N ATOM 652 CA LEU A 52 -8.780 -0.140 -4.998 1.00 0.00 C ATOM 653 C LEU A 52 -8.468 -1.475 -4.301 1.00 0.00 C ATOM 654 O LEU A 52 -9.326 -2.018 -3.608 1.00 0.00 O ATOM 655 CB LEU A 52 -9.051 -0.352 -6.502 1.00 0.00 C ATOM 656 CG LEU A 52 -10.387 -1.062 -6.794 1.00 0.00 C ATOM 657 CD1 LEU A 52 -11.561 -0.074 -6.753 1.00 0.00 C ATOM 658 CD2 LEU A 52 -10.310 -1.761 -8.157 1.00 0.00 C ATOM 0 H LEU A 52 -7.315 1.150 -5.754 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.668 0.265 -4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.046 0.616 -7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.237 -0.937 -6.930 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.562 -1.809 -6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.490 -0.604 -6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.619 0.382 -5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.409 0.703 -7.503 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.256 -2.263 -8.362 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.115 -1.022 -8.934 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.505 -2.495 -8.144 1.00 0.00 H new ATOM 670 N LEU A 53 -7.247 -1.995 -4.469 1.00 0.00 N ATOM 671 CA LEU A 53 -6.817 -3.301 -3.965 1.00 0.00 C ATOM 672 C LEU A 53 -6.691 -3.275 -2.441 1.00 0.00 C ATOM 673 O LEU A 53 -7.288 -4.104 -1.764 1.00 0.00 O ATOM 674 CB LEU A 53 -5.488 -3.684 -4.640 1.00 0.00 C ATOM 675 CG LEU A 53 -5.086 -5.162 -4.445 1.00 0.00 C ATOM 676 CD1 LEU A 53 -5.638 -6.033 -5.582 1.00 0.00 C ATOM 677 CD2 LEU A 53 -3.568 -5.250 -4.368 1.00 0.00 C ATOM 0 H LEU A 53 -6.510 -1.503 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.564 -4.056 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.562 -3.476 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.696 -3.048 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.515 -5.539 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.342 -7.070 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.726 -5.965 -5.597 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.239 -5.684 -6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.270 -6.289 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.134 -4.868 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.211 -4.656 -3.527 1.00 0.00 H new ATOM 689 N ILE A 54 -5.955 -2.311 -1.886 1.00 0.00 N ATOM 690 CA ILE A 54 -5.864 -2.115 -0.428 1.00 0.00 C ATOM 691 C ILE A 54 -7.251 -1.897 0.214 1.00 0.00 C ATOM 692 O ILE A 54 -7.529 -2.494 1.256 1.00 0.00 O ATOM 693 CB ILE A 54 -4.884 -0.955 -0.116 1.00 0.00 C ATOM 694 CG1 ILE A 54 -3.445 -1.237 -0.618 1.00 0.00 C ATOM 695 CG2 ILE A 54 -4.845 -0.686 1.399 1.00 0.00 C ATOM 696 CD1 ILE A 54 -2.596 0.035 -0.766 1.00 0.00 C ATOM 0 H ILE A 54 -5.405 -1.644 -2.427 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.469 -3.027 0.020 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.257 -0.080 -0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.951 -1.917 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.496 -1.746 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.153 0.131 1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.842 -0.414 1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.512 -1.584 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.600 -0.231 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.069 0.707 -1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.516 0.533 0.200 1.00 0.00 H new ATOM 708 N SER A 55 -8.141 -1.106 -0.391 1.00 0.00 N ATOM 709 CA SER A 55 -9.489 -0.877 0.158 1.00 0.00 C ATOM 710 C SER A 55 -10.412 -2.109 0.088 1.00 0.00 C ATOM 711 O SER A 55 -11.169 -2.351 1.032 1.00 0.00 O ATOM 712 CB SER A 55 -10.178 0.301 -0.544 1.00 0.00 C ATOM 713 OG SER A 55 -9.612 1.539 -0.129 1.00 0.00 O ATOM 0 H SER A 55 -7.956 -0.610 -1.263 1.00 0.00 H new ATOM 0 HA SER A 55 -9.329 -0.651 1.212 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.079 0.195 -1.624 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.245 0.290 -0.319 1.00 0.00 H new ATOM 0 HG SER A 55 -10.064 2.276 -0.590 1.00 0.00 H new ATOM 719 N LYS A 56 -10.378 -2.899 -0.997 1.00 0.00 N ATOM 720 CA LYS A 56 -11.255 -4.078 -1.154 1.00 0.00 C ATOM 721 C LYS A 56 -10.727 -5.327 -0.420 1.00 0.00 C ATOM 722 O LYS A 56 -11.532 -6.148 0.026 1.00 0.00 O ATOM 723 CB LYS A 56 -11.549 -4.320 -2.652 1.00 0.00 C ATOM 724 CG LYS A 56 -10.462 -5.078 -3.439 1.00 0.00 C ATOM 725 CD LYS A 56 -10.649 -4.894 -4.956 1.00 0.00 C ATOM 726 CE LYS A 56 -9.661 -5.728 -5.794 1.00 0.00 C ATOM 727 NZ LYS A 56 -10.172 -7.110 -6.037 1.00 0.00 N ATOM 0 H LYS A 56 -9.749 -2.744 -1.785 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.204 -3.863 -0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.483 -4.876 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.710 -3.354 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.477 -4.717 -3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.501 -6.139 -3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.668 -5.170 -5.226 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.528 -3.840 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.485 -5.232 -6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.701 -5.780 -5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.481 -7.641 -6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.317 -7.592 -5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.075 -7.061 -6.550 1.00 0.00 H new ATOM 741 N LYS A 57 -9.394 -5.425 -0.309 1.00 0.00 N ATOM 742 CA LYS A 57 -8.483 -6.400 0.336 1.00 0.00 C ATOM 743 C LYS A 57 -7.428 -6.927 -0.653 1.00 0.00 C ATOM 744 O LYS A 57 -7.689 -7.037 -1.853 1.00 0.00 O ATOM 745 CB LYS A 57 -9.169 -7.530 1.126 1.00 0.00 C ATOM 746 CG LYS A 57 -9.728 -8.689 0.274 1.00 0.00 C ATOM 747 CD LYS A 57 -10.494 -9.736 1.105 1.00 0.00 C ATOM 748 CE LYS A 57 -11.679 -9.196 1.928 1.00 0.00 C ATOM 749 NZ LYS A 57 -12.735 -8.565 1.087 1.00 0.00 N ATOM 0 H LYS A 57 -8.830 -4.696 -0.745 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.970 -5.828 1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.453 -7.938 1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.986 -7.101 1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.392 -8.283 -0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.905 -9.179 -0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.865 -10.508 0.431 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.792 -10.218 1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.119 -10.013 2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.311 -8.465 2.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.562 -8.344 1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.366 -7.689 0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.015 -9.222 0.331 1.00 0.00 H new ATOM 763 N GLY A 58 -6.247 -7.279 -0.122 1.00 0.00 N ATOM 764 CA GLY A 58 -5.032 -7.548 -0.901 1.00 0.00 C ATOM 765 C GLY A 58 -5.237 -8.576 -2.012 1.00 0.00 C ATOM 766 O GLY A 58 -4.986 -8.258 -3.171 1.00 0.00 O ATOM 0 H GLY A 58 -6.109 -7.386 0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.677 -6.616 -1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.250 -7.902 -0.229 1.00 0.00 H new ATOM 770 N TYR A 59 -5.741 -9.773 -1.678 1.00 0.00 N ATOM 771 CA TYR A 59 -6.187 -10.777 -2.643 1.00 0.00 C ATOM 772 C TYR A 59 -5.046 -11.101 -3.622 1.00 0.00 C ATOM 773 O TYR A 59 -3.875 -11.157 -3.245 1.00 0.00 O ATOM 774 CB TYR A 59 -7.531 -10.283 -3.239 1.00 0.00 C ATOM 775 CG TYR A 59 -8.276 -11.265 -4.128 1.00 0.00 C ATOM 776 CD1 TYR A 59 -8.690 -12.510 -3.616 1.00 0.00 C ATOM 777 CD2 TYR A 59 -8.502 -10.957 -5.485 1.00 0.00 C ATOM 778 CE1 TYR A 59 -9.316 -13.451 -4.457 1.00 0.00 C ATOM 779 CE2 TYR A 59 -9.124 -11.894 -6.331 1.00 0.00 C ATOM 780 CZ TYR A 59 -9.532 -13.147 -5.821 1.00 0.00 C ATOM 781 OH TYR A 59 -10.130 -14.054 -6.645 1.00 0.00 O ATOM 0 H TYR A 59 -5.850 -10.072 -0.709 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.408 -11.749 -2.202 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.187 -10.002 -2.415 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.337 -9.379 -3.816 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.527 -12.744 -2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.197 -9.998 -5.877 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.631 -14.405 -4.060 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.290 -11.655 -7.371 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.200 -13.679 -7.548 1.00 0.00 H new ATOM 791 N VAL A 60 -5.383 -11.307 -4.882 1.00 0.00 N ATOM 792 CA VAL A 60 -4.446 -11.364 -6.001 1.00 0.00 C ATOM 793 C VAL A 60 -4.740 -10.193 -6.951 1.00 0.00 C ATOM 794 O VAL A 60 -5.836 -10.099 -7.502 1.00 0.00 O ATOM 795 CB VAL A 60 -4.537 -12.744 -6.683 1.00 0.00 C ATOM 796 CG1 VAL A 60 -3.521 -12.883 -7.821 1.00 0.00 C ATOM 797 CG2 VAL A 60 -4.276 -13.892 -5.689 1.00 0.00 C ATOM 0 H VAL A 60 -6.352 -11.445 -5.170 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.416 -11.256 -5.661 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.552 -12.811 -7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.617 -13.869 -8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.710 -12.117 -8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.513 -12.763 -7.425 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.349 -14.847 -6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.278 -13.786 -5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.016 -13.856 -4.890 1.00 0.00 H new ATOM 807 N PHE A 61 -3.755 -9.306 -7.134 1.00 0.00 N ATOM 808 CA PHE A 61 -3.699 -8.268 -8.165 1.00 0.00 C ATOM 809 C PHE A 61 -3.833 -8.959 -9.530 1.00 0.00 C ATOM 810 O PHE A 61 -3.012 -9.809 -9.883 1.00 0.00 O ATOM 811 CB PHE A 61 -2.359 -7.492 -8.058 1.00 0.00 C ATOM 812 CG PHE A 61 -2.377 -6.006 -7.725 1.00 0.00 C ATOM 813 CD1 PHE A 61 -3.326 -5.138 -8.293 1.00 0.00 C ATOM 814 CD2 PHE A 61 -1.347 -5.457 -6.931 1.00 0.00 C ATOM 815 CE1 PHE A 61 -3.208 -3.755 -8.119 1.00 0.00 C ATOM 816 CE2 PHE A 61 -1.207 -4.064 -6.792 1.00 0.00 C ATOM 817 CZ PHE A 61 -2.140 -3.212 -7.400 1.00 0.00 C ATOM 0 H PHE A 61 -2.931 -9.294 -6.533 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.506 -7.547 -8.038 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.753 -7.989 -7.300 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.838 -7.607 -9.008 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.149 -5.540 -8.865 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.657 -6.115 -6.423 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.952 -3.099 -8.546 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.387 -3.654 -6.221 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.034 -2.141 -7.313 1.00 0.00 H new ATOM 827 N SER A 62 -4.900 -8.627 -10.257 1.00 0.00 N ATOM 828 CA SER A 62 -5.339 -9.329 -11.473 1.00 0.00 C ATOM 829 C SER A 62 -5.333 -8.412 -12.699 1.00 0.00 C ATOM 830 O SER A 62 -5.898 -7.317 -12.647 1.00 0.00 O ATOM 831 CB SER A 62 -6.792 -9.795 -11.299 1.00 0.00 C ATOM 832 OG SER A 62 -6.931 -10.753 -10.257 1.00 0.00 O ATOM 0 H SER A 62 -5.503 -7.841 -10.013 1.00 0.00 H new ATOM 0 HA SER A 62 -4.648 -10.159 -11.622 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.424 -8.933 -11.084 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.148 -10.226 -12.235 1.00 0.00 H new ATOM 0 HG SER A 62 -6.516 -10.409 -9.439 1.00 0.00 H new ATOM 838 N ARG A 63 -4.794 -8.882 -13.832 1.00 0.00 N ATOM 839 CA ARG A 63 -4.684 -8.079 -15.062 1.00 0.00 C ATOM 840 C ARG A 63 -6.039 -7.533 -15.552 1.00 0.00 C ATOM 841 O ARG A 63 -6.145 -6.346 -15.835 1.00 0.00 O ATOM 842 CB ARG A 63 -3.886 -8.853 -16.129 1.00 0.00 C ATOM 843 CG ARG A 63 -4.592 -10.091 -16.705 1.00 0.00 C ATOM 844 CD ARG A 63 -3.687 -10.818 -17.711 1.00 0.00 C ATOM 845 NE ARG A 63 -4.479 -11.588 -18.683 1.00 0.00 N ATOM 846 CZ ARG A 63 -5.068 -12.766 -18.523 1.00 0.00 C ATOM 847 NH1 ARG A 63 -4.981 -13.461 -17.406 1.00 0.00 N ATOM 848 NH2 ARG A 63 -5.773 -13.255 -19.517 1.00 0.00 N ATOM 0 H ARG A 63 -4.422 -9.827 -13.924 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.116 -7.177 -14.834 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.653 -8.174 -16.949 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.937 -9.166 -15.694 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.863 -10.770 -15.896 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.519 -9.792 -17.194 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.068 -10.092 -18.237 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.011 -11.487 -17.178 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.590 -11.159 -19.602 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.444 -13.097 -16.619 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.451 -14.363 -17.329 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.858 -12.731 -20.388 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.235 -14.159 -19.418 1.00 0.00 H new ATOM 862 N GLU A 64 -7.107 -8.340 -15.534 1.00 0.00 N ATOM 863 CA GLU A 64 -8.463 -7.907 -15.876 1.00 0.00 C ATOM 864 C GLU A 64 -8.988 -6.802 -14.936 1.00 0.00 C ATOM 865 O GLU A 64 -9.528 -5.805 -15.406 1.00 0.00 O ATOM 866 CB GLU A 64 -9.387 -9.130 -15.843 1.00 0.00 C ATOM 867 CG GLU A 64 -9.127 -10.098 -17.005 1.00 0.00 C ATOM 868 CD GLU A 64 -10.087 -11.295 -16.943 1.00 0.00 C ATOM 869 OE1 GLU A 64 -9.751 -12.310 -16.287 1.00 0.00 O ATOM 870 OE2 GLU A 64 -11.182 -11.235 -17.551 1.00 0.00 O ATOM 0 H GLU A 64 -7.050 -9.326 -15.278 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.444 -7.471 -16.875 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.252 -9.657 -14.899 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.425 -8.798 -15.877 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.251 -9.576 -17.954 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.096 -10.450 -16.967 1.00 0.00 H new ATOM 877 N SER A 65 -8.793 -6.907 -13.617 1.00 0.00 N ATOM 878 CA SER A 65 -9.208 -5.846 -12.679 1.00 0.00 C ATOM 879 C SER A 65 -8.427 -4.544 -12.920 1.00 0.00 C ATOM 880 O SER A 65 -8.996 -3.448 -12.907 1.00 0.00 O ATOM 881 CB SER A 65 -9.024 -6.308 -11.227 1.00 0.00 C ATOM 882 OG SER A 65 -9.741 -7.516 -10.988 1.00 0.00 O ATOM 0 H SER A 65 -8.352 -7.712 -13.171 1.00 0.00 H new ATOM 0 HA SER A 65 -10.264 -5.645 -12.858 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.965 -6.461 -11.020 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.373 -5.532 -10.546 1.00 0.00 H new ATOM 0 HG SER A 65 -9.610 -7.796 -10.058 1.00 0.00 H new ATOM 888 N ILE A 66 -7.127 -4.663 -13.224 1.00 0.00 N ATOM 889 CA ILE A 66 -6.296 -3.513 -13.644 1.00 0.00 C ATOM 890 C ILE A 66 -6.815 -2.894 -14.956 1.00 0.00 C ATOM 891 O ILE A 66 -6.937 -1.675 -15.059 1.00 0.00 O ATOM 892 CB ILE A 66 -4.802 -3.911 -13.744 1.00 0.00 C ATOM 893 CG1 ILE A 66 -4.293 -4.556 -12.425 1.00 0.00 C ATOM 894 CG2 ILE A 66 -3.962 -2.697 -14.172 1.00 0.00 C ATOM 895 CD1 ILE A 66 -3.037 -3.961 -11.773 1.00 0.00 C ATOM 0 H ILE A 66 -6.621 -5.548 -13.188 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.376 -2.744 -12.875 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.693 -4.676 -14.513 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.102 -4.510 -11.696 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.100 -5.611 -12.621 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.913 -2.986 -14.240 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.304 -2.342 -15.144 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.072 -1.901 -13.436 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.803 -4.513 -10.863 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.199 -4.032 -12.466 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.216 -2.914 -11.527 1.00 0.00 H new ATOM 907 N ALA A 67 -7.180 -3.711 -15.942 1.00 0.00 N ATOM 908 CA ALA A 67 -7.779 -3.277 -17.204 1.00 0.00 C ATOM 909 C ALA A 67 -9.163 -2.635 -17.016 1.00 0.00 C ATOM 910 O ALA A 67 -9.573 -1.826 -17.845 1.00 0.00 O ATOM 911 CB ALA A 67 -7.876 -4.479 -18.148 1.00 0.00 C ATOM 0 H ALA A 67 -7.064 -4.723 -15.884 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.136 -2.507 -17.631 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.322 -4.165 -19.092 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.879 -4.878 -18.332 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.497 -5.250 -17.692 1.00 0.00 H new ATOM 917 N ILE A 68 -9.881 -2.976 -15.940 1.00 0.00 N ATOM 918 CA ILE A 68 -11.175 -2.361 -15.607 1.00 0.00 C ATOM 919 C ILE A 68 -10.997 -0.989 -14.923 1.00 0.00 C ATOM 920 O ILE A 68 -11.683 -0.050 -15.336 1.00 0.00 O ATOM 921 CB ILE A 68 -12.060 -3.359 -14.821 1.00 0.00 C ATOM 922 CG1 ILE A 68 -12.502 -4.523 -15.745 1.00 0.00 C ATOM 923 CG2 ILE A 68 -13.321 -2.678 -14.257 1.00 0.00 C ATOM 924 CD1 ILE A 68 -13.023 -5.752 -14.988 1.00 0.00 C ATOM 0 H ILE A 68 -9.582 -3.687 -15.273 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.714 -2.140 -16.529 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.462 -3.737 -13.992 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.282 -4.165 -16.417 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.658 -4.822 -16.366 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.917 -3.410 -13.712 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.029 -1.873 -13.582 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.911 -2.268 -15.077 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.313 -6.523 -15.702 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -12.239 -6.137 -14.336 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -13.888 -5.470 -14.388 1.00 0.00 H new ATOM 936 N GLU A 69 -10.096 -0.826 -13.935 1.00 0.00 N ATOM 937 CA GLU A 69 -9.963 0.460 -13.211 1.00 0.00 C ATOM 938 C GLU A 69 -8.765 1.358 -13.626 1.00 0.00 C ATOM 939 O GLU A 69 -8.849 2.572 -13.437 1.00 0.00 O ATOM 940 CB GLU A 69 -10.006 0.239 -11.680 1.00 0.00 C ATOM 941 CG GLU A 69 -11.292 0.759 -11.025 1.00 0.00 C ATOM 942 CD GLU A 69 -12.543 -0.061 -11.378 1.00 0.00 C ATOM 943 OE1 GLU A 69 -12.646 -1.236 -10.955 1.00 0.00 O ATOM 944 OE2 GLU A 69 -13.464 0.493 -12.025 1.00 0.00 O ATOM 0 H GLU A 69 -9.456 -1.556 -13.621 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.834 1.037 -13.522 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.906 -0.826 -11.471 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.149 0.735 -11.225 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.163 0.760 -9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.450 1.794 -11.328 1.00 0.00 H new ATOM 951 N SER A 70 -7.663 0.836 -14.190 1.00 0.00 N ATOM 952 CA SER A 70 -6.499 1.641 -14.642 1.00 0.00 C ATOM 953 C SER A 70 -6.594 1.906 -16.155 1.00 0.00 C ATOM 954 O SER A 70 -6.552 3.064 -16.576 1.00 0.00 O ATOM 955 CB SER A 70 -5.150 1.006 -14.205 1.00 0.00 C ATOM 956 OG SER A 70 -4.169 0.920 -15.220 1.00 0.00 O ATOM 0 H SER A 70 -7.547 -0.165 -14.350 1.00 0.00 H new ATOM 0 HA SER A 70 -6.528 2.611 -14.146 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.744 1.588 -13.378 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.345 0.003 -13.824 1.00 0.00 H new ATOM 0 HG SER A 70 -3.355 0.515 -14.855 1.00 0.00 H new ATOM 962 N GLU A 71 -6.832 0.852 -16.952 1.00 0.00 N ATOM 963 CA GLU A 71 -7.612 0.881 -18.204 1.00 0.00 C ATOM 964 C GLU A 71 -6.977 1.618 -19.411 1.00 0.00 C ATOM 965 O GLU A 71 -7.436 1.459 -20.541 1.00 0.00 O ATOM 966 CB GLU A 71 -9.030 1.400 -17.877 1.00 0.00 C ATOM 967 CG GLU A 71 -10.025 1.232 -19.035 1.00 0.00 C ATOM 968 CD GLU A 71 -11.477 1.507 -18.611 1.00 0.00 C ATOM 969 OE1 GLU A 71 -11.767 2.617 -18.102 1.00 0.00 O ATOM 970 OE2 GLU A 71 -12.361 0.650 -18.859 1.00 0.00 O ATOM 0 H GLU A 71 -6.474 -0.079 -16.736 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.639 -0.146 -18.569 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.409 0.871 -17.003 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.970 2.455 -17.610 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.752 1.909 -19.845 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.951 0.218 -19.429 1.00 0.00 H new ATOM 977 N SER A 72 -5.896 2.376 -19.237 1.00 0.00 N ATOM 978 CA SER A 72 -5.206 3.186 -20.266 1.00 0.00 C ATOM 979 C SER A 72 -4.434 2.368 -21.340 1.00 0.00 C ATOM 980 O SER A 72 -3.429 2.814 -21.902 1.00 0.00 O ATOM 981 CB SER A 72 -4.304 4.211 -19.551 1.00 0.00 C ATOM 982 OG SER A 72 -3.385 3.588 -18.655 1.00 0.00 O ATOM 0 H SER A 72 -5.444 2.453 -18.326 1.00 0.00 H new ATOM 0 HA SER A 72 -5.973 3.695 -20.850 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.751 4.786 -20.294 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.925 4.916 -18.999 1.00 0.00 H new ATOM 0 HG SER A 72 -2.832 4.273 -18.225 1.00 0.00 H new ATOM 988 N ILE A 73 -4.897 1.145 -21.621 1.00 0.00 N ATOM 989 CA ILE A 73 -4.233 0.075 -22.377 1.00 0.00 C ATOM 990 C ILE A 73 -5.241 -0.542 -23.363 1.00 0.00 C ATOM 991 O ILE A 73 -6.376 -0.848 -22.986 1.00 0.00 O ATOM 992 CB ILE A 73 -3.703 -0.986 -21.377 1.00 0.00 C ATOM 993 CG1 ILE A 73 -2.742 -0.390 -20.318 1.00 0.00 C ATOM 994 CG2 ILE A 73 -3.061 -2.180 -22.107 1.00 0.00 C ATOM 995 CD1 ILE A 73 -1.352 0.018 -20.819 1.00 0.00 C ATOM 0 H ILE A 73 -5.820 0.854 -21.300 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.391 0.467 -22.948 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.573 -1.353 -20.833 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.218 0.486 -19.878 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.617 -1.121 -19.519 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.701 -2.903 -21.375 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.802 -2.654 -22.751 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.225 -1.830 -22.712 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.770 0.421 -19.990 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.843 -0.854 -21.230 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.453 0.778 -21.594 1.00 0.00 H new ATOM 1007 N ASN A 74 -4.845 -0.727 -24.627 1.00 0.00 N ATOM 1008 CA ASN A 74 -5.761 -1.125 -25.708 1.00 0.00 C ATOM 1009 C ASN A 74 -6.361 -2.550 -25.558 1.00 0.00 C ATOM 1010 O ASN A 74 -7.593 -2.659 -25.610 1.00 0.00 O ATOM 1011 CB ASN A 74 -5.083 -0.902 -27.074 1.00 0.00 C ATOM 1012 CG ASN A 74 -4.818 0.576 -27.349 1.00 0.00 C ATOM 1013 OD1 ASN A 74 -3.722 1.080 -27.128 1.00 0.00 O ATOM 1014 ND2 ASN A 74 -5.809 1.316 -27.817 1.00 0.00 N ATOM 0 H ASN A 74 -3.879 -0.605 -24.932 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.634 -0.476 -25.637 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.142 -1.451 -27.105 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.715 -1.309 -27.863 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.663 2.310 -27.995 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.719 0.893 -28.000 1.00 0.00 H new ATOM 1021 N PRO A 75 -5.570 -3.634 -25.373 1.00 0.00 N ATOM 1022 CA PRO A 75 -6.109 -4.982 -25.175 1.00 0.00 C ATOM 1023 C PRO A 75 -6.693 -5.159 -23.765 1.00 0.00 C ATOM 1024 O PRO A 75 -6.066 -4.784 -22.775 1.00 0.00 O ATOM 1025 CB PRO A 75 -4.939 -5.941 -25.430 1.00 0.00 C ATOM 1026 CG PRO A 75 -3.714 -5.108 -25.054 1.00 0.00 C ATOM 1027 CD PRO A 75 -4.117 -3.706 -25.507 1.00 0.00 C ATOM 0 HA PRO A 75 -6.937 -5.180 -25.855 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.016 -6.841 -24.820 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.902 -6.263 -26.471 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.510 -5.146 -23.984 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.815 -5.456 -25.562 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.632 -2.945 -24.895 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.812 -3.528 -26.538 1.00 0.00 H new ATOM 1035 N GLU A 76 -7.877 -5.776 -23.675 1.00 0.00 N ATOM 1036 CA GLU A 76 -8.610 -5.993 -22.418 1.00 0.00 C ATOM 1037 C GLU A 76 -8.017 -7.101 -21.522 1.00 0.00 C ATOM 1038 O GLU A 76 -8.284 -7.133 -20.320 1.00 0.00 O ATOM 1039 CB GLU A 76 -10.089 -6.267 -22.742 1.00 0.00 C ATOM 1040 CG GLU A 76 -10.347 -7.589 -23.483 1.00 0.00 C ATOM 1041 CD GLU A 76 -11.838 -7.748 -23.811 1.00 0.00 C ATOM 1042 OE1 GLU A 76 -12.590 -8.320 -22.987 1.00 0.00 O ATOM 1043 OE2 GLU A 76 -12.272 -7.309 -24.904 1.00 0.00 O ATOM 0 H GLU A 76 -8.364 -6.147 -24.491 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.514 -5.082 -21.828 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.657 -6.270 -21.812 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.473 -5.446 -23.347 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.763 -7.615 -24.403 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.014 -8.426 -22.870 1.00 0.00 H new ATOM 1050 N SER A 77 -7.191 -7.994 -22.078 1.00 0.00 N ATOM 1051 CA SER A 77 -6.379 -8.938 -21.288 1.00 0.00 C ATOM 1052 C SER A 77 -5.222 -8.211 -20.582 1.00 0.00 C ATOM 1053 O SER A 77 -4.909 -8.512 -19.434 1.00 0.00 O ATOM 1054 CB SER A 77 -5.848 -10.040 -22.218 1.00 0.00 C ATOM 1055 OG SER A 77 -5.130 -11.044 -21.510 1.00 0.00 O ATOM 0 H SER A 77 -7.064 -8.086 -23.086 1.00 0.00 H new ATOM 0 HA SER A 77 -7.000 -9.387 -20.513 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.683 -10.499 -22.748 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.198 -9.595 -22.971 1.00 0.00 H new ATOM 0 HG SER A 77 -4.812 -11.724 -22.140 1.00 0.00 H new ATOM 1061 N SER A 78 -4.617 -7.206 -21.229 1.00 0.00 N ATOM 1062 CA SER A 78 -3.675 -6.235 -20.633 1.00 0.00 C ATOM 1063 C SER A 78 -2.374 -6.848 -20.074 1.00 0.00 C ATOM 1064 O SER A 78 -1.717 -6.247 -19.227 1.00 0.00 O ATOM 1065 CB SER A 78 -4.401 -5.359 -19.595 1.00 0.00 C ATOM 1066 OG SER A 78 -4.617 -6.060 -18.388 1.00 0.00 O ATOM 0 H SER A 78 -4.773 -7.036 -22.222 1.00 0.00 H new ATOM 0 HA SER A 78 -3.331 -5.606 -21.454 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.812 -4.464 -19.397 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.357 -5.028 -20.001 1.00 0.00 H new ATOM 0 HG SER A 78 -4.639 -7.023 -18.568 1.00 0.00 H new ATOM 1072 N ASN A 79 -1.954 -8.029 -20.540 1.00 0.00 N ATOM 1073 CA ASN A 79 -0.754 -8.717 -20.035 1.00 0.00 C ATOM 1074 C ASN A 79 0.510 -7.826 -20.043 1.00 0.00 C ATOM 1075 O ASN A 79 1.300 -7.861 -19.102 1.00 0.00 O ATOM 1076 CB ASN A 79 -0.555 -9.995 -20.864 1.00 0.00 C ATOM 1077 CG ASN A 79 0.680 -10.783 -20.429 1.00 0.00 C ATOM 1078 OD1 ASN A 79 1.741 -10.687 -21.034 1.00 0.00 O ATOM 1079 ND2 ASN A 79 0.585 -11.563 -19.365 1.00 0.00 N ATOM 0 H ASN A 79 -2.436 -8.539 -21.280 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.910 -8.967 -18.986 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.438 -10.627 -20.770 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.462 -9.731 -21.917 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.398 -12.089 -19.044 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.301 -11.639 -18.866 1.00 0.00 H new ATOM 1086 N LYS A 80 0.665 -6.954 -21.052 1.00 0.00 N ATOM 1087 CA LYS A 80 1.758 -5.966 -21.115 1.00 0.00 C ATOM 1088 C LYS A 80 1.587 -4.826 -20.094 1.00 0.00 C ATOM 1089 O LYS A 80 2.585 -4.317 -19.586 1.00 0.00 O ATOM 1090 CB LYS A 80 1.886 -5.431 -22.557 1.00 0.00 C ATOM 1091 CG LYS A 80 2.697 -6.333 -23.507 1.00 0.00 C ATOM 1092 CD LYS A 80 2.083 -7.720 -23.773 1.00 0.00 C ATOM 1093 CE LYS A 80 2.899 -8.548 -24.780 1.00 0.00 C ATOM 1094 NZ LYS A 80 2.812 -8.026 -26.173 1.00 0.00 N ATOM 0 H LYS A 80 0.033 -6.913 -21.852 1.00 0.00 H new ATOM 0 HA LYS A 80 2.685 -6.469 -20.840 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.886 -5.296 -22.970 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.353 -4.447 -22.525 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.816 -5.817 -24.460 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.695 -6.468 -23.091 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.011 -8.267 -22.833 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.067 -7.597 -24.149 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.943 -8.562 -24.468 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.547 -9.580 -24.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.382 -8.625 -26.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.820 -8.037 -26.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.173 -7.051 -26.202 1.00 0.00 H new ATOM 1108 N SER A 81 0.353 -4.481 -19.712 1.00 0.00 N ATOM 1109 CA SER A 81 0.103 -3.625 -18.544 1.00 0.00 C ATOM 1110 C SER A 81 0.689 -4.275 -17.292 1.00 0.00 C ATOM 1111 O SER A 81 1.637 -3.734 -16.738 1.00 0.00 O ATOM 1112 CB SER A 81 -1.390 -3.320 -18.336 1.00 0.00 C ATOM 1113 OG SER A 81 -1.525 -2.265 -17.397 1.00 0.00 O ATOM 0 H SER A 81 -0.493 -4.782 -20.196 1.00 0.00 H new ATOM 0 HA SER A 81 0.595 -2.671 -18.733 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.852 -3.041 -19.283 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.909 -4.210 -17.978 1.00 0.00 H new ATOM 0 HG SER A 81 -2.475 -2.066 -17.263 1.00 0.00 H new ATOM 1119 N ILE A 82 0.224 -5.459 -16.866 1.00 0.00 N ATOM 1120 CA ILE A 82 0.681 -6.023 -15.574 1.00 0.00 C ATOM 1121 C ILE A 82 2.184 -6.318 -15.541 1.00 0.00 C ATOM 1122 O ILE A 82 2.836 -6.111 -14.519 1.00 0.00 O ATOM 1123 CB ILE A 82 -0.187 -7.222 -15.144 1.00 0.00 C ATOM 1124 CG1 ILE A 82 -0.296 -7.224 -13.599 1.00 0.00 C ATOM 1125 CG2 ILE A 82 0.288 -8.580 -15.689 1.00 0.00 C ATOM 1126 CD1 ILE A 82 -1.423 -8.096 -13.042 1.00 0.00 C ATOM 0 H ILE A 82 -0.448 -6.034 -17.374 1.00 0.00 H new ATOM 0 HA ILE A 82 0.537 -5.247 -14.822 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.172 -7.092 -15.592 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.651 -7.566 -13.181 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.444 -6.200 -13.257 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.380 -9.367 -15.337 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.280 -8.558 -16.779 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.300 -8.779 -15.337 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.425 -8.037 -11.954 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.380 -7.743 -13.426 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.268 -9.130 -13.349 1.00 0.00 H new ATOM 1138 N ASP A 83 2.728 -6.698 -16.693 1.00 0.00 N ATOM 1139 CA ASP A 83 4.174 -6.811 -16.932 1.00 0.00 C ATOM 1140 C ASP A 83 4.925 -5.478 -16.718 1.00 0.00 C ATOM 1141 O ASP A 83 5.925 -5.471 -15.997 1.00 0.00 O ATOM 1142 CB ASP A 83 4.429 -7.364 -18.338 1.00 0.00 C ATOM 1143 CG ASP A 83 5.928 -7.571 -18.605 1.00 0.00 C ATOM 1144 OD1 ASP A 83 6.509 -8.539 -18.059 1.00 0.00 O ATOM 1145 OD2 ASP A 83 6.516 -6.776 -19.376 1.00 0.00 O ATOM 0 H ASP A 83 2.168 -6.943 -17.509 1.00 0.00 H new ATOM 0 HA ASP A 83 4.571 -7.506 -16.192 1.00 0.00 H new ATOM 0 HB2 ASP A 83 3.904 -8.312 -18.457 1.00 0.00 H new ATOM 0 HB3 ASP A 83 4.019 -6.678 -19.079 1.00 0.00 H new ATOM 1150 N VAL A 84 4.441 -4.350 -17.269 1.00 0.00 N ATOM 1151 CA VAL A 84 4.968 -3.008 -16.918 1.00 0.00 C ATOM 1152 C VAL A 84 4.768 -2.721 -15.440 1.00 0.00 C ATOM 1153 O VAL A 84 5.681 -2.211 -14.805 1.00 0.00 O ATOM 1154 CB VAL A 84 4.330 -1.837 -17.710 1.00 0.00 C ATOM 1155 CG1 VAL A 84 4.655 -0.431 -17.161 1.00 0.00 C ATOM 1156 CG2 VAL A 84 4.846 -1.877 -19.161 1.00 0.00 C ATOM 0 H VAL A 84 3.688 -4.335 -17.957 1.00 0.00 H new ATOM 0 HA VAL A 84 6.024 -3.055 -17.184 1.00 0.00 H new ATOM 0 HB VAL A 84 3.253 -1.983 -17.625 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.166 0.323 -17.778 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.295 -0.349 -16.135 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.733 -0.273 -17.181 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.403 -1.057 -19.727 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.931 -1.776 -19.164 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.569 -2.826 -19.620 1.00 0.00 H new ATOM 1166 N ILE A 85 3.588 -3.011 -14.887 1.00 0.00 N ATOM 1167 CA ILE A 85 3.228 -2.600 -13.530 1.00 0.00 C ATOM 1168 C ILE A 85 4.167 -3.276 -12.543 1.00 0.00 C ATOM 1169 O ILE A 85 4.841 -2.580 -11.797 1.00 0.00 O ATOM 1170 CB ILE A 85 1.732 -2.875 -13.228 1.00 0.00 C ATOM 1171 CG1 ILE A 85 0.709 -2.166 -14.165 1.00 0.00 C ATOM 1172 CG2 ILE A 85 1.416 -2.539 -11.756 1.00 0.00 C ATOM 1173 CD1 ILE A 85 1.206 -1.025 -15.071 1.00 0.00 C ATOM 0 H ILE A 85 2.857 -3.536 -15.367 1.00 0.00 H new ATOM 0 HA ILE A 85 3.349 -1.521 -13.430 1.00 0.00 H new ATOM 0 HB ILE A 85 1.603 -3.939 -13.426 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.264 -2.927 -14.806 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.091 -1.768 -13.541 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.363 -2.736 -11.556 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.031 -3.156 -11.102 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.630 -1.487 -11.569 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.374 -0.638 -15.659 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.618 -0.225 -14.456 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.979 -1.402 -15.741 1.00 0.00 H new ATOM 1185 N ILE A 86 4.284 -4.602 -12.576 1.00 0.00 N ATOM 1186 CA ILE A 86 5.130 -5.344 -11.631 1.00 0.00 C ATOM 1187 C ILE A 86 6.617 -5.238 -11.985 1.00 0.00 C ATOM 1188 O ILE A 86 7.436 -5.134 -11.074 1.00 0.00 O ATOM 1189 CB ILE A 86 4.638 -6.800 -11.497 1.00 0.00 C ATOM 1190 CG1 ILE A 86 3.156 -6.871 -11.056 1.00 0.00 C ATOM 1191 CG2 ILE A 86 5.529 -7.586 -10.515 1.00 0.00 C ATOM 1192 CD1 ILE A 86 2.813 -6.246 -9.695 1.00 0.00 C ATOM 0 H ILE A 86 3.800 -5.193 -13.252 1.00 0.00 H new ATOM 0 HA ILE A 86 5.035 -4.882 -10.648 1.00 0.00 H new ATOM 0 HB ILE A 86 4.709 -7.258 -12.483 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.550 -6.381 -11.818 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.857 -7.919 -11.035 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.166 -8.610 -10.434 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.556 -7.593 -10.881 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.497 -7.111 -9.534 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.746 -6.360 -9.501 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.380 -6.748 -8.911 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.069 -5.186 -9.706 1.00 0.00 H new ATOM 1204 N GLY A 87 6.990 -5.156 -13.268 1.00 0.00 N ATOM 1205 CA GLY A 87 8.385 -4.930 -13.674 1.00 0.00 C ATOM 1206 C GLY A 87 8.895 -3.558 -13.229 1.00 0.00 C ATOM 1207 O GLY A 87 10.013 -3.441 -12.723 1.00 0.00 O ATOM 0 H GLY A 87 6.340 -5.243 -14.049 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.018 -5.708 -13.247 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.465 -5.013 -14.758 1.00 0.00 H new ATOM 1211 N ARG A 88 8.055 -2.522 -13.330 1.00 0.00 N ATOM 1212 CA ARG A 88 8.366 -1.167 -12.865 1.00 0.00 C ATOM 1213 C ARG A 88 8.169 -1.019 -11.349 1.00 0.00 C ATOM 1214 O ARG A 88 8.900 -0.247 -10.744 1.00 0.00 O ATOM 1215 CB ARG A 88 7.598 -0.140 -13.716 1.00 0.00 C ATOM 1216 CG ARG A 88 8.116 1.300 -13.544 1.00 0.00 C ATOM 1217 CD ARG A 88 7.444 2.274 -14.525 1.00 0.00 C ATOM 1218 NE ARG A 88 7.832 2.000 -15.924 1.00 0.00 N ATOM 1219 CZ ARG A 88 7.222 2.436 -17.021 1.00 0.00 C ATOM 1220 NH1 ARG A 88 6.160 3.213 -16.974 1.00 0.00 N ATOM 1221 NH2 ARG A 88 7.685 2.091 -18.203 1.00 0.00 N ATOM 0 H ARG A 88 7.126 -2.603 -13.743 1.00 0.00 H new ATOM 0 HA ARG A 88 9.427 -0.964 -13.013 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.670 -0.422 -14.766 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.542 -0.174 -13.449 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.933 1.631 -12.522 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.195 1.318 -13.697 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.361 2.199 -14.427 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.717 3.297 -14.266 1.00 0.00 H new ATOM 0 HE ARG A 88 8.655 1.414 -16.062 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.778 3.501 -16.073 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.719 3.527 -17.839 1.00 0.00 H new ATOM 0 HH21 ARG A 88 8.508 1.492 -18.274 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.221 2.422 -19.049 1.00 0.00 H new ATOM 1235 N LEU A 89 7.316 -1.816 -10.690 1.00 0.00 N ATOM 1236 CA LEU A 89 7.313 -1.982 -9.225 1.00 0.00 C ATOM 1237 C LEU A 89 8.671 -2.536 -8.768 1.00 0.00 C ATOM 1238 O LEU A 89 9.309 -1.931 -7.912 1.00 0.00 O ATOM 1239 CB LEU A 89 6.120 -2.882 -8.820 1.00 0.00 C ATOM 1240 CG LEU A 89 5.568 -2.703 -7.396 1.00 0.00 C ATOM 1241 CD1 LEU A 89 4.366 -3.640 -7.206 1.00 0.00 C ATOM 1242 CD2 LEU A 89 6.608 -2.973 -6.303 1.00 0.00 C ATOM 0 H LEU A 89 6.601 -2.370 -11.161 1.00 0.00 H new ATOM 0 HA LEU A 89 7.180 -1.024 -8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.307 -2.705 -9.524 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.424 -3.922 -8.938 1.00 0.00 H new ATOM 0 HG LEU A 89 5.273 -1.659 -7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.967 -3.521 -6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.593 -3.393 -7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.683 -4.673 -7.350 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.152 -2.829 -5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.968 -3.998 -6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.445 -2.284 -6.419 1.00 0.00 H new ATOM 1254 N ARG A 90 9.176 -3.600 -9.410 1.00 0.00 N ATOM 1255 CA ARG A 90 10.530 -4.130 -9.177 1.00 0.00 C ATOM 1256 C ARG A 90 11.584 -3.038 -9.386 1.00 0.00 C ATOM 1257 O ARG A 90 12.440 -2.850 -8.529 1.00 0.00 O ATOM 1258 CB ARG A 90 10.796 -5.370 -10.056 1.00 0.00 C ATOM 1259 CG ARG A 90 11.671 -6.439 -9.376 1.00 0.00 C ATOM 1260 CD ARG A 90 13.148 -6.074 -9.155 1.00 0.00 C ATOM 1261 NE ARG A 90 13.854 -7.204 -8.523 1.00 0.00 N ATOM 1262 CZ ARG A 90 15.160 -7.453 -8.525 1.00 0.00 C ATOM 1263 NH1 ARG A 90 16.044 -6.666 -9.102 1.00 0.00 N ATOM 1264 NH2 ARG A 90 15.607 -8.536 -7.926 1.00 0.00 N ATOM 0 H ARG A 90 8.652 -4.122 -10.112 1.00 0.00 H new ATOM 0 HA ARG A 90 10.601 -4.453 -8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.842 -5.818 -10.334 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.280 -5.052 -10.980 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.229 -6.677 -8.408 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.630 -7.347 -9.977 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.617 -5.827 -10.107 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.223 -5.188 -8.524 1.00 0.00 H new ATOM 0 HE ARG A 90 13.270 -7.875 -8.024 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.738 -5.817 -9.578 1.00 0.00 H new ATOM 0 HH12 ARG A 90 17.035 -6.905 -9.073 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.954 -9.172 -7.468 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.606 -8.740 -7.920 1.00 0.00 H new ATOM 1278 N SER A 91 11.478 -2.254 -10.458 1.00 0.00 N ATOM 1279 CA SER A 91 12.341 -1.078 -10.676 1.00 0.00 C ATOM 1280 C SER A 91 12.284 -0.085 -9.505 1.00 0.00 C ATOM 1281 O SER A 91 13.326 0.294 -8.969 1.00 0.00 O ATOM 1282 CB SER A 91 12.010 -0.400 -12.014 1.00 0.00 C ATOM 1283 OG SER A 91 13.041 0.506 -12.385 1.00 0.00 O ATOM 0 H SER A 91 10.797 -2.409 -11.201 1.00 0.00 H new ATOM 0 HA SER A 91 13.370 -1.435 -10.724 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.886 -1.156 -12.790 1.00 0.00 H new ATOM 0 HB3 SER A 91 11.062 0.132 -11.933 1.00 0.00 H new ATOM 0 HG SER A 91 12.814 0.927 -13.240 1.00 0.00 H new ATOM 1289 N LYS A 92 11.091 0.265 -9.008 1.00 0.00 N ATOM 1290 CA LYS A 92 10.957 1.093 -7.801 1.00 0.00 C ATOM 1291 C LYS A 92 11.576 0.474 -6.528 1.00 0.00 C ATOM 1292 O LYS A 92 12.287 1.180 -5.813 1.00 0.00 O ATOM 1293 CB LYS A 92 9.474 1.480 -7.642 1.00 0.00 C ATOM 1294 CG LYS A 92 9.143 2.829 -8.304 1.00 0.00 C ATOM 1295 CD LYS A 92 9.520 2.975 -9.790 1.00 0.00 C ATOM 1296 CE LYS A 92 9.043 4.297 -10.417 1.00 0.00 C ATOM 1297 NZ LYS A 92 9.525 5.504 -9.690 1.00 0.00 N ATOM 0 H LYS A 92 10.202 -0.013 -9.424 1.00 0.00 H new ATOM 0 HA LYS A 92 11.553 1.996 -7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.850 0.701 -8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.226 1.529 -6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.072 3.004 -8.205 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.648 3.617 -7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.603 2.904 -9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.093 2.142 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.385 4.344 -11.451 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.953 4.307 -10.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.330 6.353 -10.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.033 5.579 -8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.549 5.425 -9.526 1.00 0.00 H new ATOM 1311 N ILE A 93 11.392 -0.825 -6.232 1.00 0.00 N ATOM 1312 CA ILE A 93 12.018 -1.459 -5.033 1.00 0.00 C ATOM 1313 C ILE A 93 13.535 -1.670 -5.192 1.00 0.00 C ATOM 1314 O ILE A 93 14.254 -1.741 -4.197 1.00 0.00 O ATOM 1315 CB ILE A 93 11.276 -2.737 -4.541 1.00 0.00 C ATOM 1316 CG1 ILE A 93 11.579 -4.061 -5.288 1.00 0.00 C ATOM 1317 CG2 ILE A 93 9.755 -2.525 -4.590 1.00 0.00 C ATOM 1318 CD1 ILE A 93 12.906 -4.759 -4.960 1.00 0.00 C ATOM 0 H ILE A 93 10.823 -1.460 -6.793 1.00 0.00 H new ATOM 0 HA ILE A 93 11.896 -0.733 -4.229 1.00 0.00 H new ATOM 0 HB ILE A 93 11.663 -2.864 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.769 -4.760 -5.081 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.559 -3.858 -6.359 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.251 -3.427 -4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.483 -1.687 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.450 -2.310 -5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.993 -5.671 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.736 -4.093 -5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.933 -5.009 -3.899 1.00 0.00 H new ATOM 1330 N GLU A 94 14.028 -1.742 -6.430 1.00 0.00 N ATOM 1331 CA GLU A 94 15.453 -1.832 -6.762 1.00 0.00 C ATOM 1332 C GLU A 94 16.151 -0.464 -6.613 1.00 0.00 C ATOM 1333 O GLU A 94 17.280 -0.387 -6.123 1.00 0.00 O ATOM 1334 CB GLU A 94 15.563 -2.381 -8.193 1.00 0.00 C ATOM 1335 CG GLU A 94 16.985 -2.717 -8.647 1.00 0.00 C ATOM 1336 CD GLU A 94 16.979 -3.237 -10.095 1.00 0.00 C ATOM 1337 OE1 GLU A 94 16.232 -4.199 -10.398 1.00 0.00 O ATOM 1338 OE2 GLU A 94 17.732 -2.693 -10.938 1.00 0.00 O ATOM 0 H GLU A 94 13.429 -1.739 -7.255 1.00 0.00 H new ATOM 0 HA GLU A 94 15.962 -2.503 -6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.951 -3.280 -8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.141 -1.648 -8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.615 -1.830 -8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.416 -3.469 -7.986 1.00 0.00 H new ATOM 1345 N LYS A 95 15.473 0.626 -6.997 1.00 0.00 N ATOM 1346 CA LYS A 95 15.972 2.002 -6.882 1.00 0.00 C ATOM 1347 C LYS A 95 15.944 2.532 -5.433 1.00 0.00 C ATOM 1348 O LYS A 95 16.914 3.138 -4.970 1.00 0.00 O ATOM 1349 CB LYS A 95 15.120 2.882 -7.821 1.00 0.00 C ATOM 1350 CG LYS A 95 15.659 4.309 -8.034 1.00 0.00 C ATOM 1351 CD LYS A 95 17.025 4.388 -8.737 1.00 0.00 C ATOM 1352 CE LYS A 95 17.008 3.704 -10.115 1.00 0.00 C ATOM 1353 NZ LYS A 95 18.310 3.851 -10.822 1.00 0.00 N ATOM 0 H LYS A 95 14.540 0.574 -7.406 1.00 0.00 H new ATOM 0 HA LYS A 95 17.022 2.029 -7.173 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.045 2.388 -8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.109 2.947 -7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 95 14.932 4.872 -8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.737 4.801 -7.064 1.00 0.00 H new ATOM 0 HD2 LYS A 95 17.311 5.433 -8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 95 17.783 3.919 -8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 95 16.779 2.645 -9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.213 4.134 -10.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.259 3.377 -11.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 18.517 4.861 -10.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 19.065 3.418 -10.253 1.00 0.00 H new ATOM 1367 N ASN A 96 14.834 2.316 -4.719 1.00 0.00 N ATOM 1368 CA ASN A 96 14.605 2.802 -3.351 1.00 0.00 C ATOM 1369 C ASN A 96 15.244 1.877 -2.277 1.00 0.00 C ATOM 1370 O ASN A 96 15.514 0.707 -2.567 1.00 0.00 O ATOM 1371 CB ASN A 96 13.080 2.943 -3.139 1.00 0.00 C ATOM 1372 CG ASN A 96 12.415 3.978 -4.055 1.00 0.00 C ATOM 1373 OD1 ASN A 96 13.035 4.917 -4.540 1.00 0.00 O ATOM 1374 ND2 ASN A 96 11.121 3.848 -4.294 1.00 0.00 N ATOM 0 H ASN A 96 14.046 1.783 -5.086 1.00 0.00 H new ATOM 0 HA ASN A 96 15.092 3.770 -3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 96 12.610 1.973 -3.302 1.00 0.00 H new ATOM 0 HB3 ASN A 96 12.892 3.218 -2.101 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.640 4.529 -4.882 1.00 0.00 H new ATOM 0 HD22 ASN A 96 10.604 3.067 -3.891 1.00 0.00 H new ATOM 1381 N PRO A 97 15.442 2.354 -1.025 1.00 0.00 N ATOM 1382 CA PRO A 97 15.810 1.500 0.112 1.00 0.00 C ATOM 1383 C PRO A 97 14.649 0.597 0.575 1.00 0.00 C ATOM 1384 O PRO A 97 14.888 -0.447 1.179 1.00 0.00 O ATOM 1385 CB PRO A 97 16.247 2.469 1.217 1.00 0.00 C ATOM 1386 CG PRO A 97 15.439 3.733 0.924 1.00 0.00 C ATOM 1387 CD PRO A 97 15.376 3.751 -0.602 1.00 0.00 C ATOM 0 HA PRO A 97 16.605 0.806 -0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.027 2.073 2.208 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.319 2.661 1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.445 3.689 1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 97 15.926 4.625 1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.455 4.220 -0.949 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.203 4.325 -1.020 1.00 0.00 H new ATOM 1395 N LYS A 98 13.398 0.969 0.264 1.00 0.00 N ATOM 1396 CA LYS A 98 12.186 0.156 0.459 1.00 0.00 C ATOM 1397 C LYS A 98 12.303 -1.251 -0.180 1.00 0.00 C ATOM 1398 O LYS A 98 12.704 -1.382 -1.336 1.00 0.00 O ATOM 1399 CB LYS A 98 11.006 0.997 -0.085 1.00 0.00 C ATOM 1400 CG LYS A 98 9.646 0.285 -0.195 1.00 0.00 C ATOM 1401 CD LYS A 98 9.355 -0.179 -1.636 1.00 0.00 C ATOM 1402 CE LYS A 98 8.020 -0.938 -1.773 1.00 0.00 C ATOM 1403 NZ LYS A 98 8.110 -2.368 -1.326 1.00 0.00 N ATOM 0 H LYS A 98 13.194 1.880 -0.146 1.00 0.00 H new ATOM 0 HA LYS A 98 12.026 -0.065 1.514 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.883 1.868 0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.278 1.367 -1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.632 -0.576 0.473 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.856 0.959 0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.341 0.690 -2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.167 -0.822 -1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.256 -0.427 -1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.696 -0.908 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.179 -2.685 -0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.410 -2.963 -2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.803 -2.448 -0.555 1.00 0.00 H new ATOM 1417 N GLN A 99 11.883 -2.301 0.540 1.00 0.00 N ATOM 1418 CA GLN A 99 11.963 -3.715 0.123 1.00 0.00 C ATOM 1419 C GLN A 99 10.561 -4.370 0.109 1.00 0.00 C ATOM 1420 O GLN A 99 9.641 -3.809 0.713 1.00 0.00 O ATOM 1421 CB GLN A 99 12.953 -4.459 1.051 1.00 0.00 C ATOM 1422 CG GLN A 99 12.527 -4.560 2.528 1.00 0.00 C ATOM 1423 CD GLN A 99 13.557 -5.329 3.362 1.00 0.00 C ATOM 1424 OE1 GLN A 99 13.383 -6.494 3.701 1.00 0.00 O ATOM 1425 NE2 GLN A 99 14.676 -4.724 3.712 1.00 0.00 N ATOM 0 H GLN A 99 11.463 -2.189 1.463 1.00 0.00 H new ATOM 0 HA GLN A 99 12.338 -3.778 -0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.100 -5.467 0.663 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.918 -3.955 1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.400 -3.559 2.940 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.560 -5.058 2.595 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.839 -3.755 3.439 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.378 -5.226 4.255 1.00 0.00 H new ATOM 1434 N PRO A 100 10.351 -5.507 -0.587 1.00 0.00 N ATOM 1435 CA PRO A 100 9.095 -6.262 -0.544 1.00 0.00 C ATOM 1436 C PRO A 100 9.062 -7.243 0.636 1.00 0.00 C ATOM 1437 O PRO A 100 10.098 -7.698 1.120 1.00 0.00 O ATOM 1438 CB PRO A 100 9.042 -7.005 -1.884 1.00 0.00 C ATOM 1439 CG PRO A 100 10.513 -7.309 -2.163 1.00 0.00 C ATOM 1440 CD PRO A 100 11.242 -6.093 -1.586 1.00 0.00 C ATOM 0 HA PRO A 100 8.235 -5.608 -0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 100 8.447 -7.916 -1.818 1.00 0.00 H new ATOM 0 HB3 PRO A 100 8.600 -6.391 -2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.831 -8.234 -1.681 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.704 -7.423 -3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.190 -6.387 -1.135 1.00 0.00 H new ATOM 0 HD3 PRO A 100 11.473 -5.372 -2.370 1.00 0.00 H new ATOM 1448 N GLN A 101 7.838 -7.606 1.040 1.00 0.00 N ATOM 1449 CA GLN A 101 7.537 -8.691 1.985 1.00 0.00 C ATOM 1450 C GLN A 101 6.042 -9.055 1.978 1.00 0.00 C ATOM 1451 O GLN A 101 5.719 -10.240 2.033 1.00 0.00 O ATOM 1452 CB GLN A 101 8.061 -8.392 3.407 1.00 0.00 C ATOM 1453 CG GLN A 101 7.577 -7.072 4.024 1.00 0.00 C ATOM 1454 CD GLN A 101 8.150 -6.863 5.429 1.00 0.00 C ATOM 1455 OE1 GLN A 101 9.112 -6.132 5.637 1.00 0.00 O ATOM 1456 NE2 GLN A 101 7.602 -7.502 6.444 1.00 0.00 N ATOM 0 H GLN A 101 6.998 -7.135 0.705 1.00 0.00 H new ATOM 0 HA GLN A 101 8.079 -9.571 1.639 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.766 -9.210 4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 101 9.151 -8.382 3.380 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.871 -6.241 3.383 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.488 -7.069 4.070 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.801 -8.114 6.289 1.00 0.00 H new ATOM 0 HE22 GLN A 101 7.979 -7.384 7.384 1.00 0.00 H new ATOM 1465 N TYR A 102 5.124 -8.077 1.836 1.00 0.00 N ATOM 1466 CA TYR A 102 3.674 -8.362 1.740 1.00 0.00 C ATOM 1467 C TYR A 102 3.137 -8.500 0.304 1.00 0.00 C ATOM 1468 O TYR A 102 1.923 -8.571 0.106 1.00 0.00 O ATOM 1469 CB TYR A 102 2.897 -7.323 2.568 1.00 0.00 C ATOM 1470 CG TYR A 102 3.257 -7.314 4.043 1.00 0.00 C ATOM 1471 CD1 TYR A 102 2.820 -8.358 4.881 1.00 0.00 C ATOM 1472 CD2 TYR A 102 4.040 -6.271 4.578 1.00 0.00 C ATOM 1473 CE1 TYR A 102 3.162 -8.365 6.247 1.00 0.00 C ATOM 1474 CE2 TYR A 102 4.391 -6.275 5.942 1.00 0.00 C ATOM 1475 CZ TYR A 102 3.949 -7.320 6.783 1.00 0.00 C ATOM 1476 OH TYR A 102 4.294 -7.321 8.102 1.00 0.00 O ATOM 0 H TYR A 102 5.358 -7.086 1.785 1.00 0.00 H new ATOM 0 HA TYR A 102 3.514 -9.355 2.161 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.081 -6.332 2.154 1.00 0.00 H new ATOM 0 HB3 TYR A 102 1.829 -7.517 2.466 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.219 -9.158 4.474 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.372 -5.466 3.939 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.823 -9.168 6.885 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.999 -5.478 6.345 1.00 0.00 H new ATOM 0 HH TYR A 102 4.837 -6.529 8.299 1.00 0.00 H new ATOM 1486 N ILE A 103 4.021 -8.564 -0.701 1.00 0.00 N ATOM 1487 CA ILE A 103 3.686 -8.934 -2.088 1.00 0.00 C ATOM 1488 C ILE A 103 4.446 -10.206 -2.521 1.00 0.00 C ATOM 1489 O ILE A 103 5.653 -10.319 -2.311 1.00 0.00 O ATOM 1490 CB ILE A 103 3.922 -7.740 -3.050 1.00 0.00 C ATOM 1491 CG1 ILE A 103 3.294 -8.044 -4.432 1.00 0.00 C ATOM 1492 CG2 ILE A 103 5.403 -7.327 -3.173 1.00 0.00 C ATOM 1493 CD1 ILE A 103 3.271 -6.849 -5.394 1.00 0.00 C ATOM 0 H ILE A 103 5.011 -8.356 -0.572 1.00 0.00 H new ATOM 0 HA ILE A 103 2.624 -9.174 -2.137 1.00 0.00 H new ATOM 0 HB ILE A 103 3.423 -6.875 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.848 -8.859 -4.898 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.273 -8.396 -4.284 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.490 -6.487 -3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 103 5.782 -7.034 -2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.985 -8.168 -3.551 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.815 -7.150 -6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.691 -6.038 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.290 -6.509 -5.576 1.00 0.00 H new ATOM 1505 N ILE A 104 3.732 -11.155 -3.131 1.00 0.00 N ATOM 1506 CA ILE A 104 4.260 -12.404 -3.734 1.00 0.00 C ATOM 1507 C ILE A 104 3.763 -12.552 -5.189 1.00 0.00 C ATOM 1508 O ILE A 104 2.639 -12.174 -5.506 1.00 0.00 O ATOM 1509 CB ILE A 104 3.842 -13.617 -2.857 1.00 0.00 C ATOM 1510 CG1 ILE A 104 4.380 -13.550 -1.406 1.00 0.00 C ATOM 1511 CG2 ILE A 104 4.221 -14.970 -3.490 1.00 0.00 C ATOM 1512 CD1 ILE A 104 5.904 -13.666 -1.250 1.00 0.00 C ATOM 0 H ILE A 104 2.719 -11.080 -3.228 1.00 0.00 H new ATOM 0 HA ILE A 104 5.349 -12.364 -3.767 1.00 0.00 H new ATOM 0 HB ILE A 104 2.755 -13.549 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.060 -12.607 -0.963 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.913 -14.348 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.905 -15.780 -2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.726 -15.071 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 104 5.301 -15.017 -3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.167 -13.606 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 104 6.239 -14.621 -1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.388 -12.853 -1.791 1.00 0.00 H new ATOM 1524 N SER A 105 4.560 -13.123 -6.091 1.00 0.00 N ATOM 1525 CA SER A 105 4.191 -13.351 -7.497 1.00 0.00 C ATOM 1526 C SER A 105 3.562 -14.744 -7.693 1.00 0.00 C ATOM 1527 O SER A 105 4.121 -15.748 -7.247 1.00 0.00 O ATOM 1528 CB SER A 105 5.429 -13.211 -8.401 1.00 0.00 C ATOM 1529 OG SER A 105 5.997 -11.911 -8.290 1.00 0.00 O ATOM 0 H SER A 105 5.500 -13.448 -5.865 1.00 0.00 H new ATOM 0 HA SER A 105 3.452 -12.599 -7.773 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.171 -13.961 -8.126 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.151 -13.403 -9.437 1.00 0.00 H new ATOM 0 HG SER A 105 5.480 -11.280 -8.833 1.00 0.00 H new ATOM 1535 N VAL A 106 2.419 -14.816 -8.390 1.00 0.00 N ATOM 1536 CA VAL A 106 1.671 -16.061 -8.674 1.00 0.00 C ATOM 1537 C VAL A 106 1.698 -16.347 -10.180 1.00 0.00 C ATOM 1538 O VAL A 106 0.978 -15.722 -10.964 1.00 0.00 O ATOM 1539 CB VAL A 106 0.215 -16.012 -8.138 1.00 0.00 C ATOM 1540 CG1 VAL A 106 -0.479 -17.375 -8.306 1.00 0.00 C ATOM 1541 CG2 VAL A 106 0.166 -15.609 -6.653 1.00 0.00 C ATOM 0 H VAL A 106 1.972 -13.989 -8.786 1.00 0.00 H new ATOM 0 HA VAL A 106 2.164 -16.877 -8.145 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.309 -15.258 -8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.498 -17.314 -7.923 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.504 -17.643 -9.362 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.072 -18.135 -7.752 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.870 -15.586 -6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.724 -16.334 -6.061 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.609 -14.621 -6.529 1.00 0.00 H new ATOM 1601 N GLY A 110 -0.940 -13.514 -11.820 1.00 0.00 N ATOM 1602 CA GLY A 110 -1.491 -12.725 -10.713 1.00 0.00 C ATOM 1603 C GLY A 110 -0.431 -12.420 -9.661 1.00 0.00 C ATOM 1604 O GLY A 110 0.620 -13.064 -9.618 1.00 0.00 O ATOM 0 HA2 GLY A 110 -1.901 -11.792 -11.099 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.316 -13.269 -10.253 1.00 0.00 H new ATOM 1608 N TYR A 111 -0.693 -11.449 -8.785 1.00 0.00 N ATOM 1609 CA TYR A 111 0.264 -11.074 -7.729 1.00 0.00 C ATOM 1610 C TYR A 111 -0.421 -10.915 -6.370 1.00 0.00 C ATOM 1611 O TYR A 111 -1.248 -10.038 -6.149 1.00 0.00 O ATOM 1612 CB TYR A 111 1.052 -9.831 -8.153 1.00 0.00 C ATOM 1613 CG TYR A 111 1.711 -9.985 -9.517 1.00 0.00 C ATOM 1614 CD1 TYR A 111 0.962 -9.801 -10.699 1.00 0.00 C ATOM 1615 CD2 TYR A 111 3.042 -10.434 -9.605 1.00 0.00 C ATOM 1616 CE1 TYR A 111 1.520 -10.109 -11.953 1.00 0.00 C ATOM 1617 CE2 TYR A 111 3.613 -10.733 -10.858 1.00 0.00 C ATOM 1618 CZ TYR A 111 2.852 -10.571 -12.038 1.00 0.00 C ATOM 1619 OH TYR A 111 3.400 -10.842 -13.257 1.00 0.00 O ATOM 0 H TYR A 111 -1.556 -10.906 -8.781 1.00 0.00 H new ATOM 0 HA TYR A 111 0.980 -11.886 -7.600 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.382 -8.972 -8.174 1.00 0.00 H new ATOM 0 HB3 TYR A 111 1.818 -9.620 -7.407 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -0.047 -9.421 -10.640 1.00 0.00 H new ATOM 0 HD2 TYR A 111 3.630 -10.550 -8.706 1.00 0.00 H new ATOM 0 HE1 TYR A 111 0.930 -9.992 -12.850 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.632 -11.086 -10.917 1.00 0.00 H new ATOM 0 HH TYR A 111 4.323 -11.149 -13.140 1.00 0.00 H new ATOM 1629 N LYS A 112 -0.094 -11.803 -5.445 1.00 0.00 N ATOM 1630 CA LYS A 112 -0.729 -11.900 -4.131 1.00 0.00 C ATOM 1631 C LYS A 112 -0.272 -10.750 -3.225 1.00 0.00 C ATOM 1632 O LYS A 112 0.924 -10.545 -3.020 1.00 0.00 O ATOM 1633 CB LYS A 112 -0.472 -13.304 -3.553 1.00 0.00 C ATOM 1634 CG LYS A 112 -1.249 -13.646 -2.266 1.00 0.00 C ATOM 1635 CD LYS A 112 -0.536 -13.231 -0.965 1.00 0.00 C ATOM 1636 CE LYS A 112 -1.355 -13.581 0.290 1.00 0.00 C ATOM 1637 NZ LYS A 112 -1.415 -15.048 0.558 1.00 0.00 N ATOM 0 H LYS A 112 0.640 -12.497 -5.587 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.810 -11.785 -4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.723 -14.042 -4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.594 -13.404 -3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -2.223 -13.159 -2.304 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.431 -14.720 -2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.434 -13.725 -0.912 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -0.346 -12.158 -0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.920 -13.077 1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -2.368 -13.197 0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -1.979 -15.222 1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.856 -15.531 -0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.452 -15.415 0.698 1.00 0.00 H new ATOM 1651 N LEU A 113 -1.236 -10.035 -2.656 1.00 0.00 N ATOM 1652 CA LEU A 113 -1.072 -8.951 -1.680 1.00 0.00 C ATOM 1653 C LEU A 113 -1.922 -9.314 -0.447 1.00 0.00 C ATOM 1654 O LEU A 113 -2.831 -10.135 -0.549 1.00 0.00 O ATOM 1655 CB LEU A 113 -1.517 -7.634 -2.374 1.00 0.00 C ATOM 1656 CG LEU A 113 -0.820 -6.303 -2.014 1.00 0.00 C ATOM 1657 CD1 LEU A 113 -0.935 -5.903 -0.539 1.00 0.00 C ATOM 1658 CD2 LEU A 113 0.645 -6.305 -2.451 1.00 0.00 C ATOM 0 H LEU A 113 -2.218 -10.204 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.044 -8.814 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.406 -7.779 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.582 -7.507 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.365 -5.543 -2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.418 -4.957 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.986 -5.792 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.483 -6.675 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.106 -5.354 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.173 -7.118 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.702 -6.444 -3.531 1.00 0.00 H new ATOM 1670 N GLU A 114 -1.670 -8.718 0.718 1.00 0.00 N ATOM 1671 CA GLU A 114 -2.472 -8.969 1.924 1.00 0.00 C ATOM 1672 C GLU A 114 -2.645 -7.745 2.840 1.00 0.00 C ATOM 1673 O GLU A 114 -1.852 -6.798 2.811 1.00 0.00 O ATOM 1674 CB GLU A 114 -1.898 -10.176 2.688 1.00 0.00 C ATOM 1675 CG GLU A 114 -0.452 -10.000 3.172 1.00 0.00 C ATOM 1676 CD GLU A 114 0.040 -11.283 3.859 1.00 0.00 C ATOM 1677 OE1 GLU A 114 0.553 -12.188 3.159 1.00 0.00 O ATOM 1678 OE2 GLU A 114 -0.087 -11.400 5.101 1.00 0.00 O ATOM 0 H GLU A 114 -0.910 -8.051 0.856 1.00 0.00 H new ATOM 0 HA GLU A 114 -3.482 -9.197 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.533 -10.378 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -1.947 -11.053 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.195 -9.760 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.393 -9.162 3.866 1.00 0.00 H new ATOM 1685 N TYR A 115 -3.724 -7.787 3.635 1.00 0.00 N ATOM 1686 CA TYR A 115 -4.155 -6.765 4.599 1.00 0.00 C ATOM 1687 C TYR A 115 -3.315 -6.794 5.895 1.00 0.00 C ATOM 1688 O TYR A 115 -2.797 -5.729 6.303 1.00 0.00 O ATOM 1689 CB TYR A 115 -5.652 -6.989 4.878 1.00 0.00 C ATOM 1690 CG TYR A 115 -6.329 -5.949 5.755 1.00 0.00 C ATOM 1691 CD1 TYR A 115 -6.269 -6.061 7.158 1.00 0.00 C ATOM 1692 CD2 TYR A 115 -7.069 -4.903 5.166 1.00 0.00 C ATOM 1693 CE1 TYR A 115 -6.941 -5.128 7.973 1.00 0.00 C ATOM 1694 CE2 TYR A 115 -7.755 -3.976 5.977 1.00 0.00 C ATOM 1695 CZ TYR A 115 -7.689 -4.084 7.384 1.00 0.00 C ATOM 1696 OH TYR A 115 -8.348 -3.197 8.182 1.00 0.00 O ATOM 1697 OXT TYR A 115 -3.174 -7.881 6.508 1.00 0.00 O ATOM 0 H TYR A 115 -4.358 -8.586 3.621 1.00 0.00 H new ATOM 0 HA TYR A 115 -3.998 -5.772 4.178 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.177 -7.028 3.924 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -5.772 -7.965 5.348 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -5.706 -6.864 7.610 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.110 -4.812 4.091 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -6.884 -5.211 9.048 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.331 -3.183 5.523 1.00 0.00 H new ATOM 0 HH TYR A 115 -8.814 -2.539 7.625 1.00 0.00 H new