USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 780 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 17 TYR OH : rot 30:sc= 1.13 USER MOD Set 1.2: A 72 LYS NZ :NH3+ -153:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 38 SER OG : rot -168:sc= 0.439 USER MOD Set 2.2: A 41 LYS NZ :NH3+ -162:sc= 1.33 (180deg=0.714) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0357 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 77:sc= 0.508 USER MOD Single : A 22 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 27 HIS : no HD1:sc=-0.000247 X(o=-0.00025,f=-0.13) USER MOD Single : A 30 LYS NZ :NH3+ 143:sc= -0.395 (180deg=-1.97!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.102 USER MOD Single : A 47 ASN : amide:sc= 0.776 K(o=0.78,f=-1.8) USER MOD Single : A 49 TYR OH : rot -98:sc= -1.66! USER MOD Single : A 51 LYS NZ :NH3+ 167:sc=-0.00324 (180deg=-0.143) USER MOD Single : A 55 SER OG : rot 94:sc= 1.2 USER MOD Single : A 59 SER OG : rot 69:sc= 0.839 USER MOD Single : A 65 ASN : amide:sc= 1.08 K(o=1.1,f=-0.34) USER MOD Single : A 66 LYS NZ :NH3+ -154:sc= 1.24 (180deg=1.09) USER MOD Single : A 67 LYS NZ :NH3+ -119:sc= -7.41! (180deg=-11.8!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00631 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.0507 X(o=-0.051,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 1.22 K(o=1.2,f=-0.00038) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 TYR OH : rot -40:sc= 1.27 USER MOD Single : B 396 LYS NZ :NH3+ -173:sc= -0.613 (180deg=-0.807) USER MOD ----------------------------------------------------------------- ATOM 139 N PHE A 14 -5.247 11.599 -10.355 1.00 0.00 N ATOM 140 CA PHE A 14 -4.382 10.969 -9.370 1.00 0.00 C ATOM 141 C PHE A 14 -4.991 11.051 -7.978 1.00 0.00 C ATOM 142 O PHE A 14 -4.275 11.073 -6.978 1.00 0.00 O ATOM 143 CB PHE A 14 -3.001 11.631 -9.386 1.00 0.00 C ATOM 144 CG PHE A 14 -2.363 11.645 -10.746 1.00 0.00 C ATOM 145 CD1 PHE A 14 -1.795 10.496 -11.269 1.00 0.00 C ATOM 146 CD2 PHE A 14 -2.341 12.805 -11.505 1.00 0.00 C ATOM 147 CE1 PHE A 14 -1.219 10.502 -12.524 1.00 0.00 C ATOM 148 CE2 PHE A 14 -1.765 12.816 -12.761 1.00 0.00 C ATOM 149 CZ PHE A 14 -1.204 11.663 -13.271 1.00 0.00 C ATOM 0 HA PHE A 14 -4.275 9.916 -9.630 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.093 12.655 -9.025 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.346 11.106 -8.691 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.802 9.585 -10.689 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.779 13.710 -11.110 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.780 9.599 -12.921 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.754 13.726 -13.343 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.754 11.669 -14.253 1.00 0.00 H new ATOM 159 N SER A 15 -6.316 11.075 -7.921 1.00 0.00 N ATOM 160 CA SER A 15 -7.025 11.144 -6.654 1.00 0.00 C ATOM 161 C SER A 15 -6.710 9.923 -5.795 1.00 0.00 C ATOM 162 O SER A 15 -6.530 10.030 -4.581 1.00 0.00 O ATOM 163 CB SER A 15 -8.528 11.240 -6.908 1.00 0.00 C ATOM 164 OG SER A 15 -8.917 10.378 -7.966 1.00 0.00 O ATOM 0 H SER A 15 -6.922 11.048 -8.741 1.00 0.00 H new ATOM 0 HA SER A 15 -6.697 12.033 -6.116 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.072 10.978 -6.001 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.795 12.268 -7.154 1.00 0.00 H new ATOM 0 HG SER A 15 -9.883 10.454 -8.111 1.00 0.00 H new ATOM 170 N GLU A 16 -6.635 8.761 -6.433 1.00 0.00 N ATOM 171 CA GLU A 16 -6.325 7.528 -5.727 1.00 0.00 C ATOM 172 C GLU A 16 -4.868 7.538 -5.295 1.00 0.00 C ATOM 173 O GLU A 16 -4.536 7.145 -4.181 1.00 0.00 O ATOM 174 CB GLU A 16 -6.603 6.312 -6.610 1.00 0.00 C ATOM 175 CG GLU A 16 -8.073 6.123 -6.934 1.00 0.00 C ATOM 176 CD GLU A 16 -8.928 6.032 -5.689 1.00 0.00 C ATOM 177 OE1 GLU A 16 -8.775 5.058 -4.926 1.00 0.00 O ATOM 178 OE2 GLU A 16 -9.767 6.935 -5.474 1.00 0.00 O ATOM 0 H GLU A 16 -6.785 8.649 -7.436 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.963 7.461 -4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.044 6.413 -7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.231 5.417 -6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.417 6.955 -7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.199 5.216 -7.526 1.00 0.00 H new ATOM 185 N TYR A 17 -4.010 8.024 -6.178 1.00 0.00 N ATOM 186 CA TYR A 17 -2.584 8.097 -5.903 1.00 0.00 C ATOM 187 C TYR A 17 -2.317 8.974 -4.685 1.00 0.00 C ATOM 188 O TYR A 17 -1.605 8.568 -3.772 1.00 0.00 O ATOM 189 CB TYR A 17 -1.831 8.633 -7.121 1.00 0.00 C ATOM 190 CG TYR A 17 -1.823 7.679 -8.295 1.00 0.00 C ATOM 191 CD1 TYR A 17 -2.902 7.610 -9.169 1.00 0.00 C ATOM 192 CD2 TYR A 17 -0.737 6.845 -8.529 1.00 0.00 C ATOM 193 CE1 TYR A 17 -2.896 6.739 -10.240 1.00 0.00 C ATOM 194 CE2 TYR A 17 -0.725 5.972 -9.599 1.00 0.00 C ATOM 195 CZ TYR A 17 -1.807 5.924 -10.451 1.00 0.00 C ATOM 196 OH TYR A 17 -1.799 5.059 -11.522 1.00 0.00 O ATOM 0 H TYR A 17 -4.279 8.376 -7.097 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.224 7.091 -5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.283 9.575 -7.432 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.802 8.852 -6.835 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.758 8.248 -9.008 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.112 6.880 -7.863 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.742 6.697 -10.910 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.127 5.331 -9.767 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.330 5.438 -12.253 1.00 0.00 H new ATOM 206 N SER A 18 -2.918 10.158 -4.660 1.00 0.00 N ATOM 207 CA SER A 18 -2.738 11.082 -3.548 1.00 0.00 C ATOM 208 C SER A 18 -3.208 10.450 -2.236 1.00 0.00 C ATOM 209 O SER A 18 -2.618 10.683 -1.180 1.00 0.00 O ATOM 210 CB SER A 18 -3.501 12.386 -3.808 1.00 0.00 C ATOM 211 OG SER A 18 -3.026 13.432 -2.972 1.00 0.00 O ATOM 0 H SER A 18 -3.534 10.500 -5.397 1.00 0.00 H new ATOM 0 HA SER A 18 -1.675 11.307 -3.462 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.390 12.673 -4.854 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.565 12.230 -3.631 1.00 0.00 H new ATOM 0 HG SER A 18 -3.528 14.253 -3.158 1.00 0.00 H new ATOM 217 N ARG A 19 -4.256 9.638 -2.320 1.00 0.00 N ATOM 218 CA ARG A 19 -4.816 8.968 -1.150 1.00 0.00 C ATOM 219 C ARG A 19 -3.872 7.881 -0.633 1.00 0.00 C ATOM 220 O ARG A 19 -3.711 7.705 0.575 1.00 0.00 O ATOM 221 CB ARG A 19 -6.186 8.373 -1.507 1.00 0.00 C ATOM 222 CG ARG A 19 -6.813 7.526 -0.409 1.00 0.00 C ATOM 223 CD ARG A 19 -7.246 8.364 0.786 1.00 0.00 C ATOM 224 NE ARG A 19 -8.100 7.603 1.699 1.00 0.00 N ATOM 225 CZ ARG A 19 -7.924 7.543 3.018 1.00 0.00 C ATOM 226 NH1 ARG A 19 -6.931 8.216 3.591 1.00 0.00 N ATOM 227 NH2 ARG A 19 -8.756 6.827 3.766 1.00 0.00 N ATOM 0 H ARG A 19 -4.739 9.426 -3.193 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.940 9.700 -0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.868 9.187 -1.754 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.080 7.762 -2.404 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.676 6.995 -0.810 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.098 6.771 -0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.365 8.717 1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.782 9.247 0.437 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.882 7.084 1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.301 8.780 3.020 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.799 8.168 4.601 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.529 6.324 3.330 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.622 6.780 4.776 1.00 0.00 H new ATOM 241 N ILE A 20 -3.242 7.161 -1.549 1.00 0.00 N ATOM 242 CA ILE A 20 -2.320 6.092 -1.181 1.00 0.00 C ATOM 243 C ILE A 20 -0.981 6.669 -0.724 1.00 0.00 C ATOM 244 O ILE A 20 -0.470 6.302 0.332 1.00 0.00 O ATOM 245 CB ILE A 20 -2.104 5.095 -2.350 1.00 0.00 C ATOM 246 CG1 ILE A 20 -3.168 3.994 -2.327 1.00 0.00 C ATOM 247 CG2 ILE A 20 -0.718 4.470 -2.295 1.00 0.00 C ATOM 248 CD1 ILE A 20 -4.565 4.467 -2.670 1.00 0.00 C ATOM 0 H ILE A 20 -3.351 7.296 -2.554 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.769 5.544 -0.353 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.193 5.658 -3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.880 3.212 -3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.184 3.542 -1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.598 3.776 -3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.037 5.253 -2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.599 3.932 -1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.255 3.624 -2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.878 5.226 -1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.569 4.892 -3.674 1.00 0.00 H new ATOM 260 N SER A 21 -0.424 7.579 -1.517 1.00 0.00 N ATOM 261 CA SER A 21 0.849 8.211 -1.185 1.00 0.00 C ATOM 262 C SER A 21 0.765 8.919 0.168 1.00 0.00 C ATOM 263 O SER A 21 1.757 9.012 0.896 1.00 0.00 O ATOM 264 CB SER A 21 1.254 9.195 -2.280 1.00 0.00 C ATOM 265 OG SER A 21 1.308 8.552 -3.541 1.00 0.00 O ATOM 0 H SER A 21 -0.835 7.896 -2.395 1.00 0.00 H new ATOM 0 HA SER A 21 1.611 7.435 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.541 10.018 -2.317 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.227 9.627 -2.045 1.00 0.00 H new ATOM 0 HG SER A 21 0.398 8.420 -3.880 1.00 0.00 H new ATOM 271 N ASN A 22 -0.430 9.406 0.503 1.00 0.00 N ATOM 272 CA ASN A 22 -0.658 10.089 1.772 1.00 0.00 C ATOM 273 C ASN A 22 -0.441 9.126 2.933 1.00 0.00 C ATOM 274 O ASN A 22 0.029 9.517 3.996 1.00 0.00 O ATOM 275 CB ASN A 22 -2.075 10.666 1.831 1.00 0.00 C ATOM 276 CG ASN A 22 -2.097 12.096 2.337 1.00 0.00 C ATOM 277 OD1 ASN A 22 -2.299 12.265 3.631 1.00 0.00 O flip ATOM 278 ND2 ASN A 22 -1.939 13.042 1.565 1.00 0.00 N flip ATOM 0 H ASN A 22 -1.257 9.339 -0.091 1.00 0.00 H new ATOM 0 HA ASN A 22 0.054 10.911 1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.521 10.628 0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.691 10.044 2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.785 12.869 0.572 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.962 13.998 1.919 1.00 0.00 H new ATOM 285 N LEU A 23 -0.774 7.859 2.711 1.00 0.00 N ATOM 286 CA LEU A 23 -0.602 6.829 3.728 1.00 0.00 C ATOM 287 C LEU A 23 0.880 6.615 4.011 1.00 0.00 C ATOM 288 O LEU A 23 1.281 6.402 5.155 1.00 0.00 O ATOM 289 CB LEU A 23 -1.237 5.506 3.268 1.00 0.00 C ATOM 290 CG LEU A 23 -0.388 4.249 3.523 1.00 0.00 C ATOM 291 CD1 LEU A 23 -1.237 3.102 4.019 1.00 0.00 C ATOM 292 CD2 LEU A 23 0.362 3.840 2.265 1.00 0.00 C ATOM 0 H LEU A 23 -1.166 7.520 1.832 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.099 7.160 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.195 5.386 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.446 5.574 2.200 1.00 0.00 H new ATOM 0 HG LEU A 23 0.337 4.495 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.606 2.229 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.723 3.386 4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.995 2.862 3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.956 2.949 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.352 3.626 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.020 4.651 1.954 1.00 0.00 H new ATOM 304 N ILE A 24 1.682 6.684 2.954 1.00 0.00 N ATOM 305 CA ILE A 24 3.119 6.479 3.051 1.00 0.00 C ATOM 306 C ILE A 24 3.760 7.489 3.992 1.00 0.00 C ATOM 307 O ILE A 24 4.457 7.109 4.935 1.00 0.00 O ATOM 308 CB ILE A 24 3.777 6.547 1.650 1.00 0.00 C ATOM 309 CG1 ILE A 24 3.703 5.175 0.979 1.00 0.00 C ATOM 310 CG2 ILE A 24 5.226 7.019 1.727 1.00 0.00 C ATOM 311 CD1 ILE A 24 4.373 4.081 1.780 1.00 0.00 C ATOM 0 H ILE A 24 1.353 6.883 2.009 1.00 0.00 H new ATOM 0 HA ILE A 24 3.285 5.484 3.464 1.00 0.00 H new ATOM 0 HB ILE A 24 3.227 7.276 1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.657 4.911 0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.169 5.233 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.651 7.053 0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.261 8.014 2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.802 6.327 2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.284 3.134 1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.427 4.323 1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.891 3.996 2.754 1.00 0.00 H new ATOM 323 N VAL A 25 3.490 8.766 3.762 1.00 0.00 N ATOM 324 CA VAL A 25 4.065 9.813 4.590 1.00 0.00 C ATOM 325 C VAL A 25 3.480 9.787 5.997 1.00 0.00 C ATOM 326 O VAL A 25 4.216 9.876 6.975 1.00 0.00 O ATOM 327 CB VAL A 25 3.892 11.218 3.964 1.00 0.00 C ATOM 328 CG1 VAL A 25 4.807 11.372 2.761 1.00 0.00 C ATOM 329 CG2 VAL A 25 2.447 11.478 3.564 1.00 0.00 C ATOM 0 H VAL A 25 2.881 9.099 3.015 1.00 0.00 H new ATOM 0 HA VAL A 25 5.134 9.609 4.651 1.00 0.00 H new ATOM 0 HB VAL A 25 4.165 11.955 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.676 12.364 2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.844 11.246 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.558 10.616 2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.364 12.474 3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.133 10.734 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.808 11.413 4.445 1.00 0.00 H new ATOM 339 N LEU A 26 2.166 9.618 6.097 1.00 0.00 N ATOM 340 CA LEU A 26 1.490 9.584 7.390 1.00 0.00 C ATOM 341 C LEU A 26 1.995 8.443 8.261 1.00 0.00 C ATOM 342 O LEU A 26 2.361 8.652 9.417 1.00 0.00 O ATOM 343 CB LEU A 26 -0.017 9.452 7.205 1.00 0.00 C ATOM 344 CG LEU A 26 -0.734 10.747 6.840 1.00 0.00 C ATOM 345 CD1 LEU A 26 -2.149 10.447 6.373 1.00 0.00 C ATOM 346 CD2 LEU A 26 -0.756 11.697 8.028 1.00 0.00 C ATOM 0 H LEU A 26 1.546 9.502 5.296 1.00 0.00 H new ATOM 0 HA LEU A 26 1.714 10.525 7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.210 8.715 6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.449 9.062 8.127 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.192 11.229 6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.652 11.379 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.113 9.799 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.698 9.948 7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.272 12.616 7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.278 11.226 8.861 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.266 11.930 8.326 1.00 0.00 H new ATOM 358 N HIS A 27 2.019 7.238 7.703 1.00 0.00 N ATOM 359 CA HIS A 27 2.472 6.072 8.450 1.00 0.00 C ATOM 360 C HIS A 27 3.928 6.226 8.862 1.00 0.00 C ATOM 361 O HIS A 27 4.277 5.947 10.004 1.00 0.00 O ATOM 362 CB HIS A 27 2.290 4.788 7.637 1.00 0.00 C ATOM 363 CG HIS A 27 2.383 3.535 8.458 1.00 0.00 C ATOM 364 ND1 HIS A 27 1.614 3.310 9.579 1.00 0.00 N ATOM 365 CD2 HIS A 27 3.155 2.435 8.311 1.00 0.00 C ATOM 366 CE1 HIS A 27 1.909 2.129 10.085 1.00 0.00 C ATOM 367 NE2 HIS A 27 2.841 1.575 9.334 1.00 0.00 N ATOM 0 H HIS A 27 1.732 7.044 6.743 1.00 0.00 H new ATOM 0 HA HIS A 27 1.859 5.999 9.348 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.319 4.816 7.142 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.046 4.755 6.853 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.884 2.264 7.533 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.463 1.690 10.965 1.00 0.00 H new ATOM 0 HE2 HIS A 27 3.260 0.658 9.488 1.00 0.00 H new ATOM 376 N LEU A 28 4.774 6.669 7.935 1.00 0.00 N ATOM 377 CA LEU A 28 6.191 6.862 8.230 1.00 0.00 C ATOM 378 C LEU A 28 6.368 7.868 9.369 1.00 0.00 C ATOM 379 O LEU A 28 7.143 7.628 10.291 1.00 0.00 O ATOM 380 CB LEU A 28 6.946 7.316 6.968 1.00 0.00 C ATOM 381 CG LEU A 28 8.482 7.364 7.062 1.00 0.00 C ATOM 382 CD1 LEU A 28 8.953 8.698 7.621 1.00 0.00 C ATOM 383 CD2 LEU A 28 9.015 6.211 7.902 1.00 0.00 C ATOM 0 H LEU A 28 4.505 6.900 6.979 1.00 0.00 H new ATOM 0 HA LEU A 28 6.614 5.910 8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.676 6.647 6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.590 8.310 6.698 1.00 0.00 H new ATOM 0 HG LEU A 28 8.880 7.260 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.042 8.705 7.677 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.618 9.505 6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.538 8.842 8.618 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.102 6.269 7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.602 6.273 8.909 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.723 5.264 7.448 1.00 0.00 H new ATOM 395 N ARG A 29 5.623 8.972 9.312 1.00 0.00 N ATOM 396 CA ARG A 29 5.692 10.011 10.343 1.00 0.00 C ATOM 397 C ARG A 29 5.420 9.429 11.729 1.00 0.00 C ATOM 398 O ARG A 29 6.092 9.768 12.707 1.00 0.00 O ATOM 399 CB ARG A 29 4.679 11.121 10.055 1.00 0.00 C ATOM 400 CG ARG A 29 5.047 12.011 8.880 1.00 0.00 C ATOM 401 CD ARG A 29 3.833 12.763 8.357 1.00 0.00 C ATOM 402 NE ARG A 29 4.138 13.557 7.169 1.00 0.00 N ATOM 403 CZ ARG A 29 3.453 14.645 6.813 1.00 0.00 C ATOM 404 NH1 ARG A 29 2.496 15.114 7.603 1.00 0.00 N ATOM 405 NH2 ARG A 29 3.747 15.279 5.683 1.00 0.00 N ATOM 0 H ARG A 29 4.962 9.171 8.561 1.00 0.00 H new ATOM 0 HA ARG A 29 6.700 10.425 10.325 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.706 10.669 9.863 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.572 11.740 10.946 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.814 12.722 9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.474 11.405 8.081 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.042 12.051 8.121 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.450 13.418 9.140 1.00 0.00 H new ATOM 0 HE ARG A 29 4.917 13.263 6.580 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.284 14.643 8.482 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.972 15.946 7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.498 14.934 5.085 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.222 16.111 5.413 1.00 0.00 H new ATOM 419 N LYS A 30 4.428 8.554 11.805 1.00 0.00 N ATOM 420 CA LYS A 30 4.060 7.921 13.063 1.00 0.00 C ATOM 421 C LYS A 30 5.113 6.898 13.483 1.00 0.00 C ATOM 422 O LYS A 30 5.521 6.846 14.644 1.00 0.00 O ATOM 423 CB LYS A 30 2.696 7.236 12.935 1.00 0.00 C ATOM 424 CG LYS A 30 1.571 8.174 12.524 1.00 0.00 C ATOM 425 CD LYS A 30 1.355 9.282 13.545 1.00 0.00 C ATOM 426 CE LYS A 30 0.441 8.841 14.679 1.00 0.00 C ATOM 427 NZ LYS A 30 1.144 7.982 15.671 1.00 0.00 N ATOM 0 H LYS A 30 3.862 8.265 11.007 1.00 0.00 H new ATOM 0 HA LYS A 30 4.001 8.696 13.827 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.771 6.432 12.203 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.441 6.775 13.889 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.801 8.614 11.554 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.649 7.605 12.405 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.317 9.591 13.954 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.925 10.153 13.050 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.041 9.721 15.183 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.408 8.296 14.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.799 8.202 16.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.958 6.981 15.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.167 8.162 15.623 1.00 0.00 H new ATOM 441 N VAL A 31 5.561 6.102 12.521 1.00 0.00 N ATOM 442 CA VAL A 31 6.549 5.062 12.774 1.00 0.00 C ATOM 443 C VAL A 31 7.897 5.639 13.202 1.00 0.00 C ATOM 444 O VAL A 31 8.496 5.170 14.172 1.00 0.00 O ATOM 445 CB VAL A 31 6.747 4.171 11.534 1.00 0.00 C ATOM 446 CG1 VAL A 31 7.896 3.204 11.745 1.00 0.00 C ATOM 447 CG2 VAL A 31 5.469 3.416 11.215 1.00 0.00 C ATOM 0 H VAL A 31 5.252 6.158 11.550 1.00 0.00 H new ATOM 0 HA VAL A 31 6.158 4.460 13.594 1.00 0.00 H new ATOM 0 HB VAL A 31 6.992 4.812 10.687 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.018 2.584 10.857 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.814 3.763 11.926 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.683 2.568 12.604 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.626 2.791 10.336 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.196 2.788 12.063 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.667 4.126 11.017 1.00 0.00 H new ATOM 457 N GLU A 32 8.372 6.654 12.487 1.00 0.00 N ATOM 458 CA GLU A 32 9.654 7.280 12.802 1.00 0.00 C ATOM 459 C GLU A 32 9.628 7.885 14.202 1.00 0.00 C ATOM 460 O GLU A 32 10.655 7.987 14.868 1.00 0.00 O ATOM 461 CB GLU A 32 10.016 8.344 11.759 1.00 0.00 C ATOM 462 CG GLU A 32 9.120 9.573 11.788 1.00 0.00 C ATOM 463 CD GLU A 32 9.544 10.633 10.792 1.00 0.00 C ATOM 464 OE1 GLU A 32 10.766 10.830 10.606 1.00 0.00 O ATOM 465 OE2 GLU A 32 8.660 11.286 10.202 1.00 0.00 O ATOM 0 H GLU A 32 7.890 7.061 11.686 1.00 0.00 H new ATOM 0 HA GLU A 32 10.422 6.507 12.776 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.048 8.656 11.918 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.968 7.896 10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.093 9.273 11.578 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.128 9.999 12.791 1.00 0.00 H new ATOM 472 N GLU A 33 8.446 8.279 14.638 1.00 0.00 N ATOM 473 CA GLU A 33 8.273 8.865 15.952 1.00 0.00 C ATOM 474 C GLU A 33 8.320 7.786 17.031 1.00 0.00 C ATOM 475 O GLU A 33 8.895 7.986 18.102 1.00 0.00 O ATOM 476 CB GLU A 33 6.930 9.589 16.015 1.00 0.00 C ATOM 477 CG GLU A 33 6.780 10.487 17.227 1.00 0.00 C ATOM 478 CD GLU A 33 7.414 11.843 17.023 1.00 0.00 C ATOM 479 OE1 GLU A 33 6.813 12.681 16.316 1.00 0.00 O ATOM 480 OE2 GLU A 33 8.510 12.079 17.571 1.00 0.00 O ATOM 0 H GLU A 33 7.586 8.202 14.095 1.00 0.00 H new ATOM 0 HA GLU A 33 9.083 9.573 16.128 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.807 10.188 15.112 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.129 8.850 16.019 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.721 10.615 17.452 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.234 10.004 18.092 1.00 0.00 H new ATOM 487 N GLU A 34 7.726 6.641 16.728 1.00 0.00 N ATOM 488 CA GLU A 34 7.646 5.533 17.670 1.00 0.00 C ATOM 489 C GLU A 34 8.909 4.674 17.710 1.00 0.00 C ATOM 490 O GLU A 34 9.596 4.628 18.731 1.00 0.00 O ATOM 491 CB GLU A 34 6.444 4.660 17.327 1.00 0.00 C ATOM 492 CG GLU A 34 5.114 5.358 17.544 1.00 0.00 C ATOM 493 CD GLU A 34 4.739 5.437 19.006 1.00 0.00 C ATOM 494 OE1 GLU A 34 5.218 6.358 19.703 1.00 0.00 O ATOM 495 OE2 GLU A 34 3.962 4.578 19.465 1.00 0.00 O ATOM 0 H GLU A 34 7.287 6.454 15.826 1.00 0.00 H new ATOM 0 HA GLU A 34 7.537 5.972 18.662 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.516 4.347 16.285 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.475 3.756 17.935 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.163 6.365 17.129 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.334 4.826 16.999 1.00 0.00 H new ATOM 502 N GLU A 35 9.210 3.981 16.616 1.00 0.00 N ATOM 503 CA GLU A 35 10.376 3.103 16.584 1.00 0.00 C ATOM 504 C GLU A 35 11.485 3.640 15.688 1.00 0.00 C ATOM 505 O GLU A 35 12.607 3.132 15.729 1.00 0.00 O ATOM 506 CB GLU A 35 9.970 1.696 16.136 1.00 0.00 C ATOM 507 CG GLU A 35 9.219 1.658 14.813 1.00 0.00 C ATOM 508 CD GLU A 35 8.421 0.385 14.634 1.00 0.00 C ATOM 509 OE1 GLU A 35 9.015 -0.653 14.280 1.00 0.00 O ATOM 510 OE2 GLU A 35 7.194 0.414 14.861 1.00 0.00 O ATOM 0 H GLU A 35 8.671 4.009 15.750 1.00 0.00 H new ATOM 0 HA GLU A 35 10.773 3.062 17.598 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.866 1.081 16.051 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.346 1.246 16.909 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.547 2.515 14.756 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.930 1.755 13.993 1.00 0.00 H new ATOM 517 N ASP A 36 11.158 4.639 14.864 1.00 0.00 N ATOM 518 CA ASP A 36 12.124 5.275 13.948 1.00 0.00 C ATOM 519 C ASP A 36 12.504 4.364 12.775 1.00 0.00 C ATOM 520 O ASP A 36 12.716 4.835 11.657 1.00 0.00 O ATOM 521 CB ASP A 36 13.385 5.721 14.708 1.00 0.00 C ATOM 522 CG ASP A 36 14.462 6.284 13.798 1.00 0.00 C ATOM 523 OD1 ASP A 36 14.344 7.456 13.380 1.00 0.00 O ATOM 524 OD2 ASP A 36 15.440 5.560 13.508 1.00 0.00 O ATOM 0 H ASP A 36 10.219 5.033 14.809 1.00 0.00 H new ATOM 0 HA ASP A 36 11.631 6.153 13.530 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.110 6.475 15.445 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.790 4.871 15.258 1.00 0.00 H new ATOM 529 N GLU A 37 12.564 3.067 13.030 1.00 0.00 N ATOM 530 CA GLU A 37 12.926 2.092 12.021 1.00 0.00 C ATOM 531 C GLU A 37 11.699 1.327 11.553 1.00 0.00 C ATOM 532 O GLU A 37 11.343 0.298 12.128 1.00 0.00 O ATOM 533 CB GLU A 37 13.956 1.104 12.569 1.00 0.00 C ATOM 534 CG GLU A 37 15.264 1.739 13.002 1.00 0.00 C ATOM 535 CD GLU A 37 16.347 0.712 13.265 1.00 0.00 C ATOM 536 OE1 GLU A 37 16.044 -0.351 13.852 1.00 0.00 O ATOM 537 OE2 GLU A 37 17.509 0.956 12.883 1.00 0.00 O ATOM 0 H GLU A 37 12.362 2.663 13.945 1.00 0.00 H new ATOM 0 HA GLU A 37 13.359 2.630 11.178 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.522 0.579 13.420 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.165 0.355 11.805 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.602 2.430 12.230 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.098 2.327 13.905 1.00 0.00 H new ATOM 544 N SER A 38 11.042 1.854 10.532 1.00 0.00 N ATOM 545 CA SER A 38 9.862 1.207 9.965 1.00 0.00 C ATOM 546 C SER A 38 10.208 -0.210 9.516 1.00 0.00 C ATOM 547 O SER A 38 9.478 -1.160 9.798 1.00 0.00 O ATOM 548 CB SER A 38 9.301 2.023 8.792 1.00 0.00 C ATOM 549 OG SER A 38 10.288 2.255 7.797 1.00 0.00 O ATOM 0 H SER A 38 11.303 2.728 10.076 1.00 0.00 H new ATOM 0 HA SER A 38 9.093 1.154 10.735 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.456 1.494 8.351 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.923 2.977 9.160 1.00 0.00 H new ATOM 0 HG SER A 38 9.962 2.928 7.163 1.00 0.00 H new ATOM 555 N ALA A 39 11.335 -0.331 8.818 1.00 0.00 N ATOM 556 CA ALA A 39 11.841 -1.617 8.344 1.00 0.00 C ATOM 557 C ALA A 39 10.800 -2.421 7.555 1.00 0.00 C ATOM 558 O ALA A 39 9.924 -1.849 6.913 1.00 0.00 O ATOM 559 CB ALA A 39 12.365 -2.414 9.525 1.00 0.00 C ATOM 0 H ALA A 39 11.924 0.462 8.565 1.00 0.00 H new ATOM 0 HA ALA A 39 12.651 -1.416 7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.744 -3.375 9.176 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.170 -1.861 10.009 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.558 -2.580 10.239 1.00 0.00 H new ATOM 565 N LEU A 40 10.910 -3.746 7.621 1.00 0.00 N ATOM 566 CA LEU A 40 10.022 -4.660 6.899 1.00 0.00 C ATOM 567 C LEU A 40 8.542 -4.430 7.220 1.00 0.00 C ATOM 568 O LEU A 40 8.108 -4.607 8.361 1.00 0.00 O ATOM 569 CB LEU A 40 10.392 -6.107 7.229 1.00 0.00 C ATOM 570 CG LEU A 40 10.008 -7.133 6.168 1.00 0.00 C ATOM 571 CD1 LEU A 40 11.172 -7.374 5.224 1.00 0.00 C ATOM 572 CD2 LEU A 40 9.560 -8.434 6.816 1.00 0.00 C ATOM 0 H LEU A 40 11.620 -4.220 8.179 1.00 0.00 H new ATOM 0 HA LEU A 40 10.159 -4.461 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.468 -6.162 7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.913 -6.383 8.168 1.00 0.00 H new ATOM 0 HG LEU A 40 9.172 -6.739 5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.884 -8.108 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.442 -6.439 4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.026 -7.748 5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.291 -9.152 6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.373 -8.839 7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.695 -8.245 7.452 1.00 0.00 H new ATOM 584 N LYS A 41 7.778 -4.039 6.200 1.00 0.00 N ATOM 585 CA LYS A 41 6.343 -3.806 6.342 1.00 0.00 C ATOM 586 C LYS A 41 5.684 -3.609 4.977 1.00 0.00 C ATOM 587 O LYS A 41 4.716 -2.866 4.856 1.00 0.00 O ATOM 588 CB LYS A 41 6.045 -2.596 7.253 1.00 0.00 C ATOM 589 CG LYS A 41 6.999 -1.418 7.091 1.00 0.00 C ATOM 590 CD LYS A 41 6.704 -0.594 5.846 1.00 0.00 C ATOM 591 CE LYS A 41 7.506 0.698 5.834 1.00 0.00 C ATOM 592 NZ LYS A 41 8.971 0.449 5.927 1.00 0.00 N ATOM 0 H LYS A 41 8.135 -3.876 5.258 1.00 0.00 H new ATOM 0 HA LYS A 41 5.921 -4.694 6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.030 -2.252 7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.072 -2.926 8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.932 -0.778 7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.023 -1.788 7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.939 -1.179 4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.639 -0.364 5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.290 1.250 4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.192 1.327 6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.454 1.323 6.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.152 -0.298 6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.332 0.148 4.999 1.00 0.00 H new ATOM 606 N ARG A 42 6.203 -4.283 3.951 1.00 0.00 N ATOM 607 CA ARG A 42 5.655 -4.167 2.598 1.00 0.00 C ATOM 608 C ARG A 42 4.200 -4.633 2.562 1.00 0.00 C ATOM 609 O ARG A 42 3.319 -3.923 2.073 1.00 0.00 O ATOM 610 CB ARG A 42 6.505 -4.979 1.611 1.00 0.00 C ATOM 611 CG ARG A 42 5.829 -5.233 0.268 1.00 0.00 C ATOM 612 CD ARG A 42 6.793 -5.833 -0.748 1.00 0.00 C ATOM 613 NE ARG A 42 7.387 -7.091 -0.281 1.00 0.00 N ATOM 614 CZ ARG A 42 8.701 -7.333 -0.270 1.00 0.00 C ATOM 615 NH1 ARG A 42 9.550 -6.409 -0.687 1.00 0.00 N ATOM 616 NH2 ARG A 42 9.171 -8.498 0.158 1.00 0.00 N ATOM 0 H ARG A 42 7.001 -4.914 4.030 1.00 0.00 H new ATOM 0 HA ARG A 42 5.683 -3.118 2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.444 -4.453 1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.755 -5.937 2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.984 -5.907 0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.429 -4.296 -0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.265 -6.010 -1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.586 -5.116 -0.959 1.00 0.00 H new ATOM 0 HE ARG A 42 6.761 -7.823 0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.202 -5.509 -1.018 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.553 -6.596 -0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.527 -9.219 0.483 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.176 -8.672 0.162 1.00 0.00 H new ATOM 630 N SER A 43 3.953 -5.819 3.093 1.00 0.00 N ATOM 631 CA SER A 43 2.609 -6.374 3.119 1.00 0.00 C ATOM 632 C SER A 43 1.779 -5.738 4.233 1.00 0.00 C ATOM 633 O SER A 43 0.590 -5.468 4.057 1.00 0.00 O ATOM 634 CB SER A 43 2.684 -7.891 3.302 1.00 0.00 C ATOM 635 OG SER A 43 4.036 -8.331 3.319 1.00 0.00 O ATOM 0 H SER A 43 4.666 -6.417 3.512 1.00 0.00 H new ATOM 0 HA SER A 43 2.118 -6.153 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.193 -8.174 4.233 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.146 -8.386 2.494 1.00 0.00 H new ATOM 0 HG SER A 43 4.062 -9.303 3.439 1.00 0.00 H new ATOM 641 N GLU A 44 2.424 -5.482 5.370 1.00 0.00 N ATOM 642 CA GLU A 44 1.760 -4.885 6.526 1.00 0.00 C ATOM 643 C GLU A 44 1.219 -3.493 6.202 1.00 0.00 C ATOM 644 O GLU A 44 0.122 -3.136 6.630 1.00 0.00 O ATOM 645 CB GLU A 44 2.734 -4.802 7.701 1.00 0.00 C ATOM 646 CG GLU A 44 2.075 -4.384 9.005 1.00 0.00 C ATOM 647 CD GLU A 44 1.264 -5.497 9.634 1.00 0.00 C ATOM 648 OE1 GLU A 44 0.072 -5.651 9.285 1.00 0.00 O ATOM 649 OE2 GLU A 44 1.818 -6.222 10.487 1.00 0.00 O ATOM 0 H GLU A 44 3.414 -5.681 5.515 1.00 0.00 H new ATOM 0 HA GLU A 44 0.917 -5.521 6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.209 -5.773 7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.524 -4.092 7.458 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.843 -4.058 9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.427 -3.527 8.821 1.00 0.00 H new ATOM 656 N LEU A 45 1.997 -2.716 5.449 1.00 0.00 N ATOM 657 CA LEU A 45 1.603 -1.362 5.061 1.00 0.00 C ATOM 658 C LEU A 45 0.225 -1.367 4.414 1.00 0.00 C ATOM 659 O LEU A 45 -0.647 -0.575 4.768 1.00 0.00 O ATOM 660 CB LEU A 45 2.622 -0.772 4.085 1.00 0.00 C ATOM 661 CG LEU A 45 2.265 0.601 3.517 1.00 0.00 C ATOM 662 CD1 LEU A 45 2.582 1.692 4.524 1.00 0.00 C ATOM 663 CD2 LEU A 45 3.001 0.837 2.211 1.00 0.00 C ATOM 0 H LEU A 45 2.909 -3.003 5.094 1.00 0.00 H new ATOM 0 HA LEU A 45 1.569 -0.749 5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.584 -0.698 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.751 -1.467 3.256 1.00 0.00 H new ATOM 0 HG LEU A 45 1.194 0.629 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.321 2.663 4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.006 1.525 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.646 1.672 4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.738 1.819 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.076 0.793 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.719 0.069 1.490 1.00 0.00 H new ATOM 675 N VAL A 46 0.040 -2.260 3.459 1.00 0.00 N ATOM 676 CA VAL A 46 -1.230 -2.376 2.768 1.00 0.00 C ATOM 677 C VAL A 46 -2.266 -3.010 3.675 1.00 0.00 C ATOM 678 O VAL A 46 -3.423 -2.603 3.689 1.00 0.00 O ATOM 679 CB VAL A 46 -1.115 -3.234 1.502 1.00 0.00 C ATOM 680 CG1 VAL A 46 -2.360 -3.077 0.654 1.00 0.00 C ATOM 681 CG2 VAL A 46 0.130 -2.873 0.709 1.00 0.00 C ATOM 0 H VAL A 46 0.755 -2.916 3.144 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.530 -1.366 2.488 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.025 -4.279 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.269 -3.690 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.232 -3.396 1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.476 -2.031 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.187 -3.497 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.084 -1.824 0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.014 -3.039 1.324 1.00 0.00 H new ATOM 691 N ASN A 47 -1.821 -3.993 4.443 1.00 0.00 N ATOM 692 CA ASN A 47 -2.684 -4.730 5.360 1.00 0.00 C ATOM 693 C ASN A 47 -3.513 -3.793 6.235 1.00 0.00 C ATOM 694 O ASN A 47 -4.742 -3.832 6.189 1.00 0.00 O ATOM 695 CB ASN A 47 -1.841 -5.654 6.238 1.00 0.00 C ATOM 696 CG ASN A 47 -2.679 -6.627 7.042 1.00 0.00 C ATOM 697 OD1 ASN A 47 -3.725 -7.099 6.586 1.00 0.00 O ATOM 698 ND2 ASN A 47 -2.226 -6.933 8.247 1.00 0.00 N ATOM 0 H ASN A 47 -0.850 -4.304 4.450 1.00 0.00 H new ATOM 0 HA ASN A 47 -3.376 -5.323 4.762 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -1.148 -6.212 5.609 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.239 -5.052 6.918 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.746 -7.582 8.838 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.357 -6.520 8.585 1.00 0.00 H new ATOM 705 N TRP A 48 -2.853 -2.931 7.007 1.00 0.00 N ATOM 706 CA TRP A 48 -3.576 -2.005 7.882 1.00 0.00 C ATOM 707 C TRP A 48 -4.347 -0.969 7.062 1.00 0.00 C ATOM 708 O TRP A 48 -5.399 -0.487 7.487 1.00 0.00 O ATOM 709 CB TRP A 48 -2.633 -1.324 8.892 1.00 0.00 C ATOM 710 CG TRP A 48 -1.764 -0.239 8.321 1.00 0.00 C ATOM 711 CD1 TRP A 48 -0.502 -0.379 7.828 1.00 0.00 C ATOM 712 CD2 TRP A 48 -2.087 1.155 8.207 1.00 0.00 C ATOM 713 NE1 TRP A 48 -0.026 0.835 7.397 1.00 0.00 N ATOM 714 CE2 TRP A 48 -0.981 1.792 7.619 1.00 0.00 C ATOM 715 CE3 TRP A 48 -3.209 1.927 8.540 1.00 0.00 C ATOM 716 CZ2 TRP A 48 -0.961 3.157 7.352 1.00 0.00 C ATOM 717 CZ3 TRP A 48 -3.187 3.283 8.274 1.00 0.00 C ATOM 718 CH2 TRP A 48 -2.072 3.885 7.684 1.00 0.00 C ATOM 0 H TRP A 48 -1.837 -2.853 7.046 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.297 -2.589 8.454 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.233 -0.901 9.698 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -1.992 -2.085 9.337 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.045 -1.309 7.783 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.890 0.998 6.979 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.075 1.470 8.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -0.100 3.626 6.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.046 3.888 8.526 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.087 4.947 7.486 1.00 0.00 H new ATOM 729 N TYR A 49 -3.825 -0.642 5.883 1.00 0.00 N ATOM 730 CA TYR A 49 -4.466 0.324 4.996 1.00 0.00 C ATOM 731 C TYR A 49 -5.842 -0.177 4.600 1.00 0.00 C ATOM 732 O TYR A 49 -6.834 0.551 4.667 1.00 0.00 O ATOM 733 CB TYR A 49 -3.620 0.541 3.734 1.00 0.00 C ATOM 734 CG TYR A 49 -4.103 1.683 2.857 1.00 0.00 C ATOM 735 CD1 TYR A 49 -4.305 2.950 3.392 1.00 0.00 C ATOM 736 CD2 TYR A 49 -4.352 1.497 1.499 1.00 0.00 C ATOM 737 CE1 TYR A 49 -4.741 3.998 2.606 1.00 0.00 C ATOM 738 CE2 TYR A 49 -4.788 2.543 0.708 1.00 0.00 C ATOM 739 CZ TYR A 49 -4.982 3.790 1.267 1.00 0.00 C ATOM 740 OH TYR A 49 -5.412 4.835 0.482 1.00 0.00 O ATOM 0 H TYR A 49 -2.956 -1.034 5.519 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.559 1.272 5.526 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.589 0.734 4.029 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.618 -0.378 3.148 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.117 3.118 4.442 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.202 0.522 1.058 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.892 4.976 3.039 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.976 2.385 -0.344 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.386 4.790 0.382 1.00 0.00 H new ATOM 750 N LEU A 50 -5.886 -1.443 4.217 1.00 0.00 N ATOM 751 CA LEU A 50 -7.117 -2.077 3.792 1.00 0.00 C ATOM 752 C LEU A 50 -8.060 -2.245 4.965 1.00 0.00 C ATOM 753 O LEU A 50 -9.246 -1.980 4.845 1.00 0.00 O ATOM 754 CB LEU A 50 -6.824 -3.436 3.162 1.00 0.00 C ATOM 755 CG LEU A 50 -5.668 -3.444 2.164 1.00 0.00 C ATOM 756 CD1 LEU A 50 -5.315 -4.867 1.768 1.00 0.00 C ATOM 757 CD2 LEU A 50 -6.006 -2.599 0.946 1.00 0.00 C ATOM 0 H LEU A 50 -5.071 -2.056 4.193 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.593 -1.437 3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.604 -4.149 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.724 -3.788 2.657 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.793 -3.004 2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.489 -4.852 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.020 -5.429 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.182 -5.342 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.170 -2.617 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.895 -3.001 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.196 -1.572 1.257 1.00 0.00 H new ATOM 769 N LYS A 51 -7.514 -2.667 6.099 1.00 0.00 N ATOM 770 CA LYS A 51 -8.303 -2.872 7.315 1.00 0.00 C ATOM 771 C LYS A 51 -9.055 -1.601 7.713 1.00 0.00 C ATOM 772 O LYS A 51 -10.136 -1.657 8.300 1.00 0.00 O ATOM 773 CB LYS A 51 -7.391 -3.300 8.466 1.00 0.00 C ATOM 774 CG LYS A 51 -6.726 -4.654 8.270 1.00 0.00 C ATOM 775 CD LYS A 51 -7.664 -5.665 7.631 1.00 0.00 C ATOM 776 CE LYS A 51 -6.997 -7.023 7.478 1.00 0.00 C ATOM 777 NZ LYS A 51 -6.714 -7.654 8.794 1.00 0.00 N ATOM 0 H LYS A 51 -6.521 -2.876 6.205 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.032 -3.655 7.109 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.617 -2.545 8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.975 -3.325 9.386 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.841 -4.536 7.645 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.387 -5.034 9.234 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.562 -5.766 8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.981 -5.302 6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.640 -7.679 6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.066 -6.910 6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.468 -8.655 8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.919 -7.163 9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.557 -7.587 9.400 1.00 0.00 H new ATOM 791 N GLU A 52 -8.471 -0.460 7.387 1.00 0.00 N ATOM 792 CA GLU A 52 -9.061 0.831 7.711 1.00 0.00 C ATOM 793 C GLU A 52 -10.089 1.269 6.668 1.00 0.00 C ATOM 794 O GLU A 52 -11.235 1.578 7.005 1.00 0.00 O ATOM 795 CB GLU A 52 -7.962 1.891 7.829 1.00 0.00 C ATOM 796 CG GLU A 52 -7.180 1.815 9.130 1.00 0.00 C ATOM 797 CD GLU A 52 -8.012 2.219 10.327 1.00 0.00 C ATOM 798 OE1 GLU A 52 -8.664 3.285 10.270 1.00 0.00 O ATOM 799 OE2 GLU A 52 -8.018 1.480 11.334 1.00 0.00 O ATOM 0 H GLU A 52 -7.580 -0.401 6.893 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.579 0.725 8.664 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.271 1.781 6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.412 2.880 7.743 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.814 0.798 9.272 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.306 2.462 9.064 1.00 0.00 H new ATOM 806 N ILE A 53 -9.681 1.270 5.406 1.00 0.00 N ATOM 807 CA ILE A 53 -10.546 1.715 4.315 1.00 0.00 C ATOM 808 C ILE A 53 -11.689 0.743 4.030 1.00 0.00 C ATOM 809 O ILE A 53 -12.726 1.143 3.504 1.00 0.00 O ATOM 810 CB ILE A 53 -9.744 1.938 3.016 1.00 0.00 C ATOM 811 CG1 ILE A 53 -9.118 0.623 2.542 1.00 0.00 C ATOM 812 CG2 ILE A 53 -8.675 3.002 3.233 1.00 0.00 C ATOM 813 CD1 ILE A 53 -8.289 0.755 1.286 1.00 0.00 C ATOM 0 H ILE A 53 -8.753 0.967 5.109 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.976 2.659 4.649 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.424 2.289 2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.491 0.223 3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.912 -0.103 2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.116 3.150 2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.149 3.939 3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.995 2.679 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.881 -0.219 1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.915 1.124 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.472 1.455 1.461 1.00 0.00 H new ATOM 825 N GLU A 54 -11.518 -0.519 4.409 1.00 0.00 N ATOM 826 CA GLU A 54 -12.531 -1.543 4.159 1.00 0.00 C ATOM 827 C GLU A 54 -13.838 -1.241 4.885 1.00 0.00 C ATOM 828 O GLU A 54 -14.867 -1.851 4.605 1.00 0.00 O ATOM 829 CB GLU A 54 -12.006 -2.913 4.580 1.00 0.00 C ATOM 830 CG GLU A 54 -12.032 -3.140 6.082 1.00 0.00 C ATOM 831 CD GLU A 54 -11.658 -4.552 6.468 1.00 0.00 C ATOM 832 OE1 GLU A 54 -10.847 -5.180 5.756 1.00 0.00 O ATOM 833 OE2 GLU A 54 -12.178 -5.043 7.493 1.00 0.00 O ATOM 0 H GLU A 54 -10.686 -0.860 4.892 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.740 -1.544 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.601 -3.686 4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.983 -3.026 4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.345 -2.443 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.029 -2.917 6.461 1.00 0.00 H new ATOM 840 N SER A 55 -13.792 -0.302 5.816 1.00 0.00 N ATOM 841 CA SER A 55 -14.972 0.075 6.570 1.00 0.00 C ATOM 842 C SER A 55 -15.967 0.826 5.683 1.00 0.00 C ATOM 843 O SER A 55 -17.175 0.785 5.917 1.00 0.00 O ATOM 844 CB SER A 55 -14.560 0.933 7.764 1.00 0.00 C ATOM 845 OG SER A 55 -13.351 0.450 8.334 1.00 0.00 O ATOM 0 H SER A 55 -12.948 0.213 6.067 1.00 0.00 H new ATOM 0 HA SER A 55 -15.465 -0.827 6.932 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.431 1.968 7.448 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.351 0.925 8.514 1.00 0.00 H new ATOM 0 HG SER A 55 -12.591 0.928 7.942 1.00 0.00 H new ATOM 851 N GLU A 56 -15.458 1.491 4.651 1.00 0.00 N ATOM 852 CA GLU A 56 -16.315 2.250 3.746 1.00 0.00 C ATOM 853 C GLU A 56 -16.483 1.525 2.414 1.00 0.00 C ATOM 854 O GLU A 56 -17.300 1.925 1.583 1.00 0.00 O ATOM 855 CB GLU A 56 -15.748 3.651 3.505 1.00 0.00 C ATOM 856 CG GLU A 56 -14.491 3.669 2.649 1.00 0.00 C ATOM 857 CD GLU A 56 -14.329 4.966 1.886 1.00 0.00 C ATOM 858 OE1 GLU A 56 -13.716 5.910 2.432 1.00 0.00 O ATOM 859 OE2 GLU A 56 -14.819 5.050 0.737 1.00 0.00 O ATOM 0 H GLU A 56 -14.465 1.520 4.421 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.293 2.342 4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.511 4.263 3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.527 4.113 4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.620 3.514 3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.523 2.838 1.944 1.00 0.00 H new ATOM 866 N ILE A 57 -15.708 0.467 2.214 1.00 0.00 N ATOM 867 CA ILE A 57 -15.774 -0.298 0.978 1.00 0.00 C ATOM 868 C ILE A 57 -17.000 -1.196 0.975 1.00 0.00 C ATOM 869 O ILE A 57 -17.154 -2.061 1.840 1.00 0.00 O ATOM 870 CB ILE A 57 -14.521 -1.172 0.773 1.00 0.00 C ATOM 871 CG1 ILE A 57 -13.246 -0.333 0.879 1.00 0.00 C ATOM 872 CG2 ILE A 57 -14.583 -1.881 -0.570 1.00 0.00 C ATOM 873 CD1 ILE A 57 -13.181 0.822 -0.100 1.00 0.00 C ATOM 0 H ILE A 57 -15.028 0.120 2.891 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.833 0.423 0.163 1.00 0.00 H new ATOM 0 HB ILE A 57 -14.497 -1.924 1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -13.166 0.059 1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.384 -0.980 0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.691 -2.494 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -15.468 -2.516 -0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.634 -1.142 -1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -12.247 1.366 0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.228 0.438 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -14.022 1.494 0.074 1.00 0.00 H new ATOM 885 N ASP A 58 -17.871 -0.981 0.011 1.00 0.00 N ATOM 886 CA ASP A 58 -19.080 -1.776 -0.110 1.00 0.00 C ATOM 887 C ASP A 58 -19.064 -2.553 -1.418 1.00 0.00 C ATOM 888 O ASP A 58 -19.811 -3.516 -1.601 1.00 0.00 O ATOM 889 CB ASP A 58 -20.316 -0.877 -0.043 1.00 0.00 C ATOM 890 CG ASP A 58 -21.610 -1.664 -0.076 1.00 0.00 C ATOM 891 OD1 ASP A 58 -21.866 -2.442 0.868 1.00 0.00 O ATOM 892 OD2 ASP A 58 -22.383 -1.506 -1.046 1.00 0.00 O ATOM 0 H ASP A 58 -17.766 -0.261 -0.703 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.120 -2.483 0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.280 -0.283 0.870 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.298 -0.178 -0.879 1.00 0.00 H new ATOM 897 N SER A 59 -18.177 -2.148 -2.312 1.00 0.00 N ATOM 898 CA SER A 59 -18.064 -2.777 -3.610 1.00 0.00 C ATOM 899 C SER A 59 -16.690 -3.412 -3.785 1.00 0.00 C ATOM 900 O SER A 59 -15.688 -2.900 -3.287 1.00 0.00 O ATOM 901 CB SER A 59 -18.318 -1.736 -4.696 1.00 0.00 C ATOM 902 OG SER A 59 -19.080 -0.653 -4.183 1.00 0.00 O ATOM 0 H SER A 59 -17.522 -1.381 -2.157 1.00 0.00 H new ATOM 0 HA SER A 59 -18.808 -3.570 -3.690 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.368 -1.368 -5.083 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.846 -2.196 -5.531 1.00 0.00 H new ATOM 0 HG SER A 59 -18.537 -0.143 -3.546 1.00 0.00 H new ATOM 908 N GLU A 60 -16.653 -4.527 -4.494 1.00 0.00 N ATOM 909 CA GLU A 60 -15.412 -5.247 -4.737 1.00 0.00 C ATOM 910 C GLU A 60 -14.430 -4.391 -5.525 1.00 0.00 C ATOM 911 O GLU A 60 -13.227 -4.412 -5.260 1.00 0.00 O ATOM 912 CB GLU A 60 -15.698 -6.542 -5.495 1.00 0.00 C ATOM 913 CG GLU A 60 -14.481 -7.435 -5.659 1.00 0.00 C ATOM 914 CD GLU A 60 -14.815 -8.755 -6.317 1.00 0.00 C ATOM 915 OE1 GLU A 60 -15.409 -9.617 -5.642 1.00 0.00 O ATOM 916 OE2 GLU A 60 -14.492 -8.936 -7.512 1.00 0.00 O ATOM 0 H GLU A 60 -17.476 -4.958 -4.916 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.962 -5.485 -3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.476 -7.096 -4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.093 -6.296 -6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.731 -6.915 -6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.037 -7.622 -4.681 1.00 0.00 H new ATOM 923 N GLU A 61 -14.954 -3.622 -6.475 1.00 0.00 N ATOM 924 CA GLU A 61 -14.126 -2.767 -7.314 1.00 0.00 C ATOM 925 C GLU A 61 -13.334 -1.766 -6.478 1.00 0.00 C ATOM 926 O GLU A 61 -12.179 -1.482 -6.782 1.00 0.00 O ATOM 927 CB GLU A 61 -14.979 -2.043 -8.352 1.00 0.00 C ATOM 928 CG GLU A 61 -15.310 -2.907 -9.555 1.00 0.00 C ATOM 929 CD GLU A 61 -16.043 -2.143 -10.634 1.00 0.00 C ATOM 930 OE1 GLU A 61 -15.594 -1.031 -10.992 1.00 0.00 O ATOM 931 OE2 GLU A 61 -17.076 -2.644 -11.127 1.00 0.00 O ATOM 0 H GLU A 61 -15.952 -3.575 -6.682 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.412 -3.405 -7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.906 -1.710 -7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.453 -1.149 -8.687 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.388 -3.318 -9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.920 -3.752 -9.235 1.00 0.00 H new ATOM 938 N GLU A 62 -13.949 -1.250 -5.419 1.00 0.00 N ATOM 939 CA GLU A 62 -13.276 -0.297 -4.541 1.00 0.00 C ATOM 940 C GLU A 62 -12.076 -0.961 -3.873 1.00 0.00 C ATOM 941 O GLU A 62 -10.974 -0.408 -3.833 1.00 0.00 O ATOM 942 CB GLU A 62 -14.233 0.223 -3.466 1.00 0.00 C ATOM 943 CG GLU A 62 -15.584 0.671 -3.996 1.00 0.00 C ATOM 944 CD GLU A 62 -16.492 1.184 -2.897 1.00 0.00 C ATOM 945 OE1 GLU A 62 -16.449 2.398 -2.605 1.00 0.00 O ATOM 946 OE2 GLU A 62 -17.256 0.376 -2.327 1.00 0.00 O ATOM 0 H GLU A 62 -14.907 -1.473 -5.148 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.939 0.544 -5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.388 -0.561 -2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.762 1.060 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.438 1.455 -4.739 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.068 -0.164 -4.504 1.00 0.00 H new ATOM 953 N LEU A 63 -12.308 -2.163 -3.358 1.00 0.00 N ATOM 954 CA LEU A 63 -11.272 -2.933 -2.687 1.00 0.00 C ATOM 955 C LEU A 63 -10.160 -3.308 -3.650 1.00 0.00 C ATOM 956 O LEU A 63 -8.981 -3.182 -3.318 1.00 0.00 O ATOM 957 CB LEU A 63 -11.876 -4.186 -2.057 1.00 0.00 C ATOM 958 CG LEU A 63 -11.258 -4.596 -0.721 1.00 0.00 C ATOM 959 CD1 LEU A 63 -11.388 -3.474 0.298 1.00 0.00 C ATOM 960 CD2 LEU A 63 -11.909 -5.868 -0.201 1.00 0.00 C ATOM 0 H LEU A 63 -13.215 -2.628 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.840 -2.313 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.944 -4.023 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.772 -5.014 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.198 -4.792 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.942 -3.786 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.873 -2.586 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.442 -3.244 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.457 -6.145 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.977 -5.699 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.761 -6.673 -0.921 1.00 0.00 H new ATOM 972 N ILE A 64 -10.535 -3.757 -4.839 1.00 0.00 N ATOM 973 CA ILE A 64 -9.558 -4.144 -5.843 1.00 0.00 C ATOM 974 C ILE A 64 -8.747 -2.938 -6.299 1.00 0.00 C ATOM 975 O ILE A 64 -7.524 -3.014 -6.397 1.00 0.00 O ATOM 976 CB ILE A 64 -10.231 -4.826 -7.052 1.00 0.00 C ATOM 977 CG1 ILE A 64 -10.854 -6.149 -6.607 1.00 0.00 C ATOM 978 CG2 ILE A 64 -9.228 -5.059 -8.179 1.00 0.00 C ATOM 979 CD1 ILE A 64 -11.739 -6.790 -7.647 1.00 0.00 C ATOM 0 H ILE A 64 -11.507 -3.862 -5.131 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.883 -4.866 -5.383 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.012 -4.170 -7.435 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.057 -6.844 -6.345 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.438 -5.978 -5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.729 -5.541 -9.018 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.816 -4.103 -8.503 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.422 -5.699 -7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.143 -7.724 -7.256 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -12.559 -6.115 -7.893 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.156 -6.995 -8.545 1.00 0.00 H new ATOM 991 N ASN A 65 -9.423 -1.822 -6.551 1.00 0.00 N ATOM 992 CA ASN A 65 -8.746 -0.600 -6.983 1.00 0.00 C ATOM 993 C ASN A 65 -7.718 -0.160 -5.951 1.00 0.00 C ATOM 994 O ASN A 65 -6.555 0.069 -6.282 1.00 0.00 O ATOM 995 CB ASN A 65 -9.752 0.531 -7.224 1.00 0.00 C ATOM 996 CG ASN A 65 -9.115 1.905 -7.101 1.00 0.00 C ATOM 997 OD1 ASN A 65 -8.425 2.370 -8.010 1.00 0.00 O ATOM 998 ND2 ASN A 65 -9.350 2.566 -5.976 1.00 0.00 N ATOM 0 H ASN A 65 -10.436 -1.736 -6.465 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.236 -0.820 -7.921 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.187 0.422 -8.218 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.569 0.446 -6.508 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.954 3.496 -5.839 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.927 2.145 -5.248 1.00 0.00 H new ATOM 1005 N LYS A 66 -8.153 -0.057 -4.700 1.00 0.00 N ATOM 1006 CA LYS A 66 -7.273 0.362 -3.616 1.00 0.00 C ATOM 1007 C LYS A 66 -6.082 -0.576 -3.494 1.00 0.00 C ATOM 1008 O LYS A 66 -4.946 -0.130 -3.336 1.00 0.00 O ATOM 1009 CB LYS A 66 -8.042 0.413 -2.298 1.00 0.00 C ATOM 1010 CG LYS A 66 -8.788 1.721 -2.080 1.00 0.00 C ATOM 1011 CD LYS A 66 -7.836 2.906 -2.063 1.00 0.00 C ATOM 1012 CE LYS A 66 -8.502 4.159 -1.515 1.00 0.00 C ATOM 1013 NZ LYS A 66 -9.563 4.675 -2.420 1.00 0.00 N ATOM 0 H LYS A 66 -9.110 -0.258 -4.412 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.901 1.361 -3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.755 -0.411 -2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.345 0.260 -1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.526 1.857 -2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.334 1.678 -1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.964 2.663 -1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.477 3.098 -3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.935 3.941 -0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.749 4.932 -1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.679 5.698 -2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.293 4.498 -3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.460 4.191 -2.214 1.00 0.00 H new ATOM 1027 N LYS A 67 -6.346 -1.874 -3.586 1.00 0.00 N ATOM 1028 CA LYS A 67 -5.294 -2.874 -3.488 1.00 0.00 C ATOM 1029 C LYS A 67 -4.365 -2.825 -4.703 1.00 0.00 C ATOM 1030 O LYS A 67 -3.177 -3.111 -4.592 1.00 0.00 O ATOM 1031 CB LYS A 67 -5.907 -4.265 -3.335 1.00 0.00 C ATOM 1032 CG LYS A 67 -6.280 -4.593 -1.899 1.00 0.00 C ATOM 1033 CD LYS A 67 -7.532 -5.449 -1.820 1.00 0.00 C ATOM 1034 CE LYS A 67 -7.803 -5.910 -0.402 1.00 0.00 C ATOM 1035 NZ LYS A 67 -8.334 -4.818 0.454 1.00 0.00 N ATOM 0 H LYS A 67 -7.281 -2.257 -3.728 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.694 -2.652 -2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.797 -4.335 -3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.200 -5.010 -3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.452 -5.115 -1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.437 -3.668 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.386 -4.881 -2.188 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.422 -6.317 -2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.516 -6.734 -0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.882 -6.296 0.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.680 -4.648 1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.428 -3.949 -0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.265 -5.091 0.827 1.00 0.00 H new ATOM 1049 N ARG A 68 -4.913 -2.469 -5.856 1.00 0.00 N ATOM 1050 CA ARG A 68 -4.130 -2.380 -7.083 1.00 0.00 C ATOM 1051 C ARG A 68 -3.266 -1.117 -7.103 1.00 0.00 C ATOM 1052 O ARG A 68 -2.142 -1.132 -7.597 1.00 0.00 O ATOM 1053 CB ARG A 68 -5.052 -2.416 -8.304 1.00 0.00 C ATOM 1054 CG ARG A 68 -4.312 -2.519 -9.625 1.00 0.00 C ATOM 1055 CD ARG A 68 -3.403 -3.736 -9.660 1.00 0.00 C ATOM 1056 NE ARG A 68 -3.810 -4.694 -10.682 1.00 0.00 N ATOM 1057 CZ ARG A 68 -3.029 -5.666 -11.151 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -1.809 -5.850 -10.653 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -3.482 -6.479 -12.096 1.00 0.00 N ATOM 0 H ARG A 68 -5.900 -2.236 -5.969 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.462 -3.241 -7.118 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.731 -3.264 -8.211 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.666 -1.516 -8.311 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.031 -2.577 -10.442 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.721 -1.617 -9.783 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.378 -3.417 -9.850 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.410 -4.222 -8.684 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.753 -4.615 -11.062 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.466 -5.245 -9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.217 -6.596 -11.017 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.426 -6.359 -12.462 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.886 -7.224 -12.457 1.00 0.00 H new ATOM 1073 N ILE A 69 -3.794 -0.026 -6.571 1.00 0.00 N ATOM 1074 CA ILE A 69 -3.065 1.235 -6.541 1.00 0.00 C ATOM 1075 C ILE A 69 -1.946 1.189 -5.509 1.00 0.00 C ATOM 1076 O ILE A 69 -0.828 1.635 -5.772 1.00 0.00 O ATOM 1077 CB ILE A 69 -4.000 2.425 -6.223 1.00 0.00 C ATOM 1078 CG1 ILE A 69 -5.016 2.625 -7.353 1.00 0.00 C ATOM 1079 CG2 ILE A 69 -3.199 3.704 -5.997 1.00 0.00 C ATOM 1080 CD1 ILE A 69 -4.387 2.954 -8.693 1.00 0.00 C ATOM 0 H ILE A 69 -4.724 0.013 -6.154 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.639 1.380 -7.534 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.539 2.195 -5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.614 1.719 -7.456 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.699 3.428 -7.076 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.880 4.526 -5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.516 3.562 -5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.628 3.939 -6.895 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.170 3.081 -9.441 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.813 3.877 -8.609 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.726 2.141 -8.994 1.00 0.00 H new ATOM 1092 N ILE A 70 -2.250 0.636 -4.341 1.00 0.00 N ATOM 1093 CA ILE A 70 -1.273 0.544 -3.267 1.00 0.00 C ATOM 1094 C ILE A 70 -0.056 -0.291 -3.689 1.00 0.00 C ATOM 1095 O ILE A 70 1.083 0.086 -3.406 1.00 0.00 O ATOM 1096 CB ILE A 70 -1.906 -0.019 -1.972 1.00 0.00 C ATOM 1097 CG1 ILE A 70 -0.930 0.070 -0.797 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -2.362 -1.451 -2.170 1.00 0.00 C ATOM 1099 CD1 ILE A 70 -0.519 1.480 -0.447 1.00 0.00 C ATOM 0 H ILE A 70 -3.165 0.245 -4.115 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.928 1.556 -3.056 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.778 0.592 -1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.387 -0.392 0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.038 -0.510 -1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.803 -1.823 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.104 -1.490 -2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.507 -2.071 -2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.173 1.459 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.031 1.941 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.402 2.060 -0.177 1.00 0.00 H new ATOM 1111 N GLU A 71 -0.288 -1.398 -4.401 1.00 0.00 N ATOM 1112 CA GLU A 71 0.812 -2.246 -4.851 1.00 0.00 C ATOM 1113 C GLU A 71 1.602 -1.544 -5.952 1.00 0.00 C ATOM 1114 O GLU A 71 2.807 -1.766 -6.106 1.00 0.00 O ATOM 1115 CB GLU A 71 0.310 -3.622 -5.327 1.00 0.00 C ATOM 1116 CG GLU A 71 -0.785 -3.565 -6.381 1.00 0.00 C ATOM 1117 CD GLU A 71 -0.317 -3.998 -7.756 1.00 0.00 C ATOM 1118 OE1 GLU A 71 0.389 -3.220 -8.423 1.00 0.00 O ATOM 1119 OE2 GLU A 71 -0.672 -5.114 -8.186 1.00 0.00 O ATOM 0 H GLU A 71 -1.216 -1.722 -4.674 1.00 0.00 H new ATOM 0 HA GLU A 71 1.473 -2.419 -4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.154 -4.183 -5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.061 -4.177 -4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.613 -4.202 -6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.170 -2.547 -6.440 1.00 0.00 H new ATOM 1126 N LYS A 72 0.923 -0.685 -6.709 1.00 0.00 N ATOM 1127 CA LYS A 72 1.574 0.064 -7.775 1.00 0.00 C ATOM 1128 C LYS A 72 2.559 1.055 -7.180 1.00 0.00 C ATOM 1129 O LYS A 72 3.715 1.126 -7.596 1.00 0.00 O ATOM 1130 CB LYS A 72 0.550 0.810 -8.632 1.00 0.00 C ATOM 1131 CG LYS A 72 -0.096 -0.051 -9.699 1.00 0.00 C ATOM 1132 CD LYS A 72 -1.015 0.767 -10.591 1.00 0.00 C ATOM 1133 CE LYS A 72 -0.226 1.687 -11.510 1.00 0.00 C ATOM 1134 NZ LYS A 72 -1.114 2.574 -12.303 1.00 0.00 N ATOM 0 H LYS A 72 -0.073 -0.493 -6.603 1.00 0.00 H new ATOM 0 HA LYS A 72 2.103 -0.644 -8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.228 1.214 -7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.039 1.659 -9.110 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.677 -0.522 -10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.664 -0.853 -9.227 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.634 0.098 -11.189 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.690 1.360 -9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.457 2.294 -10.916 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.385 1.088 -12.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.641 2.834 -13.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.002 2.076 -12.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.323 3.434 -11.757 1.00 0.00 H new ATOM 1148 N VAL A 73 2.094 1.802 -6.187 1.00 0.00 N ATOM 1149 CA VAL A 73 2.920 2.794 -5.515 1.00 0.00 C ATOM 1150 C VAL A 73 4.113 2.133 -4.821 1.00 0.00 C ATOM 1151 O VAL A 73 5.221 2.661 -4.850 1.00 0.00 O ATOM 1152 CB VAL A 73 2.088 3.617 -4.506 1.00 0.00 C ATOM 1153 CG1 VAL A 73 2.972 4.536 -3.675 1.00 0.00 C ATOM 1154 CG2 VAL A 73 1.030 4.427 -5.241 1.00 0.00 C ATOM 0 H VAL A 73 1.142 1.738 -5.828 1.00 0.00 H new ATOM 0 HA VAL A 73 3.304 3.477 -6.273 1.00 0.00 H new ATOM 0 HB VAL A 73 1.599 2.921 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.355 5.100 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.697 3.940 -3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.499 5.227 -4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.449 5.004 -4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.514 5.105 -5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.368 3.753 -5.785 1.00 0.00 H new ATOM 1164 N ILE A 74 3.893 0.964 -4.222 1.00 0.00 N ATOM 1165 CA ILE A 74 4.975 0.241 -3.555 1.00 0.00 C ATOM 1166 C ILE A 74 6.047 -0.148 -4.573 1.00 0.00 C ATOM 1167 O ILE A 74 7.246 0.006 -4.324 1.00 0.00 O ATOM 1168 CB ILE A 74 4.465 -1.023 -2.826 1.00 0.00 C ATOM 1169 CG1 ILE A 74 3.571 -0.627 -1.649 1.00 0.00 C ATOM 1170 CG2 ILE A 74 5.633 -1.874 -2.340 1.00 0.00 C ATOM 1171 CD1 ILE A 74 2.975 -1.809 -0.921 1.00 0.00 C ATOM 0 H ILE A 74 2.985 0.501 -4.184 1.00 0.00 H new ATOM 0 HA ILE A 74 5.400 0.908 -2.805 1.00 0.00 H new ATOM 0 HB ILE A 74 3.880 -1.615 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.153 -0.032 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.765 0.010 -2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.251 -2.758 -1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.240 -2.180 -3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.244 -1.293 -1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.353 -1.454 -0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.366 -2.392 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.776 -2.435 -0.526 1.00 0.00 H new ATOM 1183 N HIS A 75 5.605 -0.636 -5.730 1.00 0.00 N ATOM 1184 CA HIS A 75 6.518 -1.016 -6.801 1.00 0.00 C ATOM 1185 C HIS A 75 7.237 0.228 -7.319 1.00 0.00 C ATOM 1186 O HIS A 75 8.414 0.188 -7.675 1.00 0.00 O ATOM 1187 CB HIS A 75 5.747 -1.716 -7.931 1.00 0.00 C ATOM 1188 CG HIS A 75 6.426 -1.689 -9.273 1.00 0.00 C ATOM 1189 ND1 HIS A 75 7.671 -2.231 -9.506 1.00 0.00 N ATOM 1190 CD2 HIS A 75 6.014 -1.182 -10.460 1.00 0.00 C ATOM 1191 CE1 HIS A 75 7.997 -2.055 -10.772 1.00 0.00 C ATOM 1192 NE2 HIS A 75 7.010 -1.423 -11.373 1.00 0.00 N ATOM 0 H HIS A 75 4.619 -0.777 -5.948 1.00 0.00 H new ATOM 0 HA HIS A 75 7.260 -1.716 -6.417 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.578 -2.755 -7.647 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.767 -1.248 -8.026 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.076 -0.681 -10.652 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.918 -2.375 -11.237 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.989 -1.156 -12.357 1.00 0.00 H new ATOM 1201 N ARG A 76 6.508 1.331 -7.357 1.00 0.00 N ATOM 1202 CA ARG A 76 7.053 2.600 -7.801 1.00 0.00 C ATOM 1203 C ARG A 76 8.119 3.077 -6.821 1.00 0.00 C ATOM 1204 O ARG A 76 9.170 3.579 -7.218 1.00 0.00 O ATOM 1205 CB ARG A 76 5.928 3.629 -7.906 1.00 0.00 C ATOM 1206 CG ARG A 76 6.410 5.039 -8.184 1.00 0.00 C ATOM 1207 CD ARG A 76 5.368 6.063 -7.779 1.00 0.00 C ATOM 1208 NE ARG A 76 4.221 6.062 -8.678 1.00 0.00 N ATOM 1209 CZ ARG A 76 3.533 7.153 -8.998 1.00 0.00 C ATOM 1210 NH1 ARG A 76 3.830 8.322 -8.439 1.00 0.00 N ATOM 1211 NH2 ARG A 76 2.539 7.072 -9.872 1.00 0.00 N ATOM 0 H ARG A 76 5.527 1.371 -7.082 1.00 0.00 H new ATOM 0 HA ARG A 76 7.513 2.476 -8.782 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.245 3.326 -8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.359 3.627 -6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.336 5.224 -7.640 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.637 5.146 -9.245 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.032 5.856 -6.763 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.820 7.055 -7.769 1.00 0.00 H new ATOM 0 HE ARG A 76 3.930 5.173 -9.085 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.589 8.385 -7.761 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.299 9.156 -8.688 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.305 6.174 -10.296 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.009 7.907 -10.120 1.00 0.00 H new ATOM 1225 N LEU A 77 7.835 2.885 -5.543 1.00 0.00 N ATOM 1226 CA LEU A 77 8.729 3.277 -4.463 1.00 0.00 C ATOM 1227 C LEU A 77 10.060 2.525 -4.531 1.00 0.00 C ATOM 1228 O LEU A 77 11.102 3.048 -4.131 1.00 0.00 O ATOM 1229 CB LEU A 77 8.034 3.008 -3.124 1.00 0.00 C ATOM 1230 CG LEU A 77 8.838 3.350 -1.870 1.00 0.00 C ATOM 1231 CD1 LEU A 77 9.202 4.822 -1.852 1.00 0.00 C ATOM 1232 CD2 LEU A 77 8.048 2.987 -0.626 1.00 0.00 C ATOM 0 H LEU A 77 6.970 2.449 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 77 8.953 4.339 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.103 3.575 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.766 1.952 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 77 9.760 2.769 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.774 5.044 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.802 5.059 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.292 5.422 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.631 3.235 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.112 3.546 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.832 1.919 -0.631 1.00 0.00 H new ATOM 1244 N THR A 78 10.028 1.315 -5.069 1.00 0.00 N ATOM 1245 CA THR A 78 11.229 0.498 -5.165 1.00 0.00 C ATOM 1246 C THR A 78 11.960 0.686 -6.496 1.00 0.00 C ATOM 1247 O THR A 78 12.952 0.006 -6.759 1.00 0.00 O ATOM 1248 CB THR A 78 10.896 -0.994 -4.983 1.00 0.00 C ATOM 1249 OG1 THR A 78 9.505 -1.229 -5.256 1.00 0.00 O ATOM 1250 CG2 THR A 78 11.226 -1.450 -3.573 1.00 0.00 C ATOM 0 H THR A 78 9.186 0.878 -5.445 1.00 0.00 H new ATOM 0 HA THR A 78 11.888 0.831 -4.363 1.00 0.00 H new ATOM 0 HB THR A 78 11.501 -1.566 -5.686 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.305 -2.181 -5.139 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.983 -2.507 -3.466 1.00 0.00 H new ATOM 0 HG22 THR A 78 12.289 -1.301 -3.382 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.644 -0.870 -2.857 1.00 0.00 H new ATOM 1258 N HIS A 79 11.483 1.600 -7.334 1.00 0.00 N ATOM 1259 CA HIS A 79 12.123 1.825 -8.630 1.00 0.00 C ATOM 1260 C HIS A 79 12.077 3.298 -9.040 1.00 0.00 C ATOM 1261 O HIS A 79 13.099 3.978 -9.034 1.00 0.00 O ATOM 1262 CB HIS A 79 11.459 0.949 -9.705 1.00 0.00 C ATOM 1263 CG HIS A 79 12.078 1.065 -11.072 1.00 0.00 C ATOM 1264 ND1 HIS A 79 13.393 0.751 -11.339 1.00 0.00 N ATOM 1265 CD2 HIS A 79 11.551 1.481 -12.248 1.00 0.00 C ATOM 1266 CE1 HIS A 79 13.642 0.964 -12.617 1.00 0.00 C ATOM 1267 NE2 HIS A 79 12.542 1.407 -13.192 1.00 0.00 N ATOM 0 H HIS A 79 10.671 2.188 -7.147 1.00 0.00 H new ATOM 0 HA HIS A 79 13.172 1.546 -8.535 1.00 0.00 H new ATOM 0 HB2 HIS A 79 11.504 -0.092 -9.386 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.404 1.216 -9.773 1.00 0.00 H new ATOM 0 HD2 HIS A 79 10.536 1.811 -12.412 1.00 0.00 H new ATOM 0 HE1 HIS A 79 14.589 0.802 -13.110 1.00 0.00 H new ATOM 0 HE2 HIS A 79 12.444 1.654 -14.177 1.00 0.00 H new ATOM 1276 N TYR A 80 10.885 3.779 -9.378 1.00 0.00 N ATOM 1277 CA TYR A 80 10.697 5.161 -9.823 1.00 0.00 C ATOM 1278 C TYR A 80 11.113 6.164 -8.750 1.00 0.00 C ATOM 1279 O TYR A 80 11.938 7.044 -8.996 1.00 0.00 O ATOM 1280 CB TYR A 80 9.233 5.413 -10.195 1.00 0.00 C ATOM 1281 CG TYR A 80 8.671 4.469 -11.237 1.00 0.00 C ATOM 1282 CD1 TYR A 80 8.155 3.229 -10.878 1.00 0.00 C ATOM 1283 CD2 TYR A 80 8.642 4.825 -12.578 1.00 0.00 C ATOM 1284 CE1 TYR A 80 7.632 2.372 -11.823 1.00 0.00 C ATOM 1285 CE2 TYR A 80 8.120 3.971 -13.530 1.00 0.00 C ATOM 1286 CZ TYR A 80 7.618 2.748 -13.148 1.00 0.00 C ATOM 1287 OH TYR A 80 7.098 1.899 -14.096 1.00 0.00 O ATOM 0 H TYR A 80 10.026 3.229 -9.353 1.00 0.00 H new ATOM 0 HA TYR A 80 11.332 5.301 -10.697 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.626 5.339 -9.293 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.137 6.435 -10.561 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.164 2.932 -9.840 1.00 0.00 H new ATOM 0 HD2 TYR A 80 9.034 5.785 -12.882 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.236 1.412 -11.526 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.106 4.262 -14.570 1.00 0.00 H new ATOM 0 HH TYR A 80 7.163 2.317 -14.980 1.00 0.00 H new ATOM 1297 N ASP A 81 10.529 6.030 -7.565 1.00 0.00 N ATOM 1298 CA ASP A 81 10.824 6.938 -6.458 1.00 0.00 C ATOM 1299 C ASP A 81 12.276 6.796 -6.023 1.00 0.00 C ATOM 1300 O ASP A 81 12.968 7.792 -5.813 1.00 0.00 O ATOM 1301 CB ASP A 81 9.884 6.673 -5.277 1.00 0.00 C ATOM 1302 CG ASP A 81 8.427 6.915 -5.625 1.00 0.00 C ATOM 1303 OD1 ASP A 81 8.139 7.860 -6.389 1.00 0.00 O ATOM 1304 OD2 ASP A 81 7.566 6.153 -5.144 1.00 0.00 O ATOM 0 H ASP A 81 9.849 5.303 -7.344 1.00 0.00 H new ATOM 0 HA ASP A 81 10.664 7.960 -6.802 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.008 5.643 -4.943 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.166 7.315 -4.442 1.00 0.00 H new ATOM 1309 N HIS A 82 12.719 5.547 -5.882 1.00 0.00 N ATOM 1310 CA HIS A 82 14.099 5.231 -5.501 1.00 0.00 C ATOM 1311 C HIS A 82 14.456 5.778 -4.111 1.00 0.00 C ATOM 1312 O HIS A 82 15.630 5.915 -3.768 1.00 0.00 O ATOM 1313 CB HIS A 82 15.070 5.777 -6.561 1.00 0.00 C ATOM 1314 CG HIS A 82 16.369 5.033 -6.651 1.00 0.00 C ATOM 1315 ND1 HIS A 82 16.567 3.954 -7.485 1.00 0.00 N ATOM 1316 CD2 HIS A 82 17.546 5.233 -6.016 1.00 0.00 C ATOM 1317 CE1 HIS A 82 17.809 3.526 -7.359 1.00 0.00 C ATOM 1318 NE2 HIS A 82 18.425 4.284 -6.474 1.00 0.00 N ATOM 0 H HIS A 82 12.133 4.725 -6.028 1.00 0.00 H new ATOM 0 HA HIS A 82 14.190 4.146 -5.449 1.00 0.00 H new ATOM 0 HB2 HIS A 82 14.580 5.748 -7.534 1.00 0.00 H new ATOM 0 HB3 HIS A 82 15.279 6.824 -6.340 1.00 0.00 H new ATOM 0 HD2 HIS A 82 17.756 5.998 -5.283 1.00 0.00 H new ATOM 0 HE1 HIS A 82 18.247 2.695 -7.891 1.00 0.00 H new ATOM 0 HE2 HIS A 82 19.396 4.182 -6.178 1.00 0.00 H new ATOM 1327 N VAL A 83 13.446 6.070 -3.301 1.00 0.00 N ATOM 1328 CA VAL A 83 13.685 6.589 -1.958 1.00 0.00 C ATOM 1329 C VAL A 83 13.518 5.494 -0.913 1.00 0.00 C ATOM 1330 O VAL A 83 13.334 5.775 0.273 1.00 0.00 O ATOM 1331 CB VAL A 83 12.757 7.770 -1.603 1.00 0.00 C ATOM 1332 CG1 VAL A 83 13.178 9.023 -2.344 1.00 0.00 C ATOM 1333 CG2 VAL A 83 11.308 7.436 -1.904 1.00 0.00 C ATOM 0 H VAL A 83 12.462 5.958 -3.546 1.00 0.00 H new ATOM 0 HA VAL A 83 14.713 6.953 -1.953 1.00 0.00 H new ATOM 0 HB VAL A 83 12.846 7.955 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.511 9.844 -2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 83 14.200 9.283 -2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 83 13.126 8.845 -3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 83 10.677 8.286 -1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 83 11.199 7.214 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.006 6.568 -1.319 1.00 0.00 H new ATOM 1343 N LEU A 84 13.581 4.247 -1.357 1.00 0.00 N ATOM 1344 CA LEU A 84 13.449 3.116 -0.459 1.00 0.00 C ATOM 1345 C LEU A 84 14.826 2.678 0.020 1.00 0.00 C ATOM 1346 O LEU A 84 15.741 2.493 -0.778 1.00 0.00 O ATOM 1347 CB LEU A 84 12.725 1.954 -1.146 1.00 0.00 C ATOM 1348 CG LEU A 84 12.392 0.766 -0.241 1.00 0.00 C ATOM 1349 CD1 LEU A 84 10.917 0.413 -0.347 1.00 0.00 C ATOM 1350 CD2 LEU A 84 13.259 -0.434 -0.594 1.00 0.00 C ATOM 0 H LEU A 84 13.723 3.996 -2.335 1.00 0.00 H new ATOM 0 HA LEU A 84 12.852 3.420 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.799 2.330 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 84 13.343 1.599 -1.971 1.00 0.00 H new ATOM 0 HG LEU A 84 12.603 1.048 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.698 -0.434 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.315 1.269 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.679 0.150 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 84 13.008 -1.269 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.081 -0.719 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.310 -0.175 -0.464 1.00 0.00 H new ATOM 1362 N ILE A 85 14.967 2.524 1.322 1.00 0.00 N ATOM 1363 CA ILE A 85 16.225 2.119 1.920 1.00 0.00 C ATOM 1364 C ILE A 85 16.237 0.614 2.154 1.00 0.00 C ATOM 1365 O ILE A 85 15.271 0.058 2.672 1.00 0.00 O ATOM 1366 CB ILE A 85 16.458 2.837 3.264 1.00 0.00 C ATOM 1367 CG1 ILE A 85 16.175 4.333 3.122 1.00 0.00 C ATOM 1368 CG2 ILE A 85 17.880 2.606 3.756 1.00 0.00 C ATOM 1369 CD1 ILE A 85 15.869 5.017 4.436 1.00 0.00 C ATOM 0 H ILE A 85 14.215 2.676 1.994 1.00 0.00 H new ATOM 0 HA ILE A 85 17.023 2.393 1.229 1.00 0.00 H new ATOM 0 HB ILE A 85 15.771 2.422 4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 85 17.038 4.816 2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 85 15.333 4.473 2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 85 18.025 3.121 4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 85 18.049 1.538 3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 85 18.586 2.994 3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 85 15.679 6.076 4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 85 14.988 4.560 4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 85 16.719 4.909 5.109 1.00 0.00 H new ATOM 1381 N GLU A 86 17.313 -0.040 1.755 1.00 0.00 N ATOM 1382 CA GLU A 86 17.440 -1.475 1.947 1.00 0.00 C ATOM 1383 C GLU A 86 18.857 -1.830 2.381 1.00 0.00 C ATOM 1384 O GLU A 86 19.837 -1.414 1.761 1.00 0.00 O ATOM 1385 CB GLU A 86 17.063 -2.242 0.673 1.00 0.00 C ATOM 1386 CG GLU A 86 17.771 -1.751 -0.577 1.00 0.00 C ATOM 1387 CD GLU A 86 17.708 -2.751 -1.709 1.00 0.00 C ATOM 1388 OE1 GLU A 86 18.449 -3.756 -1.662 1.00 0.00 O ATOM 1389 OE2 GLU A 86 16.924 -2.533 -2.658 1.00 0.00 O ATOM 0 H GLU A 86 18.111 0.399 1.296 1.00 0.00 H new ATOM 0 HA GLU A 86 16.747 -1.771 2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.292 -3.298 0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.986 -2.167 0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.321 -0.812 -0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.814 -1.540 -0.341 1.00 0.00 H new ATOM 1672 N TYR A 107 15.054 -5.785 4.792 1.00 0.00 N ATOM 1673 CA TYR A 107 14.111 -4.826 5.353 1.00 0.00 C ATOM 1674 C TYR A 107 13.938 -3.631 4.424 1.00 0.00 C ATOM 1675 O TYR A 107 14.918 -3.000 4.025 1.00 0.00 O ATOM 1676 CB TYR A 107 14.602 -4.349 6.723 1.00 0.00 C ATOM 1677 CG TYR A 107 14.517 -5.398 7.813 1.00 0.00 C ATOM 1678 CD1 TYR A 107 15.511 -6.353 7.973 1.00 0.00 C ATOM 1679 CD2 TYR A 107 13.444 -5.423 8.693 1.00 0.00 C ATOM 1680 CE1 TYR A 107 15.433 -7.304 8.976 1.00 0.00 C ATOM 1681 CE2 TYR A 107 13.360 -6.366 9.696 1.00 0.00 C ATOM 1682 CZ TYR A 107 14.356 -7.302 9.834 1.00 0.00 C ATOM 1683 OH TYR A 107 14.267 -8.243 10.834 1.00 0.00 O ATOM 0 HA TYR A 107 13.146 -5.320 5.466 1.00 0.00 H new ATOM 0 HB2 TYR A 107 15.637 -4.020 6.631 1.00 0.00 H new ATOM 0 HB3 TYR A 107 14.017 -3.480 7.024 1.00 0.00 H new ATOM 0 HD1 TYR A 107 16.359 -6.354 7.304 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.659 -4.689 8.590 1.00 0.00 H new ATOM 0 HE1 TYR A 107 16.213 -8.043 9.085 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.516 -6.369 10.369 1.00 0.00 H new ATOM 0 HH TYR A 107 13.445 -8.097 11.348 1.00 0.00 H new ATOM 1693 N LEU A 108 12.690 -3.328 4.081 1.00 0.00 N ATOM 1694 CA LEU A 108 12.390 -2.204 3.198 1.00 0.00 C ATOM 1695 C LEU A 108 12.039 -0.969 4.000 1.00 0.00 C ATOM 1696 O LEU A 108 11.058 -0.947 4.738 1.00 0.00 O ATOM 1697 CB LEU A 108 11.231 -2.528 2.257 1.00 0.00 C ATOM 1698 CG LEU A 108 11.468 -3.686 1.296 1.00 0.00 C ATOM 1699 CD1 LEU A 108 12.927 -3.741 0.865 1.00 0.00 C ATOM 1700 CD2 LEU A 108 11.035 -4.994 1.934 1.00 0.00 C ATOM 0 H LEU A 108 11.870 -3.844 4.400 1.00 0.00 H new ATOM 0 HA LEU A 108 13.286 -2.015 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.350 -2.753 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.000 -1.637 1.674 1.00 0.00 H new ATOM 0 HG LEU A 108 10.865 -3.526 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.073 -4.576 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 108 13.194 -2.810 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.560 -3.877 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 108 11.209 -5.814 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.610 -5.163 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 108 9.974 -4.946 2.179 1.00 0.00 H new ATOM 1712 N VAL A 109 12.814 0.071 3.817 1.00 0.00 N ATOM 1713 CA VAL A 109 12.602 1.309 4.538 1.00 0.00 C ATOM 1714 C VAL A 109 12.290 2.437 3.561 1.00 0.00 C ATOM 1715 O VAL A 109 12.565 2.320 2.377 1.00 0.00 O ATOM 1716 CB VAL A 109 13.841 1.688 5.380 1.00 0.00 C ATOM 1717 CG1 VAL A 109 13.451 2.592 6.532 1.00 0.00 C ATOM 1718 CG2 VAL A 109 14.554 0.445 5.896 1.00 0.00 C ATOM 0 H VAL A 109 13.603 0.088 3.171 1.00 0.00 H new ATOM 0 HA VAL A 109 11.758 1.161 5.212 1.00 0.00 H new ATOM 0 HB VAL A 109 14.531 2.230 4.733 1.00 0.00 H new ATOM 0 HG11 VAL A 109 14.338 2.846 7.111 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.999 3.504 6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.735 2.077 7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.422 0.742 6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.872 -0.133 6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 109 14.879 -0.164 5.053 1.00 0.00 H new ATOM 1728 N VAL A 110 11.692 3.512 4.044 1.00 0.00 N ATOM 1729 CA VAL A 110 11.375 4.638 3.182 1.00 0.00 C ATOM 1730 C VAL A 110 11.910 5.934 3.783 1.00 0.00 C ATOM 1731 O VAL A 110 12.008 6.064 5.006 1.00 0.00 O ATOM 1732 CB VAL A 110 9.854 4.749 2.920 1.00 0.00 C ATOM 1733 CG1 VAL A 110 9.095 5.071 4.201 1.00 0.00 C ATOM 1734 CG2 VAL A 110 9.557 5.777 1.834 1.00 0.00 C ATOM 0 H VAL A 110 11.418 3.629 5.019 1.00 0.00 H new ATOM 0 HA VAL A 110 11.861 4.466 2.222 1.00 0.00 H new ATOM 0 HB VAL A 110 9.508 3.778 2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.029 5.143 3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.264 4.281 4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.448 6.020 4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 110 8.481 5.834 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 110 9.929 6.753 2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 110 10.049 5.480 0.908 1.00 0.00 H new ATOM 1744 N ASN A 111 12.285 6.869 2.923 1.00 0.00 N ATOM 1745 CA ASN A 111 12.799 8.155 3.370 1.00 0.00 C ATOM 1746 C ASN A 111 11.650 9.059 3.799 1.00 0.00 C ATOM 1747 O ASN A 111 10.564 9.006 3.220 1.00 0.00 O ATOM 1748 CB ASN A 111 13.610 8.826 2.259 1.00 0.00 C ATOM 1749 CG ASN A 111 15.056 8.368 2.228 1.00 0.00 C ATOM 1750 OD1 ASN A 111 15.923 8.965 2.869 1.00 0.00 O ATOM 1751 ND2 ASN A 111 15.330 7.310 1.486 1.00 0.00 N ATOM 0 H ASN A 111 12.243 6.761 1.910 1.00 0.00 H new ATOM 0 HA ASN A 111 13.455 7.987 4.224 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.145 8.612 1.296 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.579 9.907 2.395 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.287 6.961 1.429 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.585 6.842 0.970 1.00 0.00 H new ATOM 1758 N PRO A 112 11.876 9.907 4.817 1.00 0.00 N ATOM 1759 CA PRO A 112 10.851 10.822 5.331 1.00 0.00 C ATOM 1760 C PRO A 112 10.396 11.847 4.295 1.00 0.00 C ATOM 1761 O PRO A 112 9.299 12.404 4.395 1.00 0.00 O ATOM 1762 CB PRO A 112 11.538 11.522 6.508 1.00 0.00 C ATOM 1763 CG PRO A 112 12.999 11.347 6.267 1.00 0.00 C ATOM 1764 CD PRO A 112 13.146 10.032 5.558 1.00 0.00 C ATOM 0 HA PRO A 112 9.945 10.284 5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.269 12.578 6.550 1.00 0.00 H new ATOM 0 HB3 PRO A 112 11.240 11.079 7.458 1.00 0.00 H new ATOM 0 HG2 PRO A 112 13.395 12.163 5.662 1.00 0.00 H new ATOM 0 HG3 PRO A 112 13.552 11.348 7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.006 10.029 4.888 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.286 9.209 6.259 1.00 0.00 H new ATOM 1772 N ASN A 113 11.229 12.093 3.298 1.00 0.00 N ATOM 1773 CA ASN A 113 10.899 13.055 2.262 1.00 0.00 C ATOM 1774 C ASN A 113 10.479 12.342 0.987 1.00 0.00 C ATOM 1775 O ASN A 113 11.277 12.141 0.072 1.00 0.00 O ATOM 1776 CB ASN A 113 12.076 13.987 1.988 1.00 0.00 C ATOM 1777 CG ASN A 113 11.661 15.219 1.210 1.00 0.00 C ATOM 1778 OD1 ASN A 113 11.737 15.251 -0.017 1.00 0.00 O ATOM 1779 ND2 ASN A 113 11.211 16.242 1.919 1.00 0.00 N ATOM 0 H ASN A 113 12.136 11.641 3.185 1.00 0.00 H new ATOM 0 HA ASN A 113 10.063 13.658 2.615 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.525 14.291 2.934 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.842 13.448 1.430 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.912 17.096 1.449 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.163 16.176 2.936 1.00 0.00 H new ATOM 1786 N TYR A 114 9.221 11.941 0.949 1.00 0.00 N ATOM 1787 CA TYR A 114 8.671 11.252 -0.205 1.00 0.00 C ATOM 1788 C TYR A 114 8.300 12.258 -1.292 1.00 0.00 C ATOM 1789 O TYR A 114 7.799 13.347 -0.997 1.00 0.00 O ATOM 1790 CB TYR A 114 7.439 10.435 0.206 1.00 0.00 C ATOM 1791 CG TYR A 114 6.883 9.565 -0.898 1.00 0.00 C ATOM 1792 CD1 TYR A 114 7.609 8.487 -1.381 1.00 0.00 C ATOM 1793 CD2 TYR A 114 5.637 9.822 -1.460 1.00 0.00 C ATOM 1794 CE1 TYR A 114 7.115 7.690 -2.395 1.00 0.00 C ATOM 1795 CE2 TYR A 114 5.134 9.027 -2.474 1.00 0.00 C ATOM 1796 CZ TYR A 114 5.878 7.964 -2.938 1.00 0.00 C ATOM 1797 OH TYR A 114 5.387 7.175 -3.954 1.00 0.00 O ATOM 0 H TYR A 114 8.557 12.082 1.710 1.00 0.00 H new ATOM 0 HA TYR A 114 9.425 10.573 -0.601 1.00 0.00 H new ATOM 0 HB2 TYR A 114 7.701 9.804 1.055 1.00 0.00 H new ATOM 0 HB3 TYR A 114 6.659 11.117 0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 114 8.578 8.267 -0.957 1.00 0.00 H new ATOM 0 HD2 TYR A 114 5.053 10.656 -1.099 1.00 0.00 H new ATOM 0 HE1 TYR A 114 7.695 6.856 -2.761 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.164 9.238 -2.899 1.00 0.00 H new ATOM 0 HH TYR A 114 6.113 6.946 -4.571 1.00 0.00 H new ATOM 1807 N LEU A 115 8.558 11.893 -2.539 1.00 0.00 N ATOM 1808 CA LEU A 115 8.252 12.754 -3.673 1.00 0.00 C ATOM 1809 C LEU A 115 7.200 12.107 -4.565 1.00 0.00 C ATOM 1810 O LEU A 115 6.770 10.984 -4.308 1.00 0.00 O ATOM 1811 CB LEU A 115 9.513 13.103 -4.500 1.00 0.00 C ATOM 1812 CG LEU A 115 10.610 12.028 -4.657 1.00 0.00 C ATOM 1813 CD1 LEU A 115 11.460 11.935 -3.401 1.00 0.00 C ATOM 1814 CD2 LEU A 115 10.029 10.666 -5.016 1.00 0.00 C ATOM 0 H LEU A 115 8.981 11.000 -2.793 1.00 0.00 H new ATOM 0 HA LEU A 115 7.857 13.687 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.185 13.391 -5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.973 13.983 -4.049 1.00 0.00 H new ATOM 0 HG LEU A 115 11.247 12.338 -5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 115 12.226 11.171 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 115 11.936 12.897 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.828 11.670 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.837 9.941 -5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.347 10.343 -4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.487 10.739 -5.959 1.00 0.00 H new ATOM 2020 N LEU B 390 -5.063 -9.000 -1.846 1.00 0.00 N ATOM 2021 CA LEU B 390 -6.418 -9.393 -2.209 1.00 0.00 C ATOM 2022 C LEU B 390 -6.902 -10.540 -1.328 1.00 0.00 C ATOM 2023 O LEU B 390 -8.063 -10.940 -1.394 1.00 0.00 O ATOM 2024 CB LEU B 390 -6.482 -9.777 -3.690 1.00 0.00 C ATOM 2025 CG LEU B 390 -7.520 -9.013 -4.520 1.00 0.00 C ATOM 2026 CD1 LEU B 390 -7.306 -7.509 -4.413 1.00 0.00 C ATOM 2027 CD2 LEU B 390 -7.465 -9.448 -5.975 1.00 0.00 C ATOM 0 HA LEU B 390 -7.080 -8.543 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU B 390 -5.499 -9.618 -4.133 1.00 0.00 H new ATOM 0 HB3 LEU B 390 -6.696 -10.843 -3.763 1.00 0.00 H new ATOM 0 HG LEU B 390 -8.507 -9.248 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU B 390 -8.056 -6.991 -5.011 1.00 0.00 H new ATOM 0 HD12 LEU B 390 -7.398 -7.202 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU B 390 -6.311 -7.256 -4.780 1.00 0.00 H new ATOM 0 HD21 LEU B 390 -8.209 -8.895 -6.548 1.00 0.00 H new ATOM 0 HD22 LEU B 390 -6.473 -9.246 -6.378 1.00 0.00 H new ATOM 0 HD23 LEU B 390 -7.674 -10.516 -6.044 1.00 0.00 H new ATOM 2039 N GLU B 391 -6.004 -11.064 -0.498 1.00 0.00 N ATOM 2040 CA GLU B 391 -6.329 -12.144 0.425 1.00 0.00 C ATOM 2041 C GLU B 391 -7.389 -11.689 1.425 1.00 0.00 C ATOM 2042 O GLU B 391 -8.010 -12.499 2.099 1.00 0.00 O ATOM 2043 CB GLU B 391 -5.077 -12.602 1.175 1.00 0.00 C ATOM 2044 CG GLU B 391 -4.098 -13.394 0.321 1.00 0.00 C ATOM 2045 CD GLU B 391 -3.039 -14.092 1.152 1.00 0.00 C ATOM 2046 OE1 GLU B 391 -3.409 -14.801 2.114 1.00 0.00 O ATOM 2047 OE2 GLU B 391 -1.832 -13.937 0.855 1.00 0.00 O ATOM 0 H GLU B 391 -5.034 -10.752 -0.447 1.00 0.00 H new ATOM 0 HA GLU B 391 -6.721 -12.980 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU B 391 -4.567 -11.727 1.577 1.00 0.00 H new ATOM 0 HB3 GLU B 391 -5.379 -13.214 2.025 1.00 0.00 H new ATOM 0 HG2 GLU B 391 -4.645 -14.135 -0.262 1.00 0.00 H new ATOM 0 HG3 GLU B 391 -3.615 -12.723 -0.389 1.00 0.00 H new ATOM 2054 N ARG B 392 -7.584 -10.384 1.526 1.00 0.00 N ATOM 2055 CA ARG B 392 -8.582 -9.836 2.427 1.00 0.00 C ATOM 2056 C ARG B 392 -9.958 -9.837 1.755 1.00 0.00 C ATOM 2057 O ARG B 392 -10.993 -9.867 2.418 1.00 0.00 O ATOM 2058 CB ARG B 392 -8.193 -8.416 2.845 1.00 0.00 C ATOM 2059 CG ARG B 392 -9.224 -7.735 3.727 1.00 0.00 C ATOM 2060 CD ARG B 392 -9.380 -8.451 5.062 1.00 0.00 C ATOM 2061 NE ARG B 392 -10.309 -7.760 5.953 1.00 0.00 N ATOM 2062 CZ ARG B 392 -10.973 -8.354 6.946 1.00 0.00 C ATOM 2063 NH1 ARG B 392 -10.808 -9.648 7.192 1.00 0.00 N ATOM 2064 NH2 ARG B 392 -11.802 -7.648 7.703 1.00 0.00 N ATOM 0 H ARG B 392 -7.064 -9.686 0.995 1.00 0.00 H new ATOM 0 HA ARG B 392 -8.631 -10.460 3.319 1.00 0.00 H new ATOM 0 HB2 ARG B 392 -7.241 -8.451 3.375 1.00 0.00 H new ATOM 0 HB3 ARG B 392 -8.038 -7.813 1.950 1.00 0.00 H new ATOM 0 HG2 ARG B 392 -8.929 -6.700 3.901 1.00 0.00 H new ATOM 0 HG3 ARG B 392 -10.185 -7.710 3.212 1.00 0.00 H new ATOM 0 HD2 ARG B 392 -9.734 -9.467 4.888 1.00 0.00 H new ATOM 0 HD3 ARG B 392 -8.406 -8.531 5.546 1.00 0.00 H new ATOM 0 HE ARG B 392 -10.459 -6.762 5.807 1.00 0.00 H new ATOM 0 HH11 ARG B 392 -10.168 -10.199 6.619 1.00 0.00 H new ATOM 0 HH12 ARG B 392 -11.321 -10.092 7.954 1.00 0.00 H new ATOM 0 HH21 ARG B 392 -11.931 -6.652 7.526 1.00 0.00 H new ATOM 0 HH22 ARG B 392 -12.310 -8.101 8.462 1.00 0.00 H new ATOM 2078 N ILE B 393 -9.955 -9.832 0.429 1.00 0.00 N ATOM 2079 CA ILE B 393 -11.191 -9.819 -0.349 1.00 0.00 C ATOM 2080 C ILE B 393 -12.026 -11.068 -0.088 1.00 0.00 C ATOM 2081 O ILE B 393 -13.251 -11.005 -0.086 1.00 0.00 O ATOM 2082 CB ILE B 393 -10.916 -9.679 -1.866 1.00 0.00 C ATOM 2083 CG1 ILE B 393 -10.289 -8.307 -2.151 1.00 0.00 C ATOM 2084 CG2 ILE B 393 -12.197 -9.875 -2.674 1.00 0.00 C ATOM 2085 CD1 ILE B 393 -10.653 -7.720 -3.498 1.00 0.00 C ATOM 0 H ILE B 393 -9.105 -9.837 -0.136 1.00 0.00 H new ATOM 0 HA ILE B 393 -11.755 -8.946 -0.022 1.00 0.00 H new ATOM 0 HB ILE B 393 -10.216 -10.456 -2.171 1.00 0.00 H new ATOM 0 HG12 ILE B 393 -10.597 -7.611 -1.370 1.00 0.00 H new ATOM 0 HG13 ILE B 393 -9.204 -8.397 -2.089 1.00 0.00 H new ATOM 0 HG21 ILE B 393 -11.976 -9.772 -3.736 1.00 0.00 H new ATOM 0 HG22 ILE B 393 -12.600 -10.870 -2.482 1.00 0.00 H new ATOM 0 HG23 ILE B 393 -12.931 -9.124 -2.381 1.00 0.00 H new ATOM 0 HD11 ILE B 393 -10.167 -6.751 -3.616 1.00 0.00 H new ATOM 0 HD12 ILE B 393 -10.320 -8.392 -4.289 1.00 0.00 H new ATOM 0 HD13 ILE B 393 -11.734 -7.594 -3.560 1.00 0.00 H new ATOM 2097 N ARG B 394 -11.371 -12.194 0.165 1.00 0.00 N ATOM 2098 CA ARG B 394 -12.092 -13.434 0.434 1.00 0.00 C ATOM 2099 C ARG B 394 -12.942 -13.291 1.697 1.00 0.00 C ATOM 2100 O ARG B 394 -13.932 -13.998 1.876 1.00 0.00 O ATOM 2101 CB ARG B 394 -11.129 -14.618 0.545 1.00 0.00 C ATOM 2102 CG ARG B 394 -10.080 -14.467 1.626 1.00 0.00 C ATOM 2103 CD ARG B 394 -9.083 -15.608 1.580 1.00 0.00 C ATOM 2104 NE ARG B 394 -8.176 -15.491 0.441 1.00 0.00 N ATOM 2105 CZ ARG B 394 -7.062 -16.202 0.309 1.00 0.00 C ATOM 2106 NH1 ARG B 394 -6.726 -17.086 1.242 1.00 0.00 N ATOM 2107 NH2 ARG B 394 -6.281 -16.025 -0.750 1.00 0.00 N ATOM 0 H ARG B 394 -10.355 -12.276 0.190 1.00 0.00 H new ATOM 0 HA ARG B 394 -12.759 -13.633 -0.405 1.00 0.00 H new ATOM 0 HB2 ARG B 394 -11.705 -15.523 0.737 1.00 0.00 H new ATOM 0 HB3 ARG B 394 -10.629 -14.756 -0.414 1.00 0.00 H new ATOM 0 HG2 ARG B 394 -9.558 -13.518 1.501 1.00 0.00 H new ATOM 0 HG3 ARG B 394 -10.562 -14.440 2.603 1.00 0.00 H new ATOM 0 HD2 ARG B 394 -8.505 -15.623 2.504 1.00 0.00 H new ATOM 0 HD3 ARG B 394 -9.618 -16.556 1.523 1.00 0.00 H new ATOM 0 HE ARG B 394 -8.412 -14.825 -0.295 1.00 0.00 H new ATOM 0 HH11 ARG B 394 -7.323 -17.218 2.058 1.00 0.00 H new ATOM 0 HH12 ARG B 394 -5.871 -17.633 1.142 1.00 0.00 H new ATOM 0 HH21 ARG B 394 -6.536 -15.342 -1.464 1.00 0.00 H new ATOM 0 HH22 ARG B 394 -5.426 -16.572 -0.850 1.00 0.00 H new ATOM 2121 N ALA B 395 -12.550 -12.363 2.565 1.00 0.00 N ATOM 2122 CA ALA B 395 -13.295 -12.091 3.782 1.00 0.00 C ATOM 2123 C ALA B 395 -14.412 -11.107 3.460 1.00 0.00 C ATOM 2124 O ALA B 395 -15.491 -11.141 4.054 1.00 0.00 O ATOM 2125 CB ALA B 395 -12.381 -11.540 4.865 1.00 0.00 C ATOM 0 H ALA B 395 -11.717 -11.787 2.444 1.00 0.00 H new ATOM 0 HA ALA B 395 -13.725 -13.018 4.162 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -12.962 -11.344 5.766 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -11.600 -12.268 5.087 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -11.925 -10.613 4.519 1.00 0.00 H new ATOM 2131 N LYS B 396 -14.132 -10.236 2.493 1.00 0.00 N ATOM 2132 CA LYS B 396 -15.090 -9.244 2.024 1.00 0.00 C ATOM 2133 C LYS B 396 -16.251 -9.954 1.340 1.00 0.00 C ATOM 2134 O LYS B 396 -17.390 -9.479 1.358 1.00 0.00 O ATOM 2135 CB LYS B 396 -14.403 -8.262 1.055 1.00 0.00 C ATOM 2136 CG LYS B 396 -15.349 -7.537 0.099 1.00 0.00 C ATOM 2137 CD LYS B 396 -15.312 -8.144 -1.301 1.00 0.00 C ATOM 2138 CE LYS B 396 -16.571 -7.814 -2.089 1.00 0.00 C ATOM 2139 NZ LYS B 396 -16.764 -8.729 -3.245 1.00 0.00 N ATOM 0 H LYS B 396 -13.232 -10.200 2.013 1.00 0.00 H new ATOM 0 HA LYS B 396 -15.472 -8.673 2.870 1.00 0.00 H new ATOM 0 HB2 LYS B 396 -13.859 -7.519 1.638 1.00 0.00 H new ATOM 0 HB3 LYS B 396 -13.665 -8.809 0.468 1.00 0.00 H new ATOM 0 HG2 LYS B 396 -16.366 -7.583 0.489 1.00 0.00 H new ATOM 0 HG3 LYS B 396 -15.075 -6.483 0.046 1.00 0.00 H new ATOM 0 HD2 LYS B 396 -14.439 -7.771 -1.837 1.00 0.00 H new ATOM 0 HD3 LYS B 396 -15.202 -9.226 -1.226 1.00 0.00 H new ATOM 0 HE2 LYS B 396 -17.437 -7.876 -1.430 1.00 0.00 H new ATOM 0 HE3 LYS B 396 -16.515 -6.786 -2.447 1.00 0.00 H new ATOM 0 HZ1 LYS B 396 -17.564 -8.397 -3.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 396 -15.901 -8.742 -3.826 1.00 0.00 H new ATOM 0 HZ3 LYS B 396 -16.962 -9.689 -2.898 1.00 0.00 H new