USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.031) USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.531 X(o=-0.53,f=-0.067) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.2!) USER MOD Single : A 27 MET CE :methyl -155:sc= -1.79 (180deg=-3.39!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -120:sc= 0.0539 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 42:sc= 1.26 USER MOD Single : A 52 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0227) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -3.29! K(o=-3.3!,f=-2.5) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 70:sc= -2.72 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 9:sc= -1.63 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.0133 K(o=-0.013,f=-1.7!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 7.900 -0.382 5.102 1.00 0.00 N ATOM 143 CA LEU A 13 6.729 0.482 5.022 1.00 0.00 C ATOM 144 C LEU A 13 5.757 0.188 6.160 1.00 0.00 C ATOM 145 O LEU A 13 5.069 -0.833 6.154 1.00 0.00 O ATOM 146 CB LEU A 13 6.024 0.300 3.676 1.00 0.00 C ATOM 147 CG LEU A 13 6.765 0.885 2.472 1.00 0.00 C ATOM 148 CD1 LEU A 13 7.603 -0.185 1.790 1.00 0.00 C ATOM 149 CD2 LEU A 13 5.781 1.501 1.486 1.00 0.00 C ATOM 0 HA LEU A 13 7.065 1.515 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.869 -0.765 3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.038 0.760 3.735 1.00 0.00 H new ATOM 0 HG LEU A 13 7.432 1.670 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.123 0.249 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.333 -0.581 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.955 -0.992 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.326 1.912 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.088 0.735 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.223 2.297 1.978 1.00 0.00 H new ATOM 161 N HIS A 14 5.705 1.090 7.135 1.00 0.00 N ATOM 162 CA HIS A 14 4.815 0.926 8.279 1.00 0.00 C ATOM 163 C HIS A 14 3.438 1.508 7.984 1.00 0.00 C ATOM 164 O HIS A 14 3.170 1.963 6.872 1.00 0.00 O ATOM 165 CB HIS A 14 5.411 1.601 9.516 1.00 0.00 C ATOM 166 CG HIS A 14 6.760 1.073 9.896 1.00 0.00 C ATOM 167 ND1 HIS A 14 7.046 0.509 11.120 1.00 0.00 N ATOM 168 CD2 HIS A 14 7.914 1.029 9.184 1.00 0.00 C ATOM 169 CE1 HIS A 14 8.338 0.150 11.114 1.00 0.00 C ATOM 170 NE2 HIS A 14 8.909 0.443 9.961 1.00 0.00 N ATOM 0 H HIS A 14 6.268 1.941 7.156 1.00 0.00 H new ATOM 0 HA HIS A 14 4.706 -0.141 8.472 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.488 2.673 9.333 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.729 1.469 10.356 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.040 1.391 8.174 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.845 -0.318 11.945 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.879 0.275 9.694 1.00 0.00 H new ATOM 178 N GLU A 15 2.565 1.490 8.986 1.00 0.00 N ATOM 179 CA GLU A 15 1.214 2.015 8.834 1.00 0.00 C ATOM 180 C GLU A 15 1.197 3.530 9.010 1.00 0.00 C ATOM 181 O GLU A 15 1.575 4.047 10.062 1.00 0.00 O ATOM 182 CB GLU A 15 0.272 1.361 9.846 1.00 0.00 C ATOM 183 CG GLU A 15 0.012 -0.111 9.570 1.00 0.00 C ATOM 184 CD GLU A 15 -0.858 -0.757 10.630 1.00 0.00 C ATOM 185 OE1 GLU A 15 -1.805 -0.096 11.105 1.00 0.00 O ATOM 186 OE2 GLU A 15 -0.593 -1.925 10.986 1.00 0.00 O ATOM 0 H GLU A 15 2.770 1.117 9.913 1.00 0.00 H new ATOM 0 HA GLU A 15 0.871 1.780 7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.695 1.466 10.845 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.678 1.896 9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.469 -0.215 8.597 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.963 -0.640 9.514 1.00 0.00 H new ATOM 193 N GLY A 16 0.756 4.236 7.974 1.00 0.00 N ATOM 194 CA GLY A 16 0.698 5.685 8.035 1.00 0.00 C ATOM 195 C GLY A 16 1.956 6.338 7.498 1.00 0.00 C ATOM 196 O GLY A 16 2.546 7.198 8.153 1.00 0.00 O ATOM 0 H GLY A 16 0.438 3.831 7.094 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.162 6.036 7.464 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.543 5.996 9.068 1.00 0.00 H new ATOM 200 N SER A 17 2.367 5.930 6.301 1.00 0.00 N ATOM 201 CA SER A 17 3.563 6.481 5.675 1.00 0.00 C ATOM 202 C SER A 17 3.227 7.125 4.334 1.00 0.00 C ATOM 203 O SER A 17 2.152 6.899 3.779 1.00 0.00 O ATOM 204 CB SER A 17 4.613 5.385 5.478 1.00 0.00 C ATOM 205 OG SER A 17 5.488 5.311 6.590 1.00 0.00 O ATOM 0 H SER A 17 1.889 5.220 5.746 1.00 0.00 H new ATOM 0 HA SER A 17 3.968 7.248 6.336 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.118 4.424 5.336 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.186 5.585 4.573 1.00 0.00 H new ATOM 0 HG SER A 17 6.148 4.602 6.440 1.00 0.00 H new ATOM 211 N GLN A 18 4.152 7.928 3.821 1.00 0.00 N ATOM 212 CA GLN A 18 3.954 8.605 2.545 1.00 0.00 C ATOM 213 C GLN A 18 4.821 7.981 1.457 1.00 0.00 C ATOM 214 O GLN A 18 6.047 7.954 1.565 1.00 0.00 O ATOM 215 CB GLN A 18 4.276 10.094 2.679 1.00 0.00 C ATOM 216 CG GLN A 18 3.086 10.940 3.100 1.00 0.00 C ATOM 217 CD GLN A 18 1.984 10.956 2.058 1.00 0.00 C ATOM 218 OE1 GLN A 18 2.041 11.714 1.090 1.00 0.00 O ATOM 219 NE2 GLN A 18 0.974 10.115 2.252 1.00 0.00 N ATOM 0 H GLN A 18 5.047 8.126 4.269 1.00 0.00 H new ATOM 0 HA GLN A 18 2.908 8.491 2.260 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.076 10.220 3.408 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.653 10.463 1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.687 10.557 4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.419 11.961 3.287 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.968 9.505 3.069 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.204 10.080 1.584 1.00 0.00 H new ATOM 228 N VAL A 19 4.176 7.481 0.407 1.00 0.00 N ATOM 229 CA VAL A 19 4.889 6.857 -0.701 1.00 0.00 C ATOM 230 C VAL A 19 4.415 7.412 -2.041 1.00 0.00 C ATOM 231 O VAL A 19 3.359 8.041 -2.125 1.00 0.00 O ATOM 232 CB VAL A 19 4.707 5.328 -0.700 1.00 0.00 C ATOM 233 CG1 VAL A 19 5.395 4.707 0.507 1.00 0.00 C ATOM 234 CG2 VAL A 19 3.229 4.966 -0.725 1.00 0.00 C ATOM 0 H VAL A 19 3.162 7.496 0.301 1.00 0.00 H new ATOM 0 HA VAL A 19 5.945 7.089 -0.566 1.00 0.00 H new ATOM 0 HB VAL A 19 5.172 4.926 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.255 3.626 0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.460 4.935 0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.963 5.114 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.120 3.881 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.738 5.381 0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.769 5.376 -1.624 1.00 0.00 H new ATOM 244 N LEU A 20 5.200 7.173 -3.086 1.00 0.00 N ATOM 245 CA LEU A 20 4.860 7.647 -4.423 1.00 0.00 C ATOM 246 C LEU A 20 4.725 6.479 -5.395 1.00 0.00 C ATOM 247 O LEU A 20 5.326 5.422 -5.198 1.00 0.00 O ATOM 248 CB LEU A 20 5.923 8.626 -4.926 1.00 0.00 C ATOM 249 CG LEU A 20 5.606 9.290 -6.268 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.433 10.247 -6.126 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.831 10.019 -6.801 1.00 0.00 C ATOM 0 H LEU A 20 6.076 6.654 -3.033 1.00 0.00 H new ATOM 0 HA LEU A 20 3.901 8.162 -4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.062 9.405 -4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.871 8.096 -5.015 1.00 0.00 H new ATOM 0 HG LEU A 20 5.329 8.514 -6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.222 10.710 -7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.554 9.698 -5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.680 11.020 -5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.590 10.486 -7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.137 10.786 -6.089 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.645 9.308 -6.940 1.00 0.00 H new ATOM 263 N LEU A 21 3.934 6.676 -6.444 1.00 0.00 N ATOM 264 CA LEU A 21 3.721 5.638 -7.446 1.00 0.00 C ATOM 265 C LEU A 21 4.592 5.878 -8.674 1.00 0.00 C ATOM 266 O LEU A 21 4.802 7.020 -9.085 1.00 0.00 O ATOM 267 CB LEU A 21 2.247 5.588 -7.853 1.00 0.00 C ATOM 268 CG LEU A 21 1.274 5.241 -6.725 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.137 5.674 -7.084 1.00 0.00 C ATOM 270 CD2 LEU A 21 1.318 3.750 -6.424 1.00 0.00 C ATOM 0 H LEU A 21 3.430 7.545 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 21 4.002 4.681 -7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.968 6.556 -8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.131 4.854 -8.651 1.00 0.00 H new ATOM 0 HG LEU A 21 1.579 5.781 -5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.814 5.419 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.156 6.751 -7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.454 5.163 -7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.620 3.521 -5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.039 3.190 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.327 3.470 -6.120 1.00 0.00 H new ATOM 282 N THR A 22 5.097 4.796 -9.257 1.00 0.00 N ATOM 283 CA THR A 22 5.945 4.889 -10.439 1.00 0.00 C ATOM 284 C THR A 22 5.142 4.623 -11.708 1.00 0.00 C ATOM 285 O THR A 22 5.680 4.143 -12.707 1.00 0.00 O ATOM 286 CB THR A 22 7.105 3.897 -10.340 1.00 0.00 C ATOM 287 OG1 THR A 22 6.669 2.669 -9.785 1.00 0.00 O ATOM 288 CG2 THR A 22 8.253 4.402 -9.492 1.00 0.00 C ATOM 0 H THR A 22 4.933 3.844 -8.930 1.00 0.00 H new ATOM 0 HA THR A 22 6.345 5.902 -10.489 1.00 0.00 H new ATOM 0 HB THR A 22 7.460 3.764 -11.362 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.425 2.048 -9.731 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.042 3.651 -9.463 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.645 5.324 -9.922 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.900 4.596 -8.479 1.00 0.00 H new ATOM 296 N SER A 23 3.852 4.940 -11.664 1.00 0.00 N ATOM 297 CA SER A 23 2.974 4.737 -12.810 1.00 0.00 C ATOM 298 C SER A 23 2.106 5.968 -13.051 1.00 0.00 C ATOM 299 O SER A 23 1.980 6.441 -14.180 1.00 0.00 O ATOM 300 CB SER A 23 2.089 3.508 -12.590 1.00 0.00 C ATOM 301 OG SER A 23 2.839 2.427 -12.066 1.00 0.00 O ATOM 0 H SER A 23 3.391 5.339 -10.846 1.00 0.00 H new ATOM 0 HA SER A 23 3.596 4.574 -13.690 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.278 3.758 -11.906 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.630 3.213 -13.534 1.00 0.00 H new ATOM 0 HG SER A 23 2.251 1.655 -11.933 1.00 0.00 H new ATOM 307 N SER A 24 1.512 6.484 -11.979 1.00 0.00 N ATOM 308 CA SER A 24 0.657 7.662 -12.070 1.00 0.00 C ATOM 309 C SER A 24 1.383 8.905 -11.559 1.00 0.00 C ATOM 310 O SER A 24 1.001 10.032 -11.877 1.00 0.00 O ATOM 311 CB SER A 24 -0.630 7.447 -11.274 1.00 0.00 C ATOM 312 OG SER A 24 -1.459 6.481 -11.896 1.00 0.00 O ATOM 0 H SER A 24 1.607 6.104 -11.037 1.00 0.00 H new ATOM 0 HA SER A 24 0.406 7.816 -13.119 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.386 7.124 -10.262 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.169 8.390 -11.186 1.00 0.00 H new ATOM 0 HG SER A 24 -2.275 6.360 -11.367 1.00 0.00 H new ATOM 318 N ASN A 25 2.431 8.696 -10.765 1.00 0.00 N ATOM 319 CA ASN A 25 3.208 9.799 -10.210 1.00 0.00 C ATOM 320 C ASN A 25 2.383 10.590 -9.199 1.00 0.00 C ATOM 321 O ASN A 25 2.426 11.819 -9.171 1.00 0.00 O ATOM 322 CB ASN A 25 3.699 10.724 -11.329 1.00 0.00 C ATOM 323 CG ASN A 25 5.191 10.985 -11.248 1.00 0.00 C ATOM 324 OD1 ASN A 25 5.962 10.124 -10.827 1.00 0.00 O ATOM 325 ND2 ASN A 25 5.604 12.181 -11.651 1.00 0.00 N ATOM 0 H ASN A 25 2.761 7.770 -10.492 1.00 0.00 H new ATOM 0 HA ASN A 25 4.072 9.379 -9.696 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.462 10.279 -12.295 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.163 11.672 -11.275 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.596 12.416 -11.618 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.929 12.865 -11.993 1.00 0.00 H new ATOM 332 N GLU A 26 1.635 9.873 -8.366 1.00 0.00 N ATOM 333 CA GLU A 26 0.801 10.504 -7.349 1.00 0.00 C ATOM 334 C GLU A 26 1.074 9.904 -5.974 1.00 0.00 C ATOM 335 O GLU A 26 1.209 8.689 -5.833 1.00 0.00 O ATOM 336 CB GLU A 26 -0.679 10.347 -7.704 1.00 0.00 C ATOM 337 CG GLU A 26 -1.139 11.271 -8.818 1.00 0.00 C ATOM 338 CD GLU A 26 -1.745 12.559 -8.296 1.00 0.00 C ATOM 339 OE1 GLU A 26 -2.652 12.483 -7.441 1.00 0.00 O ATOM 340 OE2 GLU A 26 -1.312 13.643 -8.740 1.00 0.00 O ATOM 0 H GLU A 26 1.589 8.854 -8.375 1.00 0.00 H new ATOM 0 HA GLU A 26 1.048 11.565 -7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.865 9.315 -8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.279 10.537 -6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.292 11.507 -9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.873 10.753 -9.435 1.00 0.00 H new ATOM 347 N MET A 27 1.153 10.764 -4.964 1.00 0.00 N ATOM 348 CA MET A 27 1.411 10.317 -3.599 1.00 0.00 C ATOM 349 C MET A 27 0.215 9.552 -3.042 1.00 0.00 C ATOM 350 O MET A 27 -0.904 9.682 -3.539 1.00 0.00 O ATOM 351 CB MET A 27 1.730 11.513 -2.702 1.00 0.00 C ATOM 352 CG MET A 27 2.711 12.495 -3.323 1.00 0.00 C ATOM 353 SD MET A 27 4.159 12.787 -2.288 1.00 0.00 S ATOM 354 CE MET A 27 5.283 11.545 -2.921 1.00 0.00 C ATOM 0 H MET A 27 1.042 11.773 -5.064 1.00 0.00 H new ATOM 0 HA MET A 27 2.270 9.647 -3.618 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.804 12.037 -2.467 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.139 11.150 -1.759 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.034 12.115 -4.292 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.203 13.442 -3.505 1.00 0.00 H new ATOM 0 HE1 MET A 27 6.010 11.285 -2.151 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.720 10.655 -3.204 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.804 11.937 -3.794 1.00 0.00 H new ATOM 364 N ALA A 28 0.458 8.755 -2.007 1.00 0.00 N ATOM 365 CA ALA A 28 -0.598 7.969 -1.381 1.00 0.00 C ATOM 366 C ALA A 28 -0.221 7.581 0.044 1.00 0.00 C ATOM 367 O ALA A 28 0.935 7.264 0.326 1.00 0.00 O ATOM 368 CB ALA A 28 -0.892 6.728 -2.209 1.00 0.00 C ATOM 0 H ALA A 28 1.378 8.636 -1.584 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.497 8.583 -1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.682 6.150 -1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.213 7.024 -3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.009 6.119 -2.284 1.00 0.00 H new ATOM 374 N THR A 29 -1.204 7.606 0.938 1.00 0.00 N ATOM 375 CA THR A 29 -0.975 7.256 2.335 1.00 0.00 C ATOM 376 C THR A 29 -1.139 5.758 2.553 1.00 0.00 C ATOM 377 O THR A 29 -2.100 5.151 2.081 1.00 0.00 O ATOM 378 CB THR A 29 -1.937 8.025 3.241 1.00 0.00 C ATOM 379 OG1 THR A 29 -2.088 9.361 2.792 1.00 0.00 O ATOM 380 CG2 THR A 29 -1.489 8.074 4.685 1.00 0.00 C ATOM 0 H THR A 29 -2.166 7.865 0.720 1.00 0.00 H new ATOM 0 HA THR A 29 0.048 7.532 2.589 1.00 0.00 H new ATOM 0 HB THR A 29 -2.880 7.481 3.189 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.708 9.837 3.383 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.216 8.634 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.410 7.060 5.076 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.517 8.564 4.748 1.00 0.00 H new ATOM 388 N VAL A 30 -0.191 5.167 3.273 1.00 0.00 N ATOM 389 CA VAL A 30 -0.227 3.740 3.552 1.00 0.00 C ATOM 390 C VAL A 30 -1.127 3.435 4.745 1.00 0.00 C ATOM 391 O VAL A 30 -0.941 3.983 5.831 1.00 0.00 O ATOM 392 CB VAL A 30 1.182 3.183 3.830 1.00 0.00 C ATOM 393 CG1 VAL A 30 1.149 1.665 3.922 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.158 3.638 2.756 1.00 0.00 C ATOM 0 H VAL A 30 0.610 5.656 3.673 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.630 3.256 2.663 1.00 0.00 H new ATOM 0 HB VAL A 30 1.524 3.574 4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.154 1.290 4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.484 1.364 4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.785 1.251 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.148 3.235 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.822 3.279 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.205 4.727 2.745 1.00 0.00 H new ATOM 404 N ARG A 31 -2.103 2.558 4.534 1.00 0.00 N ATOM 405 CA ARG A 31 -3.033 2.180 5.593 1.00 0.00 C ATOM 406 C ARG A 31 -2.811 0.735 6.023 1.00 0.00 C ATOM 407 O ARG A 31 -2.843 0.418 7.212 1.00 0.00 O ATOM 408 CB ARG A 31 -4.477 2.369 5.123 1.00 0.00 C ATOM 409 CG ARG A 31 -4.796 3.790 4.691 1.00 0.00 C ATOM 410 CD ARG A 31 -5.081 4.684 5.887 1.00 0.00 C ATOM 411 NE ARG A 31 -6.292 4.279 6.597 1.00 0.00 N ATOM 412 CZ ARG A 31 -6.955 5.066 7.441 1.00 0.00 C ATOM 413 NH1 ARG A 31 -6.531 6.301 7.681 1.00 0.00 N ATOM 414 NH2 ARG A 31 -8.047 4.619 8.045 1.00 0.00 N ATOM 0 H ARG A 31 -2.271 2.096 3.640 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.849 2.827 6.451 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.670 1.693 4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.153 2.083 5.929 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.959 4.196 4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.659 3.784 4.026 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.233 4.655 6.571 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.185 5.716 5.552 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.650 3.338 6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.693 6.652 7.217 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.044 6.899 8.329 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.379 3.672 7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.555 5.222 8.692 1.00 0.00 H new ATOM 428 N TYR A 32 -2.586 -0.140 5.047 1.00 0.00 N ATOM 429 CA TYR A 32 -2.359 -1.554 5.326 1.00 0.00 C ATOM 430 C TYR A 32 -1.135 -2.067 4.575 1.00 0.00 C ATOM 431 O TYR A 32 -0.768 -1.537 3.527 1.00 0.00 O ATOM 432 CB TYR A 32 -3.591 -2.375 4.939 1.00 0.00 C ATOM 433 CG TYR A 32 -3.897 -3.501 5.900 1.00 0.00 C ATOM 434 CD1 TYR A 32 -4.688 -3.287 7.021 1.00 0.00 C ATOM 435 CD2 TYR A 32 -3.396 -4.779 5.685 1.00 0.00 C ATOM 436 CE1 TYR A 32 -4.970 -4.313 7.903 1.00 0.00 C ATOM 437 CE2 TYR A 32 -3.674 -5.810 6.561 1.00 0.00 C ATOM 438 CZ TYR A 32 -4.462 -5.573 7.667 1.00 0.00 C ATOM 439 OH TYR A 32 -4.742 -6.599 8.542 1.00 0.00 O ATOM 0 H TYR A 32 -2.556 0.105 4.057 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.179 -1.664 6.395 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.455 -1.713 4.882 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.442 -2.790 3.942 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -5.090 -2.302 7.207 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.779 -4.969 4.819 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.585 -4.129 8.772 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.276 -6.798 6.380 1.00 0.00 H new ATOM 0 HH TYR A 32 -4.310 -7.422 8.231 1.00 0.00 H new ATOM 449 N VAL A 33 -0.506 -3.105 5.119 1.00 0.00 N ATOM 450 CA VAL A 33 0.676 -3.693 4.501 1.00 0.00 C ATOM 451 C VAL A 33 0.802 -5.170 4.853 1.00 0.00 C ATOM 452 O VAL A 33 0.571 -5.568 5.995 1.00 0.00 O ATOM 453 CB VAL A 33 1.961 -2.963 4.935 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.154 -3.455 4.129 1.00 0.00 C ATOM 455 CG2 VAL A 33 1.795 -1.458 4.790 1.00 0.00 C ATOM 0 H VAL A 33 -0.796 -3.556 5.987 1.00 0.00 H new ATOM 0 HA VAL A 33 0.554 -3.587 3.423 1.00 0.00 H new ATOM 0 HB VAL A 33 2.146 -3.186 5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.052 -2.928 4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.285 -4.525 4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.981 -3.265 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.713 -0.959 5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.584 -1.214 3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.969 -1.121 5.416 1.00 0.00 H new ATOM 465 N GLY A 34 1.169 -5.981 3.865 1.00 0.00 N ATOM 466 CA GLY A 34 1.319 -7.405 4.091 1.00 0.00 C ATOM 467 C GLY A 34 0.599 -8.237 3.045 1.00 0.00 C ATOM 468 O GLY A 34 0.369 -7.770 1.930 1.00 0.00 O ATOM 0 H GLY A 34 1.365 -5.676 2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.379 -7.661 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.933 -7.656 5.079 1.00 0.00 H new ATOM 472 N PRO A 35 0.224 -9.484 3.380 1.00 0.00 N ATOM 473 CA PRO A 35 -0.478 -10.373 2.450 1.00 0.00 C ATOM 474 C PRO A 35 -1.903 -9.908 2.170 1.00 0.00 C ATOM 475 O PRO A 35 -2.387 -8.958 2.785 1.00 0.00 O ATOM 476 CB PRO A 35 -0.488 -11.718 3.180 1.00 0.00 C ATOM 477 CG PRO A 35 -0.386 -11.366 4.624 1.00 0.00 C ATOM 478 CD PRO A 35 0.457 -10.123 4.689 1.00 0.00 C ATOM 0 HA PRO A 35 0.008 -10.407 1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.402 -12.275 2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.346 -12.345 2.866 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.372 -11.191 5.054 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.070 -12.177 5.192 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.155 -9.475 5.512 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.510 -10.359 4.839 1.00 0.00 H new ATOM 486 N THR A 36 -2.569 -10.583 1.239 1.00 0.00 N ATOM 487 CA THR A 36 -3.939 -10.238 0.878 1.00 0.00 C ATOM 488 C THR A 36 -4.777 -11.494 0.661 1.00 0.00 C ATOM 489 O THR A 36 -4.290 -12.612 0.821 1.00 0.00 O ATOM 490 CB THR A 36 -3.953 -9.375 -0.385 1.00 0.00 C ATOM 491 OG1 THR A 36 -3.441 -10.096 -1.491 1.00 0.00 O ATOM 492 CG2 THR A 36 -3.144 -8.104 -0.250 1.00 0.00 C ATOM 0 H THR A 36 -2.182 -11.372 0.721 1.00 0.00 H new ATOM 0 HA THR A 36 -4.374 -9.671 1.701 1.00 0.00 H new ATOM 0 HB THR A 36 -4.998 -9.106 -0.539 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.655 -9.632 -1.848 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.196 -7.539 -1.181 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.547 -7.501 0.564 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.105 -8.355 -0.036 1.00 0.00 H new ATOM 500 N ASP A 37 -6.040 -11.300 0.297 1.00 0.00 N ATOM 501 CA ASP A 37 -6.947 -12.417 0.057 1.00 0.00 C ATOM 502 C ASP A 37 -7.459 -12.406 -1.380 1.00 0.00 C ATOM 503 O ASP A 37 -8.582 -12.829 -1.652 1.00 0.00 O ATOM 504 CB ASP A 37 -8.126 -12.361 1.030 1.00 0.00 C ATOM 505 CG ASP A 37 -8.720 -13.730 1.299 1.00 0.00 C ATOM 506 OD1 ASP A 37 -7.961 -14.722 1.269 1.00 0.00 O ATOM 507 OD2 ASP A 37 -9.943 -13.810 1.540 1.00 0.00 O ATOM 0 H ASP A 37 -6.459 -10.380 0.162 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.393 -13.342 0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.796 -11.920 1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.898 -11.707 0.624 1.00 0.00 H new ATOM 512 N PHE A 38 -6.626 -11.920 -2.295 1.00 0.00 N ATOM 513 CA PHE A 38 -6.995 -11.854 -3.705 1.00 0.00 C ATOM 514 C PHE A 38 -5.766 -12.007 -4.596 1.00 0.00 C ATOM 515 O PHE A 38 -5.777 -12.773 -5.558 1.00 0.00 O ATOM 516 CB PHE A 38 -7.700 -10.531 -4.008 1.00 0.00 C ATOM 517 CG PHE A 38 -6.830 -9.325 -3.800 1.00 0.00 C ATOM 518 CD1 PHE A 38 -6.756 -8.713 -2.557 1.00 0.00 C ATOM 519 CD2 PHE A 38 -6.086 -8.801 -4.846 1.00 0.00 C ATOM 520 CE1 PHE A 38 -5.956 -7.603 -2.363 1.00 0.00 C ATOM 521 CE2 PHE A 38 -5.284 -7.692 -4.657 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.219 -7.091 -3.413 1.00 0.00 C ATOM 0 H PHE A 38 -5.692 -11.567 -2.086 1.00 0.00 H new ATOM 0 HA PHE A 38 -7.678 -12.677 -3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.049 -10.543 -5.041 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.583 -10.446 -3.374 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.330 -9.108 -1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.134 -9.265 -5.820 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.907 -7.136 -1.390 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.708 -7.295 -5.480 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.593 -6.223 -3.263 1.00 0.00 H new ATOM 532 N ALA A 39 -4.709 -11.272 -4.267 1.00 0.00 N ATOM 533 CA ALA A 39 -3.472 -11.326 -5.037 1.00 0.00 C ATOM 534 C ALA A 39 -2.498 -12.338 -4.443 1.00 0.00 C ATOM 535 O ALA A 39 -1.661 -12.897 -5.151 1.00 0.00 O ATOM 536 CB ALA A 39 -2.832 -9.947 -5.099 1.00 0.00 C ATOM 0 H ALA A 39 -4.684 -10.632 -3.473 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.715 -11.649 -6.049 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.909 -10.000 -5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.519 -9.248 -5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.609 -9.604 -4.089 1.00 0.00 H new ATOM 542 N SER A 40 -2.610 -12.567 -3.137 1.00 0.00 N ATOM 543 CA SER A 40 -1.738 -13.512 -2.447 1.00 0.00 C ATOM 544 C SER A 40 -0.287 -13.044 -2.494 1.00 0.00 C ATOM 545 O SER A 40 0.635 -13.855 -2.593 1.00 0.00 O ATOM 546 CB SER A 40 -1.860 -14.904 -3.072 1.00 0.00 C ATOM 547 OG SER A 40 -1.965 -15.904 -2.073 1.00 0.00 O ATOM 0 H SER A 40 -3.296 -12.111 -2.536 1.00 0.00 H new ATOM 0 HA SER A 40 -2.051 -13.563 -1.404 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.736 -14.940 -3.720 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.991 -15.102 -3.699 1.00 0.00 H new ATOM 0 HG SER A 40 -2.043 -16.784 -2.498 1.00 0.00 H new ATOM 553 N GLY A 41 -0.091 -11.732 -2.419 1.00 0.00 N ATOM 554 CA GLY A 41 1.250 -11.179 -2.453 1.00 0.00 C ATOM 555 C GLY A 41 1.430 -10.035 -1.472 1.00 0.00 C ATOM 556 O GLY A 41 0.623 -9.860 -0.560 1.00 0.00 O ATOM 0 H GLY A 41 -0.837 -11.042 -2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.970 -11.965 -2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.469 -10.827 -3.461 1.00 0.00 H new ATOM 560 N ILE A 42 2.489 -9.256 -1.662 1.00 0.00 N ATOM 561 CA ILE A 42 2.772 -8.125 -0.787 1.00 0.00 C ATOM 562 C ILE A 42 2.236 -6.825 -1.380 1.00 0.00 C ATOM 563 O ILE A 42 2.812 -6.276 -2.318 1.00 0.00 O ATOM 564 CB ILE A 42 4.284 -7.974 -0.534 1.00 0.00 C ATOM 565 CG1 ILE A 42 4.890 -9.313 -0.104 1.00 0.00 C ATOM 566 CG2 ILE A 42 4.542 -6.907 0.521 1.00 0.00 C ATOM 567 CD1 ILE A 42 6.153 -9.672 -0.856 1.00 0.00 C ATOM 0 H ILE A 42 3.165 -9.387 -2.414 1.00 0.00 H new ATOM 0 HA ILE A 42 2.271 -8.325 0.160 1.00 0.00 H new ATOM 0 HB ILE A 42 4.762 -7.662 -1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.109 -9.278 0.963 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.152 -10.101 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.615 -6.813 0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.143 -5.952 0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.053 -7.191 1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.528 -10.632 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.935 -9.740 -1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.907 -8.903 -0.688 1.00 0.00 H new ATOM 579 N TRP A 43 1.128 -6.341 -0.828 1.00 0.00 N ATOM 580 CA TRP A 43 0.514 -5.106 -1.304 1.00 0.00 C ATOM 581 C TRP A 43 0.320 -4.116 -0.159 1.00 0.00 C ATOM 582 O TRP A 43 0.445 -4.474 1.012 1.00 0.00 O ATOM 583 CB TRP A 43 -0.831 -5.404 -1.969 1.00 0.00 C ATOM 584 CG TRP A 43 -0.739 -6.418 -3.067 1.00 0.00 C ATOM 585 CD1 TRP A 43 -0.436 -7.743 -2.936 1.00 0.00 C ATOM 586 CD2 TRP A 43 -0.951 -6.190 -4.465 1.00 0.00 C ATOM 587 NE1 TRP A 43 -0.447 -8.353 -4.167 1.00 0.00 N ATOM 588 CE2 TRP A 43 -0.760 -7.420 -5.121 1.00 0.00 C ATOM 589 CE3 TRP A 43 -1.284 -5.065 -5.225 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -0.892 -7.556 -6.501 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -1.415 -5.201 -6.594 1.00 0.00 C ATOM 592 CH2 TRP A 43 -1.219 -6.439 -7.220 1.00 0.00 C ATOM 0 H TRP A 43 0.637 -6.784 -0.052 1.00 0.00 H new ATOM 0 HA TRP A 43 1.183 -4.657 -2.038 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.531 -5.760 -1.213 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.242 -4.478 -2.373 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.219 -8.239 -2.001 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.254 -9.339 -4.342 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.436 -4.107 -4.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.742 -8.509 -6.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.673 -4.339 -7.191 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.328 -6.513 -8.292 1.00 0.00 H new ATOM 603 N LEU A 44 0.011 -2.871 -0.507 1.00 0.00 N ATOM 604 CA LEU A 44 -0.203 -1.829 0.490 1.00 0.00 C ATOM 605 C LEU A 44 -1.534 -1.120 0.259 1.00 0.00 C ATOM 606 O LEU A 44 -1.764 -0.542 -0.803 1.00 0.00 O ATOM 607 CB LEU A 44 0.941 -0.814 0.453 1.00 0.00 C ATOM 608 CG LEU A 44 2.347 -1.422 0.413 1.00 0.00 C ATOM 609 CD1 LEU A 44 2.962 -1.258 -0.968 1.00 0.00 C ATOM 610 CD2 LEU A 44 3.235 -0.785 1.472 1.00 0.00 C ATOM 0 H LEU A 44 -0.097 -2.559 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.228 -2.301 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.812 -0.176 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.865 -0.171 1.330 1.00 0.00 H new ATOM 0 HG LEU A 44 2.266 -2.488 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.960 -1.696 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.338 -1.762 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.029 -0.198 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.229 -1.229 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.308 0.287 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.804 -0.956 2.459 1.00 0.00 H new ATOM 622 N GLY A 45 -2.406 -1.167 1.260 1.00 0.00 N ATOM 623 CA GLY A 45 -3.702 -0.524 1.146 1.00 0.00 C ATOM 624 C GLY A 45 -3.601 0.988 1.145 1.00 0.00 C ATOM 625 O GLY A 45 -4.018 1.646 2.099 1.00 0.00 O ATOM 0 H GLY A 45 -2.239 -1.639 2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.188 -0.853 0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.336 -0.842 1.974 1.00 0.00 H new ATOM 629 N LEU A 46 -3.043 1.542 0.072 1.00 0.00 N ATOM 630 CA LEU A 46 -2.886 2.986 -0.049 1.00 0.00 C ATOM 631 C LEU A 46 -4.242 3.685 -0.044 1.00 0.00 C ATOM 632 O LEU A 46 -5.261 3.088 -0.394 1.00 0.00 O ATOM 633 CB LEU A 46 -2.126 3.332 -1.331 1.00 0.00 C ATOM 634 CG LEU A 46 -0.703 2.774 -1.410 1.00 0.00 C ATOM 635 CD1 LEU A 46 -0.024 3.225 -2.693 1.00 0.00 C ATOM 636 CD2 LEU A 46 0.106 3.205 -0.196 1.00 0.00 C ATOM 0 H LEU A 46 -2.692 1.012 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.314 3.336 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.694 2.960 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.081 4.417 -1.427 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.759 1.685 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.987 2.819 -2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.593 2.866 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.021 4.314 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.115 2.799 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.154 4.293 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.371 2.832 0.710 1.00 0.00 H new ATOM 648 N GLU A 47 -4.248 4.954 0.353 1.00 0.00 N ATOM 649 CA GLU A 47 -5.478 5.734 0.403 1.00 0.00 C ATOM 650 C GLU A 47 -5.227 7.175 -0.029 1.00 0.00 C ATOM 651 O GLU A 47 -4.616 7.955 0.701 1.00 0.00 O ATOM 652 CB GLU A 47 -6.067 5.708 1.815 1.00 0.00 C ATOM 653 CG GLU A 47 -7.564 5.966 1.854 1.00 0.00 C ATOM 654 CD GLU A 47 -7.902 7.377 2.294 1.00 0.00 C ATOM 655 OE1 GLU A 47 -7.999 8.265 1.422 1.00 0.00 O ATOM 656 OE2 GLU A 47 -8.067 7.595 3.513 1.00 0.00 O ATOM 0 H GLU A 47 -3.414 5.463 0.645 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.191 5.285 -0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.862 4.738 2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.562 6.457 2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.985 5.787 0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.034 5.255 2.534 1.00 0.00 H new ATOM 663 N LEU A 48 -5.704 7.522 -1.221 1.00 0.00 N ATOM 664 CA LEU A 48 -5.531 8.870 -1.750 1.00 0.00 C ATOM 665 C LEU A 48 -6.632 9.797 -1.246 1.00 0.00 C ATOM 666 O LEU A 48 -7.690 9.342 -0.810 1.00 0.00 O ATOM 667 CB LEU A 48 -5.532 8.843 -3.280 1.00 0.00 C ATOM 668 CG LEU A 48 -4.684 7.736 -3.909 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.229 7.359 -5.277 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.231 8.173 -4.014 1.00 0.00 C ATOM 0 H LEU A 48 -6.213 6.889 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.572 9.251 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.560 8.733 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.174 9.806 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.733 6.857 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.613 6.570 -5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.254 7.004 -5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.211 8.232 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.642 7.373 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.164 9.066 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.844 8.393 -3.019 1.00 0.00 H new ATOM 682 N ARG A 49 -6.376 11.101 -1.309 1.00 0.00 N ATOM 683 CA ARG A 49 -7.347 12.091 -0.858 1.00 0.00 C ATOM 684 C ARG A 49 -8.140 12.651 -2.036 1.00 0.00 C ATOM 685 O ARG A 49 -8.470 13.836 -2.067 1.00 0.00 O ATOM 686 CB ARG A 49 -6.641 13.229 -0.117 1.00 0.00 C ATOM 687 CG ARG A 49 -7.476 13.838 0.998 1.00 0.00 C ATOM 688 CD ARG A 49 -6.701 14.902 1.759 1.00 0.00 C ATOM 689 NE ARG A 49 -7.521 16.079 2.041 1.00 0.00 N ATOM 690 CZ ARG A 49 -7.978 16.906 1.105 1.00 0.00 C ATOM 691 NH1 ARG A 49 -7.703 16.686 -0.175 1.00 0.00 N ATOM 692 NH2 ARG A 49 -8.715 17.953 1.448 1.00 0.00 N ATOM 0 H ARG A 49 -5.506 11.495 -1.667 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.041 11.598 -0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.707 12.854 0.303 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.379 14.009 -0.831 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.381 14.277 0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.792 13.054 1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.334 14.483 2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.827 15.199 1.179 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.757 16.278 3.013 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.139 15.880 -0.444 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.056 17.323 -0.889 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.932 18.124 2.430 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.065 18.587 0.730 1.00 0.00 H new ATOM 706 N SER A 50 -8.443 11.789 -3.001 1.00 0.00 N ATOM 707 CA SER A 50 -9.198 12.199 -4.180 1.00 0.00 C ATOM 708 C SER A 50 -9.618 10.987 -5.006 1.00 0.00 C ATOM 709 O SER A 50 -8.916 9.977 -5.046 1.00 0.00 O ATOM 710 CB SER A 50 -8.364 13.151 -5.039 1.00 0.00 C ATOM 711 OG SER A 50 -8.574 14.499 -4.657 1.00 0.00 O ATOM 0 H SER A 50 -8.178 10.804 -2.990 1.00 0.00 H new ATOM 0 HA SER A 50 -10.097 12.716 -3.844 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.307 12.903 -4.941 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.626 13.022 -6.089 1.00 0.00 H new ATOM 0 HG SER A 50 -8.602 14.561 -3.679 1.00 0.00 H new ATOM 717 N ALA A 51 -10.768 11.095 -5.664 1.00 0.00 N ATOM 718 CA ALA A 51 -11.281 10.009 -6.489 1.00 0.00 C ATOM 719 C ALA A 51 -10.388 9.775 -7.702 1.00 0.00 C ATOM 720 O ALA A 51 -10.509 10.461 -8.717 1.00 0.00 O ATOM 721 CB ALA A 51 -12.705 10.310 -6.930 1.00 0.00 C ATOM 0 H ALA A 51 -11.362 11.924 -5.641 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.283 9.098 -5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.076 9.491 -7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.342 10.422 -6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.719 11.234 -7.508 1.00 0.00 H new ATOM 727 N LYS A 52 -9.490 8.800 -7.590 1.00 0.00 N ATOM 728 CA LYS A 52 -8.575 8.476 -8.678 1.00 0.00 C ATOM 729 C LYS A 52 -7.973 7.087 -8.487 1.00 0.00 C ATOM 730 O LYS A 52 -6.812 6.852 -8.821 1.00 0.00 O ATOM 731 CB LYS A 52 -7.460 9.519 -8.761 1.00 0.00 C ATOM 732 CG LYS A 52 -7.804 10.711 -9.639 1.00 0.00 C ATOM 733 CD LYS A 52 -6.564 11.507 -10.009 1.00 0.00 C ATOM 734 CE LYS A 52 -5.971 11.034 -11.328 1.00 0.00 C ATOM 735 NZ LYS A 52 -6.759 11.518 -12.495 1.00 0.00 N ATOM 0 H LYS A 52 -9.377 8.222 -6.757 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.141 8.483 -9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.230 9.873 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.558 9.044 -9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.299 10.365 -10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.510 11.357 -9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.817 12.565 -10.081 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.819 11.411 -9.219 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.943 11.388 -11.412 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.935 9.945 -11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.670 10.841 -13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.760 11.606 -12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.399 12.446 -12.797 1.00 0.00 H new ATOM 749 N GLY A 53 -8.771 6.170 -7.950 1.00 0.00 N ATOM 750 CA GLY A 53 -8.299 4.817 -7.724 1.00 0.00 C ATOM 751 C GLY A 53 -9.185 3.775 -8.379 1.00 0.00 C ATOM 752 O GLY A 53 -9.801 4.034 -9.413 1.00 0.00 O ATOM 0 H GLY A 53 -9.736 6.340 -7.667 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.284 4.721 -8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.252 4.627 -6.652 1.00 0.00 H new ATOM 756 N LYS A 54 -9.249 2.593 -7.774 1.00 0.00 N ATOM 757 CA LYS A 54 -10.067 1.507 -8.304 1.00 0.00 C ATOM 758 C LYS A 54 -10.618 0.642 -7.173 1.00 0.00 C ATOM 759 O LYS A 54 -10.813 -0.562 -7.338 1.00 0.00 O ATOM 760 CB LYS A 54 -9.246 0.647 -9.267 1.00 0.00 C ATOM 761 CG LYS A 54 -9.336 1.101 -10.715 1.00 0.00 C ATOM 762 CD LYS A 54 -9.325 -0.081 -11.671 1.00 0.00 C ATOM 763 CE LYS A 54 -9.330 0.374 -13.121 1.00 0.00 C ATOM 764 NZ LYS A 54 -9.089 -0.755 -14.060 1.00 0.00 N ATOM 0 H LYS A 54 -8.745 2.363 -6.918 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.906 1.945 -8.845 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.202 0.662 -8.954 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.585 -0.387 -9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.249 1.679 -10.860 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.500 1.762 -10.943 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.443 -0.693 -11.484 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.195 -0.710 -11.483 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.288 0.839 -13.352 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.563 1.135 -13.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.100 -0.402 -15.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.163 -1.183 -13.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.835 -1.470 -13.942 1.00 0.00 H new ATOM 778 N ASN A 55 -10.864 1.265 -6.026 1.00 0.00 N ATOM 779 CA ASN A 55 -11.393 0.553 -4.868 1.00 0.00 C ATOM 780 C ASN A 55 -12.108 1.510 -3.921 1.00 0.00 C ATOM 781 O ASN A 55 -11.791 2.699 -3.868 1.00 0.00 O ATOM 782 CB ASN A 55 -10.263 -0.166 -4.128 1.00 0.00 C ATOM 783 CG ASN A 55 -9.648 -1.280 -4.951 1.00 0.00 C ATOM 784 OD1 ASN A 55 -10.304 -2.274 -5.261 1.00 0.00 O ATOM 785 ND2 ASN A 55 -8.380 -1.118 -5.312 1.00 0.00 N ATOM 0 H ASN A 55 -10.706 2.261 -5.873 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.114 -0.184 -5.223 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.490 0.555 -3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.648 -0.578 -3.195 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.913 -1.834 -5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.874 -0.278 -5.033 1.00 0.00 H new ATOM 792 N ASP A 56 -13.073 0.985 -3.173 1.00 0.00 N ATOM 793 CA ASP A 56 -13.833 1.794 -2.227 1.00 0.00 C ATOM 794 C ASP A 56 -13.157 1.812 -0.861 1.00 0.00 C ATOM 795 O ASP A 56 -13.242 2.796 -0.128 1.00 0.00 O ATOM 796 CB ASP A 56 -15.260 1.258 -2.097 1.00 0.00 C ATOM 797 CG ASP A 56 -15.294 -0.191 -1.653 1.00 0.00 C ATOM 798 OD1 ASP A 56 -15.327 -0.436 -0.428 1.00 0.00 O ATOM 799 OD2 ASP A 56 -15.289 -1.081 -2.529 1.00 0.00 O ATOM 0 H ASP A 56 -13.347 0.003 -3.204 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.869 2.815 -2.607 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.811 1.868 -1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.770 1.354 -3.056 1.00 0.00 H new ATOM 804 N GLY A 57 -12.485 0.716 -0.524 1.00 0.00 N ATOM 805 CA GLY A 57 -11.804 0.627 0.755 1.00 0.00 C ATOM 806 C GLY A 57 -11.536 -0.806 1.170 1.00 0.00 C ATOM 807 O GLY A 57 -10.581 -1.079 1.898 1.00 0.00 O ATOM 0 H GLY A 57 -12.400 -0.112 -1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.860 1.169 0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.407 1.117 1.519 1.00 0.00 H new ATOM 811 N ALA A 58 -12.379 -1.722 0.708 1.00 0.00 N ATOM 812 CA ALA A 58 -12.228 -3.135 1.037 1.00 0.00 C ATOM 813 C ALA A 58 -12.160 -3.988 -0.225 1.00 0.00 C ATOM 814 O ALA A 58 -12.704 -3.620 -1.265 1.00 0.00 O ATOM 815 CB ALA A 58 -13.375 -3.594 1.925 1.00 0.00 C ATOM 0 H ALA A 58 -13.174 -1.512 0.105 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.290 -3.259 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.250 -4.650 2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.377 -3.012 2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.320 -3.449 1.402 1.00 0.00 H new ATOM 821 N VAL A 59 -11.488 -5.131 -0.124 1.00 0.00 N ATOM 822 CA VAL A 59 -11.349 -6.037 -1.257 1.00 0.00 C ATOM 823 C VAL A 59 -11.662 -7.473 -0.853 1.00 0.00 C ATOM 824 O VAL A 59 -11.095 -7.996 0.107 1.00 0.00 O ATOM 825 CB VAL A 59 -9.929 -5.981 -1.851 1.00 0.00 C ATOM 826 CG1 VAL A 59 -9.858 -6.776 -3.145 1.00 0.00 C ATOM 827 CG2 VAL A 59 -9.502 -4.539 -2.079 1.00 0.00 C ATOM 0 H VAL A 59 -11.032 -5.451 0.731 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.064 -5.710 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.239 -6.432 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.847 -6.724 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.117 -7.816 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.559 -6.358 -3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.496 -4.519 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.194 -4.060 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.509 -4.003 -1.130 1.00 0.00 H new ATOM 837 N GLY A 60 -12.568 -8.106 -1.591 1.00 0.00 N ATOM 838 CA GLY A 60 -12.941 -9.477 -1.293 1.00 0.00 C ATOM 839 C GLY A 60 -13.603 -9.616 0.064 1.00 0.00 C ATOM 840 O GLY A 60 -14.563 -8.908 0.368 1.00 0.00 O ATOM 0 H GLY A 60 -13.051 -7.694 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.620 -9.841 -2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.053 -10.108 -1.327 1.00 0.00 H new ATOM 844 N ASP A 61 -13.089 -10.529 0.880 1.00 0.00 N ATOM 845 CA ASP A 61 -13.637 -10.759 2.212 1.00 0.00 C ATOM 846 C ASP A 61 -12.695 -10.225 3.289 1.00 0.00 C ATOM 847 O ASP A 61 -12.645 -10.750 4.400 1.00 0.00 O ATOM 848 CB ASP A 61 -13.892 -12.253 2.430 1.00 0.00 C ATOM 849 CG ASP A 61 -15.369 -12.590 2.444 1.00 0.00 C ATOM 850 OD1 ASP A 61 -16.058 -12.280 1.450 1.00 0.00 O ATOM 851 OD2 ASP A 61 -15.838 -13.165 3.449 1.00 0.00 O ATOM 0 H ASP A 61 -12.294 -11.122 0.643 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.583 -10.223 2.287 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.400 -12.822 1.641 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.443 -12.562 3.374 1.00 0.00 H new ATOM 856 N LYS A 62 -11.948 -9.179 2.948 1.00 0.00 N ATOM 857 CA LYS A 62 -11.008 -8.575 3.885 1.00 0.00 C ATOM 858 C LYS A 62 -10.967 -7.059 3.715 1.00 0.00 C ATOM 859 O LYS A 62 -11.274 -6.537 2.644 1.00 0.00 O ATOM 860 CB LYS A 62 -9.609 -9.162 3.685 1.00 0.00 C ATOM 861 CG LYS A 62 -8.905 -9.516 4.985 1.00 0.00 C ATOM 862 CD LYS A 62 -7.768 -10.497 4.755 1.00 0.00 C ATOM 863 CE LYS A 62 -7.224 -11.038 6.066 1.00 0.00 C ATOM 864 NZ LYS A 62 -7.749 -12.400 6.366 1.00 0.00 N ATOM 0 H LYS A 62 -11.976 -8.733 2.031 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.347 -8.799 4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.685 -10.057 3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.999 -8.446 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.516 -8.609 5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.623 -9.947 5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.119 -11.324 4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.967 -10.004 4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.135 -11.070 6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.490 -10.360 6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.354 -12.733 7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.786 -12.365 6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.474 -13.054 5.605 1.00 0.00 H new ATOM 878 N ARG A 63 -10.586 -6.359 4.779 1.00 0.00 N ATOM 879 CA ARG A 63 -10.505 -4.903 4.746 1.00 0.00 C ATOM 880 C ARG A 63 -9.051 -4.440 4.730 1.00 0.00 C ATOM 881 O ARG A 63 -8.147 -5.185 5.108 1.00 0.00 O ATOM 882 CB ARG A 63 -11.233 -4.306 5.953 1.00 0.00 C ATOM 883 CG ARG A 63 -12.152 -3.149 5.597 1.00 0.00 C ATOM 884 CD ARG A 63 -13.554 -3.634 5.263 1.00 0.00 C ATOM 885 NE ARG A 63 -14.397 -3.732 6.451 1.00 0.00 N ATOM 886 CZ ARG A 63 -15.535 -4.421 6.497 1.00 0.00 C ATOM 887 NH1 ARG A 63 -15.970 -5.072 5.425 1.00 0.00 N ATOM 888 NH2 ARG A 63 -16.242 -4.459 7.619 1.00 0.00 N ATOM 0 H ARG A 63 -10.329 -6.776 5.674 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.986 -4.555 3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.818 -5.088 6.437 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.496 -3.963 6.679 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.197 -2.449 6.431 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.742 -2.605 4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -14.013 -2.951 4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.495 -4.609 4.779 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.096 -3.244 7.295 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.431 -5.046 4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.843 -5.598 5.467 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.913 -3.960 8.446 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -17.114 -4.987 7.655 1.00 0.00 H new ATOM 902 N TYR A 64 -8.834 -3.205 4.290 1.00 0.00 N ATOM 903 CA TYR A 64 -7.490 -2.642 4.225 1.00 0.00 C ATOM 904 C TYR A 64 -7.490 -1.182 4.663 1.00 0.00 C ATOM 905 O TYR A 64 -6.666 -0.767 5.478 1.00 0.00 O ATOM 906 CB TYR A 64 -6.934 -2.759 2.804 1.00 0.00 C ATOM 907 CG TYR A 64 -6.657 -4.182 2.376 1.00 0.00 C ATOM 908 CD1 TYR A 64 -5.725 -4.962 3.050 1.00 0.00 C ATOM 909 CD2 TYR A 64 -7.327 -4.747 1.298 1.00 0.00 C ATOM 910 CE1 TYR A 64 -5.469 -6.263 2.661 1.00 0.00 C ATOM 911 CE2 TYR A 64 -7.077 -6.047 0.903 1.00 0.00 C ATOM 912 CZ TYR A 64 -6.147 -6.801 1.588 1.00 0.00 C ATOM 913 OH TYR A 64 -5.895 -8.097 1.198 1.00 0.00 O ATOM 0 H TYR A 64 -9.571 -2.575 3.973 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.853 -3.207 4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.643 -2.311 2.108 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.012 -2.182 2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.192 -4.545 3.892 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.056 -4.160 0.759 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.741 -6.856 3.195 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.607 -6.471 0.063 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.245 -8.716 1.873 1.00 0.00 H new ATOM 923 N PHE A 65 -8.421 -0.406 4.117 1.00 0.00 N ATOM 924 CA PHE A 65 -8.530 1.010 4.451 1.00 0.00 C ATOM 925 C PHE A 65 -9.974 1.486 4.337 1.00 0.00 C ATOM 926 O PHE A 65 -10.867 0.715 3.984 1.00 0.00 O ATOM 927 CB PHE A 65 -7.632 1.842 3.534 1.00 0.00 C ATOM 928 CG PHE A 65 -7.740 1.465 2.084 1.00 0.00 C ATOM 929 CD1 PHE A 65 -7.074 0.353 1.592 1.00 0.00 C ATOM 930 CD2 PHE A 65 -8.508 2.220 1.213 1.00 0.00 C ATOM 931 CE1 PHE A 65 -7.172 0.003 0.259 1.00 0.00 C ATOM 932 CE2 PHE A 65 -8.609 1.876 -0.121 1.00 0.00 C ATOM 933 CZ PHE A 65 -7.941 0.765 -0.599 1.00 0.00 C ATOM 0 H PHE A 65 -9.111 -0.734 3.441 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.204 1.141 5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.888 2.896 3.647 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.596 1.729 3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.472 -0.247 2.258 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.034 3.088 1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.648 -0.865 -0.112 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.210 2.475 -0.790 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.020 0.493 -1.641 1.00 0.00 H new ATOM 943 N THR A 66 -10.196 2.762 4.638 1.00 0.00 N ATOM 944 CA THR A 66 -11.532 3.342 4.568 1.00 0.00 C ATOM 945 C THR A 66 -11.495 4.715 3.905 1.00 0.00 C ATOM 946 O THR A 66 -10.772 5.608 4.347 1.00 0.00 O ATOM 947 CB THR A 66 -12.136 3.455 5.968 1.00 0.00 C ATOM 948 OG1 THR A 66 -13.340 4.200 5.938 1.00 0.00 O ATOM 949 CG2 THR A 66 -11.211 4.118 6.967 1.00 0.00 C ATOM 0 H THR A 66 -9.468 3.413 4.932 1.00 0.00 H new ATOM 0 HA THR A 66 -12.155 2.683 3.963 1.00 0.00 H new ATOM 0 HB THR A 66 -12.316 2.429 6.288 1.00 0.00 H new ATOM 0 HG1 THR A 66 -13.711 4.259 6.843 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.701 4.166 7.940 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.292 3.539 7.052 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.974 5.127 6.629 1.00 0.00 H new ATOM 957 N CYS A 67 -12.279 4.876 2.844 1.00 0.00 N ATOM 958 CA CYS A 67 -12.335 6.142 2.121 1.00 0.00 C ATOM 959 C CYS A 67 -13.514 6.165 1.154 1.00 0.00 C ATOM 960 O CYS A 67 -14.291 5.212 1.084 1.00 0.00 O ATOM 961 CB CYS A 67 -11.030 6.375 1.358 1.00 0.00 C ATOM 962 SG CYS A 67 -10.610 5.057 0.193 1.00 0.00 S ATOM 0 H CYS A 67 -12.884 4.147 2.466 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.470 6.942 2.849 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -11.103 7.317 0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -10.217 6.484 2.075 1.00 0.00 H new ATOM 0 HG CYS A 67 -11.608 4.230 0.096 1.00 0.00 H new ATOM 968 N LYS A 68 -13.641 7.258 0.410 1.00 0.00 N ATOM 969 CA LYS A 68 -14.726 7.407 -0.554 1.00 0.00 C ATOM 970 C LYS A 68 -14.552 6.439 -1.723 1.00 0.00 C ATOM 971 O LYS A 68 -13.535 5.754 -1.827 1.00 0.00 O ATOM 972 CB LYS A 68 -14.783 8.847 -1.070 1.00 0.00 C ATOM 973 CG LYS A 68 -15.913 9.665 -0.466 1.00 0.00 C ATOM 974 CD LYS A 68 -16.662 10.456 -1.528 1.00 0.00 C ATOM 975 CE LYS A 68 -17.154 11.790 -0.989 1.00 0.00 C ATOM 976 NZ LYS A 68 -18.630 11.797 -0.791 1.00 0.00 N ATOM 0 H LYS A 68 -13.006 8.055 0.456 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.663 7.173 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.834 9.339 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.896 8.832 -2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.607 9.002 0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.509 10.349 0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.009 10.627 -2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.510 9.873 -1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.659 12.004 -0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.876 12.586 -1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.926 12.723 -0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.103 11.618 -1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.893 11.054 -0.112 1.00 0.00 H new ATOM 990 N PRO A 69 -15.551 6.370 -2.621 1.00 0.00 N ATOM 991 CA PRO A 69 -15.505 5.481 -3.787 1.00 0.00 C ATOM 992 C PRO A 69 -14.313 5.773 -4.692 1.00 0.00 C ATOM 993 O PRO A 69 -14.177 6.876 -5.219 1.00 0.00 O ATOM 994 CB PRO A 69 -16.817 5.777 -4.524 1.00 0.00 C ATOM 995 CG PRO A 69 -17.706 6.396 -3.500 1.00 0.00 C ATOM 996 CD PRO A 69 -16.799 7.150 -2.571 1.00 0.00 C ATOM 0 HA PRO A 69 -15.394 4.437 -3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.654 6.452 -5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.256 4.865 -4.928 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -18.432 7.063 -3.965 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.271 5.635 -2.962 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -16.646 8.177 -2.902 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.205 7.197 -1.561 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.451 4.776 -4.868 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.271 4.924 -5.711 1.00 0.00 C ATOM 1006 C ASN A 70 -11.346 6.012 -5.172 1.00 0.00 C ATOM 1007 O ASN A 70 -10.925 6.904 -5.910 1.00 0.00 O ATOM 1008 CB ASN A 70 -12.685 5.252 -7.148 1.00 0.00 C ATOM 1009 CG ASN A 70 -13.552 4.170 -7.761 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -13.048 3.171 -8.274 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -14.865 4.364 -7.711 1.00 0.00 N ATOM 0 H ASN A 70 -13.548 3.857 -4.437 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.728 3.979 -5.703 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.226 6.198 -7.160 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.792 5.388 -7.758 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.499 3.670 -8.108 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.240 5.207 -7.276 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.032 5.931 -3.884 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.154 6.908 -3.249 1.00 0.00 C ATOM 1020 C TYR A 71 -8.799 6.288 -2.920 1.00 0.00 C ATOM 1021 O TYR A 71 -7.774 6.968 -2.936 1.00 0.00 O ATOM 1022 CB TYR A 71 -10.801 7.457 -1.976 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.450 8.811 -2.161 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -12.305 9.052 -3.229 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.206 9.846 -1.267 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -12.899 10.287 -3.401 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -11.797 11.084 -1.433 1.00 0.00 C ATOM 1028 CZ TYR A 71 -12.642 11.301 -2.502 1.00 0.00 C ATOM 1029 OH TYR A 71 -13.232 12.532 -2.669 1.00 0.00 O ATOM 0 H TYR A 71 -11.372 5.200 -3.259 1.00 0.00 H new ATOM 0 HA TYR A 71 -9.998 7.728 -3.950 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.552 6.749 -1.626 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.043 7.530 -1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.508 8.261 -3.936 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.544 9.681 -0.430 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -13.562 10.458 -4.236 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.598 11.878 -0.729 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.946 13.132 -1.949 1.00 0.00 H new ATOM 1039 N GLY A 72 -8.805 4.993 -2.622 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.572 4.301 -2.294 1.00 0.00 C ATOM 1041 C GLY A 72 -7.256 3.185 -3.269 1.00 0.00 C ATOM 1042 O GLY A 72 -8.137 2.711 -3.987 1.00 0.00 O ATOM 0 H GLY A 72 -9.642 4.410 -2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.749 5.016 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.647 3.889 -1.287 1.00 0.00 H new ATOM 1046 N VAL A 73 -5.996 2.763 -3.295 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.567 1.696 -4.191 1.00 0.00 C ATOM 1048 C VAL A 73 -4.614 0.737 -3.484 1.00 0.00 C ATOM 1049 O VAL A 73 -4.116 1.029 -2.397 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.873 2.259 -5.445 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.884 2.944 -6.351 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.760 3.219 -5.054 1.00 0.00 C ATOM 0 H VAL A 73 -5.255 3.143 -2.706 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.465 1.157 -4.494 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.429 1.430 -5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.376 3.336 -7.232 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.642 2.224 -6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.359 3.763 -5.812 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.281 3.607 -5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.178 4.046 -4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.022 2.693 -4.448 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.366 -0.409 -4.110 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.472 -1.411 -3.540 1.00 0.00 C ATOM 1064 C LEU A 74 -2.371 -1.784 -4.528 1.00 0.00 C ATOM 1065 O LEU A 74 -2.641 -2.338 -5.593 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.260 -2.661 -3.142 1.00 0.00 C ATOM 1067 CG LEU A 74 -5.460 -2.406 -2.226 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.765 -2.581 -2.990 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -5.420 -3.334 -1.020 1.00 0.00 C ATOM 0 H LEU A 74 -4.770 -0.667 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.008 -0.983 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.612 -3.154 -4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.583 -3.355 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.405 -1.377 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.606 -2.395 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.798 -1.875 -3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.827 -3.598 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.281 -3.138 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.447 -4.370 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.503 -3.160 -0.457 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.131 -1.478 -4.164 1.00 0.00 N ATOM 1082 CA VAL A 75 0.012 -1.782 -5.017 1.00 0.00 C ATOM 1083 C VAL A 75 1.102 -2.507 -4.233 1.00 0.00 C ATOM 1084 O VAL A 75 1.004 -2.664 -3.017 1.00 0.00 O ATOM 1085 CB VAL A 75 0.607 -0.506 -5.640 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -0.284 0.007 -6.761 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.810 0.563 -4.578 1.00 0.00 C ATOM 0 H VAL A 75 -0.891 -1.020 -3.285 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.353 -2.429 -5.815 1.00 0.00 H new ATOM 0 HB VAL A 75 1.580 -0.751 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.153 0.909 -7.189 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.371 -0.756 -7.534 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.273 0.236 -6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.231 1.457 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.148 0.808 -4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.493 0.192 -3.814 1.00 0.00 H new ATOM 1097 N ARG A 76 2.138 -2.946 -4.939 1.00 0.00 N ATOM 1098 CA ARG A 76 3.245 -3.657 -4.308 1.00 0.00 C ATOM 1099 C ARG A 76 4.350 -2.688 -3.892 1.00 0.00 C ATOM 1100 O ARG A 76 4.582 -1.676 -4.550 1.00 0.00 O ATOM 1101 CB ARG A 76 3.810 -4.711 -5.260 1.00 0.00 C ATOM 1102 CG ARG A 76 2.876 -5.889 -5.489 1.00 0.00 C ATOM 1103 CD ARG A 76 3.595 -7.056 -6.146 1.00 0.00 C ATOM 1104 NE ARG A 76 3.453 -8.291 -5.378 1.00 0.00 N ATOM 1105 CZ ARG A 76 4.245 -9.350 -5.524 1.00 0.00 C ATOM 1106 NH1 ARG A 76 5.236 -9.331 -6.406 1.00 0.00 N ATOM 1107 NH2 ARG A 76 4.045 -10.433 -4.785 1.00 0.00 N ATOM 0 H ARG A 76 2.235 -2.823 -5.947 1.00 0.00 H new ATOM 0 HA ARG A 76 2.863 -4.150 -3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.031 -4.241 -6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.755 -5.080 -4.861 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.455 -6.210 -4.536 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.042 -5.576 -6.117 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.199 -7.206 -7.150 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.653 -6.816 -6.253 1.00 0.00 H new ATOM 0 HE ARG A 76 2.702 -8.344 -4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.394 -8.501 -6.977 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.839 -10.146 -6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.285 -10.453 -4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.652 -11.245 -4.896 1.00 0.00 H new ATOM 1121 N PRO A 77 5.052 -2.990 -2.783 1.00 0.00 N ATOM 1122 CA PRO A 77 6.138 -2.143 -2.289 1.00 0.00 C ATOM 1123 C PRO A 77 7.070 -1.732 -3.418 1.00 0.00 C ATOM 1124 O PRO A 77 7.365 -0.554 -3.606 1.00 0.00 O ATOM 1125 CB PRO A 77 6.858 -3.048 -1.291 1.00 0.00 C ATOM 1126 CG PRO A 77 5.793 -3.955 -0.781 1.00 0.00 C ATOM 1127 CD PRO A 77 4.847 -4.179 -1.932 1.00 0.00 C ATOM 0 HA PRO A 77 5.784 -1.211 -1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.661 -3.608 -1.770 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.309 -2.471 -0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.217 -4.898 -0.436 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.275 -3.509 0.068 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.077 -5.100 -2.467 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.814 -4.257 -1.593 1.00 0.00 H new ATOM 1135 N SER A 78 7.513 -2.729 -4.181 1.00 0.00 N ATOM 1136 CA SER A 78 8.393 -2.489 -5.311 1.00 0.00 C ATOM 1137 C SER A 78 7.742 -1.498 -6.267 1.00 0.00 C ATOM 1138 O SER A 78 8.427 -0.804 -7.020 1.00 0.00 O ATOM 1139 CB SER A 78 8.699 -3.799 -6.039 1.00 0.00 C ATOM 1140 OG SER A 78 7.517 -4.382 -6.560 1.00 0.00 O ATOM 0 H SER A 78 7.274 -3.710 -4.033 1.00 0.00 H new ATOM 0 HA SER A 78 9.331 -2.071 -4.945 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.404 -3.612 -6.849 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.180 -4.496 -5.353 1.00 0.00 H new ATOM 0 HG SER A 78 7.740 -5.217 -7.022 1.00 0.00 H new ATOM 1146 N ARG A 79 6.411 -1.423 -6.218 1.00 0.00 N ATOM 1147 CA ARG A 79 5.679 -0.499 -7.069 1.00 0.00 C ATOM 1148 C ARG A 79 5.580 0.873 -6.408 1.00 0.00 C ATOM 1149 O ARG A 79 5.193 1.850 -7.048 1.00 0.00 O ATOM 1150 CB ARG A 79 4.280 -1.038 -7.379 1.00 0.00 C ATOM 1151 CG ARG A 79 4.290 -2.355 -8.136 1.00 0.00 C ATOM 1152 CD ARG A 79 4.815 -2.180 -9.552 1.00 0.00 C ATOM 1153 NE ARG A 79 3.732 -2.050 -10.526 1.00 0.00 N ATOM 1154 CZ ARG A 79 3.059 -3.083 -11.030 1.00 0.00 C ATOM 1155 NH1 ARG A 79 3.354 -4.322 -10.655 1.00 0.00 N ATOM 1156 NH2 ARG A 79 2.090 -2.876 -11.910 1.00 0.00 N ATOM 0 H ARG A 79 5.827 -1.988 -5.602 1.00 0.00 H new ATOM 0 HA ARG A 79 6.225 -0.397 -8.007 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.735 -1.170 -6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.735 -0.297 -7.964 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.909 -3.077 -7.604 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.280 -2.764 -8.169 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.450 -1.295 -9.596 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.439 -3.034 -9.815 1.00 0.00 H new ATOM 0 HE ARG A 79 3.477 -1.113 -10.838 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.099 -4.486 -9.978 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.836 -5.110 -11.044 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.860 -1.926 -12.201 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.574 -3.667 -12.296 1.00 0.00 H new ATOM 1170 N VAL A 80 5.940 0.949 -5.122 1.00 0.00 N ATOM 1171 CA VAL A 80 5.889 2.216 -4.400 1.00 0.00 C ATOM 1172 C VAL A 80 7.258 2.585 -3.837 1.00 0.00 C ATOM 1173 O VAL A 80 8.156 1.748 -3.759 1.00 0.00 O ATOM 1174 CB VAL A 80 4.865 2.178 -3.251 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.455 2.012 -3.797 1.00 0.00 C ATOM 1176 CG2 VAL A 80 5.199 1.064 -2.272 1.00 0.00 C ATOM 0 H VAL A 80 6.265 0.156 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 80 5.579 2.972 -5.121 1.00 0.00 H new ATOM 0 HB VAL A 80 4.914 3.126 -2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.745 1.987 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.218 2.849 -4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.390 1.080 -4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.464 1.054 -1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.182 0.106 -2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.192 1.232 -1.854 1.00 0.00 H new ATOM 1186 N THR A 81 7.413 3.848 -3.449 1.00 0.00 N ATOM 1187 CA THR A 81 8.675 4.327 -2.897 1.00 0.00 C ATOM 1188 C THR A 81 8.445 5.492 -1.939 1.00 0.00 C ATOM 1189 O THR A 81 7.405 6.148 -1.983 1.00 0.00 O ATOM 1190 CB THR A 81 9.618 4.756 -4.023 1.00 0.00 C ATOM 1191 OG1 THR A 81 8.883 5.175 -5.159 1.00 0.00 O ATOM 1192 CG2 THR A 81 10.560 3.657 -4.466 1.00 0.00 C ATOM 0 H THR A 81 6.681 4.556 -3.507 1.00 0.00 H new ATOM 0 HA THR A 81 9.132 3.509 -2.341 1.00 0.00 H new ATOM 0 HB THR A 81 10.208 5.574 -3.610 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.503 5.447 -5.868 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.201 4.028 -5.266 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.176 3.344 -3.623 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.982 2.807 -4.828 1.00 0.00 H new