USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 655 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: B 111 GLN : amide:sc= 0.528 K(o=1.8,f=-7.1!) USER MOD Set 1.2: B 114 LYS NZ :NH3+ -158:sc= 1.31 (180deg=0) USER MOD Set 2.1: A 51 ASN : amide:sc= 0.282 K(o=0.28,f=-1.3) USER MOD Set 2.2: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 35 GLN : amide:sc= 0.625 K(o=-2,f=-12!) USER MOD Set 3.2: A 40 HIS : +bothHN:sc= -2.65! C(o=-2!,f=-3.3!) USER MOD Set 4.1: A 30 GLN : amide:sc= 1.15 K(o=0.4,f=-13!) USER MOD Set 4.2: A 38 HIS : +bothHN:sc= -1.22 K(o=0.4,f=-9.1!) USER MOD Set 4.3: A 70 THR OG1 : rot 111:sc= 0.468 USER MOD Single : A 15 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.14) USER MOD Single : A 16 TYR OH : rot 110:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= -0.0178 (180deg=-0.209) USER MOD Single : A 21 SER OG : rot 103:sc= 1.27 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 159:sc= 1.73 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 157:sc= 1.24 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 2.09 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.629 K(o=-0.63,f=-4.6!) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 2.04 (180deg=1.99) USER MOD Single : A 54 LYS NZ :NH3+ 172:sc=-0.000178 (180deg=-0.0605) USER MOD Single : A 55 ASN :FLIP amide:sc= -1.47! C(o=-2.9!,f=-1.5!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1.06 K(o=1.1,f=-12!) USER MOD Single : A 71 THR OG1 : rot 147:sc= -0.643 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.018 F(o=-0.83,f=-0.018) USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 1.21 (180deg=1.06) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 115 ASN : amide:sc= -2.99! C(o=-3!,f=-5.4!) USER MOD Single : B 118 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 -4.094 9.254 4.134 1.00 0.00 N ATOM 180 CA GLY A 13 -4.112 8.730 2.806 1.00 0.00 C ATOM 181 C GLY A 13 -4.961 7.501 2.715 1.00 0.00 C ATOM 182 O GLY A 13 -5.115 6.926 1.641 1.00 0.00 O ATOM 0 HA2 GLY A 13 -4.491 9.487 2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.095 8.495 2.492 1.00 0.00 H new ATOM 186 N GLU A 14 -5.525 7.096 3.849 1.00 0.00 N ATOM 187 CA GLU A 14 -6.432 5.952 3.895 1.00 0.00 C ATOM 188 C GLU A 14 -7.629 6.222 3.004 1.00 0.00 C ATOM 189 O GLU A 14 -8.141 5.334 2.322 1.00 0.00 O ATOM 190 CB GLU A 14 -6.939 5.700 5.313 1.00 0.00 C ATOM 191 CG GLU A 14 -5.889 5.299 6.323 1.00 0.00 C ATOM 192 CD GLU A 14 -6.493 5.127 7.693 1.00 0.00 C ATOM 193 OE1 GLU A 14 -7.118 4.063 7.967 1.00 0.00 O ATOM 194 OE2 GLU A 14 -6.375 6.051 8.520 1.00 0.00 O ATOM 0 H GLU A 14 -5.370 7.544 4.752 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.881 5.075 3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.432 6.605 5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.697 4.918 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.416 4.368 6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.107 6.057 6.359 1.00 0.00 H new ATOM 201 N ASN A 15 -8.022 7.480 2.975 1.00 0.00 N ATOM 202 CA ASN A 15 -9.176 7.916 2.220 1.00 0.00 C ATOM 203 C ASN A 15 -8.769 8.374 0.809 1.00 0.00 C ATOM 204 O ASN A 15 -9.599 8.795 0.016 1.00 0.00 O ATOM 205 CB ASN A 15 -9.935 9.004 3.021 1.00 0.00 C ATOM 206 CG ASN A 15 -11.217 9.515 2.375 1.00 0.00 C ATOM 207 OD1 ASN A 15 -11.226 10.543 1.696 1.00 0.00 O ATOM 208 ND2 ASN A 15 -12.289 8.803 2.570 1.00 0.00 N ATOM 0 H ASN A 15 -7.547 8.230 3.477 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.861 7.081 2.074 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.179 8.603 4.005 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.265 9.849 3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.175 9.091 2.154 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.243 7.957 3.138 1.00 0.00 H new ATOM 215 N TYR A 16 -7.480 8.245 0.478 1.00 0.00 N ATOM 216 CA TYR A 16 -7.057 8.585 -0.861 1.00 0.00 C ATOM 217 C TYR A 16 -7.352 7.421 -1.765 1.00 0.00 C ATOM 218 O TYR A 16 -6.631 6.435 -1.762 1.00 0.00 O ATOM 219 CB TYR A 16 -5.547 8.980 -0.965 1.00 0.00 C ATOM 220 CG TYR A 16 -5.080 9.204 -2.420 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.257 10.426 -3.053 1.00 0.00 C ATOM 222 CD2 TYR A 16 -4.506 8.165 -3.163 1.00 0.00 C ATOM 223 CE1 TYR A 16 -4.890 10.614 -4.377 1.00 0.00 C ATOM 224 CE2 TYR A 16 -4.126 8.340 -4.480 1.00 0.00 C ATOM 225 CZ TYR A 16 -4.326 9.574 -5.087 1.00 0.00 C ATOM 226 OH TYR A 16 -3.985 9.758 -6.413 1.00 0.00 O ATOM 0 H TYR A 16 -6.743 7.918 1.103 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.614 9.471 -1.164 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.375 9.890 -0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.940 8.196 -0.511 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.690 11.248 -2.503 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.357 7.203 -2.695 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.045 11.572 -4.851 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.678 7.527 -5.032 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.009 9.770 -6.501 1.00 0.00 H new ATOM 236 N ASP A 17 -8.382 7.546 -2.539 1.00 0.00 N ATOM 237 CA ASP A 17 -8.783 6.506 -3.439 1.00 0.00 C ATOM 238 C ASP A 17 -8.708 7.074 -4.817 1.00 0.00 C ATOM 239 O ASP A 17 -9.709 7.353 -5.470 1.00 0.00 O ATOM 240 CB ASP A 17 -10.193 5.990 -3.107 1.00 0.00 C ATOM 241 CG ASP A 17 -10.571 4.731 -3.871 1.00 0.00 C ATOM 242 OD1 ASP A 17 -10.111 3.630 -3.482 1.00 0.00 O ATOM 243 OD2 ASP A 17 -11.373 4.810 -4.832 1.00 0.00 O ATOM 0 H ASP A 17 -8.974 8.376 -2.567 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.125 5.642 -3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.256 5.790 -2.037 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.919 6.772 -3.328 1.00 0.00 H new ATOM 248 N GLY A 18 -7.503 7.370 -5.188 1.00 0.00 N ATOM 249 CA GLY A 18 -7.227 7.968 -6.449 1.00 0.00 C ATOM 250 C GLY A 18 -6.950 6.922 -7.467 1.00 0.00 C ATOM 251 O GLY A 18 -6.899 5.755 -7.136 1.00 0.00 O ATOM 0 H GLY A 18 -6.676 7.200 -4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.075 8.576 -6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.370 8.636 -6.362 1.00 0.00 H new ATOM 255 N LYS A 19 -6.764 7.311 -8.691 1.00 0.00 N ATOM 256 CA LYS A 19 -6.560 6.343 -9.737 1.00 0.00 C ATOM 257 C LYS A 19 -5.109 6.306 -10.212 1.00 0.00 C ATOM 258 O LYS A 19 -4.803 5.786 -11.293 1.00 0.00 O ATOM 259 CB LYS A 19 -7.583 6.469 -10.912 1.00 0.00 C ATOM 260 CG LYS A 19 -7.541 7.732 -11.767 1.00 0.00 C ATOM 261 CD LYS A 19 -7.967 8.985 -11.004 1.00 0.00 C ATOM 262 CE LYS A 19 -8.103 10.200 -11.912 1.00 0.00 C ATOM 263 NZ LYS A 19 -9.209 10.043 -12.884 1.00 0.00 N ATOM 0 H LYS A 19 -6.748 8.285 -8.994 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.765 5.371 -9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.440 5.614 -11.573 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.585 6.383 -10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.530 7.872 -12.148 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.192 7.601 -12.631 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.919 8.798 -10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.236 9.198 -10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.277 11.089 -11.305 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.168 10.358 -12.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.435 10.967 -13.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.921 9.382 -13.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.049 9.669 -12.397 1.00 0.00 H new ATOM 277 N ILE A 20 -4.217 6.818 -9.379 1.00 0.00 N ATOM 278 CA ILE A 20 -2.791 6.749 -9.645 1.00 0.00 C ATOM 279 C ILE A 20 -2.351 5.292 -9.458 1.00 0.00 C ATOM 280 O ILE A 20 -2.860 4.595 -8.562 1.00 0.00 O ATOM 281 CB ILE A 20 -1.980 7.689 -8.690 1.00 0.00 C ATOM 282 CG1 ILE A 20 -0.499 7.759 -9.106 1.00 0.00 C ATOM 283 CG2 ILE A 20 -2.121 7.249 -7.235 1.00 0.00 C ATOM 284 CD1 ILE A 20 0.347 8.708 -8.274 1.00 0.00 C ATOM 0 H ILE A 20 -4.459 7.289 -8.507 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.594 7.086 -10.663 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.398 8.692 -8.777 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.070 6.759 -9.042 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.443 8.064 -10.151 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.548 7.920 -6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.171 7.281 -6.945 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.745 6.232 -7.124 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.375 8.693 -8.637 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.052 9.719 -8.356 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.327 8.394 -7.230 1.00 0.00 H new ATOM 296 N SER A 21 -1.472 4.817 -10.295 1.00 0.00 N ATOM 297 CA SER A 21 -1.086 3.438 -10.208 1.00 0.00 C ATOM 298 C SER A 21 0.417 3.276 -10.336 1.00 0.00 C ATOM 299 O SER A 21 0.913 2.199 -10.649 1.00 0.00 O ATOM 300 CB SER A 21 -1.802 2.671 -11.307 1.00 0.00 C ATOM 301 OG SER A 21 -1.401 3.097 -12.611 1.00 0.00 O ATOM 0 H SER A 21 -1.016 5.354 -11.033 1.00 0.00 H new ATOM 0 HA SER A 21 -1.368 3.045 -9.231 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.599 1.606 -11.196 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.878 2.803 -11.198 1.00 0.00 H new ATOM 0 HG SER A 21 -0.777 2.444 -12.991 1.00 0.00 H new ATOM 307 N LYS A 22 1.139 4.324 -10.058 1.00 0.00 N ATOM 308 CA LYS A 22 2.571 4.296 -10.213 1.00 0.00 C ATOM 309 C LYS A 22 3.230 4.657 -8.925 1.00 0.00 C ATOM 310 O LYS A 22 2.714 5.475 -8.183 1.00 0.00 O ATOM 311 CB LYS A 22 3.032 5.226 -11.322 1.00 0.00 C ATOM 312 CG LYS A 22 2.443 4.893 -12.679 1.00 0.00 C ATOM 313 CD LYS A 22 2.948 5.823 -13.762 1.00 0.00 C ATOM 314 CE LYS A 22 2.640 7.279 -13.450 1.00 0.00 C ATOM 315 NZ LYS A 22 2.939 8.155 -14.590 1.00 0.00 N ATOM 0 H LYS A 22 0.762 5.210 -9.722 1.00 0.00 H new ATOM 0 HA LYS A 22 2.859 3.283 -10.493 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.764 6.250 -11.061 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.119 5.188 -11.388 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.692 3.864 -12.940 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.356 4.954 -12.627 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.025 5.696 -13.876 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.493 5.552 -14.714 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.588 7.379 -13.181 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.222 7.597 -12.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.716 9.139 -14.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.948 8.079 -14.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.365 7.868 -15.408 1.00 0.00 H new ATOM 329 N THR A 23 4.376 4.076 -8.666 1.00 0.00 N ATOM 330 CA THR A 23 5.045 4.293 -7.416 1.00 0.00 C ATOM 331 C THR A 23 5.842 5.591 -7.460 1.00 0.00 C ATOM 332 O THR A 23 5.794 6.324 -8.451 1.00 0.00 O ATOM 333 CB THR A 23 5.981 3.110 -7.107 1.00 0.00 C ATOM 334 OG1 THR A 23 6.940 2.953 -8.176 1.00 0.00 O ATOM 335 CG2 THR A 23 5.179 1.823 -6.944 1.00 0.00 C ATOM 0 H THR A 23 4.862 3.449 -9.308 1.00 0.00 H new ATOM 0 HA THR A 23 4.296 4.369 -6.628 1.00 0.00 H new ATOM 0 HB THR A 23 6.507 3.316 -6.175 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.717 2.455 -7.848 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.856 0.997 -6.726 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.470 1.937 -6.124 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.636 1.613 -7.866 1.00 0.00 H new ATOM 343 N MET A 24 6.580 5.882 -6.402 1.00 0.00 N ATOM 344 CA MET A 24 7.420 7.049 -6.379 1.00 0.00 C ATOM 345 C MET A 24 8.563 6.936 -7.402 1.00 0.00 C ATOM 346 O MET A 24 9.055 7.942 -7.900 1.00 0.00 O ATOM 347 CB MET A 24 7.900 7.374 -4.942 1.00 0.00 C ATOM 348 CG MET A 24 8.726 6.302 -4.214 1.00 0.00 C ATOM 349 SD MET A 24 10.416 6.134 -4.808 1.00 0.00 S ATOM 350 CE MET A 24 11.025 4.822 -3.747 1.00 0.00 C ATOM 0 H MET A 24 6.609 5.320 -5.551 1.00 0.00 H new ATOM 0 HA MET A 24 6.825 7.907 -6.692 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.494 8.287 -4.984 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.022 7.593 -4.335 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.750 6.539 -3.150 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.221 5.341 -4.315 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.064 4.605 -3.996 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.960 5.137 -2.705 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.422 3.926 -3.894 1.00 0.00 H new ATOM 360 N SER A 25 8.925 5.700 -7.761 1.00 0.00 N ATOM 361 CA SER A 25 9.914 5.466 -8.766 1.00 0.00 C ATOM 362 C SER A 25 9.237 5.388 -10.137 1.00 0.00 C ATOM 363 O SER A 25 9.897 5.361 -11.185 1.00 0.00 O ATOM 364 CB SER A 25 10.655 4.194 -8.471 1.00 0.00 C ATOM 365 OG SER A 25 11.232 4.209 -7.170 1.00 0.00 O ATOM 0 H SER A 25 8.531 4.852 -7.354 1.00 0.00 H new ATOM 0 HA SER A 25 10.630 6.287 -8.771 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.973 3.348 -8.557 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.439 4.049 -9.215 1.00 0.00 H new ATOM 0 HG SER A 25 11.375 3.289 -6.865 1.00 0.00 H new ATOM 371 N GLY A 26 7.914 5.336 -10.108 1.00 0.00 N ATOM 372 CA GLY A 26 7.120 5.349 -11.296 1.00 0.00 C ATOM 373 C GLY A 26 6.814 3.987 -11.849 1.00 0.00 C ATOM 374 O GLY A 26 6.454 3.871 -13.025 1.00 0.00 O ATOM 0 H GLY A 26 7.371 5.283 -9.246 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.182 5.862 -11.086 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.638 5.930 -12.059 1.00 0.00 H new ATOM 378 N LEU A 27 6.970 2.954 -11.048 1.00 0.00 N ATOM 379 CA LEU A 27 6.630 1.620 -11.481 1.00 0.00 C ATOM 380 C LEU A 27 5.152 1.412 -11.430 1.00 0.00 C ATOM 381 O LEU A 27 4.455 2.154 -10.770 1.00 0.00 O ATOM 382 CB LEU A 27 7.296 0.552 -10.636 1.00 0.00 C ATOM 383 CG LEU A 27 8.798 0.350 -10.822 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.606 1.465 -10.213 1.00 0.00 C ATOM 385 CD2 LEU A 27 9.237 -0.995 -10.297 1.00 0.00 C ATOM 0 H LEU A 27 7.330 3.015 -10.095 1.00 0.00 H new ATOM 0 HA LEU A 27 6.992 1.527 -12.505 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.114 0.789 -9.588 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.800 -0.397 -10.839 1.00 0.00 H new ATOM 0 HG LEU A 27 8.990 0.373 -11.895 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.667 1.274 -10.372 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.333 2.410 -10.682 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.404 1.519 -9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.311 -1.110 -10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.006 -1.064 -9.234 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.711 -1.784 -10.834 1.00 0.00 H new ATOM 397 N GLU A 28 4.698 0.397 -12.094 1.00 0.00 N ATOM 398 CA GLU A 28 3.294 0.085 -12.135 1.00 0.00 C ATOM 399 C GLU A 28 2.926 -0.682 -10.862 1.00 0.00 C ATOM 400 O GLU A 28 3.743 -1.463 -10.325 1.00 0.00 O ATOM 401 CB GLU A 28 2.979 -0.757 -13.382 1.00 0.00 C ATOM 402 CG GLU A 28 1.491 -0.950 -13.674 1.00 0.00 C ATOM 403 CD GLU A 28 0.800 0.339 -14.063 1.00 0.00 C ATOM 404 OE1 GLU A 28 1.030 0.832 -15.191 1.00 0.00 O ATOM 405 OE2 GLU A 28 -0.023 0.865 -13.291 1.00 0.00 O ATOM 0 H GLU A 28 5.287 -0.244 -12.626 1.00 0.00 H new ATOM 0 HA GLU A 28 2.709 1.003 -12.189 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.445 -0.286 -14.247 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.441 -1.737 -13.266 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.374 -1.677 -14.478 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.003 -1.367 -12.793 1.00 0.00 H new ATOM 412 N CYS A 29 1.760 -0.428 -10.361 1.00 0.00 N ATOM 413 CA CYS A 29 1.289 -1.076 -9.171 1.00 0.00 C ATOM 414 C CYS A 29 0.540 -2.370 -9.448 1.00 0.00 C ATOM 415 O CYS A 29 -0.095 -2.548 -10.494 1.00 0.00 O ATOM 416 CB CYS A 29 0.444 -0.124 -8.325 1.00 0.00 C ATOM 417 SG CYS A 29 -0.362 -0.874 -6.868 1.00 0.00 S ATOM 0 H CYS A 29 1.101 0.238 -10.765 1.00 0.00 H new ATOM 0 HA CYS A 29 2.177 -1.353 -8.603 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.079 0.694 -7.986 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.327 0.313 -8.960 1.00 0.00 H new ATOM 422 N GLN A 30 0.653 -3.254 -8.502 1.00 0.00 N ATOM 423 CA GLN A 30 -0.008 -4.537 -8.481 1.00 0.00 C ATOM 424 C GLN A 30 -1.389 -4.399 -7.849 1.00 0.00 C ATOM 425 O GLN A 30 -1.534 -3.789 -6.790 1.00 0.00 O ATOM 426 CB GLN A 30 0.854 -5.540 -7.689 1.00 0.00 C ATOM 427 CG GLN A 30 0.081 -6.700 -7.071 1.00 0.00 C ATOM 428 CD GLN A 30 0.957 -7.675 -6.323 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.026 -7.330 -5.826 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.484 -8.876 -6.173 1.00 0.00 N ATOM 0 H GLN A 30 1.237 -3.098 -7.680 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.132 -4.904 -9.500 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.618 -5.944 -8.353 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.373 -5.004 -6.895 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.672 -6.303 -6.390 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.452 -7.232 -7.859 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.407 -9.130 -6.599 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.004 -9.565 -5.629 1.00 0.00 H new ATOM 439 N ALA A 31 -2.389 -4.952 -8.511 1.00 0.00 N ATOM 440 CA ALA A 31 -3.745 -4.932 -8.018 1.00 0.00 C ATOM 441 C ALA A 31 -3.842 -5.648 -6.690 1.00 0.00 C ATOM 442 O ALA A 31 -3.326 -6.762 -6.532 1.00 0.00 O ATOM 443 CB ALA A 31 -4.693 -5.549 -9.025 1.00 0.00 C ATOM 0 H ALA A 31 -2.279 -5.427 -9.407 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.035 -3.892 -7.869 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.709 -5.523 -8.632 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.650 -4.986 -9.957 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.403 -6.583 -9.212 1.00 0.00 H new ATOM 449 N TRP A 32 -4.522 -5.024 -5.765 1.00 0.00 N ATOM 450 CA TRP A 32 -4.645 -5.498 -4.410 1.00 0.00 C ATOM 451 C TRP A 32 -5.286 -6.890 -4.305 1.00 0.00 C ATOM 452 O TRP A 32 -5.024 -7.622 -3.348 1.00 0.00 O ATOM 453 CB TRP A 32 -5.417 -4.489 -3.577 1.00 0.00 C ATOM 454 CG TRP A 32 -4.786 -3.120 -3.532 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.187 -2.009 -4.212 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.643 -2.718 -2.763 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.373 -0.953 -3.913 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.419 -1.356 -3.032 1.00 0.00 C ATOM 459 CE3 TRP A 32 -2.793 -3.373 -1.875 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.382 -0.639 -2.450 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -1.767 -2.657 -1.298 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.570 -1.302 -1.586 1.00 0.00 C ATOM 0 H TRP A 32 -5.019 -4.150 -5.936 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.633 -5.603 -4.020 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.427 -4.399 -3.977 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.510 -4.869 -2.559 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.027 -1.969 -4.890 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.466 -0.010 -4.291 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.935 -4.418 -1.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.227 0.406 -2.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.100 -3.153 -0.608 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.756 -0.773 -1.112 1.00 0.00 H new ATOM 473 N ASP A 33 -6.102 -7.267 -5.275 1.00 0.00 N ATOM 474 CA ASP A 33 -6.739 -8.591 -5.238 1.00 0.00 C ATOM 475 C ASP A 33 -5.923 -9.638 -5.980 1.00 0.00 C ATOM 476 O ASP A 33 -6.212 -10.830 -5.894 1.00 0.00 O ATOM 477 CB ASP A 33 -8.189 -8.583 -5.775 1.00 0.00 C ATOM 478 CG ASP A 33 -8.331 -8.252 -7.259 1.00 0.00 C ATOM 479 OD1 ASP A 33 -7.988 -9.092 -8.123 1.00 0.00 O ATOM 480 OD2 ASP A 33 -8.854 -7.165 -7.579 1.00 0.00 O ATOM 0 H ASP A 33 -6.341 -6.696 -6.085 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.779 -8.858 -4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.632 -9.562 -5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.768 -7.860 -5.201 1.00 0.00 H new ATOM 485 N SER A 34 -4.898 -9.209 -6.664 1.00 0.00 N ATOM 486 CA SER A 34 -4.110 -10.104 -7.452 1.00 0.00 C ATOM 487 C SER A 34 -2.843 -10.466 -6.704 1.00 0.00 C ATOM 488 O SER A 34 -2.177 -9.603 -6.150 1.00 0.00 O ATOM 489 CB SER A 34 -3.768 -9.454 -8.802 1.00 0.00 C ATOM 490 OG SER A 34 -3.005 -10.327 -9.627 1.00 0.00 O ATOM 0 H SER A 34 -4.591 -8.237 -6.688 1.00 0.00 H new ATOM 0 HA SER A 34 -4.680 -11.014 -7.639 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.688 -9.178 -9.317 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.210 -8.533 -8.632 1.00 0.00 H new ATOM 0 HG SER A 34 -2.807 -9.883 -10.478 1.00 0.00 H new ATOM 496 N GLN A 35 -2.494 -11.730 -6.702 1.00 0.00 N ATOM 497 CA GLN A 35 -1.281 -12.175 -6.046 1.00 0.00 C ATOM 498 C GLN A 35 -0.141 -12.204 -7.048 1.00 0.00 C ATOM 499 O GLN A 35 0.895 -12.816 -6.820 1.00 0.00 O ATOM 500 CB GLN A 35 -1.460 -13.553 -5.402 1.00 0.00 C ATOM 501 CG GLN A 35 -2.597 -13.638 -4.399 1.00 0.00 C ATOM 502 CD GLN A 35 -2.505 -12.575 -3.329 1.00 0.00 C ATOM 503 OE1 GLN A 35 -1.432 -12.113 -2.984 1.00 0.00 O ATOM 504 NE2 GLN A 35 -3.614 -12.190 -2.791 1.00 0.00 N ATOM 0 H GLN A 35 -3.032 -12.473 -7.148 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.047 -11.470 -5.248 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.631 -14.288 -6.189 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.531 -13.830 -4.903 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.548 -13.540 -4.923 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.591 -14.622 -3.930 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.498 -12.594 -3.100 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.606 -11.482 -2.057 1.00 0.00 H new ATOM 513 N SER A 36 -0.332 -11.521 -8.140 1.00 0.00 N ATOM 514 CA SER A 36 0.655 -11.432 -9.157 1.00 0.00 C ATOM 515 C SER A 36 1.174 -10.003 -9.193 1.00 0.00 C ATOM 516 O SER A 36 0.392 -9.066 -9.413 1.00 0.00 O ATOM 517 CB SER A 36 0.033 -11.792 -10.492 1.00 0.00 C ATOM 518 OG SER A 36 -0.655 -13.044 -10.420 1.00 0.00 O ATOM 0 H SER A 36 -1.189 -11.008 -8.344 1.00 0.00 H new ATOM 0 HA SER A 36 1.476 -12.120 -8.955 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.662 -11.009 -10.796 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.809 -11.844 -11.256 1.00 0.00 H new ATOM 0 HG SER A 36 -1.048 -13.252 -11.293 1.00 0.00 H new ATOM 524 N PRO A 37 2.471 -9.797 -8.918 1.00 0.00 N ATOM 525 CA PRO A 37 3.473 -10.909 -8.846 1.00 0.00 C ATOM 526 C PRO A 37 3.721 -11.353 -7.400 1.00 0.00 C ATOM 527 O PRO A 37 4.255 -12.416 -7.136 1.00 0.00 O ATOM 528 CB PRO A 37 4.735 -10.212 -9.352 1.00 0.00 C ATOM 529 CG PRO A 37 4.567 -8.848 -8.816 1.00 0.00 C ATOM 530 CD PRO A 37 3.155 -8.505 -9.108 1.00 0.00 C ATOM 0 HA PRO A 37 3.161 -11.796 -9.397 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.642 -10.688 -8.979 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.796 -10.218 -10.440 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.770 -8.814 -7.746 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.252 -8.147 -9.293 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.774 -7.740 -8.431 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.030 -8.124 -10.122 1.00 0.00 H new ATOM 538 N HIS A 38 3.350 -10.497 -6.488 1.00 0.00 N ATOM 539 CA HIS A 38 3.603 -10.705 -5.079 1.00 0.00 C ATOM 540 C HIS A 38 2.456 -11.366 -4.362 1.00 0.00 C ATOM 541 O HIS A 38 1.306 -10.874 -4.412 1.00 0.00 O ATOM 542 CB HIS A 38 3.868 -9.383 -4.402 1.00 0.00 C ATOM 543 CG HIS A 38 4.999 -8.627 -4.958 1.00 0.00 C ATOM 544 ND1 HIS A 38 4.828 -7.451 -5.620 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.327 -8.880 -4.973 1.00 0.00 C ATOM 546 CE1 HIS A 38 5.978 -7.012 -6.021 1.00 0.00 C ATOM 547 NE2 HIS A 38 6.909 -7.855 -5.646 1.00 0.00 N ATOM 0 H HIS A 38 2.860 -9.628 -6.698 1.00 0.00 H new ATOM 0 HA HIS A 38 4.468 -11.366 -5.023 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.970 -8.769 -4.469 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.054 -9.563 -3.343 1.00 0.00 H new ATOM 0 HD1 HIS A 38 3.933 -6.987 -5.776 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.827 -9.731 -4.535 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.143 -6.100 -6.575 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.907 -7.757 -5.830 1.00 0.00 H new ATOM 556 N ALA A 39 2.772 -12.417 -3.649 1.00 0.00 N ATOM 557 CA ALA A 39 1.814 -13.101 -2.819 1.00 0.00 C ATOM 558 C ALA A 39 1.727 -12.310 -1.542 1.00 0.00 C ATOM 559 O ALA A 39 2.698 -12.236 -0.765 1.00 0.00 O ATOM 560 CB ALA A 39 2.256 -14.527 -2.552 1.00 0.00 C ATOM 0 H ALA A 39 3.707 -12.824 -3.628 1.00 0.00 H new ATOM 0 HA ALA A 39 0.840 -13.166 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.518 -15.025 -1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.348 -15.062 -3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.220 -14.520 -2.044 1.00 0.00 H new ATOM 566 N HIS A 40 0.618 -11.672 -1.341 1.00 0.00 N ATOM 567 CA HIS A 40 0.496 -10.718 -0.260 1.00 0.00 C ATOM 568 C HIS A 40 -0.816 -10.910 0.492 1.00 0.00 C ATOM 569 O HIS A 40 -1.819 -11.326 -0.095 1.00 0.00 O ATOM 570 CB HIS A 40 0.603 -9.278 -0.828 1.00 0.00 C ATOM 571 CG HIS A 40 -0.580 -8.836 -1.641 1.00 0.00 C ATOM 572 ND1 HIS A 40 -0.857 -9.281 -2.900 1.00 0.00 N ATOM 573 CD2 HIS A 40 -1.589 -8.024 -1.310 1.00 0.00 C ATOM 574 CE1 HIS A 40 -1.996 -8.758 -3.288 1.00 0.00 C ATOM 575 NE2 HIS A 40 -2.454 -7.992 -2.342 1.00 0.00 N ATOM 0 H HIS A 40 -0.223 -11.787 -1.906 1.00 0.00 H new ATOM 0 HA HIS A 40 1.307 -10.882 0.450 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.737 -8.584 0.001 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.498 -9.211 -1.447 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -0.276 -9.915 -3.449 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.692 -7.488 -0.378 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.476 -8.935 -4.239 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.322 -7.457 -2.376 1.00 0.00 H new ATOM 584 N GLY A 41 -0.825 -10.531 1.751 1.00 0.00 N ATOM 585 CA GLY A 41 -1.980 -10.723 2.582 1.00 0.00 C ATOM 586 C GLY A 41 -2.911 -9.533 2.645 1.00 0.00 C ATOM 587 O GLY A 41 -3.737 -9.440 3.551 1.00 0.00 O ATOM 0 H GLY A 41 -0.036 -10.085 2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.537 -11.585 2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.649 -10.964 3.592 1.00 0.00 H new ATOM 591 N TYR A 42 -2.829 -8.629 1.686 1.00 0.00 N ATOM 592 CA TYR A 42 -3.728 -7.497 1.704 1.00 0.00 C ATOM 593 C TYR A 42 -4.864 -7.835 0.810 1.00 0.00 C ATOM 594 O TYR A 42 -4.870 -7.494 -0.371 1.00 0.00 O ATOM 595 CB TYR A 42 -3.093 -6.149 1.281 1.00 0.00 C ATOM 596 CG TYR A 42 -1.983 -5.620 2.167 1.00 0.00 C ATOM 597 CD1 TYR A 42 -0.744 -6.238 2.229 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.169 -4.463 2.910 1.00 0.00 C ATOM 599 CE1 TYR A 42 0.272 -5.722 3.010 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.160 -3.947 3.696 1.00 0.00 C ATOM 601 CZ TYR A 42 0.054 -4.582 3.743 1.00 0.00 C ATOM 602 OH TYR A 42 1.068 -4.062 4.497 1.00 0.00 O ATOM 0 H TYR A 42 -2.170 -8.655 0.908 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.038 -7.334 2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.700 -6.259 0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.882 -5.398 1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.570 -7.138 1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.122 -3.957 2.872 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.233 -6.213 3.044 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.325 -3.048 4.271 1.00 0.00 H new ATOM 0 HH TYR A 42 0.754 -3.254 4.955 1.00 0.00 H new ATOM 612 N ILE A 43 -5.723 -8.650 1.328 1.00 0.00 N ATOM 613 CA ILE A 43 -6.887 -9.081 0.617 1.00 0.00 C ATOM 614 C ILE A 43 -8.003 -8.050 0.827 1.00 0.00 C ATOM 615 O ILE A 43 -8.359 -7.742 1.961 1.00 0.00 O ATOM 616 CB ILE A 43 -7.349 -10.469 1.142 1.00 0.00 C ATOM 617 CG1 ILE A 43 -6.153 -11.442 1.211 1.00 0.00 C ATOM 618 CG2 ILE A 43 -8.461 -11.053 0.267 1.00 0.00 C ATOM 619 CD1 ILE A 43 -5.481 -11.723 -0.116 1.00 0.00 C ATOM 0 H ILE A 43 -5.638 -9.041 2.266 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.656 -9.169 -0.445 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.750 -10.331 2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.411 -11.034 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.496 -12.386 1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.762 -12.024 0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.318 -10.379 0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.096 -11.172 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.653 -12.416 0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.203 -12.164 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.102 -10.791 -0.536 1.00 0.00 H new ATOM 631 N PRO A 44 -8.583 -7.520 -0.253 1.00 0.00 N ATOM 632 CA PRO A 44 -9.657 -6.503 -0.175 1.00 0.00 C ATOM 633 C PRO A 44 -10.919 -7.011 0.538 1.00 0.00 C ATOM 634 O PRO A 44 -11.759 -6.228 0.967 1.00 0.00 O ATOM 635 CB PRO A 44 -9.973 -6.216 -1.640 1.00 0.00 C ATOM 636 CG PRO A 44 -8.768 -6.647 -2.389 1.00 0.00 C ATOM 637 CD PRO A 44 -8.219 -7.816 -1.648 1.00 0.00 C ATOM 0 HA PRO A 44 -9.339 -5.634 0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.857 -6.764 -1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.178 -5.157 -1.799 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.022 -6.919 -3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.035 -5.842 -2.445 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.658 -8.753 -1.990 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.140 -7.904 -1.774 1.00 0.00 H new ATOM 645 N SER A 45 -11.026 -8.319 0.676 1.00 0.00 N ATOM 646 CA SER A 45 -12.156 -8.937 1.315 1.00 0.00 C ATOM 647 C SER A 45 -11.986 -8.908 2.830 1.00 0.00 C ATOM 648 O SER A 45 -12.960 -8.967 3.582 1.00 0.00 O ATOM 649 CB SER A 45 -12.274 -10.377 0.828 1.00 0.00 C ATOM 650 OG SER A 45 -12.248 -10.419 -0.594 1.00 0.00 O ATOM 0 H SER A 45 -10.324 -8.980 0.344 1.00 0.00 H new ATOM 0 HA SER A 45 -13.063 -8.389 1.061 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.456 -10.973 1.232 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.201 -10.818 1.195 1.00 0.00 H new ATOM 0 HG SER A 45 -12.323 -11.349 -0.895 1.00 0.00 H new ATOM 656 N LYS A 46 -10.745 -8.816 3.290 1.00 0.00 N ATOM 657 CA LYS A 46 -10.491 -8.802 4.682 1.00 0.00 C ATOM 658 C LYS A 46 -10.332 -7.367 5.165 1.00 0.00 C ATOM 659 O LYS A 46 -10.453 -7.080 6.357 1.00 0.00 O ATOM 660 CB LYS A 46 -9.289 -9.686 5.008 1.00 0.00 C ATOM 661 CG LYS A 46 -7.931 -9.173 4.558 1.00 0.00 C ATOM 662 CD LYS A 46 -6.828 -10.210 4.770 1.00 0.00 C ATOM 663 CE LYS A 46 -6.538 -10.465 6.241 1.00 0.00 C ATOM 664 NZ LYS A 46 -5.604 -11.586 6.421 1.00 0.00 N ATOM 0 H LYS A 46 -9.914 -8.751 2.701 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.339 -9.224 5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.257 -9.835 6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.452 -10.664 4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.977 -8.903 3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.686 -8.265 5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.119 -11.146 4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.917 -9.871 4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.119 -9.565 6.691 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.470 -10.679 6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.428 -11.732 7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.015 -12.450 6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.706 -11.370 5.942 1.00 0.00 H new ATOM 678 N PHE A 47 -10.068 -6.470 4.224 1.00 0.00 N ATOM 679 CA PHE A 47 -9.987 -5.044 4.513 1.00 0.00 C ATOM 680 C PHE A 47 -10.882 -4.273 3.517 1.00 0.00 C ATOM 681 O PHE A 47 -10.388 -3.695 2.545 1.00 0.00 O ATOM 682 CB PHE A 47 -8.532 -4.520 4.423 1.00 0.00 C ATOM 683 CG PHE A 47 -7.518 -5.318 5.209 1.00 0.00 C ATOM 684 CD1 PHE A 47 -7.625 -5.452 6.584 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.456 -5.933 4.563 1.00 0.00 C ATOM 686 CE1 PHE A 47 -6.698 -6.186 7.296 1.00 0.00 C ATOM 687 CE2 PHE A 47 -5.523 -6.667 5.272 1.00 0.00 C ATOM 688 CZ PHE A 47 -5.646 -6.794 6.641 1.00 0.00 C ATOM 0 H PHE A 47 -9.905 -6.708 3.246 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.332 -4.884 5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.230 -4.508 3.376 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.511 -3.488 4.773 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.443 -4.977 7.105 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.356 -5.837 3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.796 -6.285 8.367 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.700 -7.140 4.756 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.921 -7.368 7.199 1.00 0.00 H new ATOM 698 N PRO A 48 -12.218 -4.322 3.696 1.00 0.00 N ATOM 699 CA PRO A 48 -13.159 -3.659 2.784 1.00 0.00 C ATOM 700 C PRO A 48 -13.267 -2.157 3.056 1.00 0.00 C ATOM 701 O PRO A 48 -13.335 -1.340 2.139 1.00 0.00 O ATOM 702 CB PRO A 48 -14.481 -4.363 3.096 1.00 0.00 C ATOM 703 CG PRO A 48 -14.372 -4.716 4.536 1.00 0.00 C ATOM 704 CD PRO A 48 -12.925 -5.042 4.780 1.00 0.00 C ATOM 0 HA PRO A 48 -12.853 -3.732 1.740 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -15.334 -3.711 2.909 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.616 -5.250 2.477 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.696 -3.887 5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.009 -5.567 4.777 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.599 -4.705 5.764 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.743 -6.116 4.734 1.00 0.00 H new ATOM 712 N ASN A 49 -13.221 -1.812 4.333 1.00 0.00 N ATOM 713 CA ASN A 49 -13.344 -0.443 4.838 1.00 0.00 C ATOM 714 C ASN A 49 -12.191 0.451 4.390 1.00 0.00 C ATOM 715 O ASN A 49 -12.258 1.668 4.512 1.00 0.00 O ATOM 716 CB ASN A 49 -13.408 -0.449 6.380 1.00 0.00 C ATOM 717 CG ASN A 49 -12.148 -1.020 7.061 1.00 0.00 C ATOM 718 OD1 ASN A 49 -11.474 -1.908 6.529 1.00 0.00 O ATOM 719 ND2 ASN A 49 -11.817 -0.515 8.225 1.00 0.00 N ATOM 0 H ASN A 49 -13.093 -2.498 5.077 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.265 -0.035 4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.566 0.571 6.730 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.274 -1.032 6.695 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.987 -0.855 8.711 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.389 0.218 8.644 1.00 0.00 H new ATOM 726 N LYS A 50 -11.144 -0.152 3.895 1.00 0.00 N ATOM 727 CA LYS A 50 -9.985 0.566 3.459 1.00 0.00 C ATOM 728 C LYS A 50 -10.064 0.859 1.958 1.00 0.00 C ATOM 729 O LYS A 50 -9.213 1.554 1.417 1.00 0.00 O ATOM 730 CB LYS A 50 -8.754 -0.263 3.800 1.00 0.00 C ATOM 731 CG LYS A 50 -8.594 -0.536 5.300 1.00 0.00 C ATOM 732 CD LYS A 50 -8.220 0.725 6.084 1.00 0.00 C ATOM 733 CE LYS A 50 -8.230 0.476 7.589 1.00 0.00 C ATOM 734 NZ LYS A 50 -7.336 1.414 8.314 1.00 0.00 N ATOM 0 H LYS A 50 -11.074 -1.164 3.784 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.925 1.528 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.808 -1.214 3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.866 0.254 3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.525 -0.943 5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.826 -1.295 5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.230 1.064 5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.920 1.525 5.843 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.247 0.580 7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.919 -0.549 7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.320 1.167 9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.374 1.346 7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.687 2.386 8.201 1.00 0.00 H new ATOM 748 N ASN A 51 -11.121 0.324 1.318 1.00 0.00 N ATOM 749 CA ASN A 51 -11.412 0.472 -0.132 1.00 0.00 C ATOM 750 C ASN A 51 -10.202 0.071 -0.951 1.00 0.00 C ATOM 751 O ASN A 51 -9.709 0.825 -1.798 1.00 0.00 O ATOM 752 CB ASN A 51 -11.832 1.900 -0.490 1.00 0.00 C ATOM 753 CG ASN A 51 -12.781 1.941 -1.674 1.00 0.00 C ATOM 754 OD1 ASN A 51 -13.988 1.783 -1.513 1.00 0.00 O ATOM 755 ND2 ASN A 51 -12.278 2.207 -2.837 1.00 0.00 N ATOM 0 H ASN A 51 -11.819 -0.240 1.803 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.248 -0.188 -0.365 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -12.311 2.363 0.373 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.945 2.491 -0.717 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.889 2.290 -3.650 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.271 2.333 -2.940 1.00 0.00 H new ATOM 762 N LEU A 52 -9.719 -1.099 -0.669 1.00 0.00 N ATOM 763 CA LEU A 52 -8.538 -1.622 -1.288 1.00 0.00 C ATOM 764 C LEU A 52 -8.881 -2.114 -2.708 1.00 0.00 C ATOM 765 O LEU A 52 -9.169 -3.302 -2.922 1.00 0.00 O ATOM 766 CB LEU A 52 -8.009 -2.753 -0.412 1.00 0.00 C ATOM 767 CG LEU A 52 -6.546 -3.087 -0.541 1.00 0.00 C ATOM 768 CD1 LEU A 52 -5.695 -1.934 -0.024 1.00 0.00 C ATOM 769 CD2 LEU A 52 -6.231 -4.362 0.209 1.00 0.00 C ATOM 0 H LEU A 52 -10.142 -1.731 0.011 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.768 -0.857 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.208 -2.498 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.583 -3.652 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.312 -3.242 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.640 -2.188 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.908 -1.036 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.928 -1.752 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.170 -4.591 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.475 -4.234 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.821 -5.181 -0.203 1.00 0.00 H new ATOM 781 N LYS A 53 -8.925 -1.202 -3.662 1.00 0.00 N ATOM 782 CA LYS A 53 -9.368 -1.560 -4.987 1.00 0.00 C ATOM 783 C LYS A 53 -8.357 -1.261 -6.058 1.00 0.00 C ATOM 784 O LYS A 53 -7.528 -0.347 -5.931 1.00 0.00 O ATOM 785 CB LYS A 53 -10.689 -0.890 -5.334 1.00 0.00 C ATOM 786 CG LYS A 53 -11.796 -1.156 -4.336 1.00 0.00 C ATOM 787 CD LYS A 53 -13.076 -0.465 -4.736 1.00 0.00 C ATOM 788 CE LYS A 53 -14.147 -0.682 -3.696 1.00 0.00 C ATOM 789 NZ LYS A 53 -15.425 -0.052 -4.069 1.00 0.00 N ATOM 0 H LYS A 53 -8.663 -0.224 -3.543 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.504 -2.641 -4.960 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.531 0.186 -5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.011 -1.232 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.969 -2.230 -4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.488 -0.812 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.895 0.603 -4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.415 -0.846 -5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.300 -1.752 -3.553 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.810 -0.278 -2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.129 -0.228 -3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.287 0.973 -4.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.762 -0.455 -4.966 1.00 0.00 H new ATOM 803 N LYS A 54 -8.485 -2.027 -7.129 1.00 0.00 N ATOM 804 CA LYS A 54 -7.645 -1.968 -8.311 1.00 0.00 C ATOM 805 C LYS A 54 -6.172 -2.048 -7.928 1.00 0.00 C ATOM 806 O LYS A 54 -5.794 -2.829 -7.060 1.00 0.00 O ATOM 807 CB LYS A 54 -7.970 -0.702 -9.142 1.00 0.00 C ATOM 808 CG LYS A 54 -9.424 -0.610 -9.622 1.00 0.00 C ATOM 809 CD LYS A 54 -9.786 -1.747 -10.566 1.00 0.00 C ATOM 810 CE LYS A 54 -11.231 -1.652 -11.041 1.00 0.00 C ATOM 811 NZ LYS A 54 -11.501 -0.436 -11.858 1.00 0.00 N ATOM 0 H LYS A 54 -9.212 -2.739 -7.200 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.857 -2.831 -8.942 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.743 0.179 -8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.312 -0.674 -10.010 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.092 -0.627 -8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.579 0.344 -10.127 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.119 -1.730 -11.428 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.631 -2.701 -10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.473 -2.538 -11.629 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.892 -1.654 -10.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.457 -0.495 -12.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.431 0.409 -11.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.803 -0.372 -12.626 1.00 0.00 H new ATOM 825 N ASN A 55 -5.369 -1.285 -8.592 1.00 0.00 N ATOM 826 CA ASN A 55 -3.952 -1.216 -8.350 1.00 0.00 C ATOM 827 C ASN A 55 -3.616 0.247 -8.110 1.00 0.00 C ATOM 828 O ASN A 55 -2.621 0.787 -8.584 1.00 0.00 O ATOM 829 CB ASN A 55 -3.208 -1.832 -9.564 1.00 0.00 C ATOM 830 CG ASN A 55 -3.484 -1.144 -10.888 1.00 0.00 C ATOM 831 OD1 ASN A 55 -2.603 -0.297 -11.301 1.00 0.00 O flip ATOM 832 ND2 ASN A 55 -4.479 -1.439 -11.563 1.00 0.00 N flip ATOM 0 H ASN A 55 -5.683 -0.670 -9.343 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.639 -1.787 -7.476 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.136 -1.802 -9.370 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.487 -2.882 -9.650 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.156 -2.113 -11.206 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.622 -1.008 -12.476 1.00 0.00 H new ATOM 839 N TYR A 56 -4.501 0.866 -7.352 1.00 0.00 N ATOM 840 CA TYR A 56 -4.435 2.262 -6.990 1.00 0.00 C ATOM 841 C TYR A 56 -3.638 2.432 -5.724 1.00 0.00 C ATOM 842 O TYR A 56 -3.709 1.573 -4.847 1.00 0.00 O ATOM 843 CB TYR A 56 -5.864 2.772 -6.783 1.00 0.00 C ATOM 844 CG TYR A 56 -6.707 2.825 -8.050 1.00 0.00 C ATOM 845 CD1 TYR A 56 -6.128 2.987 -9.321 1.00 0.00 C ATOM 846 CD2 TYR A 56 -8.085 2.722 -7.975 1.00 0.00 C ATOM 847 CE1 TYR A 56 -6.914 3.045 -10.456 1.00 0.00 C ATOM 848 CE2 TYR A 56 -8.867 2.780 -9.107 1.00 0.00 C ATOM 849 CZ TYR A 56 -8.281 2.942 -10.341 1.00 0.00 C ATOM 850 OH TYR A 56 -9.069 2.992 -11.470 1.00 0.00 O ATOM 0 H TYR A 56 -5.313 0.390 -6.959 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.945 2.830 -7.781 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.363 2.131 -6.057 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.820 3.771 -6.349 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.055 3.067 -9.411 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.556 2.594 -7.011 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.458 3.170 -11.427 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.941 2.698 -9.026 1.00 0.00 H new ATOM 0 HH TYR A 56 -10.011 2.904 -11.215 1.00 0.00 H new ATOM 860 N CYS A 57 -2.893 3.535 -5.603 1.00 0.00 N ATOM 861 CA CYS A 57 -2.086 3.736 -4.399 1.00 0.00 C ATOM 862 C CYS A 57 -2.992 3.998 -3.222 1.00 0.00 C ATOM 863 O CYS A 57 -3.678 5.019 -3.166 1.00 0.00 O ATOM 864 CB CYS A 57 -1.105 4.884 -4.544 1.00 0.00 C ATOM 865 SG CYS A 57 0.082 4.735 -5.922 1.00 0.00 S ATOM 0 H CYS A 57 -2.832 4.279 -6.299 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.506 2.827 -4.241 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.670 5.807 -4.672 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.545 4.980 -3.614 1.00 0.00 H new ATOM 870 N ARG A 58 -2.999 3.094 -2.289 1.00 0.00 N ATOM 871 CA ARG A 58 -3.902 3.177 -1.173 1.00 0.00 C ATOM 872 C ARG A 58 -3.110 3.082 0.110 1.00 0.00 C ATOM 873 O ARG A 58 -1.917 2.773 0.081 1.00 0.00 O ATOM 874 CB ARG A 58 -4.983 2.051 -1.257 1.00 0.00 C ATOM 875 CG ARG A 58 -5.823 2.063 -2.548 1.00 0.00 C ATOM 876 CD ARG A 58 -6.605 3.372 -2.742 1.00 0.00 C ATOM 877 NE ARG A 58 -7.894 3.425 -2.011 1.00 0.00 N ATOM 878 CZ ARG A 58 -8.110 3.901 -0.769 1.00 0.00 C ATOM 879 NH1 ARG A 58 -7.109 4.292 -0.003 1.00 0.00 N ATOM 880 NH2 ARG A 58 -9.342 4.041 -0.332 1.00 0.00 N ATOM 0 H ARG A 58 -2.384 2.281 -2.276 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.426 4.133 -1.195 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.488 1.084 -1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.653 2.144 -0.402 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.166 1.908 -3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.523 1.227 -2.528 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.982 4.206 -2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.797 3.513 -3.806 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.709 3.060 -2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.151 4.237 -0.348 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.294 4.649 0.934 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.128 3.790 -0.932 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.512 4.401 0.607 1.00 0.00 H new ATOM 894 N ASN A 59 -3.741 3.388 1.209 1.00 0.00 N ATOM 895 CA ASN A 59 -3.120 3.282 2.511 1.00 0.00 C ATOM 896 C ASN A 59 -4.101 2.577 3.414 1.00 0.00 C ATOM 897 O ASN A 59 -4.979 3.208 3.975 1.00 0.00 O ATOM 898 CB ASN A 59 -2.801 4.677 3.113 1.00 0.00 C ATOM 899 CG ASN A 59 -2.033 4.628 4.448 1.00 0.00 C ATOM 900 OD1 ASN A 59 -2.033 3.624 5.163 1.00 0.00 O ATOM 901 ND2 ASN A 59 -1.466 5.744 4.837 1.00 0.00 N ATOM 0 H ASN A 59 -4.705 3.720 1.233 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.179 2.739 2.418 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.216 5.247 2.391 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.735 5.218 3.264 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.012 5.794 5.749 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.479 6.562 4.228 1.00 0.00 H new ATOM 908 N PRO A 60 -4.066 1.262 3.465 1.00 0.00 N ATOM 909 CA PRO A 60 -4.931 0.534 4.360 1.00 0.00 C ATOM 910 C PRO A 60 -4.342 0.460 5.776 1.00 0.00 C ATOM 911 O PRO A 60 -5.033 0.689 6.771 1.00 0.00 O ATOM 912 CB PRO A 60 -5.004 -0.857 3.723 1.00 0.00 C ATOM 913 CG PRO A 60 -3.711 -1.016 2.980 1.00 0.00 C ATOM 914 CD PRO A 60 -3.236 0.369 2.616 1.00 0.00 C ATOM 0 HA PRO A 60 -5.907 1.005 4.479 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.121 -1.632 4.481 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.858 -0.938 3.050 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.972 -1.527 3.597 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.853 -1.622 2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.173 0.495 2.823 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.381 0.576 1.556 1.00 0.00 H new ATOM 922 N ASP A 61 -3.058 0.194 5.811 1.00 0.00 N ATOM 923 CA ASP A 61 -2.237 -0.054 7.001 1.00 0.00 C ATOM 924 C ASP A 61 -2.342 1.006 8.074 1.00 0.00 C ATOM 925 O ASP A 61 -2.373 0.684 9.262 1.00 0.00 O ATOM 926 CB ASP A 61 -0.771 -0.044 6.601 1.00 0.00 C ATOM 927 CG ASP A 61 -0.407 -0.927 5.472 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.836 -0.637 4.359 1.00 0.00 O ATOM 929 OD2 ASP A 61 0.403 -1.857 5.666 1.00 0.00 O ATOM 0 H ASP A 61 -2.508 0.138 4.954 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.600 -1.003 7.396 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.491 0.978 6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.175 -0.329 7.468 1.00 0.00 H new ATOM 934 N ARG A 62 -2.433 2.250 7.630 1.00 0.00 N ATOM 935 CA ARG A 62 -2.183 3.460 8.427 1.00 0.00 C ATOM 936 C ARG A 62 -0.700 3.681 8.444 1.00 0.00 C ATOM 937 O ARG A 62 -0.071 3.928 9.491 1.00 0.00 O ATOM 938 CB ARG A 62 -2.758 3.510 9.863 1.00 0.00 C ATOM 939 CG ARG A 62 -4.256 3.658 9.961 1.00 0.00 C ATOM 940 CD ARG A 62 -4.659 4.037 11.378 1.00 0.00 C ATOM 941 NE ARG A 62 -4.240 3.048 12.376 1.00 0.00 N ATOM 942 CZ ARG A 62 -3.699 3.325 13.563 1.00 0.00 C ATOM 943 NH1 ARG A 62 -3.485 4.593 13.930 1.00 0.00 N ATOM 944 NH2 ARG A 62 -3.394 2.329 14.389 1.00 0.00 N ATOM 0 H ARG A 62 -2.693 2.462 6.667 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.738 4.258 7.934 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.466 2.598 10.384 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.293 4.342 10.392 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.599 4.421 9.262 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.740 2.724 9.676 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.223 5.004 11.628 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.742 4.154 11.423 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.374 2.064 12.142 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.736 5.355 13.301 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.071 4.798 14.839 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.574 1.364 14.113 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.980 2.530 15.299 1.00 0.00 H new ATOM 958 N ASP A 63 -0.138 3.526 7.269 1.00 0.00 N ATOM 959 CA ASP A 63 1.250 3.766 7.002 1.00 0.00 C ATOM 960 C ASP A 63 1.456 5.289 6.972 1.00 0.00 C ATOM 961 O ASP A 63 0.502 6.053 7.229 1.00 0.00 O ATOM 962 CB ASP A 63 1.612 3.116 5.642 1.00 0.00 C ATOM 963 CG ASP A 63 3.080 2.834 5.480 1.00 0.00 C ATOM 964 OD1 ASP A 63 3.874 3.772 5.368 1.00 0.00 O ATOM 965 OD2 ASP A 63 3.459 1.642 5.478 1.00 0.00 O ATOM 0 H ASP A 63 -0.658 3.218 6.447 1.00 0.00 H new ATOM 0 HA ASP A 63 1.895 3.332 7.766 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.058 2.183 5.536 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.286 3.774 4.836 1.00 0.00 H new ATOM 970 N LEU A 64 2.633 5.733 6.643 1.00 0.00 N ATOM 971 CA LEU A 64 2.967 7.153 6.653 1.00 0.00 C ATOM 972 C LEU A 64 2.190 7.861 5.573 1.00 0.00 C ATOM 973 O LEU A 64 1.636 8.949 5.770 1.00 0.00 O ATOM 974 CB LEU A 64 4.456 7.321 6.386 1.00 0.00 C ATOM 975 CG LEU A 64 5.017 8.750 6.473 1.00 0.00 C ATOM 976 CD1 LEU A 64 4.848 9.328 7.875 1.00 0.00 C ATOM 977 CD2 LEU A 64 6.480 8.770 6.061 1.00 0.00 C ATOM 0 H LEU A 64 3.403 5.128 6.356 1.00 0.00 H new ATOM 0 HA LEU A 64 2.714 7.578 7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.001 6.698 7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.669 6.932 5.390 1.00 0.00 H new ATOM 0 HG LEU A 64 4.450 9.376 5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.255 10.339 7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.789 9.355 8.132 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.379 8.703 8.593 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.863 9.788 6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.054 8.122 6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.574 8.414 5.035 1.00 0.00 H new ATOM 989 N ARG A 65 2.145 7.220 4.459 1.00 0.00 N ATOM 990 CA ARG A 65 1.485 7.717 3.287 1.00 0.00 C ATOM 991 C ARG A 65 1.136 6.535 2.419 1.00 0.00 C ATOM 992 O ARG A 65 1.699 5.456 2.629 1.00 0.00 O ATOM 993 CB ARG A 65 2.394 8.712 2.531 1.00 0.00 C ATOM 994 CG ARG A 65 3.776 8.177 2.183 1.00 0.00 C ATOM 995 CD ARG A 65 4.562 9.199 1.390 1.00 0.00 C ATOM 996 NE ARG A 65 5.960 8.790 1.175 1.00 0.00 N ATOM 997 CZ ARG A 65 6.705 9.126 0.112 1.00 0.00 C ATOM 998 NH1 ARG A 65 6.165 9.778 -0.916 1.00 0.00 N ATOM 999 NH2 ARG A 65 7.990 8.804 0.079 1.00 0.00 N ATOM 0 H ARG A 65 2.578 6.306 4.326 1.00 0.00 H new ATOM 0 HA ARG A 65 0.579 8.257 3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.894 9.012 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.510 9.610 3.138 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.315 7.926 3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.681 7.257 1.606 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.080 9.355 0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.543 10.154 1.914 1.00 0.00 H new ATOM 0 HE ARG A 65 6.395 8.206 1.889 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.176 10.026 -0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.741 10.029 -1.720 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.410 8.302 0.861 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.559 9.058 -0.728 1.00 0.00 H new ATOM 1013 N PRO A 66 0.170 6.676 1.483 1.00 0.00 N ATOM 1014 CA PRO A 66 -0.198 5.599 0.571 1.00 0.00 C ATOM 1015 C PRO A 66 0.971 5.079 -0.234 1.00 0.00 C ATOM 1016 O PRO A 66 1.955 5.793 -0.528 1.00 0.00 O ATOM 1017 CB PRO A 66 -1.242 6.225 -0.340 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.833 7.284 0.502 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.676 7.864 1.264 1.00 0.00 C ATOM 0 HA PRO A 66 -0.564 4.729 1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.793 6.634 -1.245 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.990 5.497 -0.655 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.326 8.043 -0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.586 6.878 1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.157 8.635 0.695 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.992 8.319 2.203 1.00 0.00 H new ATOM 1027 N TRP A 67 0.838 3.874 -0.622 1.00 0.00 N ATOM 1028 CA TRP A 67 1.860 3.151 -1.270 1.00 0.00 C ATOM 1029 C TRP A 67 1.198 2.168 -2.195 1.00 0.00 C ATOM 1030 O TRP A 67 -0.036 2.183 -2.319 1.00 0.00 O ATOM 1031 CB TRP A 67 2.743 2.444 -0.210 1.00 0.00 C ATOM 1032 CG TRP A 67 1.959 1.539 0.703 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.287 1.895 1.843 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.761 0.137 0.545 1.00 0.00 C ATOM 1035 NE1 TRP A 67 0.673 0.799 2.378 1.00 0.00 N ATOM 1036 CE2 TRP A 67 0.950 -0.289 1.602 1.00 0.00 C ATOM 1037 CE3 TRP A 67 2.186 -0.798 -0.394 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 0.558 -1.607 1.742 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 1.799 -2.101 -0.249 1.00 0.00 C ATOM 1040 CH2 TRP A 67 0.989 -2.494 0.812 1.00 0.00 C ATOM 0 H TRP A 67 -0.021 3.339 -0.493 1.00 0.00 H new ATOM 0 HA TRP A 67 2.513 3.805 -1.849 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.512 1.861 -0.717 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.256 3.197 0.388 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.249 2.892 2.256 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.100 0.794 3.222 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.811 -0.499 -1.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -0.070 -1.919 2.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 2.127 -2.836 -0.969 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.697 -3.530 0.897 1.00 0.00 H new ATOM 1051 N CYS A 68 1.969 1.342 -2.838 1.00 0.00 N ATOM 1052 CA CYS A 68 1.417 0.372 -3.719 1.00 0.00 C ATOM 1053 C CYS A 68 2.410 -0.752 -3.909 1.00 0.00 C ATOM 1054 O CYS A 68 3.628 -0.552 -3.718 1.00 0.00 O ATOM 1055 CB CYS A 68 1.074 1.018 -5.061 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.609 0.670 -5.614 1.00 0.00 S ATOM 0 H CYS A 68 2.986 1.326 -2.764 1.00 0.00 H new ATOM 0 HA CYS A 68 0.500 -0.032 -3.290 1.00 0.00 H new ATOM 0 HB2 CYS A 68 1.207 2.097 -4.981 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.777 0.666 -5.816 1.00 0.00 H new ATOM 1061 N PHE A 69 1.915 -1.933 -4.223 1.00 0.00 N ATOM 1062 CA PHE A 69 2.781 -3.042 -4.525 1.00 0.00 C ATOM 1063 C PHE A 69 3.281 -2.879 -5.927 1.00 0.00 C ATOM 1064 O PHE A 69 2.579 -2.352 -6.770 1.00 0.00 O ATOM 1065 CB PHE A 69 2.070 -4.386 -4.382 1.00 0.00 C ATOM 1066 CG PHE A 69 1.915 -4.883 -2.977 1.00 0.00 C ATOM 1067 CD1 PHE A 69 3.009 -5.374 -2.288 1.00 0.00 C ATOM 1068 CD2 PHE A 69 0.689 -4.876 -2.352 1.00 0.00 C ATOM 1069 CE1 PHE A 69 2.887 -5.846 -1.000 1.00 0.00 C ATOM 1070 CE2 PHE A 69 0.557 -5.351 -1.063 1.00 0.00 C ATOM 1071 CZ PHE A 69 1.658 -5.835 -0.386 1.00 0.00 C ATOM 0 H PHE A 69 0.918 -2.143 -4.274 1.00 0.00 H new ATOM 0 HA PHE A 69 3.606 -3.041 -3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.081 -4.304 -4.832 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.620 -5.132 -4.955 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.976 -5.388 -2.769 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.177 -4.496 -2.874 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.753 -6.223 -0.475 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.410 -5.344 -0.583 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.554 -6.204 0.624 1.00 0.00 H new ATOM 1081 N THR A 70 4.462 -3.302 -6.182 1.00 0.00 N ATOM 1082 CA THR A 70 5.030 -3.151 -7.486 1.00 0.00 C ATOM 1083 C THR A 70 4.684 -4.339 -8.387 1.00 0.00 C ATOM 1084 O THR A 70 4.385 -5.436 -7.899 1.00 0.00 O ATOM 1085 CB THR A 70 6.548 -3.020 -7.343 1.00 0.00 C ATOM 1086 OG1 THR A 70 6.995 -3.981 -6.379 1.00 0.00 O ATOM 1087 CG2 THR A 70 6.938 -1.623 -6.897 1.00 0.00 C ATOM 0 H THR A 70 5.068 -3.762 -5.502 1.00 0.00 H new ATOM 0 HA THR A 70 4.616 -2.258 -7.953 1.00 0.00 H new ATOM 0 HB THR A 70 7.016 -3.202 -8.310 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.515 -4.679 -6.830 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.022 -1.560 -6.804 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.594 -0.897 -7.633 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.478 -1.407 -5.933 1.00 0.00 H new ATOM 1095 N THR A 71 4.666 -4.118 -9.685 1.00 0.00 N ATOM 1096 CA THR A 71 4.541 -5.203 -10.615 1.00 0.00 C ATOM 1097 C THR A 71 5.905 -5.884 -10.802 1.00 0.00 C ATOM 1098 O THR A 71 5.999 -7.009 -11.305 1.00 0.00 O ATOM 1099 CB THR A 71 3.964 -4.721 -11.960 1.00 0.00 C ATOM 1100 OG1 THR A 71 4.603 -3.497 -12.361 1.00 0.00 O ATOM 1101 CG2 THR A 71 2.460 -4.513 -11.866 1.00 0.00 C ATOM 0 H THR A 71 4.737 -3.195 -10.113 1.00 0.00 H new ATOM 0 HA THR A 71 3.840 -5.933 -10.211 1.00 0.00 H new ATOM 0 HB THR A 71 4.157 -5.490 -12.707 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.666 -3.466 -13.338 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.079 -4.173 -12.829 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.979 -5.453 -11.597 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.243 -3.764 -11.105 1.00 0.00 H new ATOM 1109 N ASP A 72 6.949 -5.196 -10.347 1.00 0.00 N ATOM 1110 CA ASP A 72 8.289 -5.694 -10.374 1.00 0.00 C ATOM 1111 C ASP A 72 8.463 -6.580 -9.177 1.00 0.00 C ATOM 1112 O ASP A 72 8.087 -6.190 -8.077 1.00 0.00 O ATOM 1113 CB ASP A 72 9.276 -4.532 -10.315 1.00 0.00 C ATOM 1114 CG ASP A 72 10.694 -4.974 -10.075 1.00 0.00 C ATOM 1115 OD1 ASP A 72 11.363 -5.434 -11.026 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.171 -4.863 -8.928 1.00 0.00 O ATOM 0 H ASP A 72 6.868 -4.262 -9.945 1.00 0.00 H new ATOM 0 HA ASP A 72 8.476 -6.251 -11.292 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.229 -3.975 -11.251 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.976 -3.848 -9.521 1.00 0.00 H new ATOM 1121 N PRO A 73 8.974 -7.792 -9.365 1.00 0.00 N ATOM 1122 CA PRO A 73 9.131 -8.756 -8.280 1.00 0.00 C ATOM 1123 C PRO A 73 10.276 -8.450 -7.312 1.00 0.00 C ATOM 1124 O PRO A 73 10.260 -8.940 -6.174 1.00 0.00 O ATOM 1125 CB PRO A 73 9.402 -10.062 -8.999 1.00 0.00 C ATOM 1126 CG PRO A 73 10.020 -9.666 -10.292 1.00 0.00 C ATOM 1127 CD PRO A 73 9.394 -8.358 -10.668 1.00 0.00 C ATOM 0 HA PRO A 73 8.244 -8.754 -7.647 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.070 -10.700 -8.421 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.482 -10.624 -9.157 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.101 -9.567 -10.193 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.838 -10.420 -11.058 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.102 -7.706 -11.180 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.546 -8.496 -11.338 1.00 0.00 H new ATOM 1135 N ASN A 74 11.236 -7.639 -7.739 1.00 0.00 N ATOM 1136 CA ASN A 74 12.410 -7.341 -6.908 1.00 0.00 C ATOM 1137 C ASN A 74 11.977 -6.450 -5.788 1.00 0.00 C ATOM 1138 O ASN A 74 12.320 -6.661 -4.617 1.00 0.00 O ATOM 1139 CB ASN A 74 13.515 -6.638 -7.693 1.00 0.00 C ATOM 1140 CG ASN A 74 14.805 -6.508 -6.890 1.00 0.00 C ATOM 1141 OD1 ASN A 74 15.184 -7.558 -6.193 1.00 0.00 O flip ATOM 1142 ND2 ASN A 74 15.489 -5.489 -6.945 1.00 0.00 N flip ATOM 0 H ASN A 74 11.231 -7.176 -8.648 1.00 0.00 H new ATOM 0 HA ASN A 74 12.814 -8.285 -6.542 1.00 0.00 H new ATOM 0 HB2 ASN A 74 13.715 -7.193 -8.610 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.173 -5.646 -7.989 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.171 -4.690 -7.493 1.00 0.00 H new ATOM 0 HD22 ASN A 74 16.375 -5.442 -6.443 1.00 0.00 H new ATOM 1149 N LYS A 75 11.198 -5.461 -6.145 1.00 0.00 N ATOM 1150 CA LYS A 75 10.598 -4.618 -5.174 1.00 0.00 C ATOM 1151 C LYS A 75 9.422 -5.317 -4.687 1.00 0.00 C ATOM 1152 O LYS A 75 8.748 -5.959 -5.452 1.00 0.00 O ATOM 1153 CB LYS A 75 10.158 -3.295 -5.763 1.00 0.00 C ATOM 1154 CG LYS A 75 11.236 -2.278 -5.864 1.00 0.00 C ATOM 1155 CD LYS A 75 11.608 -1.672 -4.520 1.00 0.00 C ATOM 1156 CE LYS A 75 12.855 -0.785 -4.630 1.00 0.00 C ATOM 1157 NZ LYS A 75 12.756 0.245 -5.693 1.00 0.00 N ATOM 0 H LYS A 75 10.970 -5.228 -7.112 1.00 0.00 H new ATOM 0 HA LYS A 75 11.321 -4.403 -4.387 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.749 -3.472 -6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.350 -2.891 -5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.120 -2.736 -6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.917 -1.484 -6.539 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.773 -1.082 -4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.789 -2.468 -3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.027 -0.293 -3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.723 -1.415 -4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.584 0.872 -5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.724 -0.218 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.890 0.804 -5.555 1.00 0.00 H new ATOM 1171 N ARG A 76 9.213 -5.312 -3.441 1.00 0.00 N ATOM 1172 CA ARG A 76 7.998 -5.869 -2.968 1.00 0.00 C ATOM 1173 C ARG A 76 6.955 -4.793 -3.064 1.00 0.00 C ATOM 1174 O ARG A 76 5.812 -5.029 -3.457 1.00 0.00 O ATOM 1175 CB ARG A 76 8.133 -6.352 -1.553 1.00 0.00 C ATOM 1176 CG ARG A 76 6.974 -7.243 -1.128 1.00 0.00 C ATOM 1177 CD ARG A 76 7.190 -7.847 0.237 1.00 0.00 C ATOM 1178 NE ARG A 76 6.027 -8.622 0.667 1.00 0.00 N ATOM 1179 CZ ARG A 76 5.926 -9.255 1.834 1.00 0.00 C ATOM 1180 NH1 ARG A 76 7.011 -9.528 2.542 1.00 0.00 N ATOM 1181 NH2 ARG A 76 4.754 -9.707 2.245 1.00 0.00 N ATOM 0 H ARG A 76 9.844 -4.940 -2.731 1.00 0.00 H new ATOM 0 HA ARG A 76 7.720 -6.736 -3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.068 -6.903 -1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.192 -5.494 -0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.053 -6.660 -1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.844 -8.040 -1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.070 -8.489 0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.389 -7.056 0.960 1.00 0.00 H new ATOM 0 HE ARG A 76 5.236 -8.682 0.026 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.930 -9.253 2.194 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.928 -10.013 3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.924 -9.571 1.668 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.679 -10.192 3.139 1.00 0.00 H new ATOM 1195 N TRP A 77 7.400 -3.603 -2.791 1.00 0.00 N ATOM 1196 CA TRP A 77 6.545 -2.443 -2.771 1.00 0.00 C ATOM 1197 C TRP A 77 7.382 -1.214 -2.788 1.00 0.00 C ATOM 1198 O TRP A 77 8.604 -1.282 -2.589 1.00 0.00 O ATOM 1199 CB TRP A 77 5.608 -2.409 -1.522 1.00 0.00 C ATOM 1200 CG TRP A 77 6.342 -2.292 -0.188 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.864 -3.300 0.567 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.617 -1.080 0.539 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.493 -2.782 1.678 1.00 0.00 N ATOM 1204 CE2 TRP A 77 7.344 -1.434 1.686 1.00 0.00 C ATOM 1205 CE3 TRP A 77 6.335 0.266 0.321 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 7.787 -0.496 2.608 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 6.770 1.194 1.238 1.00 0.00 C ATOM 1208 CH2 TRP A 77 7.492 0.808 2.367 1.00 0.00 C ATOM 0 H TRP A 77 8.376 -3.403 -2.573 1.00 0.00 H new ATOM 0 HA TRP A 77 5.910 -2.493 -3.655 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.921 -1.568 -1.620 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.003 -3.315 -1.512 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.795 -4.351 0.329 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.991 -3.326 2.382 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.783 0.576 -0.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.345 -0.792 3.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 6.549 2.239 1.081 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.824 1.562 3.065 1.00 0.00 H new ATOM 1219 N GLU A 78 6.719 -0.112 -2.987 1.00 0.00 N ATOM 1220 CA GLU A 78 7.307 1.202 -2.930 1.00 0.00 C ATOM 1221 C GLU A 78 6.247 2.161 -2.467 1.00 0.00 C ATOM 1222 O GLU A 78 5.040 1.883 -2.603 1.00 0.00 O ATOM 1223 CB GLU A 78 7.841 1.684 -4.286 1.00 0.00 C ATOM 1224 CG GLU A 78 8.961 0.857 -4.872 1.00 0.00 C ATOM 1225 CD GLU A 78 9.527 1.457 -6.114 1.00 0.00 C ATOM 1226 OE1 GLU A 78 8.823 1.556 -7.115 1.00 0.00 O ATOM 1227 OE2 GLU A 78 10.699 1.867 -6.092 1.00 0.00 O ATOM 0 H GLU A 78 5.722 -0.099 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 78 8.156 1.157 -2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.015 1.702 -4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.189 2.711 -4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.753 0.748 -4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.591 -0.144 -5.092 1.00 0.00 H new ATOM 1234 N TYR A 79 6.672 3.261 -1.888 1.00 0.00 N ATOM 1235 CA TYR A 79 5.768 4.300 -1.511 1.00 0.00 C ATOM 1236 C TYR A 79 5.235 4.937 -2.757 1.00 0.00 C ATOM 1237 O TYR A 79 5.877 4.890 -3.823 1.00 0.00 O ATOM 1238 CB TYR A 79 6.466 5.374 -0.681 1.00 0.00 C ATOM 1239 CG TYR A 79 6.875 4.964 0.707 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.954 4.975 1.739 1.00 0.00 C ATOM 1241 CD2 TYR A 79 8.184 4.594 0.992 1.00 0.00 C ATOM 1242 CE1 TYR A 79 6.318 4.626 3.026 1.00 0.00 C ATOM 1243 CE2 TYR A 79 8.560 4.248 2.274 1.00 0.00 C ATOM 1244 CZ TYR A 79 7.625 4.265 3.287 1.00 0.00 C ATOM 1245 OH TYR A 79 8.001 3.925 4.567 1.00 0.00 O ATOM 0 H TYR A 79 7.650 3.451 -1.670 1.00 0.00 H new ATOM 0 HA TYR A 79 4.970 3.864 -0.911 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.355 5.702 -1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.803 6.236 -0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.933 5.261 1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.917 4.577 0.199 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.587 4.636 3.821 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.581 3.965 2.483 1.00 0.00 H new ATOM 0 HH TYR A 79 8.954 3.696 4.578 1.00 0.00 H new ATOM 1255 N CYS A 80 4.114 5.522 -2.653 1.00 0.00 N ATOM 1256 CA CYS A 80 3.565 6.201 -3.764 1.00 0.00 C ATOM 1257 C CYS A 80 3.719 7.665 -3.462 1.00 0.00 C ATOM 1258 O CYS A 80 3.623 8.080 -2.295 1.00 0.00 O ATOM 1259 CB CYS A 80 2.103 5.842 -3.937 1.00 0.00 C ATOM 1260 SG CYS A 80 1.403 6.249 -5.565 1.00 0.00 S ATOM 0 H CYS A 80 3.548 5.549 -1.805 1.00 0.00 H new ATOM 0 HA CYS A 80 4.068 5.928 -4.692 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.983 4.773 -3.763 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.524 6.356 -3.170 1.00 0.00 H new ATOM 1265 N ASP A 81 3.995 8.441 -4.450 1.00 0.00 N ATOM 1266 CA ASP A 81 4.201 9.846 -4.214 1.00 0.00 C ATOM 1267 C ASP A 81 2.895 10.543 -4.448 1.00 0.00 C ATOM 1268 O ASP A 81 2.562 10.942 -5.566 1.00 0.00 O ATOM 1269 CB ASP A 81 5.308 10.425 -5.088 1.00 0.00 C ATOM 1270 CG ASP A 81 5.823 11.735 -4.540 1.00 0.00 C ATOM 1271 OD1 ASP A 81 5.255 12.808 -4.842 1.00 0.00 O ATOM 1272 OD2 ASP A 81 6.817 11.713 -3.781 1.00 0.00 O ATOM 0 H ASP A 81 4.085 8.143 -5.421 1.00 0.00 H new ATOM 0 HA ASP A 81 4.533 9.997 -3.187 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.129 9.711 -5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.932 10.576 -6.100 1.00 0.00 H new ATOM 1277 N ILE A 82 2.130 10.602 -3.405 1.00 0.00 N ATOM 1278 CA ILE A 82 0.784 11.085 -3.455 1.00 0.00 C ATOM 1279 C ILE A 82 0.713 12.578 -3.259 1.00 0.00 C ATOM 1280 O ILE A 82 1.395 13.128 -2.368 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.052 10.410 -2.345 1.00 0.00 C ATOM 1282 CG1 ILE A 82 0.040 8.901 -2.462 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.512 10.854 -2.393 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -0.593 8.337 -3.712 1.00 0.00 C ATOM 0 H ILE A 82 2.428 10.310 -2.474 1.00 0.00 H new ATOM 0 HA ILE A 82 0.390 10.844 -4.442 1.00 0.00 H new ATOM 0 HB ILE A 82 0.360 10.721 -1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.090 8.609 -2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.437 8.451 -1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.069 10.359 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.568 11.934 -2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.942 10.587 -3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.484 7.253 -3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.652 8.595 -3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.101 8.756 -4.590 1.00 0.00 H new ATOM 1494 N ALA B 108 -4.864 -4.230 13.391 1.00 0.00 N ATOM 1495 CA ALA B 108 -3.829 -5.074 13.961 1.00 0.00 C ATOM 1496 C ALA B 108 -3.242 -6.022 12.929 1.00 0.00 C ATOM 1497 O ALA B 108 -2.047 -6.269 12.928 1.00 0.00 O ATOM 1498 CB ALA B 108 -4.333 -5.833 15.167 1.00 0.00 C ATOM 0 HA ALA B 108 -3.029 -4.413 14.293 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -3.532 -6.454 15.567 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -4.661 -5.127 15.930 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -5.171 -6.466 14.875 1.00 0.00 H new ATOM 1504 N GLU B 109 -4.071 -6.509 12.025 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.615 -7.437 11.010 1.00 0.00 C ATOM 1506 C GLU B 109 -2.791 -6.655 9.993 1.00 0.00 C ATOM 1507 O GLU B 109 -1.743 -7.118 9.502 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.820 -8.086 10.329 1.00 0.00 C ATOM 1509 CG GLU B 109 -4.503 -9.373 9.610 1.00 0.00 C ATOM 1510 CD GLU B 109 -4.091 -10.462 10.575 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -2.908 -10.512 10.967 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -4.950 -11.296 10.946 1.00 0.00 O ATOM 0 H GLU B 109 -5.063 -6.277 11.974 1.00 0.00 H new ATOM 0 HA GLU B 109 -3.007 -8.225 11.455 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -5.586 -8.281 11.079 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -5.245 -7.379 9.616 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -5.376 -9.699 9.044 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -3.702 -9.201 8.891 1.00 0.00 H new ATOM 1519 N LEU B 110 -3.270 -5.460 9.718 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.620 -4.512 8.849 1.00 0.00 C ATOM 1521 C LEU B 110 -1.282 -4.096 9.409 1.00 0.00 C ATOM 1522 O LEU B 110 -0.302 -4.051 8.694 1.00 0.00 O ATOM 1523 CB LEU B 110 -3.538 -3.308 8.665 1.00 0.00 C ATOM 1524 CG LEU B 110 -4.614 -3.454 7.597 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -5.613 -2.323 7.683 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -3.983 -3.488 6.214 1.00 0.00 C ATOM 0 H LEU B 110 -4.148 -5.115 10.106 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.431 -4.974 7.880 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -4.024 -3.096 9.617 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -2.925 -2.441 8.420 1.00 0.00 H new ATOM 0 HG LEU B 110 -5.140 -4.393 7.770 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -6.372 -2.448 6.911 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -6.089 -2.331 8.664 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -5.100 -1.372 7.537 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -4.764 -3.593 5.460 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -3.434 -2.562 6.042 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -3.298 -4.334 6.147 1.00 0.00 H new ATOM 1538 N GLN B 111 -1.252 -3.848 10.698 1.00 0.00 N ATOM 1539 CA GLN B 111 -0.060 -3.431 11.414 1.00 0.00 C ATOM 1540 C GLN B 111 1.056 -4.451 11.274 1.00 0.00 C ATOM 1541 O GLN B 111 2.223 -4.091 11.108 1.00 0.00 O ATOM 1542 CB GLN B 111 -0.403 -3.222 12.880 1.00 0.00 C ATOM 1543 CG GLN B 111 -0.017 -1.858 13.403 1.00 0.00 C ATOM 1544 CD GLN B 111 -0.532 -0.733 12.518 1.00 0.00 C ATOM 1545 OE1 GLN B 111 0.157 -0.285 11.617 1.00 0.00 O ATOM 1546 NE2 GLN B 111 -1.735 -0.286 12.737 1.00 0.00 N ATOM 0 H GLN B 111 -2.074 -3.932 11.296 1.00 0.00 H new ATOM 0 HA GLN B 111 0.295 -2.495 10.982 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -1.475 -3.365 13.018 1.00 0.00 H new ATOM 0 HB3 GLN B 111 0.099 -3.985 13.474 1.00 0.00 H new ATOM 0 HG2 GLN B 111 -0.411 -1.733 14.412 1.00 0.00 H new ATOM 0 HG3 GLN B 111 1.069 -1.793 13.475 1.00 0.00 H new ATOM 0 HE21 GLN B 111 -2.293 -0.676 13.496 1.00 0.00 H new ATOM 0 HE22 GLN B 111 -2.119 0.454 12.149 1.00 0.00 H new ATOM 1555 N ARG B 112 0.689 -5.714 11.300 1.00 0.00 N ATOM 1556 CA ARG B 112 1.638 -6.806 11.174 1.00 0.00 C ATOM 1557 C ARG B 112 2.195 -6.854 9.762 1.00 0.00 C ATOM 1558 O ARG B 112 3.382 -7.051 9.555 1.00 0.00 O ATOM 1559 CB ARG B 112 0.941 -8.109 11.483 1.00 0.00 C ATOM 1560 CG ARG B 112 0.364 -8.195 12.854 1.00 0.00 C ATOM 1561 CD ARG B 112 -0.408 -9.472 12.995 1.00 0.00 C ATOM 1562 NE ARG B 112 0.444 -10.665 12.964 1.00 0.00 N ATOM 1563 CZ ARG B 112 0.032 -11.909 12.659 1.00 0.00 C ATOM 1564 NH1 ARG B 112 -1.163 -12.123 12.107 1.00 0.00 N ATOM 1565 NH2 ARG B 112 0.847 -12.930 12.854 1.00 0.00 N ATOM 0 H ARG B 112 -0.279 -6.017 11.409 1.00 0.00 H new ATOM 0 HA ARG B 112 2.459 -6.649 11.874 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.142 -8.259 10.757 1.00 0.00 H new ATOM 0 HB3 ARG B 112 1.651 -8.926 11.350 1.00 0.00 H new ATOM 0 HG2 ARG B 112 1.160 -8.155 13.598 1.00 0.00 H new ATOM 0 HG3 ARG B 112 -0.288 -7.342 13.039 1.00 0.00 H new ATOM 0 HD2 ARG B 112 -0.962 -9.453 13.933 1.00 0.00 H new ATOM 0 HD3 ARG B 112 -1.142 -9.536 12.192 1.00 0.00 H new ATOM 0 HE ARG B 112 1.430 -10.542 13.193 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -1.782 -11.336 11.909 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -1.458 -13.073 11.883 1.00 0.00 H new ATOM 0 HH21 ARG B 112 1.781 -12.772 13.233 1.00 0.00 H new ATOM 0 HH22 ARG B 112 0.543 -13.876 12.626 1.00 0.00 H new ATOM 1579 N LEU B 113 1.332 -6.675 8.804 1.00 0.00 N ATOM 1580 CA LEU B 113 1.728 -6.674 7.400 1.00 0.00 C ATOM 1581 C LEU B 113 2.566 -5.432 7.088 1.00 0.00 C ATOM 1582 O LEU B 113 3.550 -5.498 6.330 1.00 0.00 O ATOM 1583 CB LEU B 113 0.492 -6.730 6.501 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.393 -7.971 6.635 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.645 -7.824 5.790 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.374 -9.223 6.231 1.00 0.00 C ATOM 0 H LEU B 113 0.335 -6.525 8.959 1.00 0.00 H new ATOM 0 HA LEU B 113 2.335 -7.558 7.205 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.119 -5.851 6.706 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.820 -6.655 5.464 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.688 -8.069 7.680 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.263 -8.715 5.897 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.207 -6.951 6.121 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.365 -7.700 4.744 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.272 -10.095 6.333 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.699 -9.132 5.195 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.245 -9.340 6.876 1.00 0.00 H new ATOM 1598 N LYS B 114 2.189 -4.321 7.700 1.00 0.00 N ATOM 1599 CA LYS B 114 2.883 -3.066 7.554 1.00 0.00 C ATOM 1600 C LYS B 114 4.289 -3.226 8.080 1.00 0.00 C ATOM 1601 O LYS B 114 5.263 -2.918 7.396 1.00 0.00 O ATOM 1602 CB LYS B 114 2.165 -1.960 8.353 1.00 0.00 C ATOM 1603 CG LYS B 114 2.508 -0.542 7.907 1.00 0.00 C ATOM 1604 CD LYS B 114 1.844 0.521 8.768 1.00 0.00 C ATOM 1605 CE LYS B 114 2.579 0.760 10.064 1.00 0.00 C ATOM 1606 NZ LYS B 114 1.849 1.717 10.917 1.00 0.00 N ATOM 0 H LYS B 114 1.380 -4.272 8.319 1.00 0.00 H new ATOM 0 HA LYS B 114 2.900 -2.784 6.501 1.00 0.00 H new ATOM 0 HB2 LYS B 114 1.088 -2.106 8.266 1.00 0.00 H new ATOM 0 HB3 LYS B 114 2.417 -2.068 9.408 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.589 -0.407 7.940 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.201 -0.408 6.870 1.00 0.00 H new ATOM 0 HD2 LYS B 114 1.789 1.455 8.208 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.820 0.219 8.986 1.00 0.00 H new ATOM 0 HE2 LYS B 114 2.704 -0.184 10.595 1.00 0.00 H new ATOM 0 HE3 LYS B 114 3.578 1.143 9.855 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 2.507 2.148 11.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 1.428 2.460 10.324 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 1.096 1.218 11.433 1.00 0.00 H new ATOM 1620 N ASN B 115 4.385 -3.777 9.279 1.00 0.00 N ATOM 1621 CA ASN B 115 5.661 -3.961 9.968 1.00 0.00 C ATOM 1622 C ASN B 115 6.520 -4.955 9.206 1.00 0.00 C ATOM 1623 O ASN B 115 7.741 -4.826 9.158 1.00 0.00 O ATOM 1624 CB ASN B 115 5.401 -4.356 11.472 1.00 0.00 C ATOM 1625 CG ASN B 115 5.222 -5.844 11.854 1.00 0.00 C ATOM 1626 OD1 ASN B 115 5.839 -6.751 11.309 1.00 0.00 O ATOM 1627 ND2 ASN B 115 4.356 -6.090 12.817 1.00 0.00 N ATOM 0 H ASN B 115 3.579 -4.112 9.808 1.00 0.00 H new ATOM 0 HA ASN B 115 6.226 -3.029 9.991 1.00 0.00 H new ATOM 0 HB2 ASN B 115 6.233 -3.967 12.059 1.00 0.00 H new ATOM 0 HB3 ASN B 115 4.506 -3.826 11.798 1.00 0.00 H new ATOM 0 HD21 ASN B 115 4.190 -7.049 13.121 1.00 0.00 H new ATOM 0 HD22 ASN B 115 3.852 -5.321 13.258 1.00 0.00 H new ATOM 1634 N GLU B 116 5.853 -5.908 8.581 1.00 0.00 N ATOM 1635 CA GLU B 116 6.490 -6.913 7.733 1.00 0.00 C ATOM 1636 C GLU B 116 7.168 -6.243 6.566 1.00 0.00 C ATOM 1637 O GLU B 116 8.370 -6.374 6.379 1.00 0.00 O ATOM 1638 CB GLU B 116 5.452 -7.911 7.214 1.00 0.00 C ATOM 1639 CG GLU B 116 6.038 -8.961 6.306 1.00 0.00 C ATOM 1640 CD GLU B 116 5.079 -10.074 5.993 1.00 0.00 C ATOM 1641 OE1 GLU B 116 4.922 -10.992 6.831 1.00 0.00 O ATOM 1642 OE2 GLU B 116 4.479 -10.067 4.904 1.00 0.00 O ATOM 0 H GLU B 116 4.840 -6.012 8.645 1.00 0.00 H new ATOM 0 HA GLU B 116 7.230 -7.449 8.327 1.00 0.00 H new ATOM 0 HB2 GLU B 116 4.973 -8.400 8.062 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.674 -7.369 6.677 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.356 -8.491 5.375 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.930 -9.379 6.773 1.00 0.00 H new ATOM 1649 N ARG B 117 6.382 -5.524 5.795 1.00 0.00 N ATOM 1650 CA ARG B 117 6.877 -4.756 4.652 1.00 0.00 C ATOM 1651 C ARG B 117 7.970 -3.797 5.051 1.00 0.00 C ATOM 1652 O ARG B 117 8.875 -3.519 4.269 1.00 0.00 O ATOM 1653 CB ARG B 117 5.801 -3.926 4.011 1.00 0.00 C ATOM 1654 CG ARG B 117 4.712 -4.654 3.279 1.00 0.00 C ATOM 1655 CD ARG B 117 3.841 -3.624 2.588 1.00 0.00 C ATOM 1656 NE ARG B 117 3.213 -2.728 3.555 1.00 0.00 N ATOM 1657 CZ ARG B 117 3.393 -1.412 3.707 1.00 0.00 C ATOM 1658 NH1 ARG B 117 4.284 -0.751 2.979 1.00 0.00 N ATOM 1659 NH2 ARG B 117 2.646 -0.758 4.566 1.00 0.00 N ATOM 0 H ARG B 117 5.375 -5.449 5.936 1.00 0.00 H new ATOM 0 HA ARG B 117 7.249 -5.505 3.953 1.00 0.00 H new ATOM 0 HB2 ARG B 117 5.337 -3.318 4.788 1.00 0.00 H new ATOM 0 HB3 ARG B 117 6.277 -3.240 3.311 1.00 0.00 H new ATOM 0 HG2 ARG B 117 5.138 -5.343 2.550 1.00 0.00 H new ATOM 0 HG3 ARG B 117 4.119 -5.250 3.973 1.00 0.00 H new ATOM 0 HD2 ARG B 117 4.444 -3.044 1.889 1.00 0.00 H new ATOM 0 HD3 ARG B 117 3.072 -4.128 2.003 1.00 0.00 H new ATOM 0 HE ARG B 117 2.551 -3.163 4.198 1.00 0.00 H new ATOM 0 HH11 ARG B 117 4.847 -1.247 2.288 1.00 0.00 H new ATOM 0 HH12 ARG B 117 4.406 0.253 3.110 1.00 0.00 H new ATOM 0 HH21 ARG B 117 1.938 -1.254 5.108 1.00 0.00 H new ATOM 0 HH22 ARG B 117 2.773 0.246 4.692 1.00 0.00 H new ATOM 1673 N HIS B 118 7.852 -3.258 6.233 1.00 0.00 N ATOM 1674 CA HIS B 118 8.817 -2.330 6.749 1.00 0.00 C ATOM 1675 C HIS B 118 10.130 -3.007 7.046 1.00 0.00 C ATOM 1676 O HIS B 118 11.190 -2.461 6.759 1.00 0.00 O ATOM 1677 CB HIS B 118 8.224 -1.518 7.904 1.00 0.00 C ATOM 1678 CG HIS B 118 7.276 -0.476 7.380 1.00 0.00 C ATOM 1679 ND1 HIS B 118 7.451 0.106 6.144 1.00 0.00 N ATOM 1680 CD2 HIS B 118 6.072 -0.043 7.813 1.00 0.00 C ATOM 1681 CE1 HIS B 118 6.403 0.813 5.837 1.00 0.00 C ATOM 1682 NE2 HIS B 118 5.559 0.754 6.818 1.00 0.00 N ATOM 0 H HIS B 118 7.078 -3.452 6.869 1.00 0.00 H new ATOM 0 HA HIS B 118 9.061 -1.596 5.981 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.701 -2.182 8.592 1.00 0.00 H new ATOM 0 HB3 HIS B 118 9.024 -1.040 8.469 1.00 0.00 H new ATOM 0 HD2 HIS B 118 5.604 -0.278 8.757 1.00 0.00 H new ATOM 0 HE1 HIS B 118 6.260 1.359 4.916 1.00 0.00 H new ATOM 0 HE2 HIS B 118 4.655 1.225 6.847 1.00 0.00 H new ATOM 1691 N GLU B 119 10.052 -4.219 7.558 1.00 0.00 N ATOM 1692 CA GLU B 119 11.226 -5.060 7.712 1.00 0.00 C ATOM 1693 C GLU B 119 11.850 -5.302 6.352 1.00 0.00 C ATOM 1694 O GLU B 119 13.030 -5.076 6.172 1.00 0.00 O ATOM 1695 CB GLU B 119 10.867 -6.402 8.367 1.00 0.00 C ATOM 1696 CG GLU B 119 10.560 -6.325 9.846 1.00 0.00 C ATOM 1697 CD GLU B 119 11.765 -5.935 10.656 1.00 0.00 C ATOM 1698 OE1 GLU B 119 12.101 -4.746 10.728 1.00 0.00 O ATOM 1699 OE2 GLU B 119 12.416 -6.822 11.240 1.00 0.00 O ATOM 0 H GLU B 119 9.183 -4.647 7.877 1.00 0.00 H new ATOM 0 HA GLU B 119 11.936 -4.548 8.362 1.00 0.00 H new ATOM 0 HB2 GLU B 119 10.003 -6.821 7.852 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.694 -7.096 8.218 1.00 0.00 H new ATOM 0 HG2 GLU B 119 9.762 -5.601 10.013 1.00 0.00 H new ATOM 0 HG3 GLU B 119 10.190 -7.291 10.190 1.00 0.00 H new ATOM 1706 N GLU B 120 11.017 -5.710 5.399 1.00 0.00 N ATOM 1707 CA GLU B 120 11.431 -5.991 4.010 1.00 0.00 C ATOM 1708 C GLU B 120 12.188 -4.811 3.415 1.00 0.00 C ATOM 1709 O GLU B 120 13.233 -4.983 2.845 1.00 0.00 O ATOM 1710 CB GLU B 120 10.202 -6.241 3.138 1.00 0.00 C ATOM 1711 CG GLU B 120 9.298 -7.367 3.589 1.00 0.00 C ATOM 1712 CD GLU B 120 9.868 -8.733 3.363 1.00 0.00 C ATOM 1713 OE1 GLU B 120 9.802 -9.203 2.210 1.00 0.00 O ATOM 1714 OE2 GLU B 120 10.281 -9.395 4.328 1.00 0.00 O ATOM 0 H GLU B 120 10.021 -5.859 5.562 1.00 0.00 H new ATOM 0 HA GLU B 120 12.076 -6.870 4.033 1.00 0.00 H new ATOM 0 HB2 GLU B 120 9.616 -5.323 3.096 1.00 0.00 H new ATOM 0 HB3 GLU B 120 10.536 -6.452 2.122 1.00 0.00 H new ATOM 0 HG2 GLU B 120 9.084 -7.245 4.651 1.00 0.00 H new ATOM 0 HG3 GLU B 120 8.347 -7.289 3.062 1.00 0.00 H new ATOM 1721 N ALA B 121 11.653 -3.622 3.580 1.00 0.00 N ATOM 1722 CA ALA B 121 12.252 -2.419 3.013 1.00 0.00 C ATOM 1723 C ALA B 121 13.592 -2.086 3.668 1.00 0.00 C ATOM 1724 O ALA B 121 14.507 -1.559 3.018 1.00 0.00 O ATOM 1725 CB ALA B 121 11.301 -1.250 3.118 1.00 0.00 C ATOM 0 H ALA B 121 10.796 -3.454 4.107 1.00 0.00 H new ATOM 0 HA ALA B 121 12.446 -2.617 1.959 1.00 0.00 H new ATOM 0 HB1 ALA B 121 11.767 -0.362 2.690 1.00 0.00 H new ATOM 0 HB2 ALA B 121 10.384 -1.477 2.574 1.00 0.00 H new ATOM 0 HB3 ALA B 121 11.065 -1.066 4.166 1.00 0.00 H new