USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=20 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= -1.53 K(o=-0.43,f=-3.7!) USER MOD Set 1.2: B 114 LYS NZ :NH3+ -149:sc= 1.11 (180deg=0.558) USER MOD Set 2.1: A 49 ASN : amide:sc= 0.999 K(o=1.8,f=-12!) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -163:sc= 0.804 (180deg=-0.173) USER MOD Set 3.1: A 30 GLN : amide:sc= -0.237! C(o=-2.8!,f=-7.4!) USER MOD Set 3.2: A 38 HIS : no HE2:sc= -2.57! X(o=-2.8!,f=-3.3) USER MOD Set 4.1: A 23 THR OG1 : rot 118:sc= 1.15 USER MOD Set 4.2: A 25 SER OG : rot -95:sc= 2.35 USER MOD Single : A 15 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.38) USER MOD Single : A 16 TYR OH : rot 50:sc= -2.12! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -81:sc= 0.0172 USER MOD Single : A 22 LYS NZ :NH3+ -170:sc= 1.04 (180deg=0.851) USER MOD Single : A 24 MET CE :methyl 180:sc= -0.0107 (180deg=-0.0107) USER MOD Single : A 34 SER OG : rot 180:sc=-0.00559 USER MOD Single : A 35 GLN : amide:sc= 1.18 K(o=1.2,f=-0.35) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -2.3 X(o=-2.3,f=-2.8!) USER MOD Single : A 42 TYR OH : rot -121:sc= 0.481 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 51 ASN : amide:sc= 1.2 K(o=1.2,f=-1.4) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= 1.28 (180deg=1.07) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.599 F(o=-1.5,f=-0.6) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.76! C(o=-1.8!,f=-11!) USER MOD Single : A 70 THR OG1 : rot -120:sc= -0.411 USER MOD Single : A 71 THR OG1 : rot -87:sc= 1.25 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 0.834 (180deg=0.79) USER MOD Single : A 79 TYR OH : rot 47:sc= 1.27 USER MOD Single : B 115 ASN : amide:sc= -0.0453 K(o=-0.045,f=-0.89) USER MOD Single : B 118 HIS : +bothHN:sc= 1.86 K(o=1.9,f=-9.9!) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 -3.908 9.823 3.660 1.00 0.00 N ATOM 180 CA GLY A 13 -4.098 9.141 2.417 1.00 0.00 C ATOM 181 C GLY A 13 -4.917 7.886 2.568 1.00 0.00 C ATOM 182 O GLY A 13 -5.111 7.152 1.603 1.00 0.00 O ATOM 0 HA2 GLY A 13 -4.590 9.810 1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.126 8.888 1.993 1.00 0.00 H new ATOM 186 N GLU A 14 -5.410 7.651 3.775 1.00 0.00 N ATOM 187 CA GLU A 14 -6.254 6.482 4.072 1.00 0.00 C ATOM 188 C GLU A 14 -7.564 6.576 3.294 1.00 0.00 C ATOM 189 O GLU A 14 -8.173 5.575 2.918 1.00 0.00 O ATOM 190 CB GLU A 14 -6.597 6.454 5.560 1.00 0.00 C ATOM 191 CG GLU A 14 -5.415 6.331 6.490 1.00 0.00 C ATOM 192 CD GLU A 14 -5.817 6.568 7.924 1.00 0.00 C ATOM 193 OE1 GLU A 14 -6.380 5.654 8.563 1.00 0.00 O ATOM 194 OE2 GLU A 14 -5.603 7.694 8.428 1.00 0.00 O ATOM 0 H GLU A 14 -5.243 8.256 4.579 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.707 5.583 3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.141 7.365 5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.273 5.619 5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.975 5.338 6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.647 7.049 6.202 1.00 0.00 H new ATOM 201 N ASN A 15 -7.982 7.798 3.070 1.00 0.00 N ATOM 202 CA ASN A 15 -9.228 8.089 2.397 1.00 0.00 C ATOM 203 C ASN A 15 -8.969 8.476 0.927 1.00 0.00 C ATOM 204 O ASN A 15 -9.847 8.959 0.224 1.00 0.00 O ATOM 205 CB ASN A 15 -9.953 9.213 3.180 1.00 0.00 C ATOM 206 CG ASN A 15 -11.360 9.524 2.711 1.00 0.00 C ATOM 207 OD1 ASN A 15 -11.576 10.398 1.883 1.00 0.00 O ATOM 208 ND2 ASN A 15 -12.314 8.830 3.240 1.00 0.00 N ATOM 0 H ASN A 15 -7.462 8.629 3.352 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.868 7.207 2.377 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.992 8.933 4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.356 10.123 3.114 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.282 9.004 2.969 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.099 8.108 3.928 1.00 0.00 H new ATOM 215 N TYR A 16 -7.758 8.232 0.453 1.00 0.00 N ATOM 216 CA TYR A 16 -7.440 8.529 -0.934 1.00 0.00 C ATOM 217 C TYR A 16 -8.012 7.440 -1.824 1.00 0.00 C ATOM 218 O TYR A 16 -7.529 6.317 -1.820 1.00 0.00 O ATOM 219 CB TYR A 16 -5.914 8.682 -1.159 1.00 0.00 C ATOM 220 CG TYR A 16 -5.513 8.838 -2.623 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.699 10.038 -3.299 1.00 0.00 C ATOM 222 CD2 TYR A 16 -4.978 7.764 -3.330 1.00 0.00 C ATOM 223 CE1 TYR A 16 -5.354 10.163 -4.633 1.00 0.00 C ATOM 224 CE2 TYR A 16 -4.640 7.876 -4.662 1.00 0.00 C ATOM 225 CZ TYR A 16 -4.828 9.078 -5.310 1.00 0.00 C ATOM 226 OH TYR A 16 -4.519 9.185 -6.644 1.00 0.00 O ATOM 0 H TYR A 16 -6.991 7.836 0.997 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.892 9.486 -1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.561 9.550 -0.602 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.407 7.810 -0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.119 10.885 -2.776 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.824 6.822 -2.824 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.495 11.104 -5.144 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.231 7.029 -5.193 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.976 9.988 -6.791 1.00 0.00 H new ATOM 236 N ASP A 17 -9.047 7.770 -2.567 1.00 0.00 N ATOM 237 CA ASP A 17 -9.692 6.790 -3.429 1.00 0.00 C ATOM 238 C ASP A 17 -9.397 7.133 -4.891 1.00 0.00 C ATOM 239 O ASP A 17 -10.064 6.678 -5.807 1.00 0.00 O ATOM 240 CB ASP A 17 -11.208 6.769 -3.159 1.00 0.00 C ATOM 241 CG ASP A 17 -11.880 5.492 -3.637 1.00 0.00 C ATOM 242 OD1 ASP A 17 -11.808 4.485 -2.920 1.00 0.00 O ATOM 243 OD2 ASP A 17 -12.523 5.481 -4.710 1.00 0.00 O ATOM 0 H ASP A 17 -9.461 8.702 -2.595 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.300 5.795 -3.218 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.382 6.886 -2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.671 7.623 -3.653 1.00 0.00 H new ATOM 248 N GLY A 18 -8.347 7.912 -5.085 1.00 0.00 N ATOM 249 CA GLY A 18 -7.940 8.343 -6.412 1.00 0.00 C ATOM 250 C GLY A 18 -7.391 7.207 -7.261 1.00 0.00 C ATOM 251 O GLY A 18 -7.149 6.102 -6.763 1.00 0.00 O ATOM 0 H GLY A 18 -7.755 8.262 -4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.794 8.790 -6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.181 9.120 -6.319 1.00 0.00 H new ATOM 255 N LYS A 19 -7.140 7.494 -8.505 1.00 0.00 N ATOM 256 CA LYS A 19 -6.764 6.496 -9.474 1.00 0.00 C ATOM 257 C LYS A 19 -5.257 6.389 -9.691 1.00 0.00 C ATOM 258 O LYS A 19 -4.823 5.685 -10.619 1.00 0.00 O ATOM 259 CB LYS A 19 -7.454 6.792 -10.799 1.00 0.00 C ATOM 260 CG LYS A 19 -8.955 6.917 -10.680 1.00 0.00 C ATOM 261 CD LYS A 19 -9.589 7.205 -12.021 1.00 0.00 C ATOM 262 CE LYS A 19 -11.085 7.409 -11.885 1.00 0.00 C ATOM 263 NZ LYS A 19 -11.708 7.839 -13.156 1.00 0.00 N ATOM 0 H LYS A 19 -7.190 8.440 -8.884 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.086 5.534 -9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.051 7.717 -11.211 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.218 5.998 -11.508 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.368 5.995 -10.271 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.201 7.715 -9.980 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.136 8.095 -12.457 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.392 6.379 -12.705 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.548 6.480 -11.551 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.280 8.156 -11.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.731 7.966 -13.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.286 8.739 -13.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.546 7.115 -13.885 1.00 0.00 H new ATOM 277 N ILE A 20 -4.447 7.083 -8.885 1.00 0.00 N ATOM 278 CA ILE A 20 -3.009 6.941 -9.009 1.00 0.00 C ATOM 279 C ILE A 20 -2.601 5.518 -8.764 1.00 0.00 C ATOM 280 O ILE A 20 -2.939 4.917 -7.742 1.00 0.00 O ATOM 281 CB ILE A 20 -2.190 7.982 -8.183 1.00 0.00 C ATOM 282 CG1 ILE A 20 -1.815 9.133 -9.097 1.00 0.00 C ATOM 283 CG2 ILE A 20 -0.945 7.379 -7.539 1.00 0.00 C ATOM 284 CD1 ILE A 20 -1.207 10.333 -8.394 1.00 0.00 C ATOM 0 H ILE A 20 -4.760 7.730 -8.161 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.751 7.184 -10.040 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.814 8.333 -7.361 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.108 8.770 -9.843 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.707 9.457 -9.634 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.416 8.149 -6.978 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.238 6.575 -6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.291 6.981 -8.315 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.972 11.104 -9.128 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.918 10.728 -7.668 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.294 10.030 -7.881 1.00 0.00 H new ATOM 296 N SER A 21 -1.941 4.987 -9.731 1.00 0.00 N ATOM 297 CA SER A 21 -1.596 3.605 -9.752 1.00 0.00 C ATOM 298 C SER A 21 -0.125 3.390 -10.014 1.00 0.00 C ATOM 299 O SER A 21 0.336 2.249 -10.161 1.00 0.00 O ATOM 300 CB SER A 21 -2.449 2.934 -10.810 1.00 0.00 C ATOM 301 OG SER A 21 -2.568 3.767 -11.963 1.00 0.00 O ATOM 0 H SER A 21 -1.618 5.508 -10.546 1.00 0.00 H new ATOM 0 HA SER A 21 -1.790 3.165 -8.774 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.006 1.978 -11.090 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.438 2.720 -10.405 1.00 0.00 H new ATOM 0 HG SER A 21 -3.256 4.447 -11.806 1.00 0.00 H new ATOM 307 N LYS A 22 0.613 4.461 -10.087 1.00 0.00 N ATOM 308 CA LYS A 22 2.022 4.349 -10.310 1.00 0.00 C ATOM 309 C LYS A 22 2.765 4.891 -9.124 1.00 0.00 C ATOM 310 O LYS A 22 2.264 5.785 -8.431 1.00 0.00 O ATOM 311 CB LYS A 22 2.427 4.999 -11.630 1.00 0.00 C ATOM 312 CG LYS A 22 1.757 4.338 -12.823 1.00 0.00 C ATOM 313 CD LYS A 22 2.171 4.957 -14.133 1.00 0.00 C ATOM 314 CE LYS A 22 1.455 4.288 -15.302 1.00 0.00 C ATOM 315 NZ LYS A 22 1.722 2.827 -15.368 1.00 0.00 N ATOM 0 H LYS A 22 0.263 5.415 -9.996 1.00 0.00 H new ATOM 0 HA LYS A 22 2.294 3.298 -10.409 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.165 6.057 -11.608 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.509 4.941 -11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.004 3.276 -12.832 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.675 4.413 -12.715 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.943 6.023 -14.124 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.249 4.862 -14.260 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.382 4.455 -15.211 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.772 4.755 -16.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.358 2.448 -16.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.747 2.658 -15.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.248 2.351 -14.574 1.00 0.00 H new ATOM 329 N THR A 23 3.937 4.378 -8.882 1.00 0.00 N ATOM 330 CA THR A 23 4.644 4.693 -7.673 1.00 0.00 C ATOM 331 C THR A 23 5.525 5.922 -7.859 1.00 0.00 C ATOM 332 O THR A 23 5.510 6.530 -8.917 1.00 0.00 O ATOM 333 CB THR A 23 5.489 3.486 -7.288 1.00 0.00 C ATOM 334 OG1 THR A 23 6.366 3.173 -8.388 1.00 0.00 O ATOM 335 CG2 THR A 23 4.585 2.285 -7.005 1.00 0.00 C ATOM 0 H THR A 23 4.425 3.737 -9.508 1.00 0.00 H new ATOM 0 HA THR A 23 3.931 4.922 -6.881 1.00 0.00 H new ATOM 0 HB THR A 23 6.068 3.712 -6.393 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.298 3.267 -8.100 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.197 1.426 -6.730 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.907 2.525 -6.186 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.006 2.047 -7.897 1.00 0.00 H new ATOM 343 N MET A 24 6.303 6.287 -6.839 1.00 0.00 N ATOM 344 CA MET A 24 7.234 7.408 -6.936 1.00 0.00 C ATOM 345 C MET A 24 8.343 7.113 -7.959 1.00 0.00 C ATOM 346 O MET A 24 8.997 8.017 -8.486 1.00 0.00 O ATOM 347 CB MET A 24 7.827 7.748 -5.560 1.00 0.00 C ATOM 348 CG MET A 24 8.582 6.638 -4.877 1.00 0.00 C ATOM 349 SD MET A 24 9.316 7.168 -3.319 1.00 0.00 S ATOM 350 CE MET A 24 10.178 5.673 -2.833 1.00 0.00 C ATOM 0 H MET A 24 6.305 5.819 -5.933 1.00 0.00 H new ATOM 0 HA MET A 24 6.680 8.279 -7.286 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.497 8.600 -5.675 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.016 8.066 -4.905 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.907 5.802 -4.692 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.366 6.273 -5.540 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.686 5.838 -1.883 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.461 4.859 -2.725 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.912 5.412 -3.596 1.00 0.00 H new ATOM 360 N SER A 25 8.526 5.849 -8.239 1.00 0.00 N ATOM 361 CA SER A 25 9.454 5.386 -9.215 1.00 0.00 C ATOM 362 C SER A 25 8.759 5.188 -10.574 1.00 0.00 C ATOM 363 O SER A 25 9.384 4.789 -11.556 1.00 0.00 O ATOM 364 CB SER A 25 10.052 4.097 -8.695 1.00 0.00 C ATOM 365 OG SER A 25 9.052 3.360 -7.977 1.00 0.00 O ATOM 0 H SER A 25 8.014 5.098 -7.776 1.00 0.00 H new ATOM 0 HA SER A 25 10.245 6.118 -9.378 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.433 3.500 -9.524 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.898 4.313 -8.042 1.00 0.00 H new ATOM 0 HG SER A 25 9.126 3.556 -7.020 1.00 0.00 H new ATOM 371 N GLY A 26 7.456 5.469 -10.601 1.00 0.00 N ATOM 372 CA GLY A 26 6.663 5.350 -11.797 1.00 0.00 C ATOM 373 C GLY A 26 6.417 3.925 -12.196 1.00 0.00 C ATOM 374 O GLY A 26 6.145 3.629 -13.361 1.00 0.00 O ATOM 0 H GLY A 26 6.931 5.785 -9.785 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.706 5.849 -11.643 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.166 5.869 -12.613 1.00 0.00 H new ATOM 378 N LEU A 27 6.508 3.040 -11.246 1.00 0.00 N ATOM 379 CA LEU A 27 6.262 1.655 -11.489 1.00 0.00 C ATOM 380 C LEU A 27 4.793 1.410 -11.449 1.00 0.00 C ATOM 381 O LEU A 27 4.045 2.189 -10.873 1.00 0.00 O ATOM 382 CB LEU A 27 6.938 0.805 -10.439 1.00 0.00 C ATOM 383 CG LEU A 27 8.471 0.742 -10.490 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.019 0.070 -9.247 1.00 0.00 C ATOM 385 CD2 LEU A 27 8.917 -0.032 -11.714 1.00 0.00 C ATOM 0 H LEU A 27 6.755 3.262 -10.282 1.00 0.00 H new ATOM 0 HA LEU A 27 6.663 1.389 -12.467 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.645 1.178 -9.458 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.552 -0.211 -10.522 1.00 0.00 H new ATOM 0 HG LEU A 27 8.854 1.761 -10.541 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.107 0.035 -9.302 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.718 0.636 -8.365 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.626 -0.945 -9.179 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.006 -0.072 -11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.518 -1.045 -11.669 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.549 0.464 -12.612 1.00 0.00 H new ATOM 397 N GLU A 28 4.387 0.341 -12.029 1.00 0.00 N ATOM 398 CA GLU A 28 3.000 0.000 -12.068 1.00 0.00 C ATOM 399 C GLU A 28 2.672 -0.726 -10.796 1.00 0.00 C ATOM 400 O GLU A 28 3.351 -1.724 -10.449 1.00 0.00 O ATOM 401 CB GLU A 28 2.700 -0.920 -13.249 1.00 0.00 C ATOM 402 CG GLU A 28 1.221 -1.144 -13.500 1.00 0.00 C ATOM 403 CD GLU A 28 0.568 0.040 -14.155 1.00 0.00 C ATOM 404 OE1 GLU A 28 0.561 1.150 -13.585 1.00 0.00 O ATOM 405 OE2 GLU A 28 0.091 -0.101 -15.293 1.00 0.00 O ATOM 0 H GLU A 28 5.002 -0.328 -12.493 1.00 0.00 H new ATOM 0 HA GLU A 28 2.405 0.907 -12.176 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.150 -0.498 -14.148 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.178 -1.884 -13.075 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.091 -2.023 -14.131 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.722 -1.354 -12.554 1.00 0.00 H new ATOM 412 N CYS A 29 1.703 -0.243 -10.083 1.00 0.00 N ATOM 413 CA CYS A 29 1.271 -0.916 -8.899 1.00 0.00 C ATOM 414 C CYS A 29 0.581 -2.195 -9.249 1.00 0.00 C ATOM 415 O CYS A 29 -0.035 -2.324 -10.306 1.00 0.00 O ATOM 416 CB CYS A 29 0.370 -0.050 -8.035 1.00 0.00 C ATOM 417 SG CYS A 29 -0.400 -0.932 -6.628 1.00 0.00 S ATOM 0 H CYS A 29 1.196 0.615 -10.300 1.00 0.00 H new ATOM 0 HA CYS A 29 2.163 -1.136 -8.313 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.952 0.787 -7.649 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.418 0.371 -8.660 1.00 0.00 H new ATOM 422 N GLN A 30 0.714 -3.121 -8.382 1.00 0.00 N ATOM 423 CA GLN A 30 0.135 -4.409 -8.519 1.00 0.00 C ATOM 424 C GLN A 30 -1.254 -4.391 -7.913 1.00 0.00 C ATOM 425 O GLN A 30 -1.457 -3.806 -6.855 1.00 0.00 O ATOM 426 CB GLN A 30 0.992 -5.421 -7.792 1.00 0.00 C ATOM 427 CG GLN A 30 0.491 -6.836 -7.925 1.00 0.00 C ATOM 428 CD GLN A 30 1.207 -7.796 -7.036 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.358 -7.603 -6.669 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.547 -8.848 -6.693 1.00 0.00 N ATOM 0 H GLN A 30 1.249 -3.004 -7.521 1.00 0.00 H new ATOM 0 HA GLN A 30 0.072 -4.679 -9.573 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.010 -5.367 -8.177 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.036 -5.157 -6.735 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.574 -6.861 -7.694 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.600 -7.158 -8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.411 -8.977 -7.017 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.983 -9.552 -6.097 1.00 0.00 H new ATOM 439 N ALA A 31 -2.188 -5.022 -8.582 1.00 0.00 N ATOM 440 CA ALA A 31 -3.555 -5.094 -8.123 1.00 0.00 C ATOM 441 C ALA A 31 -3.628 -5.741 -6.754 1.00 0.00 C ATOM 442 O ALA A 31 -3.108 -6.853 -6.553 1.00 0.00 O ATOM 443 CB ALA A 31 -4.395 -5.872 -9.119 1.00 0.00 C ATOM 0 H ALA A 31 -2.021 -5.503 -9.466 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.948 -4.081 -8.042 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.425 -5.922 -8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.367 -5.372 -10.087 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.997 -6.882 -9.221 1.00 0.00 H new ATOM 449 N TRP A 32 -4.265 -5.044 -5.811 1.00 0.00 N ATOM 450 CA TRP A 32 -4.420 -5.511 -4.446 1.00 0.00 C ATOM 451 C TRP A 32 -5.097 -6.883 -4.401 1.00 0.00 C ATOM 452 O TRP A 32 -4.797 -7.706 -3.531 1.00 0.00 O ATOM 453 CB TRP A 32 -5.269 -4.527 -3.634 1.00 0.00 C ATOM 454 CG TRP A 32 -4.700 -3.144 -3.473 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.021 -2.038 -4.199 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.733 -2.716 -2.502 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.325 -0.954 -3.734 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.517 -1.343 -2.709 1.00 0.00 C ATOM 459 CE3 TRP A 32 -3.029 -3.357 -1.483 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.622 -0.600 -1.936 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -2.150 -2.617 -0.720 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.953 -1.255 -0.952 1.00 0.00 C ATOM 0 H TRP A 32 -4.689 -4.132 -5.982 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.421 -5.587 -4.017 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.247 -4.443 -4.109 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.431 -4.950 -2.642 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.721 -2.018 -5.021 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.400 -0.004 -4.098 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.169 -4.411 -1.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.468 0.454 -2.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.602 -3.102 0.074 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.253 -0.710 -0.336 1.00 0.00 H new ATOM 473 N ASP A 33 -5.960 -7.131 -5.358 1.00 0.00 N ATOM 474 CA ASP A 33 -6.766 -8.337 -5.398 1.00 0.00 C ATOM 475 C ASP A 33 -6.047 -9.506 -6.055 1.00 0.00 C ATOM 476 O ASP A 33 -6.522 -10.641 -5.996 1.00 0.00 O ATOM 477 CB ASP A 33 -8.089 -8.061 -6.123 1.00 0.00 C ATOM 478 CG ASP A 33 -7.904 -7.630 -7.564 1.00 0.00 C ATOM 479 OD1 ASP A 33 -7.550 -6.451 -7.799 1.00 0.00 O ATOM 480 OD2 ASP A 33 -8.149 -8.447 -8.480 1.00 0.00 O ATOM 0 H ASP A 33 -6.127 -6.498 -6.140 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.961 -8.623 -4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.705 -8.960 -6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.635 -7.285 -5.586 1.00 0.00 H new ATOM 485 N SER A 34 -4.901 -9.260 -6.635 1.00 0.00 N ATOM 486 CA SER A 34 -4.208 -10.292 -7.334 1.00 0.00 C ATOM 487 C SER A 34 -2.851 -10.544 -6.696 1.00 0.00 C ATOM 488 O SER A 34 -2.089 -9.614 -6.471 1.00 0.00 O ATOM 489 CB SER A 34 -4.044 -9.872 -8.797 1.00 0.00 C ATOM 490 OG SER A 34 -3.440 -10.894 -9.576 1.00 0.00 O ATOM 0 H SER A 34 -4.434 -8.353 -6.633 1.00 0.00 H new ATOM 0 HA SER A 34 -4.780 -11.219 -7.283 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.020 -9.625 -9.216 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.437 -8.968 -8.850 1.00 0.00 H new ATOM 0 HG SER A 34 -3.353 -10.590 -10.504 1.00 0.00 H new ATOM 496 N GLN A 35 -2.546 -11.794 -6.389 1.00 0.00 N ATOM 497 CA GLN A 35 -1.220 -12.144 -5.874 1.00 0.00 C ATOM 498 C GLN A 35 -0.318 -12.588 -7.009 1.00 0.00 C ATOM 499 O GLN A 35 0.709 -13.230 -6.805 1.00 0.00 O ATOM 500 CB GLN A 35 -1.267 -13.212 -4.793 1.00 0.00 C ATOM 501 CG GLN A 35 -1.901 -12.766 -3.497 1.00 0.00 C ATOM 502 CD GLN A 35 -1.714 -13.792 -2.406 1.00 0.00 C ATOM 503 OE1 GLN A 35 -1.656 -14.993 -2.656 1.00 0.00 O ATOM 504 NE2 GLN A 35 -1.570 -13.332 -1.209 1.00 0.00 N ATOM 0 H GLN A 35 -3.188 -12.581 -6.484 1.00 0.00 H new ATOM 0 HA GLN A 35 -0.814 -11.244 -5.411 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.817 -14.072 -5.174 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.251 -13.548 -4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.464 -11.818 -3.185 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.965 -12.590 -3.653 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.624 -12.328 -1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.402 -13.973 -0.433 1.00 0.00 H new ATOM 513 N SER A 36 -0.702 -12.226 -8.182 1.00 0.00 N ATOM 514 CA SER A 36 0.048 -12.493 -9.340 1.00 0.00 C ATOM 515 C SER A 36 0.694 -11.191 -9.741 1.00 0.00 C ATOM 516 O SER A 36 0.103 -10.121 -9.546 1.00 0.00 O ATOM 517 CB SER A 36 -0.876 -12.995 -10.435 1.00 0.00 C ATOM 518 OG SER A 36 -1.591 -14.151 -9.997 1.00 0.00 O ATOM 0 H SER A 36 -1.571 -11.723 -8.359 1.00 0.00 H new ATOM 0 HA SER A 36 0.804 -13.259 -9.167 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.579 -12.210 -10.714 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.296 -13.235 -11.326 1.00 0.00 H new ATOM 0 HG SER A 36 -2.183 -14.461 -10.714 1.00 0.00 H new ATOM 524 N PRO A 37 1.913 -11.234 -10.253 1.00 0.00 N ATOM 525 CA PRO A 37 2.841 -12.413 -10.115 1.00 0.00 C ATOM 526 C PRO A 37 3.577 -12.382 -8.771 1.00 0.00 C ATOM 527 O PRO A 37 4.248 -13.329 -8.365 1.00 0.00 O ATOM 528 CB PRO A 37 3.859 -12.090 -11.203 1.00 0.00 C ATOM 529 CG PRO A 37 3.900 -10.603 -11.153 1.00 0.00 C ATOM 530 CD PRO A 37 2.476 -10.212 -11.141 1.00 0.00 C ATOM 0 HA PRO A 37 2.336 -13.376 -10.183 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.833 -12.533 -10.995 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.544 -12.457 -12.180 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.420 -10.247 -10.264 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.422 -10.188 -12.015 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.328 -9.203 -10.755 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.032 -10.240 -12.136 1.00 0.00 H new ATOM 538 N HIS A 38 3.482 -11.254 -8.156 1.00 0.00 N ATOM 539 CA HIS A 38 4.182 -10.932 -6.927 1.00 0.00 C ATOM 540 C HIS A 38 3.246 -11.120 -5.697 1.00 0.00 C ATOM 541 O HIS A 38 2.065 -10.789 -5.748 1.00 0.00 O ATOM 542 CB HIS A 38 4.679 -9.499 -7.116 1.00 0.00 C ATOM 543 CG HIS A 38 5.451 -8.885 -6.022 1.00 0.00 C ATOM 544 ND1 HIS A 38 5.086 -7.703 -5.471 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.622 -9.221 -5.458 1.00 0.00 C ATOM 546 CE1 HIS A 38 5.988 -7.324 -4.620 1.00 0.00 C ATOM 547 NE2 HIS A 38 6.946 -8.228 -4.585 1.00 0.00 N ATOM 0 H HIS A 38 2.896 -10.491 -8.495 1.00 0.00 H new ATOM 0 HA HIS A 38 5.025 -11.593 -6.726 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.296 -9.475 -8.014 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.812 -8.867 -7.308 1.00 0.00 H new ATOM 0 HD1 HIS A 38 4.233 -7.190 -5.692 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.199 -10.112 -5.659 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.959 -6.416 -4.036 1.00 0.00 H new ATOM 556 N ALA A 39 3.778 -11.618 -4.596 1.00 0.00 N ATOM 557 CA ALA A 39 2.958 -11.999 -3.461 1.00 0.00 C ATOM 558 C ALA A 39 2.755 -10.844 -2.498 1.00 0.00 C ATOM 559 O ALA A 39 3.564 -9.906 -2.462 1.00 0.00 O ATOM 560 CB ALA A 39 3.590 -13.182 -2.752 1.00 0.00 C ATOM 0 H ALA A 39 4.778 -11.768 -4.464 1.00 0.00 H new ATOM 0 HA ALA A 39 1.973 -12.282 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.973 -13.467 -1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.666 -14.022 -3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.586 -12.908 -2.404 1.00 0.00 H new ATOM 566 N HIS A 40 1.663 -10.906 -1.729 1.00 0.00 N ATOM 567 CA HIS A 40 1.331 -9.895 -0.730 1.00 0.00 C ATOM 568 C HIS A 40 0.056 -10.335 -0.004 1.00 0.00 C ATOM 569 O HIS A 40 -0.909 -10.746 -0.659 1.00 0.00 O ATOM 570 CB HIS A 40 1.132 -8.484 -1.380 1.00 0.00 C ATOM 571 CG HIS A 40 -0.150 -8.276 -2.147 1.00 0.00 C ATOM 572 ND1 HIS A 40 -0.338 -8.602 -3.460 1.00 0.00 N ATOM 573 CD2 HIS A 40 -1.324 -7.789 -1.725 1.00 0.00 C ATOM 574 CE1 HIS A 40 -1.583 -8.324 -3.782 1.00 0.00 C ATOM 575 NE2 HIS A 40 -2.187 -7.831 -2.747 1.00 0.00 N ATOM 0 H HIS A 40 0.983 -11.665 -1.785 1.00 0.00 H new ATOM 0 HA HIS A 40 2.157 -9.806 -0.024 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.184 -7.734 -0.591 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.968 -8.297 -2.054 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.538 -7.425 -0.731 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.030 -8.481 -4.753 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.160 -7.525 -2.716 1.00 0.00 H new ATOM 584 N GLY A 41 0.021 -10.225 1.298 1.00 0.00 N ATOM 585 CA GLY A 41 -1.139 -10.657 2.038 1.00 0.00 C ATOM 586 C GLY A 41 -2.185 -9.588 2.225 1.00 0.00 C ATOM 587 O GLY A 41 -2.921 -9.616 3.207 1.00 0.00 O ATOM 0 H GLY A 41 0.777 -9.843 1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.590 -11.505 1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.820 -11.013 3.018 1.00 0.00 H new ATOM 591 N TYR A 42 -2.310 -8.672 1.291 1.00 0.00 N ATOM 592 CA TYR A 42 -3.316 -7.650 1.442 1.00 0.00 C ATOM 593 C TYR A 42 -4.474 -7.959 0.563 1.00 0.00 C ATOM 594 O TYR A 42 -4.546 -7.505 -0.575 1.00 0.00 O ATOM 595 CB TYR A 42 -2.821 -6.199 1.240 1.00 0.00 C ATOM 596 CG TYR A 42 -2.014 -5.601 2.383 1.00 0.00 C ATOM 597 CD1 TYR A 42 -0.683 -5.916 2.566 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.595 -4.682 3.259 1.00 0.00 C ATOM 599 CE1 TYR A 42 0.054 -5.346 3.586 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.861 -4.099 4.278 1.00 0.00 C ATOM 601 CZ TYR A 42 -0.537 -4.435 4.438 1.00 0.00 C ATOM 602 OH TYR A 42 0.211 -3.844 5.446 1.00 0.00 O ATOM 0 H TYR A 42 -1.745 -8.614 0.443 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.618 -7.677 2.489 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.212 -6.167 0.337 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.688 -5.563 1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.209 -6.621 1.900 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.636 -4.421 3.140 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.092 -5.613 3.717 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.325 -3.385 4.943 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.196 -4.043 6.315 1.00 0.00 H new ATOM 612 N ILE A 43 -5.286 -8.859 1.040 1.00 0.00 N ATOM 613 CA ILE A 43 -6.522 -9.212 0.356 1.00 0.00 C ATOM 614 C ILE A 43 -7.566 -8.080 0.577 1.00 0.00 C ATOM 615 O ILE A 43 -7.889 -7.744 1.719 1.00 0.00 O ATOM 616 CB ILE A 43 -7.110 -10.601 0.853 1.00 0.00 C ATOM 617 CG1 ILE A 43 -6.184 -11.803 0.520 1.00 0.00 C ATOM 618 CG2 ILE A 43 -8.501 -10.858 0.283 1.00 0.00 C ATOM 619 CD1 ILE A 43 -4.920 -11.913 1.351 1.00 0.00 C ATOM 0 H ILE A 43 -5.122 -9.372 1.906 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.301 -9.322 -0.706 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.175 -10.520 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.757 -12.723 0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.901 -11.739 -0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.871 -11.817 0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.177 -10.065 0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.450 -10.876 -0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.351 -12.787 1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.315 -11.016 1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.184 -12.015 2.404 1.00 0.00 H new ATOM 631 N PRO A 44 -8.132 -7.502 -0.507 1.00 0.00 N ATOM 632 CA PRO A 44 -9.100 -6.380 -0.414 1.00 0.00 C ATOM 633 C PRO A 44 -10.398 -6.762 0.267 1.00 0.00 C ATOM 634 O PRO A 44 -11.092 -5.914 0.831 1.00 0.00 O ATOM 635 CB PRO A 44 -9.393 -6.025 -1.872 1.00 0.00 C ATOM 636 CG PRO A 44 -8.279 -6.613 -2.645 1.00 0.00 C ATOM 637 CD PRO A 44 -7.858 -7.849 -1.909 1.00 0.00 C ATOM 0 HA PRO A 44 -8.684 -5.566 0.180 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.352 -6.432 -2.191 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.443 -4.945 -2.012 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.596 -6.854 -3.660 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.450 -5.910 -2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.426 -8.723 -2.228 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.804 -8.077 -2.071 1.00 0.00 H new ATOM 645 N SER A 45 -10.699 -8.027 0.241 1.00 0.00 N ATOM 646 CA SER A 45 -11.928 -8.539 0.761 1.00 0.00 C ATOM 647 C SER A 45 -11.902 -8.580 2.294 1.00 0.00 C ATOM 648 O SER A 45 -12.947 -8.596 2.948 1.00 0.00 O ATOM 649 CB SER A 45 -12.135 -9.930 0.176 1.00 0.00 C ATOM 650 OG SER A 45 -12.058 -9.882 -1.253 1.00 0.00 O ATOM 0 H SER A 45 -10.085 -8.742 -0.149 1.00 0.00 H new ATOM 0 HA SER A 45 -12.756 -7.889 0.480 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.379 -10.612 0.565 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.105 -10.321 0.482 1.00 0.00 H new ATOM 0 HG SER A 45 -12.191 -10.782 -1.618 1.00 0.00 H new ATOM 656 N LYS A 46 -10.710 -8.568 2.869 1.00 0.00 N ATOM 657 CA LYS A 46 -10.590 -8.645 4.271 1.00 0.00 C ATOM 658 C LYS A 46 -10.272 -7.279 4.877 1.00 0.00 C ATOM 659 O LYS A 46 -10.405 -7.074 6.092 1.00 0.00 O ATOM 660 CB LYS A 46 -9.564 -9.694 4.629 1.00 0.00 C ATOM 661 CG LYS A 46 -8.120 -9.343 4.336 1.00 0.00 C ATOM 662 CD LYS A 46 -7.184 -10.502 4.657 1.00 0.00 C ATOM 663 CE LYS A 46 -7.254 -10.898 6.124 1.00 0.00 C ATOM 664 NZ LYS A 46 -6.375 -12.032 6.433 1.00 0.00 N ATOM 0 H LYS A 46 -9.826 -8.505 2.365 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.545 -8.948 4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.654 -9.913 5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.810 -10.611 4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.017 -9.072 3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.832 -8.469 4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.443 -11.360 4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.161 -10.223 4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.975 -10.045 6.743 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.281 -11.156 6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.455 -12.268 7.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.656 -12.855 5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.391 -11.778 6.213 1.00 0.00 H new ATOM 678 N PHE A 47 -9.871 -6.347 4.034 1.00 0.00 N ATOM 679 CA PHE A 47 -9.599 -4.983 4.479 1.00 0.00 C ATOM 680 C PHE A 47 -10.491 -4.005 3.690 1.00 0.00 C ATOM 681 O PHE A 47 -10.038 -3.374 2.729 1.00 0.00 O ATOM 682 CB PHE A 47 -8.108 -4.610 4.307 1.00 0.00 C ATOM 683 CG PHE A 47 -7.135 -5.588 4.928 1.00 0.00 C ATOM 684 CD1 PHE A 47 -7.129 -5.826 6.291 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.221 -6.266 4.140 1.00 0.00 C ATOM 686 CE1 PHE A 47 -6.247 -6.717 6.847 1.00 0.00 C ATOM 687 CE2 PHE A 47 -5.330 -7.160 4.704 1.00 0.00 C ATOM 688 CZ PHE A 47 -5.346 -7.384 6.056 1.00 0.00 C ATOM 0 H PHE A 47 -9.725 -6.504 3.037 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.827 -4.916 5.543 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.889 -4.527 3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.941 -3.626 4.744 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.829 -5.303 6.926 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.204 -6.095 3.074 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.262 -6.894 7.912 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.621 -7.682 4.079 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.651 -8.083 6.497 1.00 0.00 H new ATOM 698 N PRO A 48 -11.780 -3.886 4.069 1.00 0.00 N ATOM 699 CA PRO A 48 -12.764 -3.110 3.298 1.00 0.00 C ATOM 700 C PRO A 48 -12.629 -1.595 3.433 1.00 0.00 C ATOM 701 O PRO A 48 -12.628 -0.874 2.437 1.00 0.00 O ATOM 702 CB PRO A 48 -14.092 -3.575 3.886 1.00 0.00 C ATOM 703 CG PRO A 48 -13.761 -3.910 5.297 1.00 0.00 C ATOM 704 CD PRO A 48 -12.390 -4.505 5.261 1.00 0.00 C ATOM 0 HA PRO A 48 -12.642 -3.281 2.228 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -14.850 -2.794 3.828 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.484 -4.440 3.352 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.785 -3.021 5.927 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.482 -4.614 5.712 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.828 -4.274 6.166 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.425 -5.591 5.176 1.00 0.00 H new ATOM 712 N ASN A 49 -12.452 -1.118 4.644 1.00 0.00 N ATOM 713 CA ASN A 49 -12.397 0.314 4.912 1.00 0.00 C ATOM 714 C ASN A 49 -11.064 0.917 4.522 1.00 0.00 C ATOM 715 O ASN A 49 -10.852 2.122 4.639 1.00 0.00 O ATOM 716 CB ASN A 49 -12.698 0.624 6.381 1.00 0.00 C ATOM 717 CG ASN A 49 -11.660 0.105 7.379 1.00 0.00 C ATOM 718 OD1 ASN A 49 -11.039 -0.941 7.181 1.00 0.00 O ATOM 719 ND2 ASN A 49 -11.428 0.861 8.420 1.00 0.00 N ATOM 0 H ASN A 49 -12.342 -1.703 5.472 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.169 0.770 4.293 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -12.784 1.704 6.498 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.669 0.198 6.635 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.715 0.591 9.098 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.960 1.721 8.555 1.00 0.00 H new ATOM 726 N LYS A 50 -10.169 0.088 4.053 1.00 0.00 N ATOM 727 CA LYS A 50 -8.881 0.542 3.670 1.00 0.00 C ATOM 728 C LYS A 50 -8.840 0.849 2.167 1.00 0.00 C ATOM 729 O LYS A 50 -7.811 1.253 1.633 1.00 0.00 O ATOM 730 CB LYS A 50 -7.839 -0.488 4.054 1.00 0.00 C ATOM 731 CG LYS A 50 -7.797 -0.868 5.541 1.00 0.00 C ATOM 732 CD LYS A 50 -7.812 0.359 6.460 1.00 0.00 C ATOM 733 CE LYS A 50 -7.591 -0.014 7.926 1.00 0.00 C ATOM 734 NZ LYS A 50 -8.519 -1.061 8.418 1.00 0.00 N ATOM 0 H LYS A 50 -10.322 -0.913 3.931 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.657 1.469 4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.016 -1.392 3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.858 -0.110 3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.651 -1.504 5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.900 -1.455 5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.037 1.057 6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.767 0.875 6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.565 -0.360 8.054 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.705 0.879 8.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.519 -1.064 9.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.480 -0.863 8.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.210 -1.991 8.069 1.00 0.00 H new ATOM 748 N ASN A 51 -9.988 0.628 1.513 1.00 0.00 N ATOM 749 CA ASN A 51 -10.221 0.938 0.094 1.00 0.00 C ATOM 750 C ASN A 51 -9.223 0.299 -0.859 1.00 0.00 C ATOM 751 O ASN A 51 -8.790 0.938 -1.820 1.00 0.00 O ATOM 752 CB ASN A 51 -10.287 2.457 -0.166 1.00 0.00 C ATOM 753 CG ASN A 51 -11.497 3.149 0.437 1.00 0.00 C ATOM 754 OD1 ASN A 51 -12.001 2.776 1.498 1.00 0.00 O ATOM 755 ND2 ASN A 51 -12.031 4.100 -0.273 1.00 0.00 N ATOM 0 H ASN A 51 -10.803 0.217 1.968 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.193 0.493 -0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.384 2.920 0.232 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.285 2.629 -1.242 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.887 4.555 0.045 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.594 4.390 -1.148 1.00 0.00 H new ATOM 762 N LEU A 52 -8.900 -0.960 -0.641 1.00 0.00 N ATOM 763 CA LEU A 52 -8.000 -1.694 -1.534 1.00 0.00 C ATOM 764 C LEU A 52 -8.688 -1.945 -2.856 1.00 0.00 C ATOM 765 O LEU A 52 -9.454 -2.904 -3.006 1.00 0.00 O ATOM 766 CB LEU A 52 -7.541 -3.021 -0.913 1.00 0.00 C ATOM 767 CG LEU A 52 -6.335 -2.989 0.032 1.00 0.00 C ATOM 768 CD1 LEU A 52 -6.525 -2.011 1.151 1.00 0.00 C ATOM 769 CD2 LEU A 52 -6.066 -4.370 0.593 1.00 0.00 C ATOM 0 H LEU A 52 -9.245 -1.506 0.149 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.111 -1.084 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.384 -3.444 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.311 -3.709 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.475 -2.662 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.647 -2.021 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.662 -1.011 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.405 -2.289 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.206 -4.330 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.940 -4.715 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.858 -5.060 -0.224 1.00 0.00 H new ATOM 781 N LYS A 53 -8.460 -1.064 -3.802 1.00 0.00 N ATOM 782 CA LYS A 53 -9.144 -1.141 -5.054 1.00 0.00 C ATOM 783 C LYS A 53 -8.178 -1.081 -6.182 1.00 0.00 C ATOM 784 O LYS A 53 -7.191 -0.325 -6.139 1.00 0.00 O ATOM 785 CB LYS A 53 -10.155 -0.021 -5.202 1.00 0.00 C ATOM 786 CG LYS A 53 -11.093 0.136 -4.009 1.00 0.00 C ATOM 787 CD LYS A 53 -12.000 1.328 -4.151 1.00 0.00 C ATOM 788 CE LYS A 53 -12.881 1.473 -2.927 1.00 0.00 C ATOM 789 NZ LYS A 53 -13.732 2.665 -3.012 1.00 0.00 N ATOM 0 H LYS A 53 -7.804 -0.288 -3.720 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.672 -2.094 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.622 0.917 -5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.751 -0.200 -6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.696 -0.766 -3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.504 0.236 -3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.405 2.231 -4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.619 1.217 -5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.506 0.586 -2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.258 1.533 -2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.489 2.603 -2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.159 3.514 -2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.153 2.724 -3.961 1.00 0.00 H new ATOM 803 N LYS A 54 -8.500 -1.846 -7.190 1.00 0.00 N ATOM 804 CA LYS A 54 -7.713 -2.007 -8.399 1.00 0.00 C ATOM 805 C LYS A 54 -6.237 -2.244 -8.063 1.00 0.00 C ATOM 806 O LYS A 54 -5.882 -3.195 -7.362 1.00 0.00 O ATOM 807 CB LYS A 54 -7.888 -0.785 -9.334 1.00 0.00 C ATOM 808 CG LYS A 54 -9.317 -0.503 -9.786 1.00 0.00 C ATOM 809 CD LYS A 54 -9.875 -1.618 -10.646 1.00 0.00 C ATOM 810 CE LYS A 54 -11.246 -1.247 -11.187 1.00 0.00 C ATOM 811 NZ LYS A 54 -11.787 -2.276 -12.094 1.00 0.00 N ATOM 0 H LYS A 54 -9.355 -2.402 -7.198 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.077 -2.887 -8.929 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.506 0.099 -8.823 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.269 -0.935 -10.218 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.953 -0.368 -8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.342 0.432 -10.345 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.195 -1.820 -11.474 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.946 -2.535 -10.060 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.935 -1.101 -10.355 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.180 -0.297 -11.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.723 -1.979 -12.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.144 -2.399 -12.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.876 -3.177 -11.583 1.00 0.00 H new ATOM 825 N ASN A 55 -5.423 -1.348 -8.521 1.00 0.00 N ATOM 826 CA ASN A 55 -4.011 -1.333 -8.290 1.00 0.00 C ATOM 827 C ASN A 55 -3.672 0.110 -8.007 1.00 0.00 C ATOM 828 O ASN A 55 -2.635 0.633 -8.383 1.00 0.00 O ATOM 829 CB ASN A 55 -3.270 -1.892 -9.535 1.00 0.00 C ATOM 830 CG ASN A 55 -3.485 -1.103 -10.819 1.00 0.00 C ATOM 831 OD1 ASN A 55 -2.551 -0.268 -11.167 1.00 0.00 O flip ATOM 832 ND2 ASN A 55 -4.473 -1.303 -11.522 1.00 0.00 N flip ATOM 0 H ASN A 55 -5.739 -0.567 -9.095 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.704 -1.963 -7.455 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.202 -1.923 -9.320 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.592 -2.920 -9.700 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.188 -1.965 -11.220 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.578 -0.807 -12.407 1.00 0.00 H new ATOM 839 N TYR A 56 -4.605 0.746 -7.329 1.00 0.00 N ATOM 840 CA TYR A 56 -4.515 2.135 -6.977 1.00 0.00 C ATOM 841 C TYR A 56 -3.809 2.302 -5.650 1.00 0.00 C ATOM 842 O TYR A 56 -4.045 1.527 -4.726 1.00 0.00 O ATOM 843 CB TYR A 56 -5.916 2.743 -6.902 1.00 0.00 C ATOM 844 CG TYR A 56 -6.678 2.818 -8.217 1.00 0.00 C ATOM 845 CD1 TYR A 56 -6.035 2.678 -9.435 1.00 0.00 C ATOM 846 CD2 TYR A 56 -8.043 3.049 -8.228 1.00 0.00 C ATOM 847 CE1 TYR A 56 -6.718 2.762 -10.625 1.00 0.00 C ATOM 848 CE2 TYR A 56 -8.739 3.133 -9.416 1.00 0.00 C ATOM 849 CZ TYR A 56 -8.070 2.990 -10.611 1.00 0.00 C ATOM 850 OH TYR A 56 -8.759 3.072 -11.798 1.00 0.00 O ATOM 0 H TYR A 56 -5.461 0.297 -7.004 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.938 2.652 -7.744 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.507 2.161 -6.195 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.833 3.750 -6.494 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.970 2.498 -9.451 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.571 3.165 -7.293 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.194 2.649 -11.563 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.804 3.310 -9.409 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.708 3.236 -11.615 1.00 0.00 H new ATOM 860 N CYS A 57 -2.977 3.324 -5.554 1.00 0.00 N ATOM 861 CA CYS A 57 -2.206 3.594 -4.356 1.00 0.00 C ATOM 862 C CYS A 57 -3.127 3.895 -3.202 1.00 0.00 C ATOM 863 O CYS A 57 -4.031 4.745 -3.304 1.00 0.00 O ATOM 864 CB CYS A 57 -1.236 4.751 -4.575 1.00 0.00 C ATOM 865 SG CYS A 57 0.028 4.441 -5.853 1.00 0.00 S ATOM 0 H CYS A 57 -2.817 3.992 -6.308 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.622 2.704 -4.121 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.805 5.639 -4.851 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.736 4.973 -3.632 1.00 0.00 H new ATOM 870 N ARG A 58 -2.922 3.199 -2.122 1.00 0.00 N ATOM 871 CA ARG A 58 -3.767 3.304 -0.966 1.00 0.00 C ATOM 872 C ARG A 58 -2.922 3.405 0.280 1.00 0.00 C ATOM 873 O ARG A 58 -1.696 3.276 0.215 1.00 0.00 O ATOM 874 CB ARG A 58 -4.704 2.070 -0.882 1.00 0.00 C ATOM 875 CG ARG A 58 -5.747 1.967 -1.980 1.00 0.00 C ATOM 876 CD ARG A 58 -6.587 3.232 -2.055 1.00 0.00 C ATOM 877 NE ARG A 58 -7.639 3.149 -3.073 1.00 0.00 N ATOM 878 CZ ARG A 58 -7.709 3.928 -4.155 1.00 0.00 C ATOM 879 NH1 ARG A 58 -6.702 4.743 -4.465 1.00 0.00 N ATOM 880 NH2 ARG A 58 -8.775 3.876 -4.947 1.00 0.00 N ATOM 0 H ARG A 58 -2.155 2.535 -2.017 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.378 4.203 -1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.092 1.168 -0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.215 2.088 0.081 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.256 1.795 -2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.392 1.108 -1.794 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.041 3.420 -1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.940 4.081 -2.274 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.368 2.447 -2.946 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.871 4.774 -3.874 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.762 5.336 -5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.542 3.240 -4.729 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.826 4.472 -5.773 1.00 0.00 H new ATOM 894 N ASN A 59 -3.566 3.659 1.389 1.00 0.00 N ATOM 895 CA ASN A 59 -2.916 3.681 2.689 1.00 0.00 C ATOM 896 C ASN A 59 -3.793 2.872 3.642 1.00 0.00 C ATOM 897 O ASN A 59 -4.704 3.404 4.277 1.00 0.00 O ATOM 898 CB ASN A 59 -2.699 5.131 3.216 1.00 0.00 C ATOM 899 CG ASN A 59 -1.935 5.206 4.549 1.00 0.00 C ATOM 900 OD1 ASN A 59 -1.935 4.284 5.344 1.00 0.00 O ATOM 901 ND2 ASN A 59 -1.335 6.335 4.823 1.00 0.00 N ATOM 0 H ASN A 59 -4.566 3.859 1.424 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.920 3.245 2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.154 5.702 2.464 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.670 5.611 3.338 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.856 6.455 5.716 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.346 7.096 4.144 1.00 0.00 H new ATOM 908 N PRO A 60 -3.614 1.552 3.643 1.00 0.00 N ATOM 909 CA PRO A 60 -4.401 0.656 4.486 1.00 0.00 C ATOM 910 C PRO A 60 -3.761 0.380 5.842 1.00 0.00 C ATOM 911 O PRO A 60 -4.440 0.169 6.846 1.00 0.00 O ATOM 912 CB PRO A 60 -4.389 -0.625 3.661 1.00 0.00 C ATOM 913 CG PRO A 60 -3.045 -0.631 2.992 1.00 0.00 C ATOM 914 CD PRO A 60 -2.669 0.809 2.768 1.00 0.00 C ATOM 0 HA PRO A 60 -5.382 1.070 4.719 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.522 -1.504 4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.196 -0.633 2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.304 -1.132 3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.085 -1.172 2.047 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.632 1.001 3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.780 1.095 1.722 1.00 0.00 H new ATOM 922 N ASP A 61 -2.477 0.392 5.831 1.00 0.00 N ATOM 923 CA ASP A 61 -1.635 0.012 6.929 1.00 0.00 C ATOM 924 C ASP A 61 -1.416 1.140 7.904 1.00 0.00 C ATOM 925 O ASP A 61 -1.247 0.914 9.106 1.00 0.00 O ATOM 926 CB ASP A 61 -0.300 -0.434 6.357 1.00 0.00 C ATOM 927 CG ASP A 61 0.471 0.670 5.629 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.149 1.497 4.955 1.00 0.00 O ATOM 929 OD2 ASP A 61 1.718 0.679 5.704 1.00 0.00 O ATOM 0 H ASP A 61 -1.945 0.683 5.011 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.123 -0.791 7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.319 -0.820 7.167 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.471 -1.259 5.665 1.00 0.00 H new ATOM 934 N ARG A 62 -1.451 2.329 7.394 1.00 0.00 N ATOM 935 CA ARG A 62 -1.188 3.540 8.123 1.00 0.00 C ATOM 936 C ARG A 62 0.272 3.781 8.347 1.00 0.00 C ATOM 937 O ARG A 62 0.779 3.720 9.473 1.00 0.00 O ATOM 938 CB ARG A 62 -2.061 3.819 9.380 1.00 0.00 C ATOM 939 CG ARG A 62 -3.507 4.163 9.058 1.00 0.00 C ATOM 940 CD ARG A 62 -4.312 2.951 8.626 1.00 0.00 C ATOM 941 NE ARG A 62 -5.143 2.417 9.712 1.00 0.00 N ATOM 942 CZ ARG A 62 -4.906 1.310 10.431 1.00 0.00 C ATOM 943 NH1 ARG A 62 -3.710 0.722 10.414 1.00 0.00 N ATOM 944 NH2 ARG A 62 -5.867 0.836 11.213 1.00 0.00 N ATOM 0 H ARG A 62 -1.674 2.496 6.413 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.542 4.307 7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.041 2.942 10.027 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.618 4.641 9.943 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.974 4.611 9.935 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.531 4.912 8.266 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.949 3.222 7.784 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.634 2.173 8.275 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.987 2.941 9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.957 1.113 9.848 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.547 -0.119 10.967 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.768 1.312 11.260 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.705 -0.005 11.767 1.00 0.00 H new ATOM 958 N ASP A 63 0.971 3.891 7.243 1.00 0.00 N ATOM 959 CA ASP A 63 2.314 4.416 7.228 1.00 0.00 C ATOM 960 C ASP A 63 2.151 5.959 7.139 1.00 0.00 C ATOM 961 O ASP A 63 1.056 6.488 7.437 1.00 0.00 O ATOM 962 CB ASP A 63 3.096 3.862 6.007 1.00 0.00 C ATOM 963 CG ASP A 63 4.568 4.251 6.044 1.00 0.00 C ATOM 964 OD1 ASP A 63 5.334 3.670 6.842 1.00 0.00 O ATOM 965 OD2 ASP A 63 4.963 5.183 5.340 1.00 0.00 O ATOM 0 H ASP A 63 0.622 3.617 6.325 1.00 0.00 H new ATOM 0 HA ASP A 63 2.880 4.127 8.114 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.009 2.776 5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.645 4.237 5.088 1.00 0.00 H new ATOM 970 N LEU A 64 3.154 6.671 6.720 1.00 0.00 N ATOM 971 CA LEU A 64 3.084 8.110 6.674 1.00 0.00 C ATOM 972 C LEU A 64 2.357 8.559 5.417 1.00 0.00 C ATOM 973 O LEU A 64 1.540 9.477 5.446 1.00 0.00 O ATOM 974 CB LEU A 64 4.491 8.758 6.709 1.00 0.00 C ATOM 975 CG LEU A 64 5.349 8.606 7.993 1.00 0.00 C ATOM 976 CD1 LEU A 64 5.809 7.171 8.228 1.00 0.00 C ATOM 977 CD2 LEU A 64 6.545 9.545 7.936 1.00 0.00 C ATOM 0 H LEU A 64 4.040 6.279 6.401 1.00 0.00 H new ATOM 0 HA LEU A 64 2.536 8.436 7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.065 8.348 5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.369 9.824 6.517 1.00 0.00 H new ATOM 0 HG LEU A 64 4.714 8.874 8.837 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.405 7.125 9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.939 6.522 8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.412 6.839 7.383 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.141 9.431 8.842 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.156 9.303 7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.196 10.575 7.859 1.00 0.00 H new ATOM 989 N ARG A 65 2.609 7.873 4.334 1.00 0.00 N ATOM 990 CA ARG A 65 2.097 8.272 3.041 1.00 0.00 C ATOM 991 C ARG A 65 1.714 7.045 2.235 1.00 0.00 C ATOM 992 O ARG A 65 2.368 6.020 2.368 1.00 0.00 O ATOM 993 CB ARG A 65 3.174 9.118 2.316 1.00 0.00 C ATOM 994 CG ARG A 65 2.888 9.441 0.853 1.00 0.00 C ATOM 995 CD ARG A 65 3.880 10.444 0.299 1.00 0.00 C ATOM 996 NE ARG A 65 5.283 10.046 0.492 1.00 0.00 N ATOM 997 CZ ARG A 65 6.303 10.920 0.556 1.00 0.00 C ATOM 998 NH1 ARG A 65 6.082 12.217 0.352 1.00 0.00 N ATOM 999 NH2 ARG A 65 7.539 10.495 0.791 1.00 0.00 N ATOM 0 H ARG A 65 3.173 7.023 4.318 1.00 0.00 H new ATOM 0 HA ARG A 65 1.199 8.879 3.160 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.299 10.055 2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.125 8.588 2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.928 8.525 0.263 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.877 9.838 0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.692 10.580 -0.766 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.715 11.409 0.777 1.00 0.00 H new ATOM 0 HE ARG A 65 5.494 9.052 0.582 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.139 12.548 0.147 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.856 12.880 0.401 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.719 9.500 0.924 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.308 11.164 0.838 1.00 0.00 H new ATOM 1013 N PRO A 66 0.602 7.119 1.436 1.00 0.00 N ATOM 1014 CA PRO A 66 0.164 6.027 0.553 1.00 0.00 C ATOM 1015 C PRO A 66 1.288 5.445 -0.300 1.00 0.00 C ATOM 1016 O PRO A 66 2.288 6.118 -0.638 1.00 0.00 O ATOM 1017 CB PRO A 66 -0.884 6.695 -0.327 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.500 7.676 0.586 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.354 8.251 1.374 1.00 0.00 C ATOM 0 HA PRO A 66 -0.205 5.175 1.124 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.435 7.177 -1.196 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.614 5.978 -0.702 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.027 8.453 0.032 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.230 7.201 1.241 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.080 9.121 0.881 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.667 8.571 2.368 1.00 0.00 H new ATOM 1027 N TRP A 67 1.078 4.250 -0.706 1.00 0.00 N ATOM 1028 CA TRP A 67 2.050 3.455 -1.353 1.00 0.00 C ATOM 1029 C TRP A 67 1.306 2.417 -2.126 1.00 0.00 C ATOM 1030 O TRP A 67 0.056 2.410 -2.104 1.00 0.00 O ATOM 1031 CB TRP A 67 2.986 2.797 -0.302 1.00 0.00 C ATOM 1032 CG TRP A 67 2.259 2.010 0.760 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.829 2.476 1.965 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.877 0.625 0.710 1.00 0.00 C ATOM 1035 NE1 TRP A 67 1.198 1.482 2.651 1.00 0.00 N ATOM 1036 CE2 TRP A 67 1.210 0.334 1.904 1.00 0.00 C ATOM 1037 CE3 TRP A 67 2.026 -0.385 -0.235 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 0.696 -0.940 2.176 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 1.522 -1.630 0.033 1.00 0.00 C ATOM 1040 CH2 TRP A 67 0.863 -1.899 1.228 1.00 0.00 C ATOM 0 H TRP A 67 0.181 3.777 -0.591 1.00 0.00 H new ATOM 0 HA TRP A 67 2.677 4.052 -2.015 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.684 2.136 -0.816 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.579 3.575 0.179 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.968 3.485 2.324 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.781 1.578 3.577 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.533 -0.190 -1.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.186 -1.152 3.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.638 -2.417 -0.697 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.476 -2.891 1.406 1.00 0.00 H new ATOM 1051 N CYS A 68 2.009 1.558 -2.790 1.00 0.00 N ATOM 1052 CA CYS A 68 1.376 0.529 -3.520 1.00 0.00 C ATOM 1053 C CYS A 68 2.362 -0.602 -3.734 1.00 0.00 C ATOM 1054 O CYS A 68 3.588 -0.403 -3.593 1.00 0.00 O ATOM 1055 CB CYS A 68 0.873 1.083 -4.841 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.776 0.499 -5.286 1.00 0.00 S ATOM 0 H CYS A 68 3.028 1.556 -2.837 1.00 0.00 H new ATOM 0 HA CYS A 68 0.519 0.141 -2.969 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.862 2.172 -4.789 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.572 0.809 -5.631 1.00 0.00 H new ATOM 1061 N PHE A 69 1.857 -1.786 -4.009 1.00 0.00 N ATOM 1062 CA PHE A 69 2.707 -2.916 -4.273 1.00 0.00 C ATOM 1063 C PHE A 69 3.238 -2.847 -5.664 1.00 0.00 C ATOM 1064 O PHE A 69 2.590 -2.321 -6.553 1.00 0.00 O ATOM 1065 CB PHE A 69 1.983 -4.232 -4.069 1.00 0.00 C ATOM 1066 CG PHE A 69 1.805 -4.607 -2.644 1.00 0.00 C ATOM 1067 CD1 PHE A 69 2.884 -5.059 -1.906 1.00 0.00 C ATOM 1068 CD2 PHE A 69 0.573 -4.529 -2.041 1.00 0.00 C ATOM 1069 CE1 PHE A 69 2.737 -5.420 -0.594 1.00 0.00 C ATOM 1070 CE2 PHE A 69 0.419 -4.890 -0.723 1.00 0.00 C ATOM 1071 CZ PHE A 69 1.500 -5.336 -0.001 1.00 0.00 C ATOM 0 H PHE A 69 0.858 -1.986 -4.054 1.00 0.00 H new ATOM 0 HA PHE A 69 3.531 -2.874 -3.561 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.004 -4.174 -4.544 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.537 -5.022 -4.576 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.856 -5.128 -2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.280 -4.182 -2.606 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.588 -5.769 -0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.552 -4.823 -0.255 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.377 -5.621 1.034 1.00 0.00 H new ATOM 1081 N THR A 70 4.395 -3.355 -5.857 1.00 0.00 N ATOM 1082 CA THR A 70 4.991 -3.343 -7.144 1.00 0.00 C ATOM 1083 C THR A 70 4.682 -4.596 -7.935 1.00 0.00 C ATOM 1084 O THR A 70 4.559 -5.681 -7.378 1.00 0.00 O ATOM 1085 CB THR A 70 6.488 -3.191 -6.991 1.00 0.00 C ATOM 1086 OG1 THR A 70 6.876 -3.798 -5.759 1.00 0.00 O ATOM 1087 CG2 THR A 70 6.910 -1.743 -7.023 1.00 0.00 C ATOM 0 H THR A 70 4.960 -3.792 -5.129 1.00 0.00 H new ATOM 0 HA THR A 70 4.574 -2.503 -7.699 1.00 0.00 H new ATOM 0 HB THR A 70 6.983 -3.682 -7.829 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.297 -3.127 -5.182 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.992 -1.677 -6.910 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.617 -1.299 -7.974 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.427 -1.205 -6.208 1.00 0.00 H new ATOM 1095 N THR A 71 4.531 -4.422 -9.231 1.00 0.00 N ATOM 1096 CA THR A 71 4.400 -5.533 -10.153 1.00 0.00 C ATOM 1097 C THR A 71 5.759 -6.221 -10.353 1.00 0.00 C ATOM 1098 O THR A 71 5.841 -7.337 -10.877 1.00 0.00 O ATOM 1099 CB THR A 71 3.853 -5.031 -11.503 1.00 0.00 C ATOM 1100 OG1 THR A 71 4.465 -3.760 -11.821 1.00 0.00 O ATOM 1101 CG2 THR A 71 2.343 -4.872 -11.456 1.00 0.00 C ATOM 0 H THR A 71 4.495 -3.505 -9.677 1.00 0.00 H new ATOM 0 HA THR A 71 3.702 -6.259 -9.736 1.00 0.00 H new ATOM 0 HB THR A 71 4.094 -5.766 -12.271 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.943 -3.035 -11.417 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.984 -4.517 -12.422 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.883 -5.834 -11.230 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.077 -4.151 -10.683 1.00 0.00 H new ATOM 1109 N ASP A 72 6.816 -5.549 -9.901 1.00 0.00 N ATOM 1110 CA ASP A 72 8.153 -6.051 -9.992 1.00 0.00 C ATOM 1111 C ASP A 72 8.363 -7.045 -8.847 1.00 0.00 C ATOM 1112 O ASP A 72 7.906 -6.791 -7.730 1.00 0.00 O ATOM 1113 CB ASP A 72 9.128 -4.874 -9.880 1.00 0.00 C ATOM 1114 CG ASP A 72 10.568 -5.283 -9.977 1.00 0.00 C ATOM 1115 OD1 ASP A 72 11.170 -5.585 -8.943 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.129 -5.281 -11.090 1.00 0.00 O ATOM 0 H ASP A 72 6.750 -4.632 -9.459 1.00 0.00 H new ATOM 0 HA ASP A 72 8.326 -6.555 -10.943 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.909 -4.154 -10.668 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.965 -4.366 -8.929 1.00 0.00 H new ATOM 1121 N PRO A 73 9.009 -8.200 -9.096 1.00 0.00 N ATOM 1122 CA PRO A 73 9.195 -9.229 -8.070 1.00 0.00 C ATOM 1123 C PRO A 73 10.254 -8.853 -7.037 1.00 0.00 C ATOM 1124 O PRO A 73 10.165 -9.243 -5.861 1.00 0.00 O ATOM 1125 CB PRO A 73 9.643 -10.470 -8.860 1.00 0.00 C ATOM 1126 CG PRO A 73 9.592 -10.098 -10.295 1.00 0.00 C ATOM 1127 CD PRO A 73 9.602 -8.605 -10.377 1.00 0.00 C ATOM 0 HA PRO A 73 8.280 -9.380 -7.497 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.651 -10.770 -8.573 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.988 -11.317 -8.655 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.445 -10.516 -10.829 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.694 -10.501 -10.763 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.613 -8.214 -10.495 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.019 -8.243 -11.224 1.00 0.00 H new ATOM 1135 N ASN A 74 11.212 -8.066 -7.472 1.00 0.00 N ATOM 1136 CA ASN A 74 12.332 -7.653 -6.654 1.00 0.00 C ATOM 1137 C ASN A 74 11.905 -6.568 -5.697 1.00 0.00 C ATOM 1138 O ASN A 74 12.316 -6.550 -4.530 1.00 0.00 O ATOM 1139 CB ASN A 74 13.487 -7.188 -7.562 1.00 0.00 C ATOM 1140 CG ASN A 74 14.656 -6.529 -6.843 1.00 0.00 C ATOM 1141 OD1 ASN A 74 15.589 -7.196 -6.392 1.00 0.00 O ATOM 1142 ND2 ASN A 74 14.647 -5.225 -6.792 1.00 0.00 N ATOM 0 H ASN A 74 11.236 -7.688 -8.419 1.00 0.00 H new ATOM 0 HA ASN A 74 12.684 -8.495 -6.059 1.00 0.00 H new ATOM 0 HB2 ASN A 74 13.861 -8.049 -8.115 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.090 -6.486 -8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.429 -4.726 -6.369 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.858 -4.705 -7.175 1.00 0.00 H new ATOM 1149 N LYS A 75 11.069 -5.672 -6.170 1.00 0.00 N ATOM 1150 CA LYS A 75 10.572 -4.619 -5.346 1.00 0.00 C ATOM 1151 C LYS A 75 9.399 -5.170 -4.571 1.00 0.00 C ATOM 1152 O LYS A 75 8.588 -5.895 -5.128 1.00 0.00 O ATOM 1153 CB LYS A 75 10.112 -3.429 -6.191 1.00 0.00 C ATOM 1154 CG LYS A 75 10.248 -2.079 -5.475 1.00 0.00 C ATOM 1155 CD LYS A 75 11.707 -1.766 -5.132 1.00 0.00 C ATOM 1156 CE LYS A 75 11.856 -0.448 -4.389 1.00 0.00 C ATOM 1157 NZ LYS A 75 11.141 -0.436 -3.083 1.00 0.00 N ATOM 0 H LYS A 75 10.723 -5.661 -7.129 1.00 0.00 H new ATOM 0 HA LYS A 75 11.360 -4.267 -4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.693 -3.402 -7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.070 -3.577 -6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.845 -1.289 -6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.653 -2.090 -4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.115 -2.572 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.294 -1.731 -6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.914 -0.249 -4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.476 0.360 -5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.043 0.544 -2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.197 -0.857 -3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.682 -0.986 -2.386 1.00 0.00 H new ATOM 1171 N ARG A 76 9.316 -4.892 -3.302 1.00 0.00 N ATOM 1172 CA ARG A 76 8.188 -5.393 -2.539 1.00 0.00 C ATOM 1173 C ARG A 76 7.036 -4.412 -2.663 1.00 0.00 C ATOM 1174 O ARG A 76 5.908 -4.771 -3.015 1.00 0.00 O ATOM 1175 CB ARG A 76 8.552 -5.585 -1.074 1.00 0.00 C ATOM 1176 CG ARG A 76 7.564 -6.454 -0.300 1.00 0.00 C ATOM 1177 CD ARG A 76 7.561 -7.870 -0.859 1.00 0.00 C ATOM 1178 NE ARG A 76 6.703 -8.788 -0.109 1.00 0.00 N ATOM 1179 CZ ARG A 76 7.062 -10.038 0.223 1.00 0.00 C ATOM 1180 NH1 ARG A 76 8.242 -10.510 -0.155 1.00 0.00 N ATOM 1181 NH2 ARG A 76 6.247 -10.803 0.943 1.00 0.00 N ATOM 0 H ARG A 76 9.991 -4.337 -2.776 1.00 0.00 H new ATOM 0 HA ARG A 76 7.898 -6.365 -2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.543 -6.035 -1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.615 -4.608 -0.594 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.834 -6.472 0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.563 -6.027 -0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.231 -7.842 -1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.581 -8.255 -0.859 1.00 0.00 H new ATOM 0 HE ARG A 76 5.781 -8.460 0.177 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.876 -9.923 -0.698 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.516 -11.460 0.097 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.343 -10.441 1.246 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.526 -11.752 1.192 1.00 0.00 H new ATOM 1195 N TRP A 77 7.346 -3.186 -2.415 1.00 0.00 N ATOM 1196 CA TRP A 77 6.409 -2.117 -2.485 1.00 0.00 C ATOM 1197 C TRP A 77 7.156 -0.848 -2.728 1.00 0.00 C ATOM 1198 O TRP A 77 8.405 -0.837 -2.680 1.00 0.00 O ATOM 1199 CB TRP A 77 5.494 -2.023 -1.219 1.00 0.00 C ATOM 1200 CG TRP A 77 6.206 -1.932 0.122 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.670 -2.971 0.879 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.482 -0.739 0.880 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.251 -2.500 2.031 1.00 0.00 N ATOM 1204 CE2 TRP A 77 7.144 -1.139 2.061 1.00 0.00 C ATOM 1205 CE3 TRP A 77 6.249 0.624 0.673 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 7.567 -0.233 3.028 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 6.670 1.524 1.634 1.00 0.00 C ATOM 1208 CH2 TRP A 77 7.321 1.092 2.799 1.00 0.00 C ATOM 0 H TRP A 77 8.286 -2.891 -2.150 1.00 0.00 H new ATOM 0 HA TRP A 77 5.726 -2.307 -3.313 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.852 -1.149 -1.325 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.843 -2.897 -1.202 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.591 -4.014 0.610 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.692 -3.075 2.749 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.749 0.967 -0.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.070 -0.563 3.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 6.494 2.579 1.485 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.635 1.822 3.531 1.00 0.00 H new ATOM 1219 N GLU A 78 6.431 0.174 -3.026 1.00 0.00 N ATOM 1220 CA GLU A 78 6.972 1.477 -3.288 1.00 0.00 C ATOM 1221 C GLU A 78 6.026 2.522 -2.806 1.00 0.00 C ATOM 1222 O GLU A 78 4.807 2.312 -2.826 1.00 0.00 O ATOM 1223 CB GLU A 78 7.206 1.678 -4.781 1.00 0.00 C ATOM 1224 CG GLU A 78 8.568 1.282 -5.281 1.00 0.00 C ATOM 1225 CD GLU A 78 9.631 2.232 -4.799 1.00 0.00 C ATOM 1226 OE1 GLU A 78 10.108 2.077 -3.666 1.00 0.00 O ATOM 1227 OE2 GLU A 78 10.001 3.148 -5.551 1.00 0.00 O ATOM 0 H GLU A 78 5.414 0.133 -3.098 1.00 0.00 H new ATOM 0 HA GLU A 78 7.924 1.560 -2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.457 1.107 -5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.042 2.729 -5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.801 0.272 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.565 1.261 -6.371 1.00 0.00 H new ATOM 1234 N TYR A 79 6.569 3.635 -2.359 1.00 0.00 N ATOM 1235 CA TYR A 79 5.770 4.763 -1.986 1.00 0.00 C ATOM 1236 C TYR A 79 5.143 5.370 -3.206 1.00 0.00 C ATOM 1237 O TYR A 79 5.696 5.309 -4.318 1.00 0.00 O ATOM 1238 CB TYR A 79 6.587 5.848 -1.280 1.00 0.00 C ATOM 1239 CG TYR A 79 6.789 5.680 0.205 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.865 6.205 1.096 1.00 0.00 C ATOM 1241 CD2 TYR A 79 7.906 5.042 0.721 1.00 0.00 C ATOM 1242 CE1 TYR A 79 6.042 6.095 2.454 1.00 0.00 C ATOM 1243 CE2 TYR A 79 8.097 4.933 2.085 1.00 0.00 C ATOM 1244 CZ TYR A 79 7.159 5.461 2.945 1.00 0.00 C ATOM 1245 OH TYR A 79 7.346 5.377 4.306 1.00 0.00 O ATOM 0 H TYR A 79 7.573 3.774 -2.248 1.00 0.00 H new ATOM 0 HA TYR A 79 5.011 4.396 -1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.567 5.899 -1.754 1.00 0.00 H new ATOM 0 HB3 TYR A 79 6.100 6.808 -1.451 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.990 6.710 0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.638 4.624 0.046 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.308 6.504 3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.974 4.438 2.474 1.00 0.00 H new ATOM 0 HH TYR A 79 6.515 5.081 4.733 1.00 0.00 H new ATOM 1255 N CYS A 80 4.016 5.930 -3.014 1.00 0.00 N ATOM 1256 CA CYS A 80 3.350 6.645 -4.040 1.00 0.00 C ATOM 1257 C CYS A 80 3.438 8.111 -3.686 1.00 0.00 C ATOM 1258 O CYS A 80 3.067 8.511 -2.573 1.00 0.00 O ATOM 1259 CB CYS A 80 1.904 6.140 -4.139 1.00 0.00 C ATOM 1260 SG CYS A 80 1.780 4.453 -4.821 1.00 0.00 S ATOM 0 H CYS A 80 3.516 5.908 -2.126 1.00 0.00 H new ATOM 0 HA CYS A 80 3.804 6.495 -5.020 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.450 6.159 -3.148 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.329 6.822 -4.766 1.00 0.00 H new ATOM 1265 N ASP A 81 3.945 8.917 -4.592 1.00 0.00 N ATOM 1266 CA ASP A 81 4.134 10.314 -4.285 1.00 0.00 C ATOM 1267 C ASP A 81 3.009 11.094 -4.861 1.00 0.00 C ATOM 1268 O ASP A 81 3.030 11.532 -6.011 1.00 0.00 O ATOM 1269 CB ASP A 81 5.492 10.843 -4.752 1.00 0.00 C ATOM 1270 CG ASP A 81 5.758 12.261 -4.270 1.00 0.00 C ATOM 1271 OD1 ASP A 81 5.882 12.468 -3.041 1.00 0.00 O ATOM 1272 OD2 ASP A 81 5.873 13.177 -5.100 1.00 0.00 O ATOM 0 H ASP A 81 4.229 8.635 -5.530 1.00 0.00 H new ATOM 0 HA ASP A 81 4.135 10.431 -3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.280 10.184 -4.388 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.534 10.818 -5.841 1.00 0.00 H new ATOM 1277 N ILE A 82 1.999 11.181 -4.087 1.00 0.00 N ATOM 1278 CA ILE A 82 0.795 11.824 -4.465 1.00 0.00 C ATOM 1279 C ILE A 82 0.787 13.189 -3.827 1.00 0.00 C ATOM 1280 O ILE A 82 1.291 13.329 -2.702 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.420 11.009 -3.922 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -0.269 9.529 -4.303 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.743 11.564 -4.462 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.318 8.622 -3.702 1.00 0.00 C ATOM 0 H ILE A 82 1.982 10.796 -3.142 1.00 0.00 H new ATOM 0 HA ILE A 82 0.726 11.898 -5.550 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.436 11.100 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.307 9.440 -5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.716 9.184 -3.989 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.572 10.977 -4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.855 12.603 -4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.744 11.507 -5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.138 7.596 -4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.267 8.678 -2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.306 8.938 -4.036 1.00 0.00 H new ATOM 1494 N ALA B 108 -5.570 -5.830 12.969 1.00 0.00 N ATOM 1495 CA ALA B 108 -4.372 -6.317 13.657 1.00 0.00 C ATOM 1496 C ALA B 108 -3.438 -7.030 12.679 1.00 0.00 C ATOM 1497 O ALA B 108 -2.215 -6.905 12.756 1.00 0.00 O ATOM 1498 CB ALA B 108 -4.757 -7.260 14.767 1.00 0.00 C ATOM 0 HA ALA B 108 -3.849 -5.458 14.078 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -3.858 -7.615 15.271 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -5.392 -6.739 15.483 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -5.299 -8.109 14.351 1.00 0.00 H new ATOM 1504 N GLU B 109 -4.030 -7.777 11.772 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.296 -8.494 10.749 1.00 0.00 C ATOM 1506 C GLU B 109 -2.562 -7.504 9.856 1.00 0.00 C ATOM 1507 O GLU B 109 -1.363 -7.613 9.649 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.275 -9.341 9.924 1.00 0.00 C ATOM 1509 CG GLU B 109 -3.659 -10.120 8.772 1.00 0.00 C ATOM 1510 CD GLU B 109 -2.691 -11.179 9.225 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -1.565 -10.847 9.592 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -3.043 -12.380 9.175 1.00 0.00 O ATOM 0 H GLU B 109 -5.041 -7.905 11.723 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.562 -9.152 11.213 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -4.770 -10.046 10.592 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -5.047 -8.685 9.523 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -4.454 -10.588 8.192 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -3.144 -9.427 8.107 1.00 0.00 H new ATOM 1519 N LEU B 110 -3.280 -6.491 9.399 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.734 -5.499 8.493 1.00 0.00 C ATOM 1521 C LEU B 110 -1.636 -4.691 9.161 1.00 0.00 C ATOM 1522 O LEU B 110 -0.715 -4.205 8.502 1.00 0.00 O ATOM 1523 CB LEU B 110 -3.874 -4.647 7.922 1.00 0.00 C ATOM 1524 CG LEU B 110 -4.564 -3.576 8.774 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -3.768 -2.318 8.812 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -5.938 -3.290 8.229 1.00 0.00 C ATOM 0 H LEU B 110 -4.257 -6.335 9.647 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.251 -5.991 7.649 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -3.485 -4.147 7.035 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -4.649 -5.336 7.586 1.00 0.00 H new ATOM 0 HG LEU B 110 -4.646 -3.959 9.791 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -4.285 -1.579 9.424 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -2.786 -2.521 9.240 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -3.650 -1.932 7.800 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -6.421 -2.528 8.841 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -5.855 -2.933 7.203 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -6.534 -4.202 8.249 1.00 0.00 H new ATOM 1538 N GLN B 111 -1.754 -4.569 10.460 1.00 0.00 N ATOM 1539 CA GLN B 111 -0.752 -3.928 11.303 1.00 0.00 C ATOM 1540 C GLN B 111 0.559 -4.714 11.232 1.00 0.00 C ATOM 1541 O GLN B 111 1.633 -4.162 10.979 1.00 0.00 O ATOM 1542 CB GLN B 111 -1.252 -3.894 12.728 1.00 0.00 C ATOM 1543 CG GLN B 111 -0.413 -3.080 13.675 1.00 0.00 C ATOM 1544 CD GLN B 111 -0.160 -1.655 13.205 1.00 0.00 C ATOM 1545 OE1 GLN B 111 0.846 -1.371 12.564 1.00 0.00 O ATOM 1546 NE2 GLN B 111 -1.075 -0.774 13.482 1.00 0.00 N ATOM 0 H GLN B 111 -2.561 -4.916 10.979 1.00 0.00 H new ATOM 0 HA GLN B 111 -0.575 -2.910 10.955 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -2.267 -3.497 12.732 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -1.308 -4.916 13.102 1.00 0.00 H new ATOM 0 HG2 GLN B 111 -0.905 -3.050 14.647 1.00 0.00 H new ATOM 0 HG3 GLN B 111 0.545 -3.580 13.818 1.00 0.00 H new ATOM 0 HE21 GLN B 111 -1.899 -1.046 14.018 1.00 0.00 H new ATOM 0 HE22 GLN B 111 -0.969 0.189 13.164 1.00 0.00 H new ATOM 1555 N ARG B 112 0.449 -6.008 11.409 1.00 0.00 N ATOM 1556 CA ARG B 112 1.582 -6.900 11.333 1.00 0.00 C ATOM 1557 C ARG B 112 2.101 -7.008 9.923 1.00 0.00 C ATOM 1558 O ARG B 112 3.285 -7.091 9.719 1.00 0.00 O ATOM 1559 CB ARG B 112 1.221 -8.250 11.889 1.00 0.00 C ATOM 1560 CG ARG B 112 1.085 -8.261 13.382 1.00 0.00 C ATOM 1561 CD ARG B 112 2.409 -7.994 14.038 1.00 0.00 C ATOM 1562 NE ARG B 112 2.314 -7.904 15.495 1.00 0.00 N ATOM 1563 CZ ARG B 112 3.339 -8.124 16.343 1.00 0.00 C ATOM 1564 NH1 ARG B 112 4.544 -8.476 15.878 1.00 0.00 N ATOM 1565 NH2 ARG B 112 3.153 -7.986 17.644 1.00 0.00 N ATOM 0 H ARG B 112 -0.435 -6.476 11.611 1.00 0.00 H new ATOM 0 HA ARG B 112 2.386 -6.484 11.940 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.282 -8.579 11.443 1.00 0.00 H new ATOM 0 HB3 ARG B 112 1.983 -8.972 11.596 1.00 0.00 H new ATOM 0 HG2 ARG B 112 0.362 -7.507 13.692 1.00 0.00 H new ATOM 0 HG3 ARG B 112 0.699 -9.226 13.710 1.00 0.00 H new ATOM 0 HD2 ARG B 112 3.107 -8.788 13.773 1.00 0.00 H new ATOM 0 HD3 ARG B 112 2.821 -7.064 13.648 1.00 0.00 H new ATOM 0 HE ARG B 112 1.410 -7.658 15.897 1.00 0.00 H new ATOM 0 HH11 ARG B 112 4.693 -8.580 14.874 1.00 0.00 H new ATOM 0 HH12 ARG B 112 5.313 -8.640 16.527 1.00 0.00 H new ATOM 0 HH21 ARG B 112 2.237 -7.714 18.002 1.00 0.00 H new ATOM 0 HH22 ARG B 112 3.925 -8.151 18.290 1.00 0.00 H new ATOM 1579 N LEU B 113 1.210 -6.978 8.958 1.00 0.00 N ATOM 1580 CA LEU B 113 1.594 -6.973 7.550 1.00 0.00 C ATOM 1581 C LEU B 113 2.329 -5.671 7.199 1.00 0.00 C ATOM 1582 O LEU B 113 3.206 -5.649 6.326 1.00 0.00 O ATOM 1583 CB LEU B 113 0.378 -7.151 6.647 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.394 -8.462 6.788 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.611 -8.448 5.893 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.491 -9.654 6.456 1.00 0.00 C ATOM 0 H LEU B 113 0.203 -6.956 9.117 1.00 0.00 H new ATOM 0 HA LEU B 113 2.267 -7.814 7.383 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.311 -6.328 6.837 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.706 -7.059 5.612 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.717 -8.558 7.825 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.153 -9.387 6.002 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.260 -7.619 6.175 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.298 -8.328 4.856 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.083 -10.574 6.564 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.848 -9.567 5.430 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.343 -9.675 7.136 1.00 0.00 H new ATOM 1598 N LYS B 114 1.963 -4.583 7.882 1.00 0.00 N ATOM 1599 CA LYS B 114 2.641 -3.322 7.714 1.00 0.00 C ATOM 1600 C LYS B 114 4.036 -3.495 8.193 1.00 0.00 C ATOM 1601 O LYS B 114 4.988 -3.254 7.458 1.00 0.00 O ATOM 1602 CB LYS B 114 1.965 -2.204 8.517 1.00 0.00 C ATOM 1603 CG LYS B 114 2.573 -0.828 8.252 1.00 0.00 C ATOM 1604 CD LYS B 114 1.862 0.306 8.978 1.00 0.00 C ATOM 1605 CE LYS B 114 2.235 0.409 10.430 1.00 0.00 C ATOM 1606 NZ LYS B 114 1.491 1.499 11.097 1.00 0.00 N ATOM 0 H LYS B 114 1.197 -4.564 8.555 1.00 0.00 H new ATOM 0 HA LYS B 114 2.610 -3.036 6.663 1.00 0.00 H new ATOM 0 HB2 LYS B 114 0.903 -2.179 8.272 1.00 0.00 H new ATOM 0 HB3 LYS B 114 2.042 -2.430 9.580 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.621 -0.840 8.553 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.551 -0.631 7.180 1.00 0.00 H new ATOM 0 HD2 LYS B 114 2.096 1.248 8.482 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.785 0.161 8.896 1.00 0.00 H new ATOM 0 HE2 LYS B 114 2.026 -0.537 10.930 1.00 0.00 H new ATOM 0 HE3 LYS B 114 3.306 0.588 10.521 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 2.073 1.900 11.860 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 1.268 2.242 10.404 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 0.608 1.122 11.497 1.00 0.00 H new ATOM 1620 N ASN B 115 4.128 -3.963 9.409 1.00 0.00 N ATOM 1621 CA ASN B 115 5.374 -4.269 10.086 1.00 0.00 C ATOM 1622 C ASN B 115 6.224 -5.213 9.256 1.00 0.00 C ATOM 1623 O ASN B 115 7.386 -4.957 9.062 1.00 0.00 O ATOM 1624 CB ASN B 115 5.051 -4.841 11.479 1.00 0.00 C ATOM 1625 CG ASN B 115 4.691 -3.759 12.491 1.00 0.00 C ATOM 1626 OD1 ASN B 115 5.242 -2.656 12.464 1.00 0.00 O ATOM 1627 ND2 ASN B 115 3.742 -4.033 13.349 1.00 0.00 N ATOM 0 H ASN B 115 3.307 -4.152 9.984 1.00 0.00 H new ATOM 0 HA ASN B 115 5.964 -3.361 10.213 1.00 0.00 H new ATOM 0 HB2 ASN B 115 4.222 -5.544 11.395 1.00 0.00 H new ATOM 0 HB3 ASN B 115 5.910 -5.403 11.845 1.00 0.00 H new ATOM 0 HD21 ASN B 115 3.440 -3.325 14.019 1.00 0.00 H new ATOM 0 HD22 ASN B 115 3.304 -4.954 13.348 1.00 0.00 H new ATOM 1634 N GLU B 116 5.601 -6.239 8.706 1.00 0.00 N ATOM 1635 CA GLU B 116 6.236 -7.226 7.828 1.00 0.00 C ATOM 1636 C GLU B 116 6.910 -6.543 6.662 1.00 0.00 C ATOM 1637 O GLU B 116 8.100 -6.668 6.460 1.00 0.00 O ATOM 1638 CB GLU B 116 5.166 -8.182 7.298 1.00 0.00 C ATOM 1639 CG GLU B 116 5.638 -9.094 6.193 1.00 0.00 C ATOM 1640 CD GLU B 116 4.539 -9.949 5.635 1.00 0.00 C ATOM 1641 OE1 GLU B 116 4.291 -11.042 6.174 1.00 0.00 O ATOM 1642 OE2 GLU B 116 3.912 -9.546 4.625 1.00 0.00 O ATOM 0 H GLU B 116 4.609 -6.421 8.858 1.00 0.00 H new ATOM 0 HA GLU B 116 6.987 -7.774 8.397 1.00 0.00 H new ATOM 0 HB2 GLU B 116 4.799 -8.791 8.124 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.321 -7.597 6.934 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.067 -8.493 5.391 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.434 -9.735 6.572 1.00 0.00 H new ATOM 1649 N ARG B 117 6.132 -5.819 5.909 1.00 0.00 N ATOM 1650 CA ARG B 117 6.637 -5.090 4.757 1.00 0.00 C ATOM 1651 C ARG B 117 7.673 -4.062 5.148 1.00 0.00 C ATOM 1652 O ARG B 117 8.548 -3.740 4.365 1.00 0.00 O ATOM 1653 CB ARG B 117 5.544 -4.384 4.048 1.00 0.00 C ATOM 1654 CG ARG B 117 4.529 -5.255 3.385 1.00 0.00 C ATOM 1655 CD ARG B 117 3.506 -4.376 2.734 1.00 0.00 C ATOM 1656 NE ARG B 117 2.807 -3.554 3.723 1.00 0.00 N ATOM 1657 CZ ARG B 117 2.970 -2.262 3.937 1.00 0.00 C ATOM 1658 NH1 ARG B 117 3.848 -1.537 3.232 1.00 0.00 N ATOM 1659 NH2 ARG B 117 2.236 -1.703 4.846 1.00 0.00 N ATOM 0 H ARG B 117 5.130 -5.711 6.067 1.00 0.00 H new ATOM 0 HA ARG B 117 7.092 -5.836 4.105 1.00 0.00 H new ATOM 0 HB2 ARG B 117 5.031 -3.739 4.762 1.00 0.00 H new ATOM 0 HB3 ARG B 117 5.987 -3.735 3.293 1.00 0.00 H new ATOM 0 HG2 ARG B 117 5.006 -5.896 2.643 1.00 0.00 H new ATOM 0 HG3 ARG B 117 4.056 -5.911 4.116 1.00 0.00 H new ATOM 0 HD2 ARG B 117 3.990 -3.732 2.000 1.00 0.00 H new ATOM 0 HD3 ARG B 117 2.786 -4.990 2.194 1.00 0.00 H new ATOM 0 HE ARG B 117 2.121 -4.030 4.309 1.00 0.00 H new ATOM 0 HH11 ARG B 117 4.412 -1.982 2.508 1.00 0.00 H new ATOM 0 HH12 ARG B 117 3.953 -0.540 3.419 1.00 0.00 H new ATOM 0 HH21 ARG B 117 1.560 -2.260 5.369 1.00 0.00 H new ATOM 0 HH22 ARG B 117 2.334 -0.706 5.039 1.00 0.00 H new ATOM 1673 N HIS B 118 7.528 -3.515 6.327 1.00 0.00 N ATOM 1674 CA HIS B 118 8.475 -2.561 6.859 1.00 0.00 C ATOM 1675 C HIS B 118 9.784 -3.246 7.172 1.00 0.00 C ATOM 1676 O HIS B 118 10.852 -2.689 6.921 1.00 0.00 O ATOM 1677 CB HIS B 118 7.877 -1.808 8.058 1.00 0.00 C ATOM 1678 CG HIS B 118 6.995 -0.659 7.642 1.00 0.00 C ATOM 1679 ND1 HIS B 118 5.868 -0.825 6.868 1.00 0.00 N ATOM 1680 CD2 HIS B 118 7.110 0.672 7.819 1.00 0.00 C ATOM 1681 CE1 HIS B 118 5.356 0.342 6.585 1.00 0.00 C ATOM 1682 NE2 HIS B 118 6.084 1.245 7.144 1.00 0.00 N ATOM 0 H HIS B 118 6.747 -3.718 6.951 1.00 0.00 H new ATOM 0 HA HIS B 118 8.691 -1.803 6.106 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.298 -2.503 8.666 1.00 0.00 H new ATOM 0 HB3 HIS B 118 8.685 -1.432 8.685 1.00 0.00 H new ATOM 0 HD1 HIS B 118 5.491 -1.722 6.563 1.00 0.00 H new ATOM 0 HD2 HIS B 118 7.872 1.183 8.388 1.00 0.00 H new ATOM 0 HE1 HIS B 118 4.475 0.519 5.986 1.00 0.00 H new ATOM 0 HE2 HIS B 118 5.913 2.249 7.087 1.00 0.00 H new ATOM 1691 N GLU B 119 9.688 -4.468 7.671 1.00 0.00 N ATOM 1692 CA GLU B 119 10.844 -5.316 7.881 1.00 0.00 C ATOM 1693 C GLU B 119 11.491 -5.594 6.540 1.00 0.00 C ATOM 1694 O GLU B 119 12.638 -5.279 6.337 1.00 0.00 O ATOM 1695 CB GLU B 119 10.443 -6.654 8.523 1.00 0.00 C ATOM 1696 CG GLU B 119 9.823 -6.567 9.901 1.00 0.00 C ATOM 1697 CD GLU B 119 10.737 -5.971 10.918 1.00 0.00 C ATOM 1698 OE1 GLU B 119 11.663 -6.671 11.377 1.00 0.00 O ATOM 1699 OE2 GLU B 119 10.541 -4.791 11.305 1.00 0.00 O ATOM 0 H GLU B 119 8.803 -4.898 7.941 1.00 0.00 H new ATOM 0 HA GLU B 119 11.534 -4.804 8.551 1.00 0.00 H new ATOM 0 HB2 GLU B 119 9.739 -7.156 7.860 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.329 -7.286 8.584 1.00 0.00 H new ATOM 0 HG2 GLU B 119 8.912 -5.971 9.846 1.00 0.00 H new ATOM 0 HG3 GLU B 119 9.531 -7.566 10.225 1.00 0.00 H new ATOM 1706 N GLU B 120 10.704 -6.142 5.617 1.00 0.00 N ATOM 1707 CA GLU B 120 11.160 -6.496 4.255 1.00 0.00 C ATOM 1708 C GLU B 120 11.851 -5.316 3.566 1.00 0.00 C ATOM 1709 O GLU B 120 12.840 -5.487 2.866 1.00 0.00 O ATOM 1710 CB GLU B 120 9.976 -6.947 3.393 1.00 0.00 C ATOM 1711 CG GLU B 120 9.236 -8.186 3.897 1.00 0.00 C ATOM 1712 CD GLU B 120 10.105 -9.419 3.978 1.00 0.00 C ATOM 1713 OE1 GLU B 120 10.293 -10.098 2.944 1.00 0.00 O ATOM 1714 OE2 GLU B 120 10.605 -9.751 5.076 1.00 0.00 O ATOM 0 H GLU B 120 9.722 -6.359 5.785 1.00 0.00 H new ATOM 0 HA GLU B 120 11.877 -7.311 4.359 1.00 0.00 H new ATOM 0 HB2 GLU B 120 9.265 -6.124 3.321 1.00 0.00 H new ATOM 0 HB3 GLU B 120 10.337 -7.145 2.384 1.00 0.00 H new ATOM 0 HG2 GLU B 120 8.824 -7.976 4.884 1.00 0.00 H new ATOM 0 HG3 GLU B 120 8.393 -8.389 3.237 1.00 0.00 H new ATOM 1721 N ALA B 121 11.308 -4.136 3.762 1.00 0.00 N ATOM 1722 CA ALA B 121 11.877 -2.914 3.213 1.00 0.00 C ATOM 1723 C ALA B 121 13.236 -2.611 3.834 1.00 0.00 C ATOM 1724 O ALA B 121 14.206 -2.347 3.135 1.00 0.00 O ATOM 1725 CB ALA B 121 10.929 -1.745 3.406 1.00 0.00 C ATOM 0 H ALA B 121 10.458 -3.990 4.307 1.00 0.00 H new ATOM 0 HA ALA B 121 12.023 -3.066 2.144 1.00 0.00 H new ATOM 0 HB1 ALA B 121 11.375 -0.842 2.988 1.00 0.00 H new ATOM 0 HB2 ALA B 121 9.987 -1.953 2.899 1.00 0.00 H new ATOM 0 HB3 ALA B 121 10.743 -1.599 4.470 1.00 0.00 H new