USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 SER OG : rot 180:sc= 0.394 USER MOD Set 1.2: A 97 THR OG1 : rot -81:sc= 0.428 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.131 K(o=0.83,f=-0.97) USER MOD Set 2.2: A 45 LYS NZ :NH3+ 170:sc= 0.703 (180deg=0.492) USER MOD Set 3.1: A 27 TYR OH : rot 120:sc= -0.0935 USER MOD Set 3.2: A 51 GLN : amide:sc= -1.21 K(o=-1.3,f=1.7) USER MOD Set 4.1: A 16 ASN : amide:sc= 0.346 K(o=0.62,f=1.6) USER MOD Set 4.2: A 18 ASN : amide:sc= 0.698 K(o=0.62,f=1.6) USER MOD Set 4.3: A 53 CYS SG : rot -109:sc= -2.11! USER MOD Set 4.4: A 56 SER OG : rot -64:sc= 0.546 USER MOD Set 4.5: A 58 THR OG1 : rot 76:sc= 0.688 USER MOD Set 4.6: A 79 TYR OH : rot -178:sc= 0.445 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 29 TYR OH : rot -93:sc= 0.597 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0957 K(o=-0.096,f=-1.6) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.192) USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0239) USER MOD Single : A 54 LYS NZ :NH3+ -107:sc= -0.591 (180deg=-2.64!) USER MOD Single : A 61 THR OG1 : rot 67:sc= -0.0435 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.538 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 154:sc= 0.0144 (180deg=-0.789) USER MOD Single : A 77 LYS NZ :NH3+ -163:sc= -0.0371 (180deg=-0.268) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N ASP A 11 -14.552 -1.289 -1.704 1.00 64.24 N ATOM 171 CA ASP A 11 -13.751 -0.178 -2.252 1.00 24.43 C ATOM 172 C ASP A 11 -12.516 0.087 -1.371 1.00 64.41 C ATOM 173 O ASP A 11 -12.630 0.495 -0.210 1.00 71.22 O ATOM 174 CB ASP A 11 -14.610 1.109 -2.376 1.00 43.24 C ATOM 175 CG ASP A 11 -15.799 0.952 -3.344 1.00 35.24 C ATOM 176 OD1 ASP A 11 -15.568 0.703 -4.549 1.00 73.22 O ATOM 177 OD2 ASP A 11 -16.967 1.086 -2.908 1.00 24.22 O ATOM 0 HA ASP A 11 -13.412 -0.464 -3.248 1.00 24.43 H new ATOM 0 HB2 ASP A 11 -14.986 1.384 -1.390 1.00 43.24 H new ATOM 0 HB3 ASP A 11 -13.978 1.929 -2.717 1.00 43.24 H new ATOM 182 N ILE A 12 -11.353 -0.117 -1.975 1.00 25.21 N ATOM 183 CA ILE A 12 -10.041 0.014 -1.339 1.00 43.02 C ATOM 184 C ILE A 12 -9.471 1.423 -1.614 1.00 1.44 C ATOM 185 O ILE A 12 -9.101 1.725 -2.752 1.00 0.41 O ATOM 186 CB ILE A 12 -9.060 -1.067 -1.932 1.00 64.23 C ATOM 187 CG1 ILE A 12 -9.679 -2.502 -1.890 1.00 1.30 C ATOM 188 CG2 ILE A 12 -7.695 -1.028 -1.221 1.00 11.54 C ATOM 189 CD1 ILE A 12 -8.911 -3.539 -2.699 1.00 62.03 C ATOM 0 H ILE A 12 -11.291 -0.388 -2.956 1.00 25.21 H new ATOM 0 HA ILE A 12 -10.145 -0.135 -0.264 1.00 43.02 H new ATOM 0 HB ILE A 12 -8.900 -0.817 -2.981 1.00 64.23 H new ATOM 0 HG12 ILE A 12 -9.730 -2.833 -0.853 1.00 1.30 H new ATOM 0 HG13 ILE A 12 -10.703 -2.454 -2.261 1.00 1.30 H new ATOM 0 HG21 ILE A 12 -7.039 -1.785 -1.651 1.00 11.54 H new ATOM 0 HG22 ILE A 12 -7.246 -0.043 -1.349 1.00 11.54 H new ATOM 0 HG23 ILE A 12 -7.832 -1.229 -0.158 1.00 11.54 H new ATOM 0 HD11 ILE A 12 -9.407 -4.506 -2.616 1.00 62.03 H new ATOM 0 HD12 ILE A 12 -8.881 -3.235 -3.745 1.00 62.03 H new ATOM 0 HD13 ILE A 12 -7.894 -3.619 -2.316 1.00 62.03 H new ATOM 201 N GLN A 13 -9.435 2.289 -0.588 1.00 20.25 N ATOM 202 CA GLN A 13 -8.779 3.602 -0.690 1.00 42.24 C ATOM 203 C GLN A 13 -7.273 3.449 -0.384 1.00 14.11 C ATOM 204 O GLN A 13 -6.885 3.017 0.714 1.00 41.21 O ATOM 205 CB GLN A 13 -9.421 4.626 0.276 1.00 22.51 C ATOM 206 CG GLN A 13 -8.792 6.039 0.206 1.00 24.24 C ATOM 207 CD GLN A 13 -9.276 6.995 1.299 1.00 53.14 C ATOM 208 OE1 GLN A 13 -9.619 6.574 2.406 1.00 72.02 O ATOM 209 NE2 GLN A 13 -9.307 8.285 0.997 1.00 61.42 N ATOM 0 H GLN A 13 -9.854 2.102 0.323 1.00 20.25 H new ATOM 0 HA GLN A 13 -8.909 3.977 -1.705 1.00 42.24 H new ATOM 0 HB2 GLN A 13 -10.485 4.702 0.053 1.00 22.51 H new ATOM 0 HB3 GLN A 13 -9.335 4.251 1.296 1.00 22.51 H new ATOM 0 HG2 GLN A 13 -7.708 5.946 0.274 1.00 24.24 H new ATOM 0 HG3 GLN A 13 -9.014 6.476 -0.768 1.00 24.24 H new ATOM 0 HE21 GLN A 13 -9.016 8.599 0.071 1.00 61.42 H new ATOM 0 HE22 GLN A 13 -9.622 8.964 1.690 1.00 61.42 H new ATOM 218 N VAL A 14 -6.453 3.774 -1.386 1.00 25.32 N ATOM 219 CA VAL A 14 -4.984 3.743 -1.316 1.00 65.12 C ATOM 220 C VAL A 14 -4.461 5.187 -1.194 1.00 33.22 C ATOM 221 O VAL A 14 -4.659 5.987 -2.108 1.00 32.21 O ATOM 222 CB VAL A 14 -4.380 3.072 -2.613 1.00 21.02 C ATOM 223 CG1 VAL A 14 -2.861 2.822 -2.461 1.00 51.14 C ATOM 224 CG2 VAL A 14 -5.145 1.776 -2.974 1.00 70.42 C ATOM 0 H VAL A 14 -6.800 4.075 -2.297 1.00 25.32 H new ATOM 0 HA VAL A 14 -4.680 3.157 -0.449 1.00 65.12 H new ATOM 0 HB VAL A 14 -4.508 3.767 -3.443 1.00 21.02 H new ATOM 0 HG11 VAL A 14 -2.476 2.360 -3.370 1.00 51.14 H new ATOM 0 HG12 VAL A 14 -2.351 3.771 -2.292 1.00 51.14 H new ATOM 0 HG13 VAL A 14 -2.684 2.159 -1.614 1.00 51.14 H new ATOM 0 HG21 VAL A 14 -4.709 1.334 -3.870 1.00 70.42 H new ATOM 0 HG22 VAL A 14 -5.072 1.068 -2.148 1.00 70.42 H new ATOM 0 HG23 VAL A 14 -6.193 2.012 -3.158 1.00 70.42 H new ATOM 234 N GLN A 15 -3.836 5.532 -0.058 1.00 64.42 N ATOM 235 CA GLN A 15 -3.281 6.875 0.174 1.00 20.44 C ATOM 236 C GLN A 15 -1.857 6.772 0.746 1.00 34.12 C ATOM 237 O GLN A 15 -1.622 6.021 1.691 1.00 44.30 O ATOM 238 CB GLN A 15 -4.198 7.671 1.140 1.00 35.11 C ATOM 239 CG GLN A 15 -3.845 9.171 1.260 1.00 73.11 C ATOM 240 CD GLN A 15 -4.761 9.948 2.216 1.00 63.51 C ATOM 241 OE1 GLN A 15 -5.247 9.410 3.213 1.00 44.20 O ATOM 242 NE2 GLN A 15 -5.029 11.210 1.909 1.00 72.45 N ATOM 0 H GLN A 15 -3.701 4.891 0.724 1.00 64.42 H new ATOM 0 HA GLN A 15 -3.233 7.405 -0.777 1.00 20.44 H new ATOM 0 HB2 GLN A 15 -5.230 7.578 0.802 1.00 35.11 H new ATOM 0 HB3 GLN A 15 -4.145 7.217 2.129 1.00 35.11 H new ATOM 0 HG2 GLN A 15 -2.814 9.266 1.602 1.00 73.11 H new ATOM 0 HG3 GLN A 15 -3.896 9.627 0.271 1.00 73.11 H new ATOM 0 HE21 GLN A 15 -4.614 11.632 1.078 1.00 72.45 H new ATOM 0 HE22 GLN A 15 -5.650 11.759 2.504 1.00 72.45 H new ATOM 251 N ASN A 16 -0.919 7.524 0.157 1.00 62.22 N ATOM 252 CA ASN A 16 0.471 7.632 0.638 1.00 52.54 C ATOM 253 C ASN A 16 0.790 9.105 0.960 1.00 42.41 C ATOM 254 O ASN A 16 0.317 10.022 0.272 1.00 3.04 O ATOM 255 CB ASN A 16 1.456 7.027 -0.408 1.00 55.43 C ATOM 256 CG ASN A 16 2.939 7.352 -0.144 1.00 31.23 C ATOM 257 OD1 ASN A 16 3.491 8.290 -0.717 1.00 34.24 O ATOM 258 ND2 ASN A 16 3.592 6.606 0.736 1.00 30.10 N ATOM 0 H ASN A 16 -1.102 8.082 -0.677 1.00 62.22 H new ATOM 0 HA ASN A 16 0.592 7.056 1.556 1.00 52.54 H new ATOM 0 HB2 ASN A 16 1.331 5.944 -0.424 1.00 55.43 H new ATOM 0 HB3 ASN A 16 1.186 7.394 -1.398 1.00 55.43 H new ATOM 0 HD21 ASN A 16 4.569 6.806 0.948 1.00 30.10 H new ATOM 0 HD22 ASN A 16 3.117 5.832 1.201 1.00 30.10 H new ATOM 265 N ASN A 17 1.589 9.309 2.018 1.00 41.03 N ATOM 266 CA ASN A 17 1.973 10.634 2.525 1.00 2.31 C ATOM 267 C ASN A 17 3.497 10.671 2.708 1.00 30.10 C ATOM 268 O ASN A 17 4.101 9.691 3.158 1.00 52.33 O ATOM 269 CB ASN A 17 1.237 10.921 3.867 1.00 3.22 C ATOM 270 CG ASN A 17 1.571 12.296 4.471 1.00 40.42 C ATOM 271 OD1 ASN A 17 2.469 12.425 5.302 1.00 72.30 O ATOM 272 ND2 ASN A 17 0.853 13.330 4.057 1.00 43.10 N ATOM 0 H ASN A 17 1.994 8.542 2.555 1.00 41.03 H new ATOM 0 HA ASN A 17 1.684 11.408 1.814 1.00 2.31 H new ATOM 0 HB2 ASN A 17 0.161 10.857 3.703 1.00 3.22 H new ATOM 0 HB3 ASN A 17 1.496 10.145 4.587 1.00 3.22 H new ATOM 0 HD21 ASN A 17 1.039 14.262 4.428 1.00 43.10 H new ATOM 0 HD22 ASN A 17 0.114 13.194 3.367 1.00 43.10 H new ATOM 279 N ASN A 18 4.103 11.806 2.347 1.00 54.31 N ATOM 280 CA ASN A 18 5.552 12.044 2.454 1.00 22.31 C ATOM 281 C ASN A 18 5.767 13.339 3.239 1.00 3.34 C ATOM 282 O ASN A 18 5.255 14.397 2.842 1.00 23.12 O ATOM 283 CB ASN A 18 6.201 12.146 1.043 1.00 22.11 C ATOM 284 CG ASN A 18 6.185 10.820 0.278 1.00 52.41 C ATOM 285 OD1 ASN A 18 7.132 10.031 0.335 1.00 23.21 O ATOM 286 ND2 ASN A 18 5.103 10.558 -0.426 1.00 2.21 N ATOM 0 H ASN A 18 3.593 12.603 1.964 1.00 54.31 H new ATOM 0 HA ASN A 18 6.026 11.210 2.972 1.00 22.31 H new ATOM 0 HB2 ASN A 18 5.673 12.901 0.461 1.00 22.11 H new ATOM 0 HB3 ASN A 18 7.231 12.486 1.147 1.00 22.11 H new ATOM 0 HD21 ASN A 18 5.031 9.682 -0.944 1.00 2.21 H new ATOM 0 HD22 ASN A 18 4.337 11.231 -0.453 1.00 2.21 H new ATOM 293 N THR A 19 6.527 13.256 4.342 1.00 21.21 N ATOM 294 CA THR A 19 6.765 14.401 5.238 1.00 52.03 C ATOM 295 C THR A 19 8.058 15.129 4.805 1.00 45.12 C ATOM 296 O THR A 19 9.150 14.564 4.838 1.00 51.13 O ATOM 297 CB THR A 19 6.819 13.954 6.755 1.00 3.11 C ATOM 298 OG1 THR A 19 7.112 15.079 7.603 1.00 10.41 O ATOM 299 CG2 THR A 19 7.841 12.832 7.028 1.00 21.31 C ATOM 0 H THR A 19 6.992 12.398 4.638 1.00 21.21 H new ATOM 0 HA THR A 19 5.929 15.095 5.155 1.00 52.03 H new ATOM 0 HB THR A 19 5.831 13.554 6.983 1.00 3.11 H new ATOM 0 HG1 THR A 19 7.140 14.786 8.538 1.00 10.41 H new ATOM 0 HG21 THR A 19 7.825 12.575 8.087 1.00 21.31 H new ATOM 0 HG22 THR A 19 7.583 11.953 6.437 1.00 21.31 H new ATOM 0 HG23 THR A 19 8.839 13.174 6.753 1.00 21.31 H new ATOM 407 N TYR A 27 -0.827 11.448 -3.882 1.00 73.20 N ATOM 408 CA TYR A 27 -0.791 9.980 -3.889 1.00 23.43 C ATOM 409 C TYR A 27 -2.090 9.405 -3.287 1.00 11.34 C ATOM 410 O TYR A 27 -2.114 8.981 -2.127 1.00 22.44 O ATOM 411 CB TYR A 27 0.450 9.479 -3.097 1.00 34.20 C ATOM 412 CG TYR A 27 1.806 10.004 -3.586 1.00 42.02 C ATOM 413 CD1 TYR A 27 2.284 9.680 -4.853 1.00 13.02 C ATOM 414 CD2 TYR A 27 2.620 10.799 -2.772 1.00 44.12 C ATOM 415 CE1 TYR A 27 3.512 10.124 -5.286 1.00 73.11 C ATOM 416 CE2 TYR A 27 3.854 11.236 -3.207 1.00 70.32 C ATOM 417 CZ TYR A 27 4.293 10.897 -4.461 1.00 4.24 C ATOM 418 OH TYR A 27 5.531 11.320 -4.889 1.00 21.14 O ATOM 0 HA TYR A 27 -0.713 9.633 -4.919 1.00 23.43 H new ATOM 0 HB2 TYR A 27 0.328 9.759 -2.051 1.00 34.20 H new ATOM 0 HB3 TYR A 27 0.467 8.390 -3.135 1.00 34.20 H new ATOM 0 HD1 TYR A 27 1.680 9.069 -5.508 1.00 13.02 H new ATOM 0 HD2 TYR A 27 2.276 11.075 -1.786 1.00 44.12 H new ATOM 0 HE1 TYR A 27 3.862 9.865 -6.274 1.00 73.11 H new ATOM 0 HE2 TYR A 27 4.472 11.843 -2.562 1.00 70.32 H new ATOM 0 HH TYR A 27 5.558 12.300 -4.895 1.00 21.14 H new ATOM 428 N THR A 28 -3.195 9.477 -4.050 1.00 74.15 N ATOM 429 CA THR A 28 -4.489 8.897 -3.642 1.00 20.21 C ATOM 430 C THR A 28 -5.213 8.280 -4.852 1.00 31.42 C ATOM 431 O THR A 28 -5.424 8.947 -5.877 1.00 21.55 O ATOM 432 CB THR A 28 -5.398 9.955 -2.931 1.00 52.22 C ATOM 433 OG1 THR A 28 -4.697 10.483 -1.792 1.00 0.22 O ATOM 434 CG2 THR A 28 -6.744 9.359 -2.460 1.00 52.22 C ATOM 0 H THR A 28 -3.218 9.935 -4.961 1.00 74.15 H new ATOM 0 HA THR A 28 -4.283 8.106 -2.921 1.00 20.21 H new ATOM 0 HB THR A 28 -5.620 10.738 -3.656 1.00 52.22 H new ATOM 0 HG1 THR A 28 -5.259 11.148 -1.342 1.00 0.22 H new ATOM 0 HG21 THR A 28 -7.335 10.135 -1.974 1.00 52.22 H new ATOM 0 HG22 THR A 28 -7.291 8.971 -3.319 1.00 52.22 H new ATOM 0 HG23 THR A 28 -6.557 8.550 -1.754 1.00 52.22 H new ATOM 442 N TYR A 29 -5.562 6.992 -4.720 1.00 3.45 N ATOM 443 CA TYR A 29 -6.346 6.225 -5.700 1.00 34.43 C ATOM 444 C TYR A 29 -7.448 5.481 -4.929 1.00 43.21 C ATOM 445 O TYR A 29 -7.290 5.216 -3.731 1.00 20.22 O ATOM 446 CB TYR A 29 -5.439 5.210 -6.467 1.00 14.34 C ATOM 447 CG TYR A 29 -4.201 5.849 -7.129 1.00 72.11 C ATOM 448 CD1 TYR A 29 -4.325 6.635 -8.281 1.00 34.23 C ATOM 449 CD2 TYR A 29 -2.916 5.695 -6.586 1.00 42.13 C ATOM 450 CE1 TYR A 29 -3.221 7.236 -8.864 1.00 62.41 C ATOM 451 CE2 TYR A 29 -1.810 6.293 -7.172 1.00 64.34 C ATOM 452 CZ TYR A 29 -1.968 7.065 -8.305 1.00 5.14 C ATOM 453 OH TYR A 29 -0.871 7.667 -8.891 1.00 54.11 O ATOM 0 H TYR A 29 -5.299 6.439 -3.905 1.00 3.45 H new ATOM 0 HA TYR A 29 -6.780 6.896 -6.442 1.00 34.43 H new ATOM 0 HB2 TYR A 29 -5.109 4.437 -5.773 1.00 14.34 H new ATOM 0 HB3 TYR A 29 -6.034 4.715 -7.235 1.00 14.34 H new ATOM 0 HD1 TYR A 29 -5.300 6.776 -8.724 1.00 34.23 H new ATOM 0 HD2 TYR A 29 -2.786 5.099 -5.695 1.00 42.13 H new ATOM 0 HE1 TYR A 29 -3.339 7.837 -9.754 1.00 62.41 H new ATOM 0 HE2 TYR A 29 -0.829 6.155 -6.743 1.00 64.34 H new ATOM 0 HH TYR A 29 -0.447 7.040 -9.513 1.00 54.11 H new ATOM 463 N THR A 30 -8.563 5.168 -5.595 1.00 1.03 N ATOM 464 CA THR A 30 -9.605 4.296 -5.040 1.00 71.33 C ATOM 465 C THR A 30 -9.852 3.171 -6.046 1.00 33.04 C ATOM 466 O THR A 30 -10.454 3.389 -7.107 1.00 40.44 O ATOM 467 CB THR A 30 -10.932 5.073 -4.732 1.00 1.11 C ATOM 468 OG1 THR A 30 -10.646 6.183 -3.866 1.00 64.24 O ATOM 469 CG2 THR A 30 -11.999 4.179 -4.060 1.00 22.21 C ATOM 0 H THR A 30 -8.770 5.511 -6.533 1.00 1.03 H new ATOM 0 HA THR A 30 -9.266 3.894 -4.085 1.00 71.33 H new ATOM 0 HB THR A 30 -11.334 5.414 -5.686 1.00 1.11 H new ATOM 0 HG1 THR A 30 -11.474 6.670 -3.674 1.00 64.24 H new ATOM 0 HG21 THR A 30 -12.897 4.766 -3.869 1.00 22.21 H new ATOM 0 HG22 THR A 30 -12.243 3.346 -4.719 1.00 22.21 H new ATOM 0 HG23 THR A 30 -11.610 3.794 -3.118 1.00 22.21 H new ATOM 477 N VAL A 31 -9.344 1.980 -5.719 1.00 20.01 N ATOM 478 CA VAL A 31 -9.480 0.782 -6.555 1.00 55.24 C ATOM 479 C VAL A 31 -10.577 -0.111 -5.962 1.00 1.14 C ATOM 480 O VAL A 31 -10.834 -0.067 -4.760 1.00 24.13 O ATOM 481 CB VAL A 31 -8.114 -0.002 -6.668 1.00 63.54 C ATOM 482 CG1 VAL A 31 -7.021 0.886 -7.309 1.00 13.31 C ATOM 483 CG2 VAL A 31 -7.642 -0.550 -5.301 1.00 11.14 C ATOM 0 H VAL A 31 -8.821 1.818 -4.858 1.00 20.01 H new ATOM 0 HA VAL A 31 -9.757 1.081 -7.566 1.00 55.24 H new ATOM 0 HB VAL A 31 -8.290 -0.860 -7.317 1.00 63.54 H new ATOM 0 HG11 VAL A 31 -6.089 0.324 -7.376 1.00 13.31 H new ATOM 0 HG12 VAL A 31 -7.336 1.187 -8.308 1.00 13.31 H new ATOM 0 HG13 VAL A 31 -6.866 1.773 -6.695 1.00 13.31 H new ATOM 0 HG21 VAL A 31 -6.699 -1.082 -5.428 1.00 11.14 H new ATOM 0 HG22 VAL A 31 -7.501 0.278 -4.606 1.00 11.14 H new ATOM 0 HG23 VAL A 31 -8.393 -1.233 -4.904 1.00 11.14 H new ATOM 493 N THR A 32 -11.235 -0.901 -6.807 1.00 3.43 N ATOM 494 CA THR A 32 -12.341 -1.789 -6.382 1.00 45.41 C ATOM 495 C THR A 32 -11.998 -3.262 -6.683 1.00 63.21 C ATOM 496 O THR A 32 -12.640 -4.185 -6.166 1.00 51.31 O ATOM 497 CB THR A 32 -13.680 -1.346 -7.064 1.00 71.23 C ATOM 498 OG1 THR A 32 -14.772 -2.188 -6.661 1.00 64.13 O ATOM 499 CG2 THR A 32 -13.571 -1.332 -8.599 1.00 53.31 C ATOM 0 H THR A 32 -11.026 -0.952 -7.804 1.00 3.43 H new ATOM 0 HA THR A 32 -12.476 -1.704 -5.304 1.00 45.41 H new ATOM 0 HB THR A 32 -13.876 -0.327 -6.730 1.00 71.23 H new ATOM 0 HG1 THR A 32 -15.595 -1.888 -7.100 1.00 64.13 H new ATOM 0 HG21 THR A 32 -14.523 -1.019 -9.028 1.00 53.31 H new ATOM 0 HG22 THR A 32 -12.789 -0.635 -8.902 1.00 53.31 H new ATOM 0 HG23 THR A 32 -13.324 -2.332 -8.955 1.00 53.31 H new ATOM 507 N THR A 33 -10.964 -3.463 -7.514 1.00 65.41 N ATOM 508 CA THR A 33 -10.382 -4.778 -7.804 1.00 44.32 C ATOM 509 C THR A 33 -8.926 -4.779 -7.302 1.00 43.34 C ATOM 510 O THR A 33 -8.219 -3.769 -7.434 1.00 73.23 O ATOM 511 CB THR A 33 -10.432 -5.075 -9.338 1.00 51.23 C ATOM 512 OG1 THR A 33 -11.768 -4.876 -9.826 1.00 21.05 O ATOM 513 CG2 THR A 33 -9.969 -6.503 -9.686 1.00 2.25 C ATOM 0 H THR A 33 -10.502 -2.701 -8.011 1.00 65.41 H new ATOM 0 HA THR A 33 -10.952 -5.557 -7.299 1.00 44.32 H new ATOM 0 HB THR A 33 -9.740 -4.383 -9.819 1.00 51.23 H new ATOM 0 HG1 THR A 33 -11.796 -5.061 -10.788 1.00 21.05 H new ATOM 0 HG21 THR A 33 -10.025 -6.651 -10.764 1.00 2.25 H new ATOM 0 HG22 THR A 33 -8.940 -6.643 -9.354 1.00 2.25 H new ATOM 0 HG23 THR A 33 -10.613 -7.226 -9.186 1.00 2.25 H new ATOM 521 N GLU A 34 -8.488 -5.918 -6.748 1.00 10.04 N ATOM 522 CA GLU A 34 -7.154 -6.063 -6.127 1.00 72.34 C ATOM 523 C GLU A 34 -6.046 -6.159 -7.194 1.00 3.33 C ATOM 524 O GLU A 34 -4.877 -5.934 -6.895 1.00 13.52 O ATOM 525 CB GLU A 34 -7.140 -7.300 -5.203 1.00 53.30 C ATOM 526 CG GLU A 34 -8.336 -7.359 -4.227 1.00 62.44 C ATOM 527 CD GLU A 34 -8.429 -8.696 -3.491 1.00 33.00 C ATOM 528 OE1 GLU A 34 -8.597 -9.731 -4.169 1.00 70.44 O ATOM 529 OE2 GLU A 34 -8.288 -8.737 -2.250 1.00 43.10 O ATOM 0 H GLU A 34 -9.047 -6.770 -6.715 1.00 10.04 H new ATOM 0 HA GLU A 34 -6.952 -5.174 -5.530 1.00 72.34 H new ATOM 0 HB2 GLU A 34 -7.138 -8.201 -5.817 1.00 53.30 H new ATOM 0 HB3 GLU A 34 -6.213 -7.303 -4.629 1.00 53.30 H new ATOM 0 HG2 GLU A 34 -8.246 -6.553 -3.499 1.00 62.44 H new ATOM 0 HG3 GLU A 34 -9.260 -7.188 -4.779 1.00 62.44 H new ATOM 536 N SER A 35 -6.437 -6.497 -8.439 1.00 54.51 N ATOM 537 CA SER A 35 -5.533 -6.474 -9.606 1.00 21.54 C ATOM 538 C SER A 35 -5.128 -5.020 -9.939 1.00 23.52 C ATOM 539 O SER A 35 -3.969 -4.750 -10.271 1.00 3.34 O ATOM 540 CB SER A 35 -6.223 -7.139 -10.818 1.00 21.34 C ATOM 541 OG SER A 35 -6.657 -8.458 -10.504 1.00 54.20 O ATOM 0 H SER A 35 -7.387 -6.793 -8.663 1.00 54.51 H new ATOM 0 HA SER A 35 -4.629 -7.035 -9.368 1.00 21.54 H new ATOM 0 HB2 SER A 35 -7.077 -6.537 -11.129 1.00 21.34 H new ATOM 0 HB3 SER A 35 -5.532 -7.172 -11.660 1.00 21.34 H new ATOM 0 HG SER A 35 -7.091 -8.855 -11.288 1.00 54.20 H new ATOM 547 N GLU A 36 -6.109 -4.096 -9.809 1.00 14.44 N ATOM 548 CA GLU A 36 -5.906 -2.641 -10.000 1.00 25.43 C ATOM 549 C GLU A 36 -4.986 -2.090 -8.899 1.00 50.15 C ATOM 550 O GLU A 36 -4.163 -1.212 -9.144 1.00 3.54 O ATOM 551 CB GLU A 36 -7.274 -1.902 -9.985 1.00 41.45 C ATOM 552 CG GLU A 36 -8.299 -2.435 -11.005 1.00 62.21 C ATOM 553 CD GLU A 36 -9.682 -1.773 -10.901 1.00 11.35 C ATOM 554 OE1 GLU A 36 -10.202 -1.625 -9.769 1.00 53.13 O ATOM 555 OE2 GLU A 36 -10.272 -1.424 -11.950 1.00 33.42 O ATOM 0 H GLU A 36 -7.069 -4.341 -9.567 1.00 14.44 H new ATOM 0 HA GLU A 36 -5.433 -2.473 -10.967 1.00 25.43 H new ATOM 0 HB2 GLU A 36 -7.702 -1.977 -8.985 1.00 41.45 H new ATOM 0 HB3 GLU A 36 -7.103 -0.843 -10.180 1.00 41.45 H new ATOM 0 HG2 GLU A 36 -7.909 -2.283 -12.011 1.00 62.21 H new ATOM 0 HG3 GLU A 36 -8.410 -3.510 -10.866 1.00 62.21 H new ATOM 562 N LEU A 37 -5.143 -2.659 -7.689 1.00 32.10 N ATOM 563 CA LEU A 37 -4.316 -2.343 -6.513 1.00 24.31 C ATOM 564 C LEU A 37 -2.833 -2.668 -6.782 1.00 73.44 C ATOM 565 O LEU A 37 -1.962 -1.819 -6.601 1.00 42.00 O ATOM 566 CB LEU A 37 -4.846 -3.137 -5.291 1.00 74.21 C ATOM 567 CG LEU A 37 -4.087 -2.953 -3.945 1.00 51.32 C ATOM 568 CD1 LEU A 37 -4.085 -1.487 -3.485 1.00 53.24 C ATOM 569 CD2 LEU A 37 -4.678 -3.868 -2.864 1.00 44.10 C ATOM 0 H LEU A 37 -5.859 -3.361 -7.500 1.00 32.10 H new ATOM 0 HA LEU A 37 -4.382 -1.276 -6.302 1.00 24.31 H new ATOM 0 HB2 LEU A 37 -5.888 -2.859 -5.133 1.00 74.21 H new ATOM 0 HB3 LEU A 37 -4.834 -4.197 -5.545 1.00 74.21 H new ATOM 0 HG LEU A 37 -3.048 -3.239 -4.110 1.00 51.32 H new ATOM 0 HD11 LEU A 37 -3.545 -1.402 -2.542 1.00 53.24 H new ATOM 0 HD12 LEU A 37 -3.597 -0.870 -4.239 1.00 53.24 H new ATOM 0 HD13 LEU A 37 -5.112 -1.148 -3.347 1.00 53.24 H new ATOM 0 HD21 LEU A 37 -4.135 -3.726 -1.930 1.00 44.10 H new ATOM 0 HD22 LEU A 37 -5.729 -3.622 -2.714 1.00 44.10 H new ATOM 0 HD23 LEU A 37 -4.591 -4.908 -3.180 1.00 44.10 H new ATOM 581 N GLN A 38 -2.575 -3.897 -7.264 1.00 74.04 N ATOM 582 CA GLN A 38 -1.213 -4.389 -7.585 1.00 33.35 C ATOM 583 C GLN A 38 -0.515 -3.515 -8.662 1.00 41.12 C ATOM 584 O GLN A 38 0.721 -3.424 -8.693 1.00 14.22 O ATOM 585 CB GLN A 38 -1.308 -5.872 -8.040 1.00 31.34 C ATOM 586 CG GLN A 38 -1.827 -6.830 -6.937 1.00 73.52 C ATOM 587 CD GLN A 38 -2.263 -8.210 -7.447 1.00 72.42 C ATOM 588 OE1 GLN A 38 -2.698 -8.359 -8.594 1.00 30.33 O ATOM 589 NE2 GLN A 38 -2.184 -9.227 -6.594 1.00 54.12 N ATOM 0 H GLN A 38 -3.306 -4.585 -7.445 1.00 74.04 H new ATOM 0 HA GLN A 38 -0.596 -4.320 -6.689 1.00 33.35 H new ATOM 0 HB2 GLN A 38 -1.969 -5.936 -8.905 1.00 31.34 H new ATOM 0 HB3 GLN A 38 -0.323 -6.207 -8.366 1.00 31.34 H new ATOM 0 HG2 GLN A 38 -1.044 -6.963 -6.191 1.00 73.52 H new ATOM 0 HG3 GLN A 38 -2.671 -6.360 -6.433 1.00 73.52 H new ATOM 0 HE21 GLN A 38 -1.821 -9.076 -5.653 1.00 54.12 H new ATOM 0 HE22 GLN A 38 -2.487 -10.158 -6.881 1.00 54.12 H new ATOM 598 N LYS A 39 -1.327 -2.871 -9.523 1.00 50.14 N ATOM 599 CA LYS A 39 -0.850 -1.917 -10.543 1.00 61.23 C ATOM 600 C LYS A 39 -0.449 -0.581 -9.891 1.00 15.43 C ATOM 601 O LYS A 39 0.693 -0.124 -10.044 1.00 52.43 O ATOM 602 CB LYS A 39 -1.956 -1.661 -11.598 1.00 34.41 C ATOM 603 CG LYS A 39 -2.356 -2.890 -12.441 1.00 22.15 C ATOM 604 CD LYS A 39 -3.534 -2.576 -13.393 1.00 53.41 C ATOM 605 CE LYS A 39 -3.209 -1.443 -14.382 1.00 22.01 C ATOM 606 NZ LYS A 39 -4.400 -1.017 -15.161 1.00 24.43 N ATOM 0 H LYS A 39 -2.339 -2.999 -9.530 1.00 50.14 H new ATOM 0 HA LYS A 39 0.023 -2.351 -11.031 1.00 61.23 H new ATOM 0 HB2 LYS A 39 -2.843 -1.286 -11.088 1.00 34.41 H new ATOM 0 HB3 LYS A 39 -1.619 -0.873 -12.271 1.00 34.41 H new ATOM 0 HG2 LYS A 39 -1.498 -3.226 -13.023 1.00 22.15 H new ATOM 0 HG3 LYS A 39 -2.633 -3.710 -11.779 1.00 22.15 H new ATOM 0 HD2 LYS A 39 -3.796 -3.476 -13.950 1.00 53.41 H new ATOM 0 HD3 LYS A 39 -4.409 -2.300 -12.804 1.00 53.41 H new ATOM 0 HE2 LYS A 39 -2.811 -0.589 -13.835 1.00 22.01 H new ATOM 0 HE3 LYS A 39 -2.429 -1.774 -15.067 1.00 22.01 H new ATOM 0 HZ1 LYS A 39 -4.133 -0.252 -15.813 1.00 24.43 H new ATOM 0 HZ2 LYS A 39 -4.766 -1.824 -15.705 1.00 24.43 H new ATOM 0 HZ3 LYS A 39 -5.136 -0.676 -14.511 1.00 24.43 H new ATOM 620 N VAL A 40 -1.399 0.021 -9.133 1.00 1.50 N ATOM 621 CA VAL A 40 -1.232 1.379 -8.574 1.00 70.22 C ATOM 622 C VAL A 40 -0.127 1.435 -7.505 1.00 60.32 C ATOM 623 O VAL A 40 0.411 2.500 -7.259 1.00 73.13 O ATOM 624 CB VAL A 40 -2.574 1.989 -7.998 1.00 51.41 C ATOM 625 CG1 VAL A 40 -3.680 2.025 -9.077 1.00 10.43 C ATOM 626 CG2 VAL A 40 -3.052 1.262 -6.718 1.00 53.43 C ATOM 0 H VAL A 40 -2.289 -0.417 -8.896 1.00 1.50 H new ATOM 0 HA VAL A 40 -0.930 1.997 -9.420 1.00 70.22 H new ATOM 0 HB VAL A 40 -2.356 3.017 -7.708 1.00 51.41 H new ATOM 0 HG11 VAL A 40 -4.590 2.449 -8.652 1.00 10.43 H new ATOM 0 HG12 VAL A 40 -3.351 2.639 -9.915 1.00 10.43 H new ATOM 0 HG13 VAL A 40 -3.881 1.012 -9.426 1.00 10.43 H new ATOM 0 HG21 VAL A 40 -3.976 1.719 -6.364 1.00 53.43 H new ATOM 0 HG22 VAL A 40 -3.230 0.210 -6.942 1.00 53.43 H new ATOM 0 HG23 VAL A 40 -2.287 1.344 -5.946 1.00 53.43 H new ATOM 636 N LEU A 41 0.194 0.276 -6.883 1.00 2.15 N ATOM 637 CA LEU A 41 1.269 0.166 -5.867 1.00 74.31 C ATOM 638 C LEU A 41 2.655 0.073 -6.522 1.00 33.43 C ATOM 639 O LEU A 41 3.630 0.594 -5.981 1.00 73.10 O ATOM 640 CB LEU A 41 1.047 -1.067 -4.954 1.00 61.40 C ATOM 641 CG LEU A 41 -0.239 -1.044 -4.084 1.00 22.51 C ATOM 642 CD1 LEU A 41 -0.370 -2.354 -3.278 1.00 73.51 C ATOM 643 CD2 LEU A 41 -0.272 0.202 -3.171 1.00 15.34 C ATOM 0 H LEU A 41 -0.283 -0.606 -7.070 1.00 2.15 H new ATOM 0 HA LEU A 41 1.229 1.072 -5.262 1.00 74.31 H new ATOM 0 HB2 LEU A 41 1.023 -1.959 -5.580 1.00 61.40 H new ATOM 0 HB3 LEU A 41 1.908 -1.165 -4.293 1.00 61.40 H new ATOM 0 HG LEU A 41 -1.103 -0.976 -4.745 1.00 22.51 H new ATOM 0 HD11 LEU A 41 -1.277 -2.320 -2.674 1.00 73.51 H new ATOM 0 HD12 LEU A 41 -0.422 -3.200 -3.964 1.00 73.51 H new ATOM 0 HD13 LEU A 41 0.496 -2.468 -2.626 1.00 73.51 H new ATOM 0 HD21 LEU A 41 -1.184 0.191 -2.574 1.00 15.34 H new ATOM 0 HD22 LEU A 41 0.595 0.192 -2.510 1.00 15.34 H new ATOM 0 HD23 LEU A 41 -0.251 1.103 -3.784 1.00 15.34 H new ATOM 655 N ASN A 42 2.730 -0.619 -7.676 1.00 3.02 N ATOM 656 CA ASN A 42 3.983 -0.759 -8.452 1.00 74.25 C ATOM 657 C ASN A 42 4.372 0.626 -9.027 1.00 13.03 C ATOM 658 O ASN A 42 5.548 1.014 -9.034 1.00 61.03 O ATOM 659 CB ASN A 42 3.803 -1.817 -9.589 1.00 44.31 C ATOM 660 CG ASN A 42 5.121 -2.334 -10.205 1.00 30.44 C ATOM 661 OD1 ASN A 42 6.150 -1.657 -10.215 1.00 42.10 O ATOM 662 ND2 ASN A 42 5.090 -3.545 -10.731 1.00 74.02 N ATOM 0 H ASN A 42 1.931 -1.094 -8.096 1.00 3.02 H new ATOM 0 HA ASN A 42 4.785 -1.111 -7.804 1.00 74.25 H new ATOM 0 HB2 ASN A 42 3.246 -2.666 -9.192 1.00 44.31 H new ATOM 0 HB3 ASN A 42 3.195 -1.379 -10.381 1.00 44.31 H new ATOM 0 HD21 ASN A 42 5.930 -3.938 -11.157 1.00 74.02 H new ATOM 0 HD22 ASN A 42 4.227 -4.088 -10.711 1.00 74.02 H new ATOM 669 N GLU A 43 3.334 1.366 -9.451 1.00 21.55 N ATOM 670 CA GLU A 43 3.442 2.734 -9.974 1.00 15.04 C ATOM 671 C GLU A 43 3.767 3.743 -8.842 1.00 4.40 C ATOM 672 O GLU A 43 4.629 4.618 -8.999 1.00 51.15 O ATOM 673 CB GLU A 43 2.105 3.118 -10.641 1.00 22.33 C ATOM 674 CG GLU A 43 2.112 4.512 -11.285 1.00 62.10 C ATOM 675 CD GLU A 43 0.709 5.046 -11.547 1.00 2.11 C ATOM 676 OE1 GLU A 43 0.051 5.452 -10.572 1.00 11.42 O ATOM 677 OE2 GLU A 43 0.260 5.065 -12.712 1.00 12.14 O ATOM 0 H GLU A 43 2.375 1.019 -9.438 1.00 21.55 H new ATOM 0 HA GLU A 43 4.254 2.770 -10.700 1.00 15.04 H new ATOM 0 HB2 GLU A 43 1.864 2.377 -11.403 1.00 22.33 H new ATOM 0 HB3 GLU A 43 1.312 3.077 -9.894 1.00 22.33 H new ATOM 0 HG2 GLU A 43 2.645 5.206 -10.634 1.00 62.10 H new ATOM 0 HG3 GLU A 43 2.662 4.471 -12.225 1.00 62.10 H new ATOM 684 N LEU A 44 3.050 3.596 -7.704 1.00 2.43 N ATOM 685 CA LEU A 44 3.218 4.432 -6.489 1.00 55.11 C ATOM 686 C LEU A 44 4.663 4.357 -5.985 1.00 43.30 C ATOM 687 O LEU A 44 5.271 5.368 -5.654 1.00 22.04 O ATOM 688 CB LEU A 44 2.237 3.944 -5.381 1.00 65.11 C ATOM 689 CG LEU A 44 2.221 4.729 -4.038 1.00 50.15 C ATOM 690 CD1 LEU A 44 1.880 6.216 -4.257 1.00 12.12 C ATOM 691 CD2 LEU A 44 1.249 4.067 -3.036 1.00 2.03 C ATOM 0 H LEU A 44 2.328 2.883 -7.601 1.00 2.43 H new ATOM 0 HA LEU A 44 2.993 5.469 -6.737 1.00 55.11 H new ATOM 0 HB2 LEU A 44 1.228 3.963 -5.793 1.00 65.11 H new ATOM 0 HB3 LEU A 44 2.472 2.903 -5.159 1.00 65.11 H new ATOM 0 HG LEU A 44 3.224 4.691 -3.612 1.00 50.15 H new ATOM 0 HD11 LEU A 44 1.878 6.734 -3.298 1.00 12.12 H new ATOM 0 HD12 LEU A 44 2.626 6.668 -4.911 1.00 12.12 H new ATOM 0 HD13 LEU A 44 0.895 6.300 -4.717 1.00 12.12 H new ATOM 0 HD21 LEU A 44 1.250 4.629 -2.102 1.00 2.03 H new ATOM 0 HD22 LEU A 44 0.243 4.062 -3.455 1.00 2.03 H new ATOM 0 HD23 LEU A 44 1.567 3.042 -2.843 1.00 2.03 H new ATOM 703 N LYS A 45 5.183 3.126 -5.980 1.00 30.32 N ATOM 704 CA LYS A 45 6.576 2.799 -5.635 1.00 22.33 C ATOM 705 C LYS A 45 7.580 3.574 -6.514 1.00 30.11 C ATOM 706 O LYS A 45 8.555 4.127 -6.013 1.00 61.23 O ATOM 707 CB LYS A 45 6.765 1.282 -5.834 1.00 23.22 C ATOM 708 CG LYS A 45 8.193 0.744 -5.616 1.00 14.53 C ATOM 709 CD LYS A 45 8.314 -0.733 -6.038 1.00 2.21 C ATOM 710 CE LYS A 45 7.963 -0.970 -7.522 1.00 52.43 C ATOM 711 NZ LYS A 45 8.035 -2.411 -7.903 1.00 53.31 N ATOM 0 H LYS A 45 4.632 2.302 -6.223 1.00 30.32 H new ATOM 0 HA LYS A 45 6.768 3.087 -4.601 1.00 22.33 H new ATOM 0 HB2 LYS A 45 6.094 0.760 -5.152 1.00 23.22 H new ATOM 0 HB3 LYS A 45 6.453 1.027 -6.847 1.00 23.22 H new ATOM 0 HG2 LYS A 45 8.900 1.345 -6.188 1.00 14.53 H new ATOM 0 HG3 LYS A 45 8.464 0.846 -4.565 1.00 14.53 H new ATOM 0 HD2 LYS A 45 9.332 -1.075 -5.853 1.00 2.21 H new ATOM 0 HD3 LYS A 45 7.656 -1.338 -5.414 1.00 2.21 H new ATOM 0 HE2 LYS A 45 6.959 -0.595 -7.719 1.00 52.43 H new ATOM 0 HE3 LYS A 45 8.646 -0.397 -8.150 1.00 52.43 H new ATOM 0 HZ1 LYS A 45 7.631 -2.540 -8.853 1.00 53.31 H new ATOM 0 HZ2 LYS A 45 9.028 -2.721 -7.904 1.00 53.31 H new ATOM 0 HZ3 LYS A 45 7.496 -2.979 -7.218 1.00 53.31 H new ATOM 725 N ASP A 46 7.300 3.612 -7.828 1.00 72.42 N ATOM 726 CA ASP A 46 8.133 4.315 -8.827 1.00 41.04 C ATOM 727 C ASP A 46 8.181 5.834 -8.534 1.00 12.30 C ATOM 728 O ASP A 46 9.207 6.492 -8.742 1.00 12.14 O ATOM 729 CB ASP A 46 7.569 4.035 -10.246 1.00 35.10 C ATOM 730 CG ASP A 46 8.344 4.738 -11.372 1.00 42.30 C ATOM 731 OD1 ASP A 46 9.496 4.340 -11.651 1.00 74.43 O ATOM 732 OD2 ASP A 46 7.815 5.691 -11.980 1.00 73.02 O ATOM 0 H ASP A 46 6.484 3.153 -8.233 1.00 72.42 H new ATOM 0 HA ASP A 46 9.156 3.943 -8.771 1.00 41.04 H new ATOM 0 HB2 ASP A 46 7.581 2.960 -10.426 1.00 35.10 H new ATOM 0 HB3 ASP A 46 6.527 4.353 -10.282 1.00 35.10 H new ATOM 737 N TYR A 47 7.060 6.361 -8.016 1.00 13.40 N ATOM 738 CA TYR A 47 6.928 7.779 -7.630 1.00 14.22 C ATOM 739 C TYR A 47 7.719 8.091 -6.334 1.00 3.02 C ATOM 740 O TYR A 47 8.462 9.084 -6.268 1.00 64.42 O ATOM 741 CB TYR A 47 5.431 8.136 -7.435 1.00 34.11 C ATOM 742 CG TYR A 47 4.532 8.088 -8.698 1.00 4.31 C ATOM 743 CD1 TYR A 47 5.020 7.739 -9.970 1.00 35.13 C ATOM 744 CD2 TYR A 47 3.175 8.420 -8.606 1.00 74.41 C ATOM 745 CE1 TYR A 47 4.192 7.725 -11.082 1.00 2.45 C ATOM 746 CE2 TYR A 47 2.351 8.409 -9.716 1.00 40.44 C ATOM 747 CZ TYR A 47 2.863 8.061 -10.948 1.00 13.14 C ATOM 748 OH TYR A 47 2.040 8.049 -12.057 1.00 34.52 O ATOM 0 H TYR A 47 6.215 5.815 -7.852 1.00 13.40 H new ATOM 0 HA TYR A 47 7.347 8.386 -8.433 1.00 14.22 H new ATOM 0 HB2 TYR A 47 5.013 7.455 -6.694 1.00 34.11 H new ATOM 0 HB3 TYR A 47 5.373 9.140 -7.014 1.00 34.11 H new ATOM 0 HD1 TYR A 47 6.061 7.476 -10.083 1.00 35.13 H new ATOM 0 HD2 TYR A 47 2.762 8.691 -7.645 1.00 74.41 H new ATOM 0 HE1 TYR A 47 4.587 7.452 -12.049 1.00 2.45 H new ATOM 0 HE2 TYR A 47 1.308 8.672 -9.618 1.00 40.44 H new ATOM 0 HH TYR A 47 1.133 8.309 -11.794 1.00 34.52 H new ATOM 758 N ILE A 48 7.555 7.209 -5.320 1.00 32.45 N ATOM 759 CA ILE A 48 8.143 7.375 -3.970 1.00 72.42 C ATOM 760 C ILE A 48 9.681 7.237 -4.008 1.00 74.13 C ATOM 761 O ILE A 48 10.392 7.949 -3.300 1.00 63.10 O ATOM 762 CB ILE A 48 7.555 6.317 -2.951 1.00 42.23 C ATOM 763 CG1 ILE A 48 6.002 6.443 -2.818 1.00 53.44 C ATOM 764 CG2 ILE A 48 8.223 6.434 -1.556 1.00 42.41 C ATOM 765 CD1 ILE A 48 5.359 5.341 -1.987 1.00 52.25 C ATOM 0 H ILE A 48 7.006 6.355 -5.417 1.00 32.45 H new ATOM 0 HA ILE A 48 7.881 8.378 -3.634 1.00 72.42 H new ATOM 0 HB ILE A 48 7.783 5.332 -3.358 1.00 42.23 H new ATOM 0 HG12 ILE A 48 5.763 7.408 -2.370 1.00 53.44 H new ATOM 0 HG13 ILE A 48 5.561 6.436 -3.815 1.00 53.44 H new ATOM 0 HG21 ILE A 48 7.793 5.692 -0.883 1.00 42.41 H new ATOM 0 HG22 ILE A 48 9.295 6.261 -1.650 1.00 42.41 H new ATOM 0 HG23 ILE A 48 8.051 7.432 -1.153 1.00 42.41 H new ATOM 0 HD11 ILE A 48 4.282 5.500 -1.943 1.00 52.25 H new ATOM 0 HD12 ILE A 48 5.564 4.373 -2.445 1.00 52.25 H new ATOM 0 HD13 ILE A 48 5.770 5.360 -0.978 1.00 52.25 H new ATOM 777 N LYS A 49 10.175 6.309 -4.853 1.00 2.42 N ATOM 778 CA LYS A 49 11.621 6.024 -4.996 1.00 12.41 C ATOM 779 C LYS A 49 12.394 7.264 -5.473 1.00 62.15 C ATOM 780 O LYS A 49 13.543 7.498 -5.072 1.00 32.34 O ATOM 781 CB LYS A 49 11.839 4.837 -5.970 1.00 10.23 C ATOM 782 CG LYS A 49 13.311 4.400 -6.122 1.00 0.21 C ATOM 783 CD LYS A 49 13.474 3.104 -6.942 1.00 15.00 C ATOM 784 CE LYS A 49 12.791 1.889 -6.286 1.00 41.12 C ATOM 785 NZ LYS A 49 13.099 0.627 -7.013 1.00 41.35 N ATOM 0 H LYS A 49 9.585 5.736 -5.456 1.00 2.42 H new ATOM 0 HA LYS A 49 12.009 5.751 -4.015 1.00 12.41 H new ATOM 0 HB2 LYS A 49 11.254 3.986 -5.623 1.00 10.23 H new ATOM 0 HB3 LYS A 49 11.451 5.112 -6.951 1.00 10.23 H new ATOM 0 HG2 LYS A 49 13.874 5.200 -6.602 1.00 0.21 H new ATOM 0 HG3 LYS A 49 13.745 4.254 -5.133 1.00 0.21 H new ATOM 0 HD2 LYS A 49 13.057 3.255 -7.938 1.00 15.00 H new ATOM 0 HD3 LYS A 49 14.536 2.892 -7.070 1.00 15.00 H new ATOM 0 HE2 LYS A 49 13.119 1.802 -5.250 1.00 41.12 H new ATOM 0 HE3 LYS A 49 11.712 2.044 -6.267 1.00 41.12 H new ATOM 0 HZ1 LYS A 49 12.350 -0.071 -6.830 1.00 41.35 H new ATOM 0 HZ2 LYS A 49 13.152 0.818 -8.034 1.00 41.35 H new ATOM 0 HZ3 LYS A 49 14.011 0.250 -6.684 1.00 41.35 H new ATOM 799 N LYS A 50 11.730 8.058 -6.319 1.00 35.22 N ATOM 800 CA LYS A 50 12.288 9.295 -6.866 1.00 45.12 C ATOM 801 C LYS A 50 12.252 10.410 -5.795 1.00 43.54 C ATOM 802 O LYS A 50 13.181 11.221 -5.700 1.00 65.15 O ATOM 803 CB LYS A 50 11.492 9.701 -8.133 1.00 71.23 C ATOM 804 CG LYS A 50 12.142 10.819 -8.981 1.00 13.13 C ATOM 805 CD LYS A 50 11.321 11.163 -10.247 1.00 2.33 C ATOM 806 CE LYS A 50 9.894 11.645 -9.929 1.00 55.13 C ATOM 807 NZ LYS A 50 9.879 12.849 -9.053 1.00 42.11 N ATOM 0 H LYS A 50 10.784 7.858 -6.644 1.00 35.22 H new ATOM 0 HA LYS A 50 13.329 9.139 -7.149 1.00 45.12 H new ATOM 0 HB2 LYS A 50 11.361 8.819 -8.760 1.00 71.23 H new ATOM 0 HB3 LYS A 50 10.497 10.027 -7.830 1.00 71.23 H new ATOM 0 HG2 LYS A 50 12.252 11.715 -8.370 1.00 13.13 H new ATOM 0 HG3 LYS A 50 13.144 10.509 -9.276 1.00 13.13 H new ATOM 0 HD2 LYS A 50 11.842 11.936 -10.812 1.00 2.33 H new ATOM 0 HD3 LYS A 50 11.266 10.283 -10.888 1.00 2.33 H new ATOM 0 HE2 LYS A 50 9.375 11.871 -10.860 1.00 55.13 H new ATOM 0 HE3 LYS A 50 9.342 10.840 -9.444 1.00 55.13 H new ATOM 0 HZ1 LYS A 50 8.899 13.173 -8.925 1.00 42.11 H new ATOM 0 HZ2 LYS A 50 10.289 12.610 -8.128 1.00 42.11 H new ATOM 0 HZ3 LYS A 50 10.439 13.606 -9.494 1.00 42.11 H new ATOM 821 N GLN A 51 11.168 10.443 -4.988 1.00 45.43 N ATOM 822 CA GLN A 51 11.010 11.417 -3.888 1.00 50.11 C ATOM 823 C GLN A 51 11.457 10.794 -2.545 1.00 22.24 C ATOM 824 O GLN A 51 10.630 10.347 -1.730 1.00 22.01 O ATOM 825 CB GLN A 51 9.540 11.926 -3.815 1.00 42.10 C ATOM 826 CG GLN A 51 9.298 13.061 -2.782 1.00 31.34 C ATOM 827 CD GLN A 51 7.826 13.468 -2.591 1.00 33.42 C ATOM 828 OE1 GLN A 51 7.525 14.633 -2.322 1.00 62.51 O ATOM 829 NE2 GLN A 51 6.901 12.520 -2.687 1.00 52.12 N ATOM 0 H GLN A 51 10.383 9.799 -5.081 1.00 45.43 H new ATOM 0 HA GLN A 51 11.650 12.276 -4.088 1.00 50.11 H new ATOM 0 HB2 GLN A 51 9.243 12.282 -4.802 1.00 42.10 H new ATOM 0 HB3 GLN A 51 8.890 11.086 -3.570 1.00 42.10 H new ATOM 0 HG2 GLN A 51 9.699 12.746 -1.819 1.00 31.34 H new ATOM 0 HG3 GLN A 51 9.864 13.939 -3.091 1.00 31.34 H new ATOM 0 HE21 GLN A 51 7.173 11.563 -2.911 1.00 52.12 H new ATOM 0 HE22 GLN A 51 5.918 12.749 -2.537 1.00 52.12 H new ATOM 838 N GLY A 52 12.785 10.723 -2.347 1.00 75.42 N ATOM 839 CA GLY A 52 13.374 10.272 -1.082 1.00 53.00 C ATOM 840 C GLY A 52 13.358 11.394 -0.050 1.00 31.22 C ATOM 841 O GLY A 52 14.410 11.950 0.294 1.00 50.02 O ATOM 0 H GLY A 52 13.473 10.976 -3.056 1.00 75.42 H new ATOM 0 HA2 GLY A 52 12.819 9.414 -0.702 1.00 53.00 H new ATOM 0 HA3 GLY A 52 14.399 9.940 -1.250 1.00 53.00 H new ATOM 845 N CYS A 53 12.144 11.719 0.430 1.00 53.40 N ATOM 846 CA CYS A 53 11.882 12.905 1.258 1.00 14.54 C ATOM 847 C CYS A 53 12.482 12.759 2.683 1.00 2.40 C ATOM 848 O CYS A 53 13.620 13.183 2.925 1.00 35.12 O ATOM 849 CB CYS A 53 10.357 13.166 1.272 1.00 54.15 C ATOM 850 SG CYS A 53 9.375 11.741 1.799 1.00 63.12 S ATOM 0 H CYS A 53 11.311 11.159 0.251 1.00 53.40 H new ATOM 0 HA CYS A 53 12.381 13.773 0.827 1.00 14.54 H new ATOM 0 HB2 CYS A 53 10.148 14.005 1.936 1.00 54.15 H new ATOM 0 HB3 CYS A 53 10.040 13.464 0.273 1.00 54.15 H new ATOM 0 HG CYS A 53 8.732 11.256 0.779 1.00 63.12 H new ATOM 856 N LYS A 54 11.727 12.140 3.614 1.00 12.32 N ATOM 857 CA LYS A 54 12.155 11.895 5.009 1.00 13.45 C ATOM 858 C LYS A 54 11.548 10.565 5.473 1.00 64.44 C ATOM 859 O LYS A 54 12.263 9.618 5.808 1.00 21.51 O ATOM 860 CB LYS A 54 11.713 13.052 5.964 1.00 21.55 C ATOM 861 CG LYS A 54 12.471 14.390 5.790 1.00 0.53 C ATOM 862 CD LYS A 54 14.000 14.293 6.072 1.00 5.35 C ATOM 863 CE LYS A 54 14.364 13.962 7.543 1.00 54.13 C ATOM 864 NZ LYS A 54 14.133 12.532 7.915 1.00 34.13 N ATOM 0 H LYS A 54 10.789 11.791 3.416 1.00 12.32 H new ATOM 0 HA LYS A 54 13.244 11.852 5.042 1.00 13.45 H new ATOM 0 HB2 LYS A 54 10.649 13.236 5.814 1.00 21.55 H new ATOM 0 HB3 LYS A 54 11.837 12.716 6.994 1.00 21.55 H new ATOM 0 HG2 LYS A 54 12.322 14.751 4.772 1.00 0.53 H new ATOM 0 HG3 LYS A 54 12.035 15.132 6.458 1.00 0.53 H new ATOM 0 HD2 LYS A 54 14.428 13.528 5.424 1.00 5.35 H new ATOM 0 HD3 LYS A 54 14.467 15.239 5.800 1.00 5.35 H new ATOM 0 HE2 LYS A 54 15.413 14.207 7.712 1.00 54.13 H new ATOM 0 HE3 LYS A 54 13.777 14.599 8.205 1.00 54.13 H new ATOM 0 HZ1 LYS A 54 13.298 12.464 8.531 1.00 34.13 H new ATOM 0 HZ2 LYS A 54 13.975 11.970 7.054 1.00 34.13 H new ATOM 0 HZ3 LYS A 54 14.965 12.166 8.419 1.00 34.13 H new ATOM 878 N ARG A 55 10.204 10.512 5.481 1.00 2.43 N ATOM 879 CA ARG A 55 9.445 9.299 5.802 1.00 53.45 C ATOM 880 C ARG A 55 8.267 9.169 4.824 1.00 41.21 C ATOM 881 O ARG A 55 7.485 10.112 4.648 1.00 25.43 O ATOM 882 CB ARG A 55 8.932 9.314 7.276 1.00 64.15 C ATOM 883 CG ARG A 55 8.161 8.039 7.703 1.00 71.52 C ATOM 884 CD ARG A 55 9.039 6.773 7.700 1.00 4.31 C ATOM 885 NE ARG A 55 10.081 6.832 8.737 1.00 63.03 N ATOM 886 CZ ARG A 55 11.276 6.215 8.696 1.00 44.24 C ATOM 887 NH1 ARG A 55 11.631 5.465 7.651 1.00 20.31 N ATOM 888 NH2 ARG A 55 12.114 6.346 9.718 1.00 10.32 N ATOM 0 H ARG A 55 9.615 11.316 5.263 1.00 2.43 H new ATOM 0 HA ARG A 55 10.106 8.438 5.700 1.00 53.45 H new ATOM 0 HB2 ARG A 55 9.784 9.448 7.942 1.00 64.15 H new ATOM 0 HB3 ARG A 55 8.282 10.179 7.412 1.00 64.15 H new ATOM 0 HG2 ARG A 55 7.751 8.187 8.702 1.00 71.52 H new ATOM 0 HG3 ARG A 55 7.316 7.890 7.030 1.00 71.52 H new ATOM 0 HD2 ARG A 55 8.413 5.895 7.862 1.00 4.31 H new ATOM 0 HD3 ARG A 55 9.505 6.656 6.722 1.00 4.31 H new ATOM 0 HE ARG A 55 9.879 7.393 9.564 1.00 63.03 H new ATOM 0 HH11 ARG A 55 10.992 5.351 6.864 1.00 20.31 H new ATOM 0 HH12 ARG A 55 12.542 5.005 7.639 1.00 20.31 H new ATOM 0 HH21 ARG A 55 11.850 6.911 10.525 1.00 10.32 H new ATOM 0 HH22 ARG A 55 13.022 5.882 9.696 1.00 10.32 H new ATOM 902 N SER A 56 8.187 8.003 4.170 1.00 44.11 N ATOM 903 CA SER A 56 7.070 7.620 3.310 1.00 21.32 C ATOM 904 C SER A 56 6.107 6.745 4.123 1.00 4.42 C ATOM 905 O SER A 56 6.550 5.856 4.868 1.00 51.22 O ATOM 906 CB SER A 56 7.617 6.864 2.083 1.00 5.03 C ATOM 907 OG SER A 56 8.572 7.659 1.395 1.00 21.40 O ATOM 0 H SER A 56 8.913 7.289 4.228 1.00 44.11 H new ATOM 0 HA SER A 56 6.529 8.498 2.955 1.00 21.32 H new ATOM 0 HB2 SER A 56 8.075 5.927 2.400 1.00 5.03 H new ATOM 0 HB3 SER A 56 6.798 6.607 1.412 1.00 5.03 H new ATOM 0 HG SER A 56 8.135 8.462 1.042 1.00 21.40 H new ATOM 913 N ARG A 57 4.803 6.995 3.984 1.00 74.13 N ATOM 914 CA ARG A 57 3.771 6.306 4.771 1.00 51.50 C ATOM 915 C ARG A 57 2.651 5.868 3.815 1.00 21.10 C ATOM 916 O ARG A 57 1.908 6.715 3.333 1.00 10.20 O ATOM 917 CB ARG A 57 3.218 7.287 5.855 1.00 12.01 C ATOM 918 CG ARG A 57 2.464 6.604 7.011 1.00 70.12 C ATOM 919 CD ARG A 57 1.600 7.575 7.852 1.00 23.25 C ATOM 920 NE ARG A 57 2.214 8.899 8.070 1.00 72.22 N ATOM 921 CZ ARG A 57 3.109 9.211 9.020 1.00 52.32 C ATOM 922 NH1 ARG A 57 3.562 8.314 9.902 1.00 63.44 N ATOM 923 NH2 ARG A 57 3.549 10.455 9.094 1.00 15.10 N ATOM 0 H ARG A 57 4.431 7.679 3.325 1.00 74.13 H new ATOM 0 HA ARG A 57 4.182 5.430 5.272 1.00 51.50 H new ATOM 0 HB2 ARG A 57 4.050 7.858 6.268 1.00 12.01 H new ATOM 0 HB3 ARG A 57 2.549 8.001 5.374 1.00 12.01 H new ATOM 0 HG2 ARG A 57 1.823 5.822 6.603 1.00 70.12 H new ATOM 0 HG3 ARG A 57 3.186 6.115 7.665 1.00 70.12 H new ATOM 0 HD2 ARG A 57 0.639 7.710 7.356 1.00 23.25 H new ATOM 0 HD3 ARG A 57 1.398 7.117 8.820 1.00 23.25 H new ATOM 0 HE ARG A 57 1.931 9.648 7.438 1.00 72.22 H new ATOM 0 HH11 ARG A 57 3.227 7.351 9.868 1.00 63.44 H new ATOM 0 HH12 ARG A 57 4.243 8.593 10.609 1.00 63.44 H new ATOM 0 HH21 ARG A 57 3.208 11.156 8.437 1.00 15.10 H new ATOM 0 HH22 ARG A 57 4.229 10.714 9.809 1.00 15.10 H new ATOM 937 N THR A 58 2.534 4.558 3.524 1.00 14.14 N ATOM 938 CA THR A 58 1.527 4.044 2.574 1.00 13.03 C ATOM 939 C THR A 58 0.420 3.321 3.340 1.00 22.30 C ATOM 940 O THR A 58 0.695 2.491 4.216 1.00 20.30 O ATOM 941 CB THR A 58 2.149 3.092 1.507 1.00 31.33 C ATOM 942 OG1 THR A 58 3.257 3.746 0.874 1.00 70.13 O ATOM 943 CG2 THR A 58 1.134 2.688 0.425 1.00 33.22 C ATOM 0 H THR A 58 3.125 3.835 3.934 1.00 14.14 H new ATOM 0 HA THR A 58 1.113 4.899 2.039 1.00 13.03 H new ATOM 0 HB THR A 58 2.471 2.189 2.025 1.00 31.33 H new ATOM 0 HG1 THR A 58 4.030 3.738 1.477 1.00 70.13 H new ATOM 0 HG21 THR A 58 1.614 2.025 -0.295 1.00 33.22 H new ATOM 0 HG22 THR A 58 0.293 2.172 0.889 1.00 33.22 H new ATOM 0 HG23 THR A 58 0.774 3.580 -0.087 1.00 33.22 H new ATOM 951 N SER A 59 -0.819 3.633 2.970 1.00 50.51 N ATOM 952 CA SER A 59 -2.023 3.207 3.673 1.00 41.12 C ATOM 953 C SER A 59 -3.017 2.610 2.662 1.00 11.01 C ATOM 954 O SER A 59 -3.395 3.273 1.701 1.00 64.22 O ATOM 955 CB SER A 59 -2.625 4.440 4.391 1.00 34.11 C ATOM 956 OG SER A 59 -1.678 5.045 5.259 1.00 55.20 O ATOM 0 H SER A 59 -1.017 4.205 2.149 1.00 50.51 H new ATOM 0 HA SER A 59 -1.794 2.440 4.413 1.00 41.12 H new ATOM 0 HB2 SER A 59 -2.960 5.167 3.651 1.00 34.11 H new ATOM 0 HB3 SER A 59 -3.504 4.138 4.961 1.00 34.11 H new ATOM 0 HG SER A 59 -2.085 5.821 5.697 1.00 55.20 H new ATOM 962 N ILE A 60 -3.411 1.348 2.872 1.00 21.42 N ATOM 963 CA ILE A 60 -4.399 0.638 2.028 1.00 53.12 C ATOM 964 C ILE A 60 -5.596 0.226 2.905 1.00 63.33 C ATOM 965 O ILE A 60 -5.390 -0.389 3.958 1.00 73.32 O ATOM 966 CB ILE A 60 -3.771 -0.648 1.371 1.00 40.15 C ATOM 967 CG1 ILE A 60 -2.578 -0.293 0.437 1.00 71.43 C ATOM 968 CG2 ILE A 60 -4.831 -1.457 0.600 1.00 25.42 C ATOM 969 CD1 ILE A 60 -1.956 -1.496 -0.242 1.00 64.25 C ATOM 0 H ILE A 60 -3.053 0.779 3.639 1.00 21.42 H new ATOM 0 HA ILE A 60 -4.718 1.307 1.229 1.00 53.12 H new ATOM 0 HB ILE A 60 -3.390 -1.266 2.184 1.00 40.15 H new ATOM 0 HG12 ILE A 60 -2.921 0.406 -0.326 1.00 71.43 H new ATOM 0 HG13 ILE A 60 -1.813 0.220 1.019 1.00 71.43 H new ATOM 0 HG21 ILE A 60 -4.366 -2.338 0.158 1.00 25.42 H new ATOM 0 HG22 ILE A 60 -5.620 -1.768 1.284 1.00 25.42 H new ATOM 0 HG23 ILE A 60 -5.258 -0.838 -0.189 1.00 25.42 H new ATOM 0 HD11 ILE A 60 -1.132 -1.170 -0.876 1.00 64.25 H new ATOM 0 HD12 ILE A 60 -1.581 -2.187 0.513 1.00 64.25 H new ATOM 0 HD13 ILE A 60 -2.707 -1.998 -0.852 1.00 64.25 H new ATOM 981 N THR A 61 -6.830 0.559 2.476 1.00 43.54 N ATOM 982 CA THR A 61 -8.044 0.243 3.238 1.00 21.23 C ATOM 983 C THR A 61 -8.273 -1.283 3.305 1.00 42.02 C ATOM 984 O THR A 61 -8.496 -1.938 2.280 1.00 61.51 O ATOM 985 CB THR A 61 -9.292 0.958 2.637 1.00 20.21 C ATOM 986 OG1 THR A 61 -9.061 2.373 2.600 1.00 2.42 O ATOM 987 CG2 THR A 61 -10.567 0.683 3.454 1.00 73.22 C ATOM 0 H THR A 61 -7.007 1.050 1.600 1.00 43.54 H new ATOM 0 HA THR A 61 -7.901 0.613 4.253 1.00 21.23 H new ATOM 0 HB THR A 61 -9.442 0.564 1.632 1.00 20.21 H new ATOM 0 HG1 THR A 61 -8.346 2.571 1.960 1.00 2.42 H new ATOM 0 HG21 THR A 61 -11.410 1.201 2.998 1.00 73.22 H new ATOM 0 HG22 THR A 61 -10.765 -0.389 3.469 1.00 73.22 H new ATOM 0 HG23 THR A 61 -10.430 1.041 4.474 1.00 73.22 H new ATOM 995 N ALA A 62 -8.183 -1.819 4.524 1.00 13.44 N ATOM 996 CA ALA A 62 -8.323 -3.239 4.813 1.00 71.14 C ATOM 997 C ALA A 62 -9.037 -3.364 6.157 1.00 71.21 C ATOM 998 O ALA A 62 -8.506 -2.935 7.184 1.00 71.24 O ATOM 999 CB ALA A 62 -6.943 -3.904 4.847 1.00 24.44 C ATOM 0 H ALA A 62 -8.006 -1.258 5.357 1.00 13.44 H new ATOM 0 HA ALA A 62 -8.904 -3.743 4.041 1.00 71.14 H new ATOM 0 HB1 ALA A 62 -7.056 -4.966 5.064 1.00 24.44 H new ATOM 0 HB2 ALA A 62 -6.456 -3.781 3.880 1.00 24.44 H new ATOM 0 HB3 ALA A 62 -6.334 -3.439 5.622 1.00 24.44 H new ATOM 1005 N ARG A 63 -10.247 -3.919 6.126 1.00 61.55 N ATOM 1006 CA ARG A 63 -11.153 -3.995 7.295 1.00 3.34 C ATOM 1007 C ARG A 63 -11.178 -5.428 7.841 1.00 33.20 C ATOM 1008 O ARG A 63 -11.387 -5.633 9.039 1.00 34.35 O ATOM 1009 CB ARG A 63 -12.603 -3.488 6.941 1.00 25.31 C ATOM 1010 CG ARG A 63 -13.045 -3.717 5.470 1.00 64.51 C ATOM 1011 CD ARG A 63 -12.535 -2.609 4.499 1.00 43.22 C ATOM 1012 NE ARG A 63 -12.269 -3.123 3.139 1.00 32.24 N ATOM 1013 CZ ARG A 63 -12.435 -2.435 1.995 1.00 65.50 C ATOM 1014 NH1 ARG A 63 -12.896 -1.190 2.017 1.00 71.31 N ATOM 1015 NH2 ARG A 63 -12.078 -2.983 0.841 1.00 55.13 N ATOM 0 H ARG A 63 -10.641 -4.337 5.283 1.00 61.55 H new ATOM 0 HA ARG A 63 -10.770 -3.333 8.071 1.00 3.34 H new ATOM 0 HB2 ARG A 63 -13.315 -3.986 7.599 1.00 25.31 H new ATOM 0 HB3 ARG A 63 -12.660 -2.421 7.159 1.00 25.31 H new ATOM 0 HG2 ARG A 63 -12.676 -4.686 5.133 1.00 64.51 H new ATOM 0 HG3 ARG A 63 -14.133 -3.758 5.426 1.00 64.51 H new ATOM 0 HD2 ARG A 63 -13.275 -1.811 4.443 1.00 43.22 H new ATOM 0 HD3 ARG A 63 -11.623 -2.170 4.902 1.00 43.22 H new ATOM 0 HE ARG A 63 -11.930 -4.082 3.061 1.00 32.24 H new ATOM 0 HH11 ARG A 63 -13.127 -0.748 2.906 1.00 71.31 H new ATOM 0 HH12 ARG A 63 -13.019 -0.676 1.145 1.00 71.31 H new ATOM 0 HH21 ARG A 63 -11.680 -3.922 0.824 1.00 55.13 H new ATOM 0 HH22 ARG A 63 -12.202 -2.466 -0.029 1.00 55.13 H new ATOM 1029 N THR A 64 -10.968 -6.420 6.957 1.00 4.41 N ATOM 1030 CA THR A 64 -10.890 -7.837 7.350 1.00 22.32 C ATOM 1031 C THR A 64 -9.411 -8.272 7.418 1.00 2.31 C ATOM 1032 O THR A 64 -8.550 -7.642 6.785 1.00 1.22 O ATOM 1033 CB THR A 64 -11.677 -8.745 6.354 1.00 70.11 C ATOM 1034 OG1 THR A 64 -11.002 -8.818 5.088 1.00 34.03 O ATOM 1035 CG2 THR A 64 -13.120 -8.238 6.133 1.00 54.41 C ATOM 0 H THR A 64 -10.848 -6.263 5.956 1.00 4.41 H new ATOM 0 HA THR A 64 -11.348 -7.950 8.333 1.00 22.32 H new ATOM 0 HB THR A 64 -11.724 -9.738 6.800 1.00 70.11 H new ATOM 0 HG1 THR A 64 -11.511 -9.393 4.479 1.00 34.03 H new ATOM 0 HG21 THR A 64 -13.634 -8.897 5.434 1.00 54.41 H new ATOM 0 HG22 THR A 64 -13.653 -8.231 7.084 1.00 54.41 H new ATOM 0 HG23 THR A 64 -13.092 -7.227 5.726 1.00 54.41 H new ATOM 1043 N LYS A 65 -9.133 -9.367 8.160 1.00 53.43 N ATOM 1044 CA LYS A 65 -7.761 -9.866 8.395 1.00 1.02 C ATOM 1045 C LYS A 65 -7.104 -10.368 7.097 1.00 14.23 C ATOM 1046 O LYS A 65 -5.901 -10.216 6.921 1.00 20.41 O ATOM 1047 CB LYS A 65 -7.765 -10.991 9.466 1.00 30.14 C ATOM 1048 CG LYS A 65 -8.617 -12.235 9.105 1.00 15.24 C ATOM 1049 CD LYS A 65 -8.451 -13.395 10.114 1.00 62.34 C ATOM 1050 CE LYS A 65 -8.832 -13.014 11.551 1.00 63.31 C ATOM 1051 NZ LYS A 65 -8.680 -14.161 12.488 1.00 22.44 N ATOM 0 H LYS A 65 -9.854 -9.929 8.612 1.00 53.43 H new ATOM 0 HA LYS A 65 -7.169 -9.028 8.763 1.00 1.02 H new ATOM 0 HB2 LYS A 65 -6.737 -11.311 9.639 1.00 30.14 H new ATOM 0 HB3 LYS A 65 -8.133 -10.577 10.405 1.00 30.14 H new ATOM 0 HG2 LYS A 65 -9.668 -11.948 9.059 1.00 15.24 H new ATOM 0 HG3 LYS A 65 -8.338 -12.583 8.110 1.00 15.24 H new ATOM 0 HD2 LYS A 65 -9.067 -14.236 9.794 1.00 62.34 H new ATOM 0 HD3 LYS A 65 -7.415 -13.734 10.099 1.00 62.34 H new ATOM 0 HE2 LYS A 65 -8.206 -12.187 11.885 1.00 63.31 H new ATOM 0 HE3 LYS A 65 -9.863 -12.662 11.572 1.00 63.31 H new ATOM 0 HZ1 LYS A 65 -8.947 -13.863 13.448 1.00 22.44 H new ATOM 0 HZ2 LYS A 65 -9.296 -14.942 12.184 1.00 22.44 H new ATOM 0 HZ3 LYS A 65 -7.690 -14.481 12.488 1.00 22.44 H new ATOM 1065 N LYS A 66 -7.917 -10.934 6.184 1.00 74.44 N ATOM 1066 CA LYS A 66 -7.424 -11.489 4.903 1.00 54.11 C ATOM 1067 C LYS A 66 -6.836 -10.363 4.032 1.00 61.33 C ATOM 1068 O LYS A 66 -5.707 -10.477 3.531 1.00 32.45 O ATOM 1069 CB LYS A 66 -8.580 -12.206 4.154 1.00 53.33 C ATOM 1070 CG LYS A 66 -9.261 -13.329 4.965 1.00 13.25 C ATOM 1071 CD LYS A 66 -8.331 -14.531 5.265 1.00 75.42 C ATOM 1072 CE LYS A 66 -9.046 -15.630 6.064 1.00 5.43 C ATOM 1073 NZ LYS A 66 -8.195 -16.833 6.255 1.00 62.33 N ATOM 0 H LYS A 66 -8.926 -11.020 6.309 1.00 74.44 H new ATOM 0 HA LYS A 66 -6.639 -12.216 5.109 1.00 54.11 H new ATOM 0 HB2 LYS A 66 -9.332 -11.467 3.877 1.00 53.33 H new ATOM 0 HB3 LYS A 66 -8.191 -12.628 3.227 1.00 53.33 H new ATOM 0 HG2 LYS A 66 -9.623 -12.917 5.907 1.00 13.25 H new ATOM 0 HG3 LYS A 66 -10.133 -13.684 4.416 1.00 13.25 H new ATOM 0 HD2 LYS A 66 -7.963 -14.947 4.327 1.00 75.42 H new ATOM 0 HD3 LYS A 66 -7.461 -14.185 5.824 1.00 75.42 H new ATOM 0 HE2 LYS A 66 -9.338 -15.236 7.037 1.00 5.43 H new ATOM 0 HE3 LYS A 66 -9.962 -15.914 5.547 1.00 5.43 H new ATOM 0 HZ1 LYS A 66 -8.720 -17.547 6.799 1.00 62.33 H new ATOM 0 HZ2 LYS A 66 -7.936 -17.226 5.328 1.00 62.33 H new ATOM 0 HZ3 LYS A 66 -7.332 -16.569 6.772 1.00 62.33 H new ATOM 1087 N GLU A 67 -7.619 -9.266 3.919 1.00 61.54 N ATOM 1088 CA GLU A 67 -7.202 -8.017 3.253 1.00 65.41 C ATOM 1089 C GLU A 67 -5.930 -7.463 3.899 1.00 3.23 C ATOM 1090 O GLU A 67 -4.971 -7.118 3.206 1.00 30.11 O ATOM 1091 CB GLU A 67 -8.321 -6.952 3.350 1.00 44.32 C ATOM 1092 CG GLU A 67 -9.622 -7.312 2.634 1.00 55.43 C ATOM 1093 CD GLU A 67 -10.658 -6.190 2.744 1.00 52.21 C ATOM 1094 OE1 GLU A 67 -11.264 -6.034 3.827 1.00 21.11 O ATOM 1095 OE2 GLU A 67 -10.856 -5.441 1.762 1.00 42.12 O ATOM 0 H GLU A 67 -8.567 -9.226 4.292 1.00 61.54 H new ATOM 0 HA GLU A 67 -7.007 -8.245 2.205 1.00 65.41 H new ATOM 0 HB2 GLU A 67 -8.541 -6.773 4.403 1.00 44.32 H new ATOM 0 HB3 GLU A 67 -7.946 -6.015 2.939 1.00 44.32 H new ATOM 0 HG2 GLU A 67 -9.415 -7.515 1.583 1.00 55.43 H new ATOM 0 HG3 GLU A 67 -10.031 -8.228 3.061 1.00 55.43 H new ATOM 1102 N ALA A 68 -5.942 -7.440 5.242 1.00 14.03 N ATOM 1103 CA ALA A 68 -4.858 -6.884 6.060 1.00 22.12 C ATOM 1104 C ALA A 68 -3.515 -7.563 5.774 1.00 63.24 C ATOM 1105 O ALA A 68 -2.491 -6.892 5.653 1.00 54.04 O ATOM 1106 CB ALA A 68 -5.216 -7.002 7.551 1.00 25.14 C ATOM 0 H ALA A 68 -6.715 -7.812 5.794 1.00 14.03 H new ATOM 0 HA ALA A 68 -4.747 -5.832 5.796 1.00 22.12 H new ATOM 0 HB1 ALA A 68 -4.407 -6.588 8.153 1.00 25.14 H new ATOM 0 HB2 ALA A 68 -6.135 -6.451 7.749 1.00 25.14 H new ATOM 0 HB3 ALA A 68 -5.359 -8.051 7.809 1.00 25.14 H new ATOM 1112 N GLU A 69 -3.554 -8.890 5.635 1.00 12.14 N ATOM 1113 CA GLU A 69 -2.361 -9.714 5.422 1.00 32.31 C ATOM 1114 C GLU A 69 -1.784 -9.539 4.003 1.00 22.31 C ATOM 1115 O GLU A 69 -0.585 -9.275 3.843 1.00 61.41 O ATOM 1116 CB GLU A 69 -2.701 -11.201 5.707 1.00 12.23 C ATOM 1117 CG GLU A 69 -3.046 -11.512 7.184 1.00 23.25 C ATOM 1118 CD GLU A 69 -1.974 -11.043 8.183 1.00 24.51 C ATOM 1119 OE1 GLU A 69 -0.931 -11.723 8.310 1.00 43.53 O ATOM 1120 OE2 GLU A 69 -2.164 -9.990 8.833 1.00 23.20 O ATOM 0 H GLU A 69 -4.420 -9.427 5.667 1.00 12.14 H new ATOM 0 HA GLU A 69 -1.588 -9.383 6.116 1.00 32.31 H new ATOM 0 HB2 GLU A 69 -3.544 -11.494 5.081 1.00 12.23 H new ATOM 0 HB3 GLU A 69 -1.853 -11.818 5.408 1.00 12.23 H new ATOM 0 HG2 GLU A 69 -3.995 -11.037 7.434 1.00 23.25 H new ATOM 0 HG3 GLU A 69 -3.188 -12.587 7.296 1.00 23.25 H new ATOM 1127 N LYS A 70 -2.647 -9.675 2.978 1.00 73.45 N ATOM 1128 CA LYS A 70 -2.200 -9.706 1.567 1.00 52.43 C ATOM 1129 C LYS A 70 -1.793 -8.312 1.030 1.00 4.21 C ATOM 1130 O LYS A 70 -0.813 -8.202 0.280 1.00 23.45 O ATOM 1131 CB LYS A 70 -3.286 -10.342 0.662 1.00 54.25 C ATOM 1132 CG LYS A 70 -4.646 -9.606 0.637 1.00 70.01 C ATOM 1133 CD LYS A 70 -5.672 -10.249 -0.322 1.00 30.22 C ATOM 1134 CE LYS A 70 -5.221 -10.208 -1.794 1.00 54.23 C ATOM 1135 NZ LYS A 70 -6.216 -10.855 -2.689 1.00 54.12 N ATOM 0 H LYS A 70 -3.656 -9.765 3.097 1.00 73.45 H new ATOM 0 HA LYS A 70 -1.303 -10.325 1.540 1.00 52.43 H new ATOM 0 HB2 LYS A 70 -2.901 -10.393 -0.357 1.00 54.25 H new ATOM 0 HB3 LYS A 70 -3.454 -11.368 0.991 1.00 54.25 H new ATOM 0 HG2 LYS A 70 -5.061 -9.590 1.645 1.00 70.01 H new ATOM 0 HG3 LYS A 70 -4.485 -8.569 0.343 1.00 70.01 H new ATOM 0 HD2 LYS A 70 -5.839 -11.285 -0.027 1.00 30.22 H new ATOM 0 HD3 LYS A 70 -6.627 -9.732 -0.225 1.00 30.22 H new ATOM 0 HE2 LYS A 70 -5.073 -9.173 -2.101 1.00 54.23 H new ATOM 0 HE3 LYS A 70 -4.259 -10.711 -1.895 1.00 54.23 H new ATOM 0 HZ1 LYS A 70 -6.137 -10.452 -3.644 1.00 54.12 H new ATOM 0 HZ2 LYS A 70 -6.034 -11.878 -2.729 1.00 54.12 H new ATOM 0 HZ3 LYS A 70 -7.174 -10.688 -2.321 1.00 54.12 H new ATOM 1149 N PHE A 71 -2.546 -7.258 1.418 1.00 44.14 N ATOM 1150 CA PHE A 71 -2.288 -5.867 0.960 1.00 72.31 C ATOM 1151 C PHE A 71 -0.977 -5.341 1.568 1.00 31.21 C ATOM 1152 O PHE A 71 -0.182 -4.672 0.886 1.00 62.11 O ATOM 1153 CB PHE A 71 -3.470 -4.915 1.320 1.00 10.32 C ATOM 1154 CG PHE A 71 -4.846 -5.258 0.700 1.00 50.43 C ATOM 1155 CD1 PHE A 71 -4.989 -6.196 -0.330 1.00 33.05 C ATOM 1156 CD2 PHE A 71 -6.005 -4.622 1.159 1.00 22.35 C ATOM 1157 CE1 PHE A 71 -6.236 -6.481 -0.870 1.00 71.14 C ATOM 1158 CE2 PHE A 71 -7.245 -4.908 0.615 1.00 14.14 C ATOM 1159 CZ PHE A 71 -7.360 -5.838 -0.398 1.00 41.53 C ATOM 0 H PHE A 71 -3.342 -7.342 2.050 1.00 44.14 H new ATOM 0 HA PHE A 71 -2.196 -5.887 -0.126 1.00 72.31 H new ATOM 0 HB2 PHE A 71 -3.578 -4.901 2.404 1.00 10.32 H new ATOM 0 HB3 PHE A 71 -3.200 -3.905 1.013 1.00 10.32 H new ATOM 0 HD1 PHE A 71 -4.116 -6.706 -0.710 1.00 33.05 H new ATOM 0 HD2 PHE A 71 -5.930 -3.894 1.953 1.00 22.35 H new ATOM 0 HE1 PHE A 71 -6.326 -7.209 -1.663 1.00 71.14 H new ATOM 0 HE2 PHE A 71 -8.125 -4.402 0.984 1.00 14.14 H new ATOM 0 HZ PHE A 71 -8.329 -6.062 -0.820 1.00 41.53 H new ATOM 1169 N ALA A 72 -0.772 -5.670 2.858 1.00 40.12 N ATOM 1170 CA ALA A 72 0.462 -5.362 3.591 1.00 75.53 C ATOM 1171 C ALA A 72 1.668 -6.057 2.960 1.00 12.31 C ATOM 1172 O ALA A 72 2.728 -5.454 2.824 1.00 72.13 O ATOM 1173 CB ALA A 72 0.334 -5.790 5.048 1.00 72.15 C ATOM 0 H ALA A 72 -1.466 -6.161 3.421 1.00 40.12 H new ATOM 0 HA ALA A 72 0.616 -4.284 3.541 1.00 75.53 H new ATOM 0 HB1 ALA A 72 1.257 -5.555 5.579 1.00 72.15 H new ATOM 0 HB2 ALA A 72 -0.497 -5.258 5.512 1.00 72.15 H new ATOM 0 HB3 ALA A 72 0.150 -6.863 5.097 1.00 72.15 H new ATOM 1179 N ALA A 73 1.467 -7.333 2.562 1.00 14.44 N ATOM 1180 CA ALA A 73 2.509 -8.163 1.935 1.00 41.35 C ATOM 1181 C ALA A 73 3.100 -7.470 0.689 1.00 13.22 C ATOM 1182 O ALA A 73 4.324 -7.335 0.570 1.00 64.21 O ATOM 1183 CB ALA A 73 1.939 -9.543 1.580 1.00 61.31 C ATOM 0 H ALA A 73 0.574 -7.814 2.669 1.00 14.44 H new ATOM 0 HA ALA A 73 3.321 -8.295 2.650 1.00 41.35 H new ATOM 0 HB1 ALA A 73 2.717 -10.150 1.117 1.00 61.31 H new ATOM 0 HB2 ALA A 73 1.586 -10.035 2.486 1.00 61.31 H new ATOM 0 HB3 ALA A 73 1.108 -9.425 0.884 1.00 61.31 H new ATOM 1189 N ILE A 74 2.200 -6.952 -0.181 1.00 62.31 N ATOM 1190 CA ILE A 74 2.590 -6.215 -1.403 1.00 30.33 C ATOM 1191 C ILE A 74 3.416 -4.957 -1.028 1.00 63.12 C ATOM 1192 O ILE A 74 4.377 -4.620 -1.706 1.00 70.13 O ATOM 1193 CB ILE A 74 1.343 -5.771 -2.271 1.00 21.52 C ATOM 1194 CG1 ILE A 74 0.347 -6.952 -2.508 1.00 44.24 C ATOM 1195 CG2 ILE A 74 1.808 -5.181 -3.632 1.00 72.42 C ATOM 1196 CD1 ILE A 74 -0.944 -6.556 -3.220 1.00 70.21 C ATOM 0 H ILE A 74 1.191 -7.033 -0.055 1.00 62.31 H new ATOM 0 HA ILE A 74 3.189 -6.900 -2.003 1.00 30.33 H new ATOM 0 HB ILE A 74 0.815 -5.000 -1.709 1.00 21.52 H new ATOM 0 HG12 ILE A 74 0.849 -7.722 -3.094 1.00 44.24 H new ATOM 0 HG13 ILE A 74 0.095 -7.397 -1.545 1.00 44.24 H new ATOM 0 HG21 ILE A 74 0.937 -4.881 -4.215 1.00 72.42 H new ATOM 0 HG22 ILE A 74 2.442 -4.313 -3.454 1.00 72.42 H new ATOM 0 HG23 ILE A 74 2.371 -5.935 -4.182 1.00 72.42 H new ATOM 0 HD11 ILE A 74 -1.576 -7.435 -3.343 1.00 70.21 H new ATOM 0 HD12 ILE A 74 -1.472 -5.810 -2.627 1.00 70.21 H new ATOM 0 HD13 ILE A 74 -0.707 -6.140 -4.199 1.00 70.21 H new ATOM 1208 N LEU A 75 3.036 -4.304 0.093 1.00 54.41 N ATOM 1209 CA LEU A 75 3.717 -3.089 0.593 1.00 52.14 C ATOM 1210 C LEU A 75 5.098 -3.390 1.207 1.00 74.03 C ATOM 1211 O LEU A 75 5.955 -2.509 1.236 1.00 60.20 O ATOM 1212 CB LEU A 75 2.832 -2.335 1.614 1.00 13.41 C ATOM 1213 CG LEU A 75 1.505 -1.727 1.075 1.00 41.54 C ATOM 1214 CD1 LEU A 75 0.761 -0.944 2.191 1.00 13.43 C ATOM 1215 CD2 LEU A 75 1.768 -0.846 -0.170 1.00 51.31 C ATOM 0 H LEU A 75 2.253 -4.603 0.674 1.00 54.41 H new ATOM 0 HA LEU A 75 3.881 -2.451 -0.276 1.00 52.14 H new ATOM 0 HB2 LEU A 75 2.587 -3.022 2.424 1.00 13.41 H new ATOM 0 HB3 LEU A 75 3.424 -1.529 2.047 1.00 13.41 H new ATOM 0 HG LEU A 75 0.854 -2.544 0.763 1.00 41.54 H new ATOM 0 HD11 LEU A 75 -0.163 -0.529 1.790 1.00 13.43 H new ATOM 0 HD12 LEU A 75 0.528 -1.618 3.015 1.00 13.43 H new ATOM 0 HD13 LEU A 75 1.395 -0.135 2.553 1.00 13.43 H new ATOM 0 HD21 LEU A 75 0.826 -0.432 -0.529 1.00 51.31 H new ATOM 0 HD22 LEU A 75 2.444 -0.033 0.096 1.00 51.31 H new ATOM 0 HD23 LEU A 75 2.220 -1.452 -0.955 1.00 51.31 H new ATOM 1227 N ILE A 76 5.306 -4.627 1.706 1.00 13.33 N ATOM 1228 CA ILE A 76 6.640 -5.082 2.160 1.00 22.34 C ATOM 1229 C ILE A 76 7.559 -5.254 0.923 1.00 34.24 C ATOM 1230 O ILE A 76 8.739 -4.908 0.985 1.00 11.45 O ATOM 1231 CB ILE A 76 6.556 -6.404 3.059 1.00 3.52 C ATOM 1232 CG1 ILE A 76 6.311 -6.071 4.582 1.00 13.24 C ATOM 1233 CG2 ILE A 76 7.819 -7.305 2.925 1.00 12.22 C ATOM 1234 CD1 ILE A 76 5.052 -5.283 4.921 1.00 23.45 C ATOM 0 H ILE A 76 4.571 -5.327 1.805 1.00 13.33 H new ATOM 0 HA ILE A 76 7.074 -4.325 2.813 1.00 22.34 H new ATOM 0 HB ILE A 76 5.699 -6.958 2.675 1.00 3.52 H new ATOM 0 HG12 ILE A 76 6.282 -7.010 5.134 1.00 13.24 H new ATOM 0 HG13 ILE A 76 7.171 -5.511 4.950 1.00 13.24 H new ATOM 0 HG21 ILE A 76 7.706 -8.186 3.557 1.00 12.22 H new ATOM 0 HG22 ILE A 76 7.936 -7.615 1.887 1.00 12.22 H new ATOM 0 HG23 ILE A 76 8.700 -6.745 3.238 1.00 12.22 H new ATOM 0 HD11 ILE A 76 5.003 -5.121 5.998 1.00 23.45 H new ATOM 0 HD12 ILE A 76 5.077 -4.320 4.410 1.00 23.45 H new ATOM 0 HD13 ILE A 76 4.174 -5.843 4.598 1.00 23.45 H new ATOM 1246 N LYS A 77 6.987 -5.750 -0.208 1.00 31.44 N ATOM 1247 CA LYS A 77 7.711 -5.805 -1.509 1.00 51.22 C ATOM 1248 C LYS A 77 8.087 -4.368 -1.981 1.00 63.44 C ATOM 1249 O LYS A 77 9.265 -4.089 -2.257 1.00 15.21 O ATOM 1250 CB LYS A 77 6.869 -6.533 -2.618 1.00 64.40 C ATOM 1251 CG LYS A 77 6.939 -8.096 -2.676 1.00 74.12 C ATOM 1252 CD LYS A 77 6.093 -8.854 -1.615 1.00 73.43 C ATOM 1253 CE LYS A 77 6.802 -9.047 -0.264 1.00 63.14 C ATOM 1254 NZ LYS A 77 8.013 -9.893 -0.379 1.00 51.33 N ATOM 0 H LYS A 77 6.035 -6.115 -0.246 1.00 31.44 H new ATOM 0 HA LYS A 77 8.621 -6.383 -1.351 1.00 51.22 H new ATOM 0 HB2 LYS A 77 5.825 -6.249 -2.487 1.00 64.40 H new ATOM 0 HB3 LYS A 77 7.185 -6.147 -3.587 1.00 64.40 H new ATOM 0 HG2 LYS A 77 6.617 -8.418 -3.666 1.00 74.12 H new ATOM 0 HG3 LYS A 77 7.980 -8.398 -2.565 1.00 74.12 H new ATOM 0 HD2 LYS A 77 5.164 -8.308 -1.450 1.00 73.43 H new ATOM 0 HD3 LYS A 77 5.822 -9.832 -2.013 1.00 73.43 H new ATOM 0 HE2 LYS A 77 7.079 -8.073 0.141 1.00 63.14 H new ATOM 0 HE3 LYS A 77 6.110 -9.502 0.445 1.00 63.14 H new ATOM 0 HZ1 LYS A 77 8.290 -10.232 0.564 1.00 51.33 H new ATOM 0 HZ2 LYS A 77 7.811 -10.707 -0.994 1.00 51.33 H new ATOM 0 HZ3 LYS A 77 8.789 -9.335 -0.788 1.00 51.33 H new ATOM 1268 N VAL A 78 7.058 -3.479 -2.020 1.00 4.32 N ATOM 1269 CA VAL A 78 7.174 -2.062 -2.437 1.00 23.40 C ATOM 1270 C VAL A 78 8.303 -1.355 -1.666 1.00 44.11 C ATOM 1271 O VAL A 78 9.251 -0.843 -2.267 1.00 12.20 O ATOM 1272 CB VAL A 78 5.783 -1.310 -2.224 1.00 10.22 C ATOM 1273 CG1 VAL A 78 5.906 0.229 -2.313 1.00 43.33 C ATOM 1274 CG2 VAL A 78 4.724 -1.826 -3.231 1.00 25.22 C ATOM 0 H VAL A 78 6.107 -3.737 -1.756 1.00 4.32 H new ATOM 0 HA VAL A 78 7.425 -2.032 -3.497 1.00 23.40 H new ATOM 0 HB VAL A 78 5.459 -1.540 -1.209 1.00 10.22 H new ATOM 0 HG11 VAL A 78 4.926 0.682 -2.160 1.00 43.33 H new ATOM 0 HG12 VAL A 78 6.594 0.584 -1.546 1.00 43.33 H new ATOM 0 HG13 VAL A 78 6.284 0.507 -3.297 1.00 43.33 H new ATOM 0 HG21 VAL A 78 3.782 -1.301 -3.070 1.00 25.22 H new ATOM 0 HG22 VAL A 78 5.071 -1.645 -4.248 1.00 25.22 H new ATOM 0 HG23 VAL A 78 4.573 -2.895 -3.084 1.00 25.22 H new ATOM 1284 N TYR A 79 8.212 -1.425 -0.327 1.00 64.01 N ATOM 1285 CA TYR A 79 9.141 -0.748 0.598 1.00 63.53 C ATOM 1286 C TYR A 79 10.545 -1.364 0.584 1.00 72.04 C ATOM 1287 O TYR A 79 11.522 -0.657 0.836 1.00 50.45 O ATOM 1288 CB TYR A 79 8.557 -0.746 2.040 1.00 40.43 C ATOM 1289 CG TYR A 79 7.624 0.425 2.350 1.00 62.44 C ATOM 1290 CD1 TYR A 79 6.473 0.663 1.597 1.00 64.43 C ATOM 1291 CD2 TYR A 79 7.914 1.307 3.394 1.00 25.54 C ATOM 1292 CE1 TYR A 79 5.648 1.728 1.886 1.00 52.33 C ATOM 1293 CE2 TYR A 79 7.092 2.368 3.678 1.00 43.14 C ATOM 1294 CZ TYR A 79 5.965 2.575 2.922 1.00 31.11 C ATOM 1295 OH TYR A 79 5.153 3.641 3.202 1.00 41.42 O ATOM 0 H TYR A 79 7.485 -1.958 0.150 1.00 64.01 H new ATOM 0 HA TYR A 79 9.248 0.280 0.250 1.00 63.53 H new ATOM 0 HB2 TYR A 79 8.014 -1.678 2.199 1.00 40.43 H new ATOM 0 HB3 TYR A 79 9.383 -0.733 2.752 1.00 40.43 H new ATOM 0 HD1 TYR A 79 6.226 0.004 0.778 1.00 64.43 H new ATOM 0 HD2 TYR A 79 8.802 1.151 3.989 1.00 25.54 H new ATOM 0 HE1 TYR A 79 4.756 1.897 1.301 1.00 52.33 H new ATOM 0 HE2 TYR A 79 7.330 3.037 4.492 1.00 43.14 H new ATOM 0 HH TYR A 79 5.534 4.157 3.943 1.00 41.42 H new ATOM 1305 N ALA A 80 10.644 -2.675 0.302 1.00 12.22 N ATOM 1306 CA ALA A 80 11.949 -3.361 0.194 1.00 15.53 C ATOM 1307 C ALA A 80 12.709 -2.886 -1.053 1.00 13.35 C ATOM 1308 O ALA A 80 13.938 -2.848 -1.064 1.00 74.02 O ATOM 1309 CB ALA A 80 11.774 -4.883 0.170 1.00 53.14 C ATOM 0 H ALA A 80 9.839 -3.282 0.145 1.00 12.22 H new ATOM 0 HA ALA A 80 12.536 -3.104 1.076 1.00 15.53 H new ATOM 0 HB1 ALA A 80 12.751 -5.360 0.090 1.00 53.14 H new ATOM 0 HB2 ALA A 80 11.286 -5.208 1.089 1.00 53.14 H new ATOM 0 HB3 ALA A 80 11.161 -5.165 -0.686 1.00 53.14 H new ATOM 1315 N GLU A 81 11.949 -2.530 -2.105 1.00 23.04 N ATOM 1316 CA GLU A 81 12.500 -1.932 -3.341 1.00 53.22 C ATOM 1317 C GLU A 81 12.812 -0.434 -3.136 1.00 71.03 C ATOM 1318 O GLU A 81 13.731 0.107 -3.756 1.00 44.52 O ATOM 1319 CB GLU A 81 11.503 -2.140 -4.504 1.00 2.12 C ATOM 1320 CG GLU A 81 11.241 -3.628 -4.833 1.00 60.30 C ATOM 1321 CD GLU A 81 10.102 -3.845 -5.835 1.00 32.13 C ATOM 1322 OE1 GLU A 81 8.928 -3.926 -5.411 1.00 23.42 O ATOM 1323 OE2 GLU A 81 10.367 -3.914 -7.056 1.00 75.02 O ATOM 0 H GLU A 81 10.936 -2.648 -2.125 1.00 23.04 H new ATOM 0 HA GLU A 81 13.438 -2.429 -3.589 1.00 53.22 H new ATOM 0 HB2 GLU A 81 10.557 -1.660 -4.252 1.00 2.12 H new ATOM 0 HB3 GLU A 81 11.886 -1.641 -5.394 1.00 2.12 H new ATOM 0 HG2 GLU A 81 12.154 -4.069 -5.233 1.00 60.30 H new ATOM 0 HG3 GLU A 81 11.008 -4.160 -3.910 1.00 60.30 H new ATOM 1330 N LEU A 82 12.030 0.225 -2.261 1.00 21.22 N ATOM 1331 CA LEU A 82 12.253 1.638 -1.869 1.00 2.42 C ATOM 1332 C LEU A 82 13.460 1.764 -0.919 1.00 31.24 C ATOM 1333 O LEU A 82 14.093 2.822 -0.840 1.00 73.54 O ATOM 1334 CB LEU A 82 10.977 2.218 -1.192 1.00 64.03 C ATOM 1335 CG LEU A 82 9.699 2.254 -2.087 1.00 14.34 C ATOM 1336 CD1 LEU A 82 8.463 2.742 -1.303 1.00 13.22 C ATOM 1337 CD2 LEU A 82 9.934 3.103 -3.342 1.00 21.34 C ATOM 0 H LEU A 82 11.225 -0.203 -1.803 1.00 21.22 H new ATOM 0 HA LEU A 82 12.467 2.210 -2.772 1.00 2.42 H new ATOM 0 HB2 LEU A 82 10.759 1.628 -0.302 1.00 64.03 H new ATOM 0 HB3 LEU A 82 11.194 3.232 -0.857 1.00 64.03 H new ATOM 0 HG LEU A 82 9.493 1.232 -2.405 1.00 14.34 H new ATOM 0 HD11 LEU A 82 7.595 2.752 -1.962 1.00 13.22 H new ATOM 0 HD12 LEU A 82 8.275 2.070 -0.466 1.00 13.22 H new ATOM 0 HD13 LEU A 82 8.645 3.749 -0.927 1.00 13.22 H new ATOM 0 HD21 LEU A 82 9.029 3.113 -3.949 1.00 21.34 H new ATOM 0 HD22 LEU A 82 10.186 4.122 -3.050 1.00 21.34 H new ATOM 0 HD23 LEU A 82 10.755 2.678 -3.920 1.00 21.34 H new ATOM 1349 N GLY A 83 13.757 0.666 -0.213 1.00 1.14 N ATOM 1350 CA GLY A 83 14.852 0.601 0.747 1.00 11.52 C ATOM 1351 C GLY A 83 14.988 -0.802 1.309 1.00 43.35 C ATOM 1352 O GLY A 83 14.110 -1.256 2.053 1.00 43.32 O ATOM 0 H GLY A 83 13.236 -0.207 -0.297 1.00 1.14 H new ATOM 0 HA2 GLY A 83 15.784 0.897 0.265 1.00 11.52 H new ATOM 0 HA3 GLY A 83 14.674 1.308 1.558 1.00 11.52 H new ATOM 1403 N ILE A 87 11.213 -4.170 6.940 1.00 54.41 N ATOM 1404 CA ILE A 87 10.030 -3.317 6.711 1.00 53.21 C ATOM 1405 C ILE A 87 8.964 -3.548 7.810 1.00 5.11 C ATOM 1406 O ILE A 87 8.597 -4.697 8.086 1.00 70.11 O ATOM 1407 CB ILE A 87 9.423 -3.591 5.280 1.00 35.23 C ATOM 1408 CG1 ILE A 87 10.524 -3.473 4.161 1.00 72.10 C ATOM 1409 CG2 ILE A 87 8.222 -2.659 4.989 1.00 35.11 C ATOM 1410 CD1 ILE A 87 11.299 -2.155 4.138 1.00 64.51 C ATOM 0 HA ILE A 87 10.345 -2.274 6.759 1.00 53.21 H new ATOM 0 HB ILE A 87 9.052 -4.616 5.271 1.00 35.23 H new ATOM 0 HG12 ILE A 87 11.234 -4.290 4.287 1.00 72.10 H new ATOM 0 HG13 ILE A 87 10.047 -3.611 3.191 1.00 72.10 H new ATOM 0 HG21 ILE A 87 7.827 -2.873 3.996 1.00 35.11 H new ATOM 0 HG22 ILE A 87 7.443 -2.826 5.733 1.00 35.11 H new ATOM 0 HG23 ILE A 87 8.549 -1.620 5.033 1.00 35.11 H new ATOM 0 HD11 ILE A 87 12.031 -2.178 3.331 1.00 64.51 H new ATOM 0 HD12 ILE A 87 10.607 -1.329 3.977 1.00 64.51 H new ATOM 0 HD13 ILE A 87 11.812 -2.018 5.090 1.00 64.51 H new ATOM 1422 N ASN A 88 8.468 -2.455 8.430 1.00 74.02 N ATOM 1423 CA ASN A 88 7.473 -2.529 9.521 1.00 30.51 C ATOM 1424 C ASN A 88 6.039 -2.397 8.959 1.00 61.33 C ATOM 1425 O ASN A 88 5.799 -1.626 8.027 1.00 34.44 O ATOM 1426 CB ASN A 88 7.759 -1.414 10.566 1.00 3.54 C ATOM 1427 CG ASN A 88 6.904 -1.519 11.844 1.00 33.43 C ATOM 1428 OD1 ASN A 88 6.475 -2.604 12.239 1.00 55.54 O ATOM 1429 ND2 ASN A 88 6.663 -0.401 12.513 1.00 2.23 N ATOM 0 H ASN A 88 8.744 -1.503 8.190 1.00 74.02 H new ATOM 0 HA ASN A 88 7.553 -3.500 10.010 1.00 30.51 H new ATOM 0 HB2 ASN A 88 8.813 -1.451 10.842 1.00 3.54 H new ATOM 0 HB3 ASN A 88 7.584 -0.443 10.103 1.00 3.54 H new ATOM 0 HD21 ASN A 88 6.113 -0.429 13.372 1.00 2.23 H new ATOM 0 HD22 ASN A 88 7.027 0.488 12.169 1.00 2.23 H new ATOM 1436 N VAL A 89 5.098 -3.156 9.541 1.00 33.21 N ATOM 1437 CA VAL A 89 3.665 -3.116 9.185 1.00 10.02 C ATOM 1438 C VAL A 89 2.834 -2.788 10.440 1.00 14.34 C ATOM 1439 O VAL A 89 3.177 -3.210 11.550 1.00 61.41 O ATOM 1440 CB VAL A 89 3.190 -4.481 8.545 1.00 54.44 C ATOM 1441 CG1 VAL A 89 3.505 -5.690 9.460 1.00 5.35 C ATOM 1442 CG2 VAL A 89 1.686 -4.441 8.171 1.00 53.33 C ATOM 0 H VAL A 89 5.310 -3.824 10.282 1.00 33.21 H new ATOM 0 HA VAL A 89 3.515 -2.337 8.437 1.00 10.02 H new ATOM 0 HB VAL A 89 3.759 -4.614 7.625 1.00 54.44 H new ATOM 0 HG11 VAL A 89 3.162 -6.607 8.982 1.00 5.35 H new ATOM 0 HG12 VAL A 89 4.580 -5.749 9.628 1.00 5.35 H new ATOM 0 HG13 VAL A 89 2.995 -5.566 10.415 1.00 5.35 H new ATOM 0 HG21 VAL A 89 1.394 -5.396 7.734 1.00 53.33 H new ATOM 0 HG22 VAL A 89 1.093 -4.256 9.067 1.00 53.33 H new ATOM 0 HG23 VAL A 89 1.512 -3.643 7.449 1.00 53.33 H new ATOM 1452 N THR A 90 1.760 -2.005 10.262 1.00 71.32 N ATOM 1453 CA THR A 90 0.792 -1.697 11.328 1.00 64.34 C ATOM 1454 C THR A 90 -0.627 -1.707 10.736 1.00 24.00 C ATOM 1455 O THR A 90 -0.834 -1.217 9.623 1.00 60.03 O ATOM 1456 CB THR A 90 1.099 -0.299 11.966 1.00 2.23 C ATOM 1457 OG1 THR A 90 2.444 -0.286 12.472 1.00 20.15 O ATOM 1458 CG2 THR A 90 0.123 0.058 13.107 1.00 42.45 C ATOM 0 H THR A 90 1.536 -1.564 9.370 1.00 71.32 H new ATOM 0 HA THR A 90 0.870 -2.451 12.111 1.00 64.34 H new ATOM 0 HB THR A 90 0.976 0.448 11.182 1.00 2.23 H new ATOM 0 HG1 THR A 90 2.636 0.589 12.869 1.00 20.15 H new ATOM 0 HG21 THR A 90 0.381 1.036 13.514 1.00 42.45 H new ATOM 0 HG22 THR A 90 -0.896 0.083 12.720 1.00 42.45 H new ATOM 0 HG23 THR A 90 0.194 -0.692 13.894 1.00 42.45 H new ATOM 1466 N TRP A 91 -1.596 -2.285 11.468 1.00 64.01 N ATOM 1467 CA TRP A 91 -3.016 -2.262 11.076 1.00 54.12 C ATOM 1468 C TRP A 91 -3.798 -1.451 12.120 1.00 2.44 C ATOM 1469 O TRP A 91 -3.884 -1.851 13.286 1.00 33.24 O ATOM 1470 CB TRP A 91 -3.583 -3.703 10.940 1.00 14.41 C ATOM 1471 CG TRP A 91 -5.027 -3.792 10.460 1.00 32.02 C ATOM 1472 CD1 TRP A 91 -5.760 -2.832 9.809 1.00 74.30 C ATOM 1473 CD2 TRP A 91 -5.894 -4.930 10.572 1.00 4.43 C ATOM 1474 NE1 TRP A 91 -7.014 -3.296 9.538 1.00 0.12 N ATOM 1475 CE2 TRP A 91 -7.120 -4.582 9.982 1.00 21.34 C ATOM 1476 CE3 TRP A 91 -5.748 -6.210 11.111 1.00 5.22 C ATOM 1477 CZ2 TRP A 91 -8.192 -5.462 9.920 1.00 44.33 C ATOM 1478 CZ3 TRP A 91 -6.816 -7.085 11.053 1.00 24.03 C ATOM 1479 CH2 TRP A 91 -8.024 -6.709 10.455 1.00 32.22 C ATOM 0 H TRP A 91 -1.418 -2.778 12.343 1.00 64.01 H new ATOM 0 HA TRP A 91 -3.118 -1.790 10.099 1.00 54.12 H new ATOM 0 HB2 TRP A 91 -2.952 -4.260 10.247 1.00 14.41 H new ATOM 0 HB3 TRP A 91 -3.508 -4.198 11.908 1.00 14.41 H new ATOM 0 HD1 TRP A 91 -5.396 -1.849 9.548 1.00 74.30 H new ATOM 0 HE1 TRP A 91 -7.754 -2.766 9.077 1.00 0.12 H new ATOM 0 HE3 TRP A 91 -4.816 -6.511 11.566 1.00 5.22 H new ATOM 0 HZ2 TRP A 91 -9.127 -5.171 9.465 1.00 44.33 H new ATOM 0 HZ3 TRP A 91 -6.717 -8.074 11.476 1.00 24.03 H new ATOM 0 HH2 TRP A 91 -8.839 -7.417 10.415 1.00 32.22 H new ATOM 1490 N ASP A 92 -4.331 -0.307 11.677 1.00 70.44 N ATOM 1491 CA ASP A 92 -5.154 0.600 12.495 1.00 43.40 C ATOM 1492 C ASP A 92 -6.495 -0.071 12.865 1.00 65.42 C ATOM 1493 O ASP A 92 -6.839 -0.216 14.042 1.00 4.14 O ATOM 1494 CB ASP A 92 -5.393 1.905 11.680 1.00 12.42 C ATOM 1495 CG ASP A 92 -6.353 2.896 12.356 1.00 70.14 C ATOM 1496 OD1 ASP A 92 -5.889 3.742 13.153 1.00 3.12 O ATOM 1497 OD2 ASP A 92 -7.578 2.832 12.092 1.00 75.42 O ATOM 0 H ASP A 92 -4.202 0.024 10.721 1.00 70.44 H new ATOM 0 HA ASP A 92 -4.640 0.836 13.427 1.00 43.40 H new ATOM 0 HB2 ASP A 92 -4.435 2.398 11.514 1.00 12.42 H new ATOM 0 HB3 ASP A 92 -5.790 1.642 10.700 1.00 12.42 H new ATOM 1502 N GLY A 93 -7.208 -0.498 11.816 1.00 71.10 N ATOM 1503 CA GLY A 93 -8.547 -1.070 11.925 1.00 2.21 C ATOM 1504 C GLY A 93 -9.268 -0.926 10.608 1.00 61.22 C ATOM 1505 O GLY A 93 -9.699 -1.916 10.001 1.00 5.41 O ATOM 0 H GLY A 93 -6.863 -0.454 10.857 1.00 71.10 H new ATOM 0 HA2 GLY A 93 -8.482 -2.122 12.202 1.00 2.21 H new ATOM 0 HA3 GLY A 93 -9.106 -0.566 12.714 1.00 2.21 H new ATOM 1509 N ASP A 94 -9.377 0.334 10.156 1.00 40.30 N ATOM 1510 CA ASP A 94 -9.951 0.674 8.840 1.00 53.54 C ATOM 1511 C ASP A 94 -8.944 0.356 7.732 1.00 0.40 C ATOM 1512 O ASP A 94 -9.309 -0.063 6.630 1.00 24.23 O ATOM 1513 CB ASP A 94 -10.300 2.189 8.757 1.00 32.42 C ATOM 1514 CG ASP A 94 -11.252 2.690 9.859 1.00 62.12 C ATOM 1515 OD1 ASP A 94 -12.245 2.019 10.154 1.00 61.50 O ATOM 1516 OD2 ASP A 94 -11.026 3.769 10.428 1.00 72.23 O ATOM 0 H ASP A 94 -9.070 1.147 10.691 1.00 40.30 H new ATOM 0 HA ASP A 94 -10.859 0.084 8.713 1.00 53.54 H new ATOM 0 HB2 ASP A 94 -9.375 2.764 8.805 1.00 32.42 H new ATOM 0 HB3 ASP A 94 -10.751 2.392 7.786 1.00 32.42 H new ATOM 1521 N THR A 95 -7.667 0.595 8.051 1.00 3.43 N ATOM 1522 CA THR A 95 -6.591 0.705 7.070 1.00 2.32 C ATOM 1523 C THR A 95 -5.279 0.112 7.616 1.00 42.12 C ATOM 1524 O THR A 95 -4.963 0.281 8.797 1.00 34.41 O ATOM 1525 CB THR A 95 -6.410 2.219 6.703 1.00 50.22 C ATOM 1526 OG1 THR A 95 -7.630 2.720 6.131 1.00 1.14 O ATOM 1527 CG2 THR A 95 -5.264 2.466 5.722 1.00 40.20 C ATOM 0 H THR A 95 -7.351 0.719 9.013 1.00 3.43 H new ATOM 0 HA THR A 95 -6.851 0.136 6.177 1.00 2.32 H new ATOM 0 HB THR A 95 -6.164 2.741 7.627 1.00 50.22 H new ATOM 0 HG1 THR A 95 -7.520 3.667 5.902 1.00 1.14 H new ATOM 0 HG21 THR A 95 -5.191 3.532 5.509 1.00 40.20 H new ATOM 0 HG22 THR A 95 -4.328 2.119 6.161 1.00 40.20 H new ATOM 0 HG23 THR A 95 -5.454 1.923 4.796 1.00 40.20 H new ATOM 1535 N VAL A 96 -4.541 -0.600 6.748 1.00 71.05 N ATOM 1536 CA VAL A 96 -3.182 -1.074 7.031 1.00 64.12 C ATOM 1537 C VAL A 96 -2.172 -0.041 6.525 1.00 1.11 C ATOM 1538 O VAL A 96 -2.137 0.274 5.330 1.00 15.14 O ATOM 1539 CB VAL A 96 -2.891 -2.454 6.345 1.00 12.43 C ATOM 1540 CG1 VAL A 96 -1.422 -2.881 6.538 1.00 22.20 C ATOM 1541 CG2 VAL A 96 -3.843 -3.537 6.872 1.00 33.33 C ATOM 0 H VAL A 96 -4.877 -0.864 5.822 1.00 71.05 H new ATOM 0 HA VAL A 96 -3.091 -1.206 8.109 1.00 64.12 H new ATOM 0 HB VAL A 96 -3.065 -2.333 5.276 1.00 12.43 H new ATOM 0 HG11 VAL A 96 -1.255 -3.841 6.050 1.00 22.20 H new ATOM 0 HG12 VAL A 96 -0.764 -2.131 6.098 1.00 22.20 H new ATOM 0 HG13 VAL A 96 -1.207 -2.973 7.603 1.00 22.20 H new ATOM 0 HG21 VAL A 96 -3.622 -4.485 6.382 1.00 33.33 H new ATOM 0 HG22 VAL A 96 -3.710 -3.645 7.948 1.00 33.33 H new ATOM 0 HG23 VAL A 96 -4.873 -3.250 6.660 1.00 33.33 H new ATOM 1551 N THR A 97 -1.370 0.486 7.445 1.00 15.54 N ATOM 1552 CA THR A 97 -0.311 1.436 7.146 1.00 33.44 C ATOM 1553 C THR A 97 1.062 0.774 7.364 1.00 24.21 C ATOM 1554 O THR A 97 1.456 0.474 8.500 1.00 72.00 O ATOM 1555 CB THR A 97 -0.476 2.702 8.029 1.00 43.15 C ATOM 1556 OG1 THR A 97 -1.741 3.324 7.737 1.00 61.34 O ATOM 1557 CG2 THR A 97 0.640 3.724 7.817 1.00 72.34 C ATOM 0 H THR A 97 -1.442 0.259 8.437 1.00 15.54 H new ATOM 0 HA THR A 97 -0.376 1.741 6.102 1.00 33.44 H new ATOM 0 HB THR A 97 -0.428 2.376 9.068 1.00 43.15 H new ATOM 0 HG1 THR A 97 -1.658 3.868 6.926 1.00 61.34 H new ATOM 0 HG21 THR A 97 0.470 4.587 8.461 1.00 72.34 H new ATOM 0 HG22 THR A 97 1.600 3.271 8.063 1.00 72.34 H new ATOM 0 HG23 THR A 97 0.647 4.045 6.775 1.00 72.34 H new ATOM 1565 N VAL A 98 1.751 0.505 6.250 1.00 22.02 N ATOM 1566 CA VAL A 98 3.138 0.023 6.239 1.00 50.35 C ATOM 1567 C VAL A 98 4.055 1.248 6.155 1.00 54.11 C ATOM 1568 O VAL A 98 3.794 2.171 5.368 1.00 4.52 O ATOM 1569 CB VAL A 98 3.387 -0.970 5.038 1.00 34.44 C ATOM 1570 CG1 VAL A 98 4.886 -1.294 4.833 1.00 23.35 C ATOM 1571 CG2 VAL A 98 2.565 -2.269 5.226 1.00 50.21 C ATOM 0 H VAL A 98 1.356 0.617 5.316 1.00 22.02 H new ATOM 0 HA VAL A 98 3.350 -0.538 7.149 1.00 50.35 H new ATOM 0 HB VAL A 98 3.049 -0.465 4.133 1.00 34.44 H new ATOM 0 HG11 VAL A 98 4.998 -1.981 3.994 1.00 23.35 H new ATOM 0 HG12 VAL A 98 5.432 -0.374 4.624 1.00 23.35 H new ATOM 0 HG13 VAL A 98 5.285 -1.756 5.736 1.00 23.35 H new ATOM 0 HG21 VAL A 98 2.750 -2.941 4.388 1.00 50.21 H new ATOM 0 HG22 VAL A 98 2.862 -2.756 6.155 1.00 50.21 H new ATOM 0 HG23 VAL A 98 1.503 -2.025 5.268 1.00 50.21 H new ATOM 1581 N GLU A 99 5.109 1.254 6.976 1.00 24.14 N ATOM 1582 CA GLU A 99 5.970 2.425 7.168 1.00 75.40 C ATOM 1583 C GLU A 99 7.402 1.958 7.493 1.00 4.20 C ATOM 1584 O GLU A 99 7.610 0.801 7.889 1.00 53.01 O ATOM 1585 CB GLU A 99 5.379 3.305 8.308 1.00 43.44 C ATOM 1586 CG GLU A 99 5.935 4.740 8.387 1.00 1.22 C ATOM 1587 CD GLU A 99 5.330 5.571 9.539 1.00 42.03 C ATOM 1588 OE1 GLU A 99 4.105 5.470 9.793 1.00 34.15 O ATOM 1589 OE2 GLU A 99 6.070 6.344 10.183 1.00 11.54 O ATOM 0 H GLU A 99 5.390 0.444 7.528 1.00 24.14 H new ATOM 0 HA GLU A 99 6.012 3.025 6.259 1.00 75.40 H new ATOM 0 HB2 GLU A 99 4.298 3.358 8.180 1.00 43.44 H new ATOM 0 HB3 GLU A 99 5.563 2.808 9.261 1.00 43.44 H new ATOM 0 HG2 GLU A 99 7.017 4.696 8.510 1.00 1.22 H new ATOM 0 HG3 GLU A 99 5.742 5.249 7.442 1.00 1.22 H new ATOM 1596 N GLY A 100 8.383 2.857 7.292 1.00 42.23 N ATOM 1597 CA GLY A 100 9.776 2.587 7.639 1.00 23.32 C ATOM 1598 C GLY A 100 10.019 2.647 9.144 1.00 32.32 C ATOM 1599 O GLY A 100 9.304 3.366 9.861 1.00 32.24 O ATOM 0 H GLY A 100 8.227 3.780 6.888 1.00 42.23 H new ATOM 0 HA2 GLY A 100 10.057 1.602 7.267 1.00 23.32 H new ATOM 0 HA3 GLY A 100 10.420 3.311 7.140 1.00 23.32 H new