USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 844 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= 0.726 USER MOD Set 1.2: A 62 SER OG : rot 81:sc= 0.148 USER MOD Set 2.1: A 33 ASN : amide:sc= -1.29 K(o=-1,f=-2.2!) USER MOD Set 2.2: A 34 GLN : amide:sc= 0.293 K(o=-1,f=-2.4) USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0387) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0013 X(o=-0.0013,f=-0.01) USER MOD Single : A 23 ASN : amide:sc= -0.335 X(o=-0.33,f=-0.13) USER MOD Single : A 26 ASN : amide:sc= -0.372 K(o=-0.37,f=-1.9) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0449 USER MOD Single : A 55 THR OG1 : rot 47:sc= 0.0197 USER MOD Single : A 60 LYS NZ :NH3+ -165:sc= 1.07 (180deg=0.861) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -88:sc= 1.25 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -32:sc= -0.086 USER MOD Single : A 80 GLN : amide:sc= 0.187 K(o=0.19,f=-0.7) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0382 X(o=-0.038,f=-0.0074) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 103 LYS NZ :NH3+ -159:sc= 0.64 (180deg=0.398) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.99) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0793 X(o=-0.079,f=0) USER MOD Single : A 113 TYR OH : rot -22:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 146 N LYS A 11 7.307 -13.031 5.552 1.00 62.32 N ATOM 147 CA LYS A 11 6.358 -12.895 4.444 1.00 74.04 C ATOM 148 C LYS A 11 7.010 -12.045 3.368 1.00 54.34 C ATOM 149 O LYS A 11 7.503 -10.962 3.676 1.00 22.53 O ATOM 150 CB LYS A 11 5.040 -12.227 4.884 1.00 51.04 C ATOM 151 CG LYS A 11 3.910 -13.191 5.285 1.00 70.43 C ATOM 152 CD LYS A 11 3.486 -13.092 6.754 1.00 20.00 C ATOM 153 CE LYS A 11 4.451 -13.816 7.691 1.00 21.21 C ATOM 154 NZ LYS A 11 4.290 -15.281 7.612 1.00 62.23 N ATOM 0 HA LYS A 11 6.112 -13.891 4.076 1.00 74.04 H new ATOM 0 HB2 LYS A 11 5.250 -11.570 5.728 1.00 51.04 H new ATOM 0 HB3 LYS A 11 4.684 -11.596 4.070 1.00 51.04 H new ATOM 0 HG2 LYS A 11 3.042 -12.996 4.655 1.00 70.43 H new ATOM 0 HG3 LYS A 11 4.230 -14.212 5.080 1.00 70.43 H new ATOM 0 HD2 LYS A 11 3.425 -12.042 7.041 1.00 20.00 H new ATOM 0 HD3 LYS A 11 2.487 -13.513 6.870 1.00 20.00 H new ATOM 0 HE2 LYS A 11 5.476 -13.548 7.436 1.00 21.21 H new ATOM 0 HE3 LYS A 11 4.281 -13.486 8.716 1.00 21.21 H new ATOM 0 HZ1 LYS A 11 4.847 -15.733 8.365 1.00 62.23 H new ATOM 0 HZ2 LYS A 11 3.286 -15.527 7.729 1.00 62.23 H new ATOM 0 HZ3 LYS A 11 4.623 -15.617 6.686 1.00 62.23 H new ATOM 168 N ASP A 12 7.019 -12.513 2.119 1.00 61.11 N ATOM 169 CA ASP A 12 7.607 -11.742 1.024 1.00 4.24 C ATOM 170 C ASP A 12 6.746 -10.517 0.792 1.00 12.02 C ATOM 171 O ASP A 12 7.262 -9.488 0.374 1.00 54.43 O ATOM 172 CB ASP A 12 7.729 -12.516 -0.293 1.00 32.33 C ATOM 173 CG ASP A 12 6.400 -13.061 -0.800 1.00 61.41 C ATOM 174 OD1 ASP A 12 5.883 -14.003 -0.157 1.00 52.21 O ATOM 175 OD2 ASP A 12 5.890 -12.575 -1.835 1.00 62.21 O ATOM 0 H ASP A 12 6.629 -13.414 1.842 1.00 61.11 H new ATOM 0 HA ASP A 12 8.623 -11.487 1.325 1.00 4.24 H new ATOM 0 HB2 ASP A 12 8.158 -11.862 -1.052 1.00 32.33 H new ATOM 0 HB3 ASP A 12 8.424 -13.344 -0.156 1.00 32.33 H new ATOM 180 N LYS A 13 5.439 -10.610 1.062 1.00 31.44 N ATOM 181 CA LYS A 13 4.547 -9.479 0.891 1.00 31.44 C ATOM 182 C LYS A 13 4.950 -8.387 1.870 1.00 33.50 C ATOM 183 O LYS A 13 5.152 -7.249 1.473 1.00 51.42 O ATOM 184 CB LYS A 13 3.086 -9.904 1.059 1.00 22.31 C ATOM 185 CG LYS A 13 2.648 -10.810 -0.109 1.00 42.53 C ATOM 186 CD LYS A 13 1.114 -10.836 -0.255 1.00 11.43 C ATOM 187 CE LYS A 13 0.628 -11.378 -1.606 1.00 61.21 C ATOM 188 NZ LYS A 13 0.883 -12.822 -1.784 1.00 43.10 N ATOM 0 H LYS A 13 4.985 -11.459 1.399 1.00 31.44 H new ATOM 0 HA LYS A 13 4.634 -9.085 -0.121 1.00 31.44 H new ATOM 0 HB2 LYS A 13 2.962 -10.433 2.004 1.00 22.31 H new ATOM 0 HB3 LYS A 13 2.447 -9.022 1.102 1.00 22.31 H new ATOM 0 HG2 LYS A 13 3.097 -10.454 -1.036 1.00 42.53 H new ATOM 0 HG3 LYS A 13 3.017 -11.822 0.056 1.00 42.53 H new ATOM 0 HD2 LYS A 13 0.693 -11.447 0.543 1.00 11.43 H new ATOM 0 HD3 LYS A 13 0.729 -9.825 -0.120 1.00 11.43 H new ATOM 0 HE2 LYS A 13 -0.442 -11.191 -1.701 1.00 61.21 H new ATOM 0 HE3 LYS A 13 1.120 -10.828 -2.408 1.00 61.21 H new ATOM 0 HZ1 LYS A 13 0.532 -13.124 -2.715 1.00 43.10 H new ATOM 0 HZ2 LYS A 13 1.905 -13.004 -1.724 1.00 43.10 H new ATOM 0 HZ3 LYS A 13 0.392 -13.356 -1.039 1.00 43.10 H new ATOM 202 N LEU A 14 5.100 -8.729 3.148 1.00 23.31 N ATOM 203 CA LEU A 14 5.490 -7.734 4.131 1.00 43.03 C ATOM 204 C LEU A 14 6.901 -7.232 3.845 1.00 10.13 C ATOM 205 O LEU A 14 7.148 -6.052 4.056 1.00 33.35 O ATOM 206 CB LEU A 14 5.365 -8.297 5.552 1.00 74.43 C ATOM 207 CG LEU A 14 3.926 -8.730 5.895 1.00 70.40 C ATOM 208 CD1 LEU A 14 3.873 -9.293 7.311 1.00 21.05 C ATOM 209 CD2 LEU A 14 2.928 -7.578 5.791 1.00 60.54 C ATOM 0 H LEU A 14 4.960 -9.669 3.517 1.00 23.31 H new ATOM 0 HA LEU A 14 4.813 -6.883 4.058 1.00 43.03 H new ATOM 0 HB2 LEU A 14 6.033 -9.152 5.660 1.00 74.43 H new ATOM 0 HB3 LEU A 14 5.694 -7.543 6.267 1.00 74.43 H new ATOM 0 HG LEU A 14 3.646 -9.490 5.166 1.00 70.40 H new ATOM 0 HD11 LEU A 14 2.852 -9.596 7.544 1.00 21.05 H new ATOM 0 HD12 LEU A 14 4.534 -10.157 7.384 1.00 21.05 H new ATOM 0 HD13 LEU A 14 4.195 -8.529 8.019 1.00 21.05 H new ATOM 0 HD21 LEU A 14 1.930 -7.937 6.043 1.00 60.54 H new ATOM 0 HD22 LEU A 14 3.214 -6.786 6.483 1.00 60.54 H new ATOM 0 HD23 LEU A 14 2.927 -7.188 4.773 1.00 60.54 H new ATOM 221 N GLN A 15 7.803 -8.082 3.342 1.00 51.12 N ATOM 222 CA GLN A 15 9.175 -7.680 3.051 1.00 22.15 C ATOM 223 C GLN A 15 9.242 -6.652 1.922 1.00 3.21 C ATOM 224 O GLN A 15 9.959 -5.668 2.072 1.00 51.44 O ATOM 225 CB GLN A 15 10.057 -8.912 2.786 1.00 2.11 C ATOM 226 CG GLN A 15 11.565 -8.590 2.846 1.00 13.42 C ATOM 227 CD GLN A 15 12.367 -9.804 3.318 1.00 0.51 C ATOM 228 OE1 GLN A 15 12.253 -10.209 4.466 1.00 12.22 O ATOM 229 NE2 GLN A 15 13.206 -10.417 2.498 1.00 51.41 N ATOM 0 H GLN A 15 7.601 -9.059 3.128 1.00 51.12 H new ATOM 0 HA GLN A 15 9.575 -7.180 3.933 1.00 22.15 H new ATOM 0 HB2 GLN A 15 9.825 -9.684 3.520 1.00 2.11 H new ATOM 0 HB3 GLN A 15 9.816 -9.322 1.805 1.00 2.11 H new ATOM 0 HG2 GLN A 15 11.914 -8.280 1.861 1.00 13.42 H new ATOM 0 HG3 GLN A 15 11.735 -7.752 3.522 1.00 13.42 H new ATOM 0 HE21 GLN A 15 13.311 -10.090 1.538 1.00 51.41 H new ATOM 0 HE22 GLN A 15 13.747 -11.217 2.826 1.00 51.41 H new ATOM 238 N VAL A 16 8.516 -6.829 0.811 1.00 10.21 N ATOM 239 CA VAL A 16 8.572 -5.841 -0.270 1.00 62.21 C ATOM 240 C VAL A 16 7.992 -4.498 0.183 1.00 71.40 C ATOM 241 O VAL A 16 8.525 -3.453 -0.190 1.00 54.21 O ATOM 242 CB VAL A 16 7.904 -6.341 -1.565 1.00 43.30 C ATOM 243 CG1 VAL A 16 8.652 -7.531 -2.156 1.00 74.25 C ATOM 244 CG2 VAL A 16 6.428 -6.698 -1.433 1.00 24.33 C ATOM 0 H VAL A 16 7.900 -7.624 0.640 1.00 10.21 H new ATOM 0 HA VAL A 16 9.625 -5.690 -0.509 1.00 62.21 H new ATOM 0 HB VAL A 16 7.959 -5.483 -2.236 1.00 43.30 H new ATOM 0 HG11 VAL A 16 8.153 -7.858 -3.068 1.00 74.25 H new ATOM 0 HG12 VAL A 16 9.676 -7.239 -2.387 1.00 74.25 H new ATOM 0 HG13 VAL A 16 8.662 -8.349 -1.435 1.00 74.25 H new ATOM 0 HG21 VAL A 16 6.049 -7.039 -2.396 1.00 24.33 H new ATOM 0 HG22 VAL A 16 6.310 -7.492 -0.695 1.00 24.33 H new ATOM 0 HG23 VAL A 16 5.868 -5.819 -1.113 1.00 24.33 H new ATOM 254 N ILE A 17 6.920 -4.513 0.983 1.00 32.44 N ATOM 255 CA ILE A 17 6.313 -3.277 1.460 1.00 20.41 C ATOM 256 C ILE A 17 7.259 -2.635 2.483 1.00 23.21 C ATOM 257 O ILE A 17 7.411 -1.420 2.489 1.00 30.44 O ATOM 258 CB ILE A 17 4.882 -3.497 2.002 1.00 31.25 C ATOM 259 CG1 ILE A 17 3.964 -4.277 1.034 1.00 33.12 C ATOM 260 CG2 ILE A 17 4.208 -2.138 2.253 1.00 55.03 C ATOM 261 CD1 ILE A 17 2.725 -4.827 1.753 1.00 61.44 C ATOM 0 H ILE A 17 6.461 -5.364 1.309 1.00 32.44 H new ATOM 0 HA ILE A 17 6.183 -2.586 0.627 1.00 20.41 H new ATOM 0 HB ILE A 17 5.002 -4.082 2.914 1.00 31.25 H new ATOM 0 HG12 ILE A 17 3.653 -3.623 0.220 1.00 33.12 H new ATOM 0 HG13 ILE A 17 4.521 -5.100 0.586 1.00 33.12 H new ATOM 0 HG21 ILE A 17 3.200 -2.297 2.635 1.00 55.03 H new ATOM 0 HG22 ILE A 17 4.788 -1.574 2.983 1.00 55.03 H new ATOM 0 HG23 ILE A 17 4.158 -1.579 1.319 1.00 55.03 H new ATOM 0 HD11 ILE A 17 2.102 -5.370 1.042 1.00 61.44 H new ATOM 0 HD12 ILE A 17 3.037 -5.501 2.551 1.00 61.44 H new ATOM 0 HD13 ILE A 17 2.155 -4.001 2.178 1.00 61.44 H new ATOM 273 N ASP A 18 7.912 -3.415 3.343 1.00 62.03 N ATOM 274 CA ASP A 18 8.841 -2.860 4.335 1.00 42.12 C ATOM 275 C ASP A 18 10.045 -2.246 3.626 1.00 24.11 C ATOM 276 O ASP A 18 10.558 -1.217 4.059 1.00 13.44 O ATOM 277 CB ASP A 18 9.288 -3.893 5.375 1.00 72.25 C ATOM 278 CG ASP A 18 9.656 -3.193 6.685 1.00 62.14 C ATOM 279 OD1 ASP A 18 8.707 -2.727 7.353 1.00 21.10 O ATOM 280 OD2 ASP A 18 10.853 -3.203 7.073 1.00 11.24 O ATOM 0 H ASP A 18 7.818 -4.430 3.376 1.00 62.03 H new ATOM 0 HA ASP A 18 8.307 -2.085 4.885 1.00 42.12 H new ATOM 0 HB2 ASP A 18 8.489 -4.614 5.550 1.00 72.25 H new ATOM 0 HB3 ASP A 18 10.145 -4.452 4.999 1.00 72.25 H new ATOM 285 N TRP A 19 10.464 -2.849 2.507 1.00 33.40 N ATOM 286 CA TRP A 19 11.581 -2.376 1.712 1.00 51.52 C ATOM 287 C TRP A 19 11.218 -1.006 1.152 1.00 33.13 C ATOM 288 O TRP A 19 11.944 -0.045 1.398 1.00 61.21 O ATOM 289 CB TRP A 19 11.911 -3.397 0.607 1.00 21.33 C ATOM 290 CG TRP A 19 13.064 -3.081 -0.303 1.00 22.43 C ATOM 291 CD1 TRP A 19 13.128 -2.047 -1.173 1.00 2.11 C ATOM 292 CD2 TRP A 19 14.325 -3.803 -0.463 1.00 21.32 C ATOM 293 NE1 TRP A 19 14.356 -2.038 -1.800 1.00 43.24 N ATOM 294 CE2 TRP A 19 15.120 -3.124 -1.435 1.00 52.43 C ATOM 295 CE3 TRP A 19 14.875 -4.968 0.115 1.00 74.53 C ATOM 296 CZ2 TRP A 19 16.386 -3.580 -1.829 1.00 5.41 C ATOM 297 CZ3 TRP A 19 16.147 -5.434 -0.265 1.00 1.12 C ATOM 298 CH2 TRP A 19 16.899 -4.744 -1.232 1.00 31.51 C ATOM 0 H TRP A 19 10.025 -3.689 2.132 1.00 33.40 H new ATOM 0 HA TRP A 19 12.480 -2.274 2.320 1.00 51.52 H new ATOM 0 HB2 TRP A 19 12.111 -4.357 1.084 1.00 21.33 H new ATOM 0 HB3 TRP A 19 11.021 -3.526 -0.009 1.00 21.33 H new ATOM 0 HD1 TRP A 19 12.336 -1.335 -1.350 1.00 2.11 H new ATOM 0 HE1 TRP A 19 14.661 -1.316 -2.453 1.00 43.24 H new ATOM 0 HE3 TRP A 19 14.311 -5.509 0.860 1.00 74.53 H new ATOM 0 HZ2 TRP A 19 16.955 -3.047 -2.576 1.00 5.41 H new ATOM 0 HZ3 TRP A 19 16.548 -6.328 0.189 1.00 1.12 H new ATOM 0 HH2 TRP A 19 17.874 -5.110 -1.517 1.00 31.51 H new ATOM 309 N LEU A 20 10.087 -0.873 0.444 1.00 10.53 N ATOM 310 CA LEU A 20 9.706 0.424 -0.111 1.00 61.11 C ATOM 311 C LEU A 20 9.458 1.462 0.995 1.00 34.31 C ATOM 312 O LEU A 20 9.782 2.633 0.791 1.00 72.44 O ATOM 313 CB LEU A 20 8.583 0.283 -1.154 1.00 42.40 C ATOM 314 CG LEU A 20 7.195 -0.110 -0.625 1.00 55.54 C ATOM 315 CD1 LEU A 20 6.299 1.102 -0.364 1.00 42.32 C ATOM 316 CD2 LEU A 20 6.482 -1.074 -1.579 1.00 41.44 C ATOM 0 H LEU A 20 9.435 -1.633 0.248 1.00 10.53 H new ATOM 0 HA LEU A 20 10.547 0.829 -0.674 1.00 61.11 H new ATOM 0 HB2 LEU A 20 8.489 1.231 -1.683 1.00 42.40 H new ATOM 0 HB3 LEU A 20 8.891 -0.462 -1.887 1.00 42.40 H new ATOM 0 HG LEU A 20 7.372 -0.611 0.327 1.00 55.54 H new ATOM 0 HD11 LEU A 20 5.331 0.766 0.008 1.00 42.32 H new ATOM 0 HD12 LEU A 20 6.768 1.748 0.378 1.00 42.32 H new ATOM 0 HD13 LEU A 20 6.158 1.657 -1.292 1.00 42.32 H new ATOM 0 HD21 LEU A 20 5.504 -1.330 -1.173 1.00 41.44 H new ATOM 0 HD22 LEU A 20 6.358 -0.598 -2.552 1.00 41.44 H new ATOM 0 HD23 LEU A 20 7.077 -1.980 -1.692 1.00 41.44 H new ATOM 328 N ILE A 21 8.935 1.068 2.166 1.00 52.35 N ATOM 329 CA ILE A 21 8.693 1.994 3.276 1.00 73.53 C ATOM 330 C ILE A 21 10.034 2.581 3.741 1.00 32.03 C ATOM 331 O ILE A 21 10.120 3.782 4.001 1.00 4.05 O ATOM 332 CB ILE A 21 7.974 1.278 4.458 1.00 55.35 C ATOM 333 CG1 ILE A 21 6.482 0.984 4.168 1.00 30.22 C ATOM 334 CG2 ILE A 21 8.060 2.098 5.765 1.00 53.22 C ATOM 335 CD1 ILE A 21 5.914 -0.130 5.058 1.00 70.21 C ATOM 0 H ILE A 21 8.670 0.104 2.367 1.00 52.35 H new ATOM 0 HA ILE A 21 8.041 2.796 2.932 1.00 73.53 H new ATOM 0 HB ILE A 21 8.502 0.332 4.577 1.00 55.35 H new ATOM 0 HG12 ILE A 21 5.901 1.894 4.317 1.00 30.22 H new ATOM 0 HG13 ILE A 21 6.368 0.701 3.122 1.00 30.22 H new ATOM 0 HG21 ILE A 21 7.546 1.564 6.564 1.00 53.22 H new ATOM 0 HG22 ILE A 21 9.106 2.240 6.037 1.00 53.22 H new ATOM 0 HG23 ILE A 21 7.589 3.069 5.617 1.00 53.22 H new ATOM 0 HD11 ILE A 21 4.865 -0.294 4.811 1.00 70.21 H new ATOM 0 HD12 ILE A 21 6.474 -1.050 4.891 1.00 70.21 H new ATOM 0 HD13 ILE A 21 5.999 0.162 6.105 1.00 70.21 H new ATOM 347 N GLU A 22 11.062 1.746 3.889 1.00 21.00 N ATOM 348 CA GLU A 22 12.375 2.173 4.351 1.00 30.22 C ATOM 349 C GLU A 22 13.218 2.839 3.261 1.00 33.43 C ATOM 350 O GLU A 22 14.088 3.649 3.584 1.00 30.21 O ATOM 351 CB GLU A 22 13.073 0.952 4.957 1.00 61.43 C ATOM 352 CG GLU A 22 14.279 1.337 5.820 1.00 40.35 C ATOM 353 CD GLU A 22 14.694 0.149 6.681 1.00 41.53 C ATOM 354 OE1 GLU A 22 15.549 -0.640 6.237 1.00 21.33 O ATOM 355 OE2 GLU A 22 14.111 -0.024 7.781 1.00 53.40 O ATOM 0 H GLU A 22 11.003 0.748 3.689 1.00 21.00 H new ATOM 0 HA GLU A 22 12.251 2.951 5.104 1.00 30.22 H new ATOM 0 HB2 GLU A 22 12.360 0.393 5.563 1.00 61.43 H new ATOM 0 HB3 GLU A 22 13.400 0.289 4.156 1.00 61.43 H new ATOM 0 HG2 GLU A 22 15.109 1.646 5.185 1.00 40.35 H new ATOM 0 HG3 GLU A 22 14.028 2.188 6.453 1.00 40.35 H new ATOM 362 N ASN A 23 12.971 2.524 1.984 1.00 1.13 N ATOM 363 CA ASN A 23 13.720 3.100 0.863 1.00 72.51 C ATOM 364 C ASN A 23 13.394 4.582 0.735 1.00 54.54 C ATOM 365 O ASN A 23 14.320 5.377 0.610 1.00 62.21 O ATOM 366 CB ASN A 23 13.486 2.346 -0.460 1.00 4.23 C ATOM 367 CG ASN A 23 14.426 1.153 -0.630 1.00 34.44 C ATOM 368 OD1 ASN A 23 15.057 0.968 -1.665 1.00 13.13 O ATOM 369 ND2 ASN A 23 14.531 0.290 0.365 1.00 14.23 N ATOM 0 H ASN A 23 12.247 1.864 1.700 1.00 1.13 H new ATOM 0 HA ASN A 23 14.783 2.990 1.079 1.00 72.51 H new ATOM 0 HB2 ASN A 23 12.453 1.999 -0.498 1.00 4.23 H new ATOM 0 HB3 ASN A 23 13.622 3.033 -1.295 1.00 4.23 H new ATOM 0 HD21 ASN A 23 15.135 -0.526 0.270 1.00 14.23 H new ATOM 0 HD22 ASN A 23 14.008 0.440 1.228 1.00 14.23 H new ATOM 376 N PHE A 24 12.110 4.962 0.782 1.00 71.40 N ATOM 377 CA PHE A 24 11.698 6.361 0.697 1.00 54.00 C ATOM 378 C PHE A 24 11.082 6.763 2.038 1.00 33.43 C ATOM 379 O PHE A 24 9.857 6.747 2.209 1.00 22.41 O ATOM 380 CB PHE A 24 10.790 6.665 -0.505 1.00 45.32 C ATOM 381 CG PHE A 24 11.528 6.942 -1.805 1.00 43.22 C ATOM 382 CD1 PHE A 24 12.527 7.938 -1.873 1.00 20.44 C ATOM 383 CD2 PHE A 24 11.159 6.261 -2.978 1.00 11.01 C ATOM 384 CE1 PHE A 24 13.159 8.228 -3.093 1.00 75.34 C ATOM 385 CE2 PHE A 24 11.786 6.552 -4.201 1.00 11.12 C ATOM 386 CZ PHE A 24 12.791 7.532 -4.257 1.00 14.44 C ATOM 0 H PHE A 24 11.334 4.308 0.880 1.00 71.40 H new ATOM 0 HA PHE A 24 12.578 6.976 0.508 1.00 54.00 H new ATOM 0 HB2 PHE A 24 10.118 5.821 -0.658 1.00 45.32 H new ATOM 0 HB3 PHE A 24 10.169 7.528 -0.265 1.00 45.32 H new ATOM 0 HD1 PHE A 24 12.807 8.480 -0.982 1.00 20.44 H new ATOM 0 HD2 PHE A 24 10.387 5.507 -2.939 1.00 11.01 H new ATOM 0 HE1 PHE A 24 13.928 8.986 -3.137 1.00 75.34 H new ATOM 0 HE2 PHE A 24 11.496 6.023 -5.097 1.00 11.12 H new ATOM 0 HZ PHE A 24 13.281 7.750 -5.194 1.00 14.44 H new ATOM 396 N PRO A 25 11.907 7.159 3.020 1.00 50.32 N ATOM 397 CA PRO A 25 11.456 7.577 4.339 1.00 54.00 C ATOM 398 C PRO A 25 10.886 9.008 4.312 1.00 20.35 C ATOM 399 O PRO A 25 11.072 9.752 5.272 1.00 10.13 O ATOM 400 CB PRO A 25 12.698 7.432 5.219 1.00 43.23 C ATOM 401 CG PRO A 25 13.803 7.862 4.265 1.00 63.24 C ATOM 402 CD PRO A 25 13.362 7.223 2.958 1.00 20.25 C ATOM 0 HA PRO A 25 10.630 6.977 4.721 1.00 54.00 H new ATOM 0 HB2 PRO A 25 12.650 8.068 6.103 1.00 43.23 H new ATOM 0 HB3 PRO A 25 12.835 6.409 5.569 1.00 43.23 H new ATOM 0 HG2 PRO A 25 13.873 8.947 4.185 1.00 63.24 H new ATOM 0 HG3 PRO A 25 14.781 7.502 4.585 1.00 63.24 H new ATOM 0 HD2 PRO A 25 13.692 7.813 2.103 1.00 20.25 H new ATOM 0 HD3 PRO A 25 13.793 6.228 2.844 1.00 20.25 H new ATOM 410 N ASN A 26 10.289 9.456 3.200 1.00 31.53 N ATOM 411 CA ASN A 26 9.725 10.806 3.101 1.00 54.12 C ATOM 412 C ASN A 26 8.229 10.782 3.426 1.00 73.31 C ATOM 413 O ASN A 26 7.657 11.826 3.744 1.00 44.21 O ATOM 414 CB ASN A 26 9.982 11.423 1.722 1.00 75.54 C ATOM 415 CG ASN A 26 11.440 11.704 1.354 1.00 54.10 C ATOM 416 OD1 ASN A 26 11.732 12.155 0.250 1.00 12.13 O ATOM 417 ND2 ASN A 26 12.394 11.524 2.251 1.00 53.52 N ATOM 0 H ASN A 26 10.184 8.898 2.352 1.00 31.53 H new ATOM 0 HA ASN A 26 10.227 11.437 3.834 1.00 54.12 H new ATOM 0 HB2 ASN A 26 9.564 10.756 0.968 1.00 75.54 H new ATOM 0 HB3 ASN A 26 9.429 12.360 1.661 1.00 75.54 H new ATOM 0 HD21 ASN A 26 13.360 11.759 2.022 1.00 53.52 H new ATOM 0 HD22 ASN A 26 12.164 11.150 3.172 1.00 53.52 H new ATOM 424 N ALA A 27 7.594 9.604 3.334 1.00 2.12 N ATOM 425 CA ALA A 27 6.196 9.326 3.644 1.00 21.34 C ATOM 426 C ALA A 27 5.849 7.904 3.220 1.00 11.24 C ATOM 427 O ALA A 27 5.912 7.582 2.041 1.00 10.11 O ATOM 428 CB ALA A 27 5.293 10.224 2.792 1.00 73.02 C ATOM 0 H ALA A 27 8.084 8.767 3.019 1.00 2.12 H new ATOM 0 HA ALA A 27 6.052 9.486 4.713 1.00 21.34 H new ATOM 0 HB1 ALA A 27 4.249 10.015 3.025 1.00 73.02 H new ATOM 0 HB2 ALA A 27 5.511 11.270 3.009 1.00 73.02 H new ATOM 0 HB3 ALA A 27 5.476 10.027 1.736 1.00 73.02 H new ATOM 434 N PHE A 28 5.463 7.072 4.182 1.00 74.51 N ATOM 435 CA PHE A 28 5.010 5.687 4.092 1.00 4.51 C ATOM 436 C PHE A 28 4.689 5.220 5.526 1.00 13.24 C ATOM 437 O PHE A 28 5.024 5.934 6.474 1.00 43.10 O ATOM 438 CB PHE A 28 6.007 4.801 3.320 1.00 52.22 C ATOM 439 CG PHE A 28 5.524 4.449 1.921 1.00 23.52 C ATOM 440 CD1 PHE A 28 4.388 3.633 1.760 1.00 25.34 C ATOM 441 CD2 PHE A 28 6.151 4.994 0.782 1.00 31.25 C ATOM 442 CE1 PHE A 28 3.881 3.354 0.480 1.00 54.11 C ATOM 443 CE2 PHE A 28 5.617 4.749 -0.497 1.00 43.23 C ATOM 444 CZ PHE A 28 4.495 3.917 -0.652 1.00 2.33 C ATOM 0 H PHE A 28 5.460 7.387 5.152 1.00 74.51 H new ATOM 0 HA PHE A 28 4.101 5.601 3.497 1.00 4.51 H new ATOM 0 HB2 PHE A 28 6.965 5.317 3.249 1.00 52.22 H new ATOM 0 HB3 PHE A 28 6.180 3.883 3.881 1.00 52.22 H new ATOM 0 HD1 PHE A 28 3.901 3.217 2.630 1.00 25.34 H new ATOM 0 HD2 PHE A 28 7.039 5.598 0.891 1.00 31.25 H new ATOM 0 HE1 PHE A 28 3.022 2.709 0.366 1.00 54.11 H new ATOM 0 HE2 PHE A 28 6.072 5.203 -1.365 1.00 43.23 H new ATOM 0 HZ PHE A 28 4.106 3.711 -1.638 1.00 2.33 H new ATOM 454 N PHE A 29 4.057 4.054 5.731 1.00 42.34 N ATOM 455 CA PHE A 29 3.766 3.529 7.073 1.00 13.32 C ATOM 456 C PHE A 29 3.695 2.013 7.057 1.00 0.42 C ATOM 457 O PHE A 29 3.291 1.407 6.061 1.00 61.35 O ATOM 458 CB PHE A 29 2.455 4.047 7.684 1.00 70.01 C ATOM 459 CG PHE A 29 2.537 5.478 8.160 1.00 31.01 C ATOM 460 CD1 PHE A 29 1.833 6.491 7.487 1.00 0.54 C ATOM 461 CD2 PHE A 29 3.421 5.807 9.205 1.00 50.32 C ATOM 462 CE1 PHE A 29 2.063 7.837 7.802 1.00 53.22 C ATOM 463 CE2 PHE A 29 3.627 7.156 9.541 1.00 22.33 C ATOM 464 CZ PHE A 29 2.969 8.162 8.819 1.00 34.14 C ATOM 0 H PHE A 29 3.735 3.451 4.974 1.00 42.34 H new ATOM 0 HA PHE A 29 4.590 3.887 7.690 1.00 13.32 H new ATOM 0 HB2 PHE A 29 1.660 3.964 6.943 1.00 70.01 H new ATOM 0 HB3 PHE A 29 2.177 3.409 8.523 1.00 70.01 H new ATOM 0 HD1 PHE A 29 1.113 6.232 6.725 1.00 0.54 H new ATOM 0 HD2 PHE A 29 3.938 5.028 9.745 1.00 50.32 H new ATOM 0 HE1 PHE A 29 1.545 8.618 7.264 1.00 53.22 H new ATOM 0 HE2 PHE A 29 4.290 7.417 10.353 1.00 22.33 H new ATOM 0 HZ PHE A 29 3.163 9.199 9.050 1.00 34.14 H new ATOM 474 N LYS A 30 4.022 1.423 8.208 1.00 75.21 N ATOM 475 CA LYS A 30 4.026 -0.014 8.440 1.00 52.13 C ATOM 476 C LYS A 30 2.674 -0.497 8.949 1.00 62.32 C ATOM 477 O LYS A 30 1.949 -1.188 8.232 1.00 65.14 O ATOM 478 CB LYS A 30 5.140 -0.363 9.440 1.00 15.04 C ATOM 479 CG LYS A 30 6.527 -0.107 8.846 1.00 50.43 C ATOM 480 CD LYS A 30 7.596 -0.051 9.931 1.00 73.24 C ATOM 481 CE LYS A 30 8.963 0.007 9.234 1.00 65.22 C ATOM 482 NZ LYS A 30 10.093 -0.149 10.167 1.00 12.11 N ATOM 0 H LYS A 30 4.301 1.956 9.031 1.00 75.21 H new ATOM 0 HA LYS A 30 4.216 -0.522 7.494 1.00 52.13 H new ATOM 0 HB2 LYS A 30 5.016 0.230 10.346 1.00 15.04 H new ATOM 0 HB3 LYS A 30 5.055 -1.410 9.730 1.00 15.04 H new ATOM 0 HG2 LYS A 30 6.770 -0.895 8.134 1.00 50.43 H new ATOM 0 HG3 LYS A 30 6.519 0.832 8.292 1.00 50.43 H new ATOM 0 HD2 LYS A 30 7.452 0.824 10.565 1.00 73.24 H new ATOM 0 HD3 LYS A 30 7.532 -0.927 10.577 1.00 73.24 H new ATOM 0 HE2 LYS A 30 9.013 -0.777 8.478 1.00 65.22 H new ATOM 0 HE3 LYS A 30 9.059 0.959 8.713 1.00 65.22 H new ATOM 0 HZ1 LYS A 30 10.988 -0.101 9.639 1.00 12.11 H new ATOM 0 HZ2 LYS A 30 10.067 0.613 10.874 1.00 12.11 H new ATOM 0 HZ3 LYS A 30 10.023 -1.069 10.647 1.00 12.11 H new ATOM 496 N LYS A 31 2.327 -0.157 10.192 1.00 41.10 N ATOM 497 CA LYS A 31 1.073 -0.602 10.786 1.00 35.23 C ATOM 498 C LYS A 31 -0.122 0.065 10.127 1.00 64.35 C ATOM 499 O LYS A 31 -0.134 1.286 9.958 1.00 12.21 O ATOM 500 CB LYS A 31 1.054 -0.345 12.296 1.00 33.25 C ATOM 501 CG LYS A 31 2.062 -1.198 13.088 1.00 11.05 C ATOM 502 CD LYS A 31 1.362 -1.951 14.228 1.00 32.03 C ATOM 503 CE LYS A 31 2.396 -2.660 15.098 1.00 23.14 C ATOM 504 NZ LYS A 31 1.767 -3.478 16.156 1.00 43.44 N ATOM 0 H LYS A 31 2.899 0.425 10.804 1.00 41.10 H new ATOM 0 HA LYS A 31 1.001 -1.676 10.616 1.00 35.23 H new ATOM 0 HB2 LYS A 31 1.264 0.709 12.478 1.00 33.25 H new ATOM 0 HB3 LYS A 31 0.051 -0.541 12.675 1.00 33.25 H new ATOM 0 HG2 LYS A 31 2.547 -1.910 12.420 1.00 11.05 H new ATOM 0 HG3 LYS A 31 2.845 -0.559 13.495 1.00 11.05 H new ATOM 0 HD2 LYS A 31 0.782 -1.254 14.833 1.00 32.03 H new ATOM 0 HD3 LYS A 31 0.660 -2.677 13.818 1.00 32.03 H new ATOM 0 HE2 LYS A 31 3.021 -3.297 14.471 1.00 23.14 H new ATOM 0 HE3 LYS A 31 3.053 -1.920 15.555 1.00 23.14 H new ATOM 0 HZ1 LYS A 31 2.506 -3.941 16.722 1.00 43.44 H new ATOM 0 HZ2 LYS A 31 1.191 -2.868 16.771 1.00 43.44 H new ATOM 0 HZ3 LYS A 31 1.160 -4.202 15.721 1.00 43.44 H new ATOM 518 N GLY A 32 -1.157 -0.726 9.832 1.00 34.52 N ATOM 519 CA GLY A 32 -2.382 -0.239 9.211 1.00 42.15 C ATOM 520 C GLY A 32 -3.045 0.850 10.056 1.00 12.21 C ATOM 521 O GLY A 32 -3.646 1.772 9.518 1.00 63.55 O ATOM 0 H GLY A 32 -1.164 -1.728 10.020 1.00 34.52 H new ATOM 0 HA2 GLY A 32 -2.157 0.155 8.220 1.00 42.15 H new ATOM 0 HA3 GLY A 32 -3.076 -1.068 9.074 1.00 42.15 H new ATOM 525 N ASN A 33 -2.906 0.792 11.382 1.00 35.52 N ATOM 526 CA ASN A 33 -3.493 1.769 12.294 1.00 31.33 C ATOM 527 C ASN A 33 -3.019 3.203 12.051 1.00 32.04 C ATOM 528 O ASN A 33 -3.739 4.126 12.414 1.00 0.20 O ATOM 529 CB ASN A 33 -3.248 1.371 13.754 1.00 34.24 C ATOM 530 CG ASN A 33 -1.802 1.057 14.115 1.00 42.34 C ATOM 531 OD1 ASN A 33 -1.527 -0.046 14.563 1.00 24.44 O ATOM 532 ND2 ASN A 33 -0.854 1.958 13.921 1.00 52.23 N ATOM 0 H ASN A 33 -2.378 0.058 11.855 1.00 35.52 H new ATOM 0 HA ASN A 33 -4.563 1.759 12.087 1.00 31.33 H new ATOM 0 HB2 ASN A 33 -3.597 2.180 14.396 1.00 34.24 H new ATOM 0 HB3 ASN A 33 -3.859 0.497 13.981 1.00 34.24 H new ATOM 0 HD21 ASN A 33 0.116 1.735 14.146 1.00 52.23 H new ATOM 0 HD22 ASN A 33 -1.092 2.876 13.547 1.00 52.23 H new ATOM 539 N GLN A 34 -1.835 3.417 11.469 1.00 14.34 N ATOM 540 CA GLN A 34 -1.303 4.753 11.184 1.00 51.33 C ATOM 541 C GLN A 34 -1.168 5.002 9.679 1.00 3.34 C ATOM 542 O GLN A 34 -0.734 6.084 9.285 1.00 13.54 O ATOM 543 CB GLN A 34 -0.002 5.007 11.971 1.00 53.04 C ATOM 544 CG GLN A 34 1.117 3.981 11.756 1.00 24.52 C ATOM 545 CD GLN A 34 2.203 4.146 12.815 1.00 43.31 C ATOM 546 OE1 GLN A 34 2.101 3.596 13.908 1.00 35.31 O ATOM 547 NE2 GLN A 34 3.260 4.885 12.537 1.00 3.03 N ATOM 0 H GLN A 34 -1.214 2.661 11.180 1.00 14.34 H new ATOM 0 HA GLN A 34 -2.023 5.492 11.536 1.00 51.33 H new ATOM 0 HB2 GLN A 34 0.377 5.993 11.701 1.00 53.04 H new ATOM 0 HB3 GLN A 34 -0.242 5.038 13.034 1.00 53.04 H new ATOM 0 HG2 GLN A 34 0.707 2.972 11.801 1.00 24.52 H new ATOM 0 HG3 GLN A 34 1.547 4.106 10.762 1.00 24.52 H new ATOM 0 HE21 GLN A 34 3.340 5.340 11.627 1.00 3.03 H new ATOM 0 HE22 GLN A 34 3.998 5.002 13.232 1.00 3.03 H new ATOM 556 N VAL A 35 -1.510 4.013 8.846 1.00 73.34 N ATOM 557 CA VAL A 35 -1.409 4.137 7.394 1.00 43.14 C ATOM 558 C VAL A 35 -2.291 5.285 6.887 1.00 11.33 C ATOM 559 O VAL A 35 -3.340 5.592 7.455 1.00 34.13 O ATOM 560 CB VAL A 35 -1.655 2.764 6.710 1.00 1.21 C ATOM 561 CG1 VAL A 35 -3.126 2.400 6.441 1.00 14.02 C ATOM 562 CG2 VAL A 35 -0.892 2.641 5.384 1.00 74.55 C ATOM 0 H VAL A 35 -1.863 3.109 9.161 1.00 73.34 H new ATOM 0 HA VAL A 35 -0.394 4.416 7.112 1.00 43.14 H new ATOM 0 HB VAL A 35 -1.282 2.060 7.453 1.00 1.21 H new ATOM 0 HG11 VAL A 35 -3.177 1.422 5.962 1.00 14.02 H new ATOM 0 HG12 VAL A 35 -3.672 2.371 7.384 1.00 14.02 H new ATOM 0 HG13 VAL A 35 -3.572 3.149 5.787 1.00 14.02 H new ATOM 0 HG21 VAL A 35 -1.091 1.666 4.939 1.00 74.55 H new ATOM 0 HG22 VAL A 35 -1.219 3.426 4.702 1.00 74.55 H new ATOM 0 HG23 VAL A 35 0.177 2.744 5.569 1.00 74.55 H new ATOM 572 N LYS A 36 -1.856 5.946 5.819 1.00 4.21 N ATOM 573 CA LYS A 36 -2.540 7.057 5.159 1.00 22.23 C ATOM 574 C LYS A 36 -2.512 6.764 3.662 1.00 73.53 C ATOM 575 O LYS A 36 -1.624 6.026 3.225 1.00 12.31 O ATOM 576 CB LYS A 36 -1.801 8.382 5.426 1.00 64.22 C ATOM 577 CG LYS A 36 -2.245 9.115 6.700 1.00 74.53 C ATOM 578 CD LYS A 36 -1.452 10.426 6.797 1.00 13.20 C ATOM 579 CE LYS A 36 -1.827 11.337 7.966 1.00 31.22 C ATOM 580 NZ LYS A 36 -3.026 12.166 7.729 1.00 20.24 N ATOM 0 H LYS A 36 -0.973 5.711 5.366 1.00 4.21 H new ATOM 0 HA LYS A 36 -3.559 7.154 5.535 1.00 22.23 H new ATOM 0 HB2 LYS A 36 -0.732 8.180 5.493 1.00 64.22 H new ATOM 0 HB3 LYS A 36 -1.948 9.043 4.572 1.00 64.22 H new ATOM 0 HG2 LYS A 36 -3.315 9.319 6.668 1.00 74.53 H new ATOM 0 HG3 LYS A 36 -2.065 8.495 7.578 1.00 74.53 H new ATOM 0 HD2 LYS A 36 -0.392 10.184 6.873 1.00 13.20 H new ATOM 0 HD3 LYS A 36 -1.587 10.981 5.869 1.00 13.20 H new ATOM 0 HE2 LYS A 36 -1.993 10.723 8.851 1.00 31.22 H new ATOM 0 HE3 LYS A 36 -0.984 11.992 8.186 1.00 31.22 H new ATOM 0 HZ1 LYS A 36 -3.213 12.754 8.566 1.00 20.24 H new ATOM 0 HZ2 LYS A 36 -2.867 12.779 6.904 1.00 20.24 H new ATOM 0 HZ3 LYS A 36 -3.844 11.550 7.549 1.00 20.24 H new ATOM 594 N PRO A 37 -3.445 7.296 2.862 1.00 73.13 N ATOM 595 CA PRO A 37 -3.436 7.060 1.430 1.00 53.44 C ATOM 596 C PRO A 37 -2.265 7.829 0.815 1.00 53.31 C ATOM 597 O PRO A 37 -2.048 8.993 1.138 1.00 5.41 O ATOM 598 CB PRO A 37 -4.790 7.559 0.926 1.00 74.11 C ATOM 599 CG PRO A 37 -5.166 8.644 1.930 1.00 24.13 C ATOM 600 CD PRO A 37 -4.545 8.169 3.244 1.00 50.32 C ATOM 0 HA PRO A 37 -3.302 6.012 1.161 1.00 53.44 H new ATOM 0 HB2 PRO A 37 -4.720 7.956 -0.087 1.00 74.11 H new ATOM 0 HB3 PRO A 37 -5.530 6.759 0.904 1.00 74.11 H new ATOM 0 HG2 PRO A 37 -4.773 9.616 1.632 1.00 24.13 H new ATOM 0 HG3 PRO A 37 -6.247 8.750 2.016 1.00 24.13 H new ATOM 0 HD2 PRO A 37 -4.189 9.012 3.837 1.00 50.32 H new ATOM 0 HD3 PRO A 37 -5.275 7.636 3.853 1.00 50.32 H new ATOM 608 N LEU A 38 -1.501 7.170 -0.052 1.00 65.34 N ATOM 609 CA LEU A 38 -0.352 7.757 -0.751 1.00 62.11 C ATOM 610 C LEU A 38 -0.805 8.310 -2.107 1.00 14.12 C ATOM 611 O LEU A 38 -1.930 8.032 -2.544 1.00 42.03 O ATOM 612 CB LEU A 38 0.753 6.714 -1.003 1.00 60.13 C ATOM 613 CG LEU A 38 1.662 6.294 0.166 1.00 1.34 C ATOM 614 CD1 LEU A 38 2.258 7.485 0.926 1.00 23.34 C ATOM 615 CD2 LEU A 38 0.952 5.341 1.123 1.00 23.10 C ATOM 0 H LEU A 38 -1.663 6.193 -0.296 1.00 65.34 H new ATOM 0 HA LEU A 38 0.047 8.550 -0.118 1.00 62.11 H new ATOM 0 HB2 LEU A 38 0.274 5.814 -1.388 1.00 60.13 H new ATOM 0 HB3 LEU A 38 1.394 7.098 -1.797 1.00 60.13 H new ATOM 0 HG LEU A 38 2.497 5.762 -0.289 1.00 1.34 H new ATOM 0 HD11 LEU A 38 2.888 7.120 1.737 1.00 23.34 H new ATOM 0 HD12 LEU A 38 2.857 8.089 0.244 1.00 23.34 H new ATOM 0 HD13 LEU A 38 1.453 8.094 1.338 1.00 23.34 H new ATOM 0 HD21 LEU A 38 1.628 5.069 1.934 1.00 23.10 H new ATOM 0 HD22 LEU A 38 0.069 5.830 1.535 1.00 23.10 H new ATOM 0 HD23 LEU A 38 0.651 4.442 0.585 1.00 23.10 H new ATOM 627 N LYS A 39 0.048 9.107 -2.760 1.00 31.40 N ATOM 628 CA LYS A 39 -0.204 9.692 -4.079 1.00 24.50 C ATOM 629 C LYS A 39 -0.640 8.593 -5.063 1.00 74.14 C ATOM 630 O LYS A 39 -0.273 7.416 -4.921 1.00 12.11 O ATOM 631 CB LYS A 39 1.107 10.370 -4.539 1.00 62.10 C ATOM 632 CG LYS A 39 1.141 10.932 -5.980 1.00 62.52 C ATOM 633 CD LYS A 39 2.256 10.257 -6.785 1.00 45.21 C ATOM 634 CE LYS A 39 2.336 10.690 -8.251 1.00 50.12 C ATOM 635 NZ LYS A 39 3.065 11.963 -8.428 1.00 24.41 N ATOM 0 H LYS A 39 0.955 9.369 -2.375 1.00 31.40 H new ATOM 0 HA LYS A 39 -1.007 10.428 -4.039 1.00 24.50 H new ATOM 0 HB2 LYS A 39 1.324 11.188 -3.852 1.00 62.10 H new ATOM 0 HB3 LYS A 39 1.916 9.646 -4.439 1.00 62.10 H new ATOM 0 HG2 LYS A 39 0.180 10.765 -6.466 1.00 62.52 H new ATOM 0 HG3 LYS A 39 1.302 12.010 -5.954 1.00 62.52 H new ATOM 0 HD2 LYS A 39 3.212 10.468 -6.305 1.00 45.21 H new ATOM 0 HD3 LYS A 39 2.111 9.177 -6.746 1.00 45.21 H new ATOM 0 HE2 LYS A 39 2.829 9.909 -8.830 1.00 50.12 H new ATOM 0 HE3 LYS A 39 1.327 10.794 -8.651 1.00 50.12 H new ATOM 0 HZ1 LYS A 39 3.090 12.211 -9.438 1.00 24.41 H new ATOM 0 HZ2 LYS A 39 2.582 12.716 -7.899 1.00 24.41 H new ATOM 0 HZ3 LYS A 39 4.037 11.859 -8.073 1.00 24.41 H new ATOM 649 N ILE A 40 -1.474 8.947 -6.039 1.00 33.23 N ATOM 650 CA ILE A 40 -1.942 8.014 -7.053 1.00 22.33 C ATOM 651 C ILE A 40 -0.714 7.509 -7.817 1.00 0.04 C ATOM 652 O ILE A 40 0.194 8.284 -8.112 1.00 13.12 O ATOM 653 CB ILE A 40 -2.975 8.693 -7.980 1.00 1.21 C ATOM 654 CG1 ILE A 40 -3.637 7.707 -8.963 1.00 60.02 C ATOM 655 CG2 ILE A 40 -2.362 9.830 -8.813 1.00 45.02 C ATOM 656 CD1 ILE A 40 -4.479 6.630 -8.276 1.00 33.30 C ATOM 0 H ILE A 40 -1.843 9.892 -6.146 1.00 33.23 H new ATOM 0 HA ILE A 40 -2.455 7.166 -6.599 1.00 22.33 H new ATOM 0 HB ILE A 40 -3.726 9.092 -7.298 1.00 1.21 H new ATOM 0 HG12 ILE A 40 -4.269 8.265 -9.654 1.00 60.02 H new ATOM 0 HG13 ILE A 40 -2.862 7.225 -9.559 1.00 60.02 H new ATOM 0 HG21 ILE A 40 -3.131 10.272 -9.446 1.00 45.02 H new ATOM 0 HG22 ILE A 40 -1.958 10.592 -8.147 1.00 45.02 H new ATOM 0 HG23 ILE A 40 -1.562 9.433 -9.437 1.00 45.02 H new ATOM 0 HD11 ILE A 40 -4.914 5.973 -9.029 1.00 33.30 H new ATOM 0 HD12 ILE A 40 -3.847 6.047 -7.606 1.00 33.30 H new ATOM 0 HD13 ILE A 40 -5.277 7.102 -7.703 1.00 33.30 H new ATOM 668 N GLY A 41 -0.664 6.212 -8.109 1.00 25.03 N ATOM 669 CA GLY A 41 0.449 5.639 -8.847 1.00 3.41 C ATOM 670 C GLY A 41 1.803 5.726 -8.155 1.00 4.31 C ATOM 671 O GLY A 41 2.797 5.528 -8.843 1.00 40.34 O ATOM 0 H GLY A 41 -1.384 5.540 -7.844 1.00 25.03 H new ATOM 0 HA2 GLY A 41 0.229 4.591 -9.048 1.00 3.41 H new ATOM 0 HA3 GLY A 41 0.520 6.140 -9.812 1.00 3.41 H new ATOM 675 N ILE A 42 1.877 5.959 -6.835 1.00 44.31 N ATOM 676 CA ILE A 42 3.151 6.041 -6.117 1.00 14.44 C ATOM 677 C ILE A 42 4.038 4.810 -6.393 1.00 64.23 C ATOM 678 O ILE A 42 5.259 4.915 -6.358 1.00 62.03 O ATOM 679 CB ILE A 42 2.918 6.301 -4.610 1.00 14.30 C ATOM 680 CG1 ILE A 42 4.251 6.667 -3.935 1.00 32.14 C ATOM 681 CG2 ILE A 42 2.236 5.114 -3.905 1.00 74.20 C ATOM 682 CD1 ILE A 42 4.106 7.389 -2.591 1.00 20.20 C ATOM 0 H ILE A 42 1.058 6.095 -6.242 1.00 44.31 H new ATOM 0 HA ILE A 42 3.707 6.898 -6.498 1.00 14.44 H new ATOM 0 HB ILE A 42 2.230 7.141 -4.517 1.00 14.30 H new ATOM 0 HG12 ILE A 42 4.829 5.755 -3.783 1.00 32.14 H new ATOM 0 HG13 ILE A 42 4.825 7.299 -4.612 1.00 32.14 H new ATOM 0 HG21 ILE A 42 2.096 5.349 -2.850 1.00 74.20 H new ATOM 0 HG22 ILE A 42 1.267 4.925 -4.366 1.00 74.20 H new ATOM 0 HG23 ILE A 42 2.862 4.227 -3.999 1.00 74.20 H new ATOM 0 HD11 ILE A 42 5.094 7.608 -2.187 1.00 20.20 H new ATOM 0 HD12 ILE A 42 3.558 8.320 -2.735 1.00 20.20 H new ATOM 0 HD13 ILE A 42 3.562 6.753 -1.893 1.00 20.20 H new ATOM 694 N PHE A 43 3.450 3.635 -6.668 1.00 73.45 N ATOM 695 CA PHE A 43 4.210 2.424 -6.970 1.00 64.22 C ATOM 696 C PHE A 43 5.039 2.643 -8.237 1.00 45.34 C ATOM 697 O PHE A 43 6.148 2.137 -8.314 1.00 63.22 O ATOM 698 CB PHE A 43 3.276 1.205 -7.138 1.00 62.51 C ATOM 699 CG PHE A 43 3.669 0.237 -8.250 1.00 62.45 C ATOM 700 CD1 PHE A 43 3.087 0.378 -9.526 1.00 70.55 C ATOM 701 CD2 PHE A 43 4.671 -0.737 -8.055 1.00 22.53 C ATOM 702 CE1 PHE A 43 3.517 -0.426 -10.594 1.00 64.42 C ATOM 703 CE2 PHE A 43 5.114 -1.525 -9.131 1.00 21.23 C ATOM 704 CZ PHE A 43 4.541 -1.365 -10.400 1.00 32.24 C ATOM 0 H PHE A 43 2.439 3.504 -6.686 1.00 73.45 H new ATOM 0 HA PHE A 43 4.877 2.215 -6.134 1.00 64.22 H new ATOM 0 HB2 PHE A 43 3.245 0.658 -6.196 1.00 62.51 H new ATOM 0 HB3 PHE A 43 2.265 1.565 -7.331 1.00 62.51 H new ATOM 0 HD1 PHE A 43 2.307 1.108 -9.683 1.00 70.55 H new ATOM 0 HD2 PHE A 43 5.100 -0.878 -7.074 1.00 22.53 H new ATOM 0 HE1 PHE A 43 3.059 -0.321 -11.566 1.00 64.42 H new ATOM 0 HE2 PHE A 43 5.896 -2.254 -8.980 1.00 21.23 H new ATOM 0 HZ PHE A 43 4.888 -1.965 -11.229 1.00 32.24 H new ATOM 714 N ASP A 44 4.487 3.324 -9.244 1.00 21.53 N ATOM 715 CA ASP A 44 5.154 3.604 -10.513 1.00 63.54 C ATOM 716 C ASP A 44 6.306 4.582 -10.304 1.00 34.10 C ATOM 717 O ASP A 44 7.278 4.579 -11.050 1.00 63.15 O ATOM 718 CB ASP A 44 4.149 4.177 -11.525 1.00 10.04 C ATOM 719 CG ASP A 44 4.453 3.711 -12.946 1.00 33.35 C ATOM 720 OD1 ASP A 44 3.729 2.814 -13.430 1.00 52.11 O ATOM 721 OD2 ASP A 44 5.401 4.196 -13.608 1.00 4.23 O ATOM 0 H ASP A 44 3.542 3.704 -9.196 1.00 21.53 H new ATOM 0 HA ASP A 44 5.557 2.671 -10.907 1.00 63.54 H new ATOM 0 HB2 ASP A 44 3.140 3.871 -11.249 1.00 10.04 H new ATOM 0 HB3 ASP A 44 4.173 5.266 -11.486 1.00 10.04 H new ATOM 726 N ASP A 45 6.187 5.441 -9.300 1.00 14.20 N ATOM 727 CA ASP A 45 7.191 6.431 -8.953 1.00 45.32 C ATOM 728 C ASP A 45 8.351 5.737 -8.227 1.00 51.54 C ATOM 729 O ASP A 45 9.514 5.996 -8.526 1.00 44.42 O ATOM 730 CB ASP A 45 6.526 7.501 -8.074 1.00 65.31 C ATOM 731 CG ASP A 45 6.644 8.902 -8.662 1.00 65.44 C ATOM 732 OD1 ASP A 45 7.047 9.813 -7.916 1.00 1.45 O ATOM 733 OD2 ASP A 45 6.188 9.111 -9.813 1.00 50.51 O ATOM 0 H ASP A 45 5.369 5.467 -8.691 1.00 14.20 H new ATOM 0 HA ASP A 45 7.597 6.913 -9.842 1.00 45.32 H new ATOM 0 HB2 ASP A 45 5.472 7.254 -7.943 1.00 65.31 H new ATOM 0 HB3 ASP A 45 6.982 7.487 -7.084 1.00 65.31 H new ATOM 738 N LEU A 46 8.014 4.829 -7.300 1.00 14.21 N ATOM 739 CA LEU A 46 8.906 4.029 -6.458 1.00 50.51 C ATOM 740 C LEU A 46 9.596 2.904 -7.224 1.00 54.12 C ATOM 741 O LEU A 46 10.757 2.618 -6.941 1.00 22.24 O ATOM 742 CB LEU A 46 8.071 3.461 -5.290 1.00 54.43 C ATOM 743 CG LEU A 46 8.663 2.359 -4.381 1.00 1.41 C ATOM 744 CD1 LEU A 46 8.703 0.973 -5.035 1.00 54.31 C ATOM 745 CD2 LEU A 46 10.026 2.670 -3.754 1.00 65.34 C ATOM 0 H LEU A 46 7.034 4.621 -7.107 1.00 14.21 H new ATOM 0 HA LEU A 46 9.707 4.670 -6.090 1.00 50.51 H new ATOM 0 HB2 LEU A 46 7.799 4.299 -4.648 1.00 54.43 H new ATOM 0 HB3 LEU A 46 7.146 3.070 -5.713 1.00 54.43 H new ATOM 0 HG LEU A 46 7.943 2.343 -3.563 1.00 1.41 H new ATOM 0 HD11 LEU A 46 9.131 0.253 -4.337 1.00 54.31 H new ATOM 0 HD12 LEU A 46 7.691 0.666 -5.298 1.00 54.31 H new ATOM 0 HD13 LEU A 46 9.316 1.013 -5.935 1.00 54.31 H new ATOM 0 HD21 LEU A 46 10.343 1.829 -3.138 1.00 65.34 H new ATOM 0 HD22 LEU A 46 10.759 2.839 -4.543 1.00 65.34 H new ATOM 0 HD23 LEU A 46 9.946 3.564 -3.135 1.00 65.34 H new ATOM 757 N ILE A 47 8.942 2.262 -8.202 1.00 32.11 N ATOM 758 CA ILE A 47 9.553 1.164 -8.956 1.00 45.00 C ATOM 759 C ILE A 47 10.863 1.653 -9.600 1.00 33.31 C ATOM 760 O ILE A 47 11.798 0.882 -9.792 1.00 22.21 O ATOM 761 CB ILE A 47 8.551 0.584 -9.988 1.00 64.31 C ATOM 762 CG1 ILE A 47 8.804 -0.906 -10.275 1.00 45.23 C ATOM 763 CG2 ILE A 47 8.456 1.412 -11.281 1.00 33.31 C ATOM 764 CD1 ILE A 47 9.782 -1.200 -11.409 1.00 4.10 C ATOM 0 H ILE A 47 7.989 2.486 -8.488 1.00 32.11 H new ATOM 0 HA ILE A 47 9.804 0.344 -8.283 1.00 45.00 H new ATOM 0 HB ILE A 47 7.572 0.658 -9.515 1.00 64.31 H new ATOM 0 HG12 ILE A 47 9.178 -1.375 -9.365 1.00 45.23 H new ATOM 0 HG13 ILE A 47 7.851 -1.380 -10.509 1.00 45.23 H new ATOM 0 HG21 ILE A 47 7.738 0.949 -11.957 1.00 33.31 H new ATOM 0 HG22 ILE A 47 8.129 2.424 -11.042 1.00 33.31 H new ATOM 0 HG23 ILE A 47 9.434 1.450 -11.761 1.00 33.31 H new ATOM 0 HD11 ILE A 47 9.888 -2.278 -11.527 1.00 4.10 H new ATOM 0 HD12 ILE A 47 9.404 -0.769 -12.336 1.00 4.10 H new ATOM 0 HD13 ILE A 47 10.753 -0.763 -11.175 1.00 4.10 H new ATOM 776 N ASP A 48 10.943 2.954 -9.888 1.00 22.24 N ATOM 777 CA ASP A 48 12.099 3.600 -10.487 1.00 54.23 C ATOM 778 C ASP A 48 13.343 3.397 -9.612 1.00 64.23 C ATOM 779 O ASP A 48 14.468 3.300 -10.101 1.00 73.54 O ATOM 780 CB ASP A 48 11.778 5.089 -10.627 1.00 30.03 C ATOM 781 CG ASP A 48 12.597 5.733 -11.736 1.00 11.43 C ATOM 782 OD1 ASP A 48 13.748 6.141 -11.481 1.00 20.22 O ATOM 783 OD2 ASP A 48 12.088 5.817 -12.881 1.00 4.31 O ATOM 0 H ASP A 48 10.177 3.602 -9.702 1.00 22.24 H new ATOM 0 HA ASP A 48 12.312 3.165 -11.464 1.00 54.23 H new ATOM 0 HB2 ASP A 48 10.716 5.215 -10.837 1.00 30.03 H new ATOM 0 HB3 ASP A 48 11.979 5.596 -9.683 1.00 30.03 H new ATOM 788 N PHE A 49 13.147 3.391 -8.290 1.00 12.31 N ATOM 789 CA PHE A 49 14.189 3.174 -7.287 1.00 33.45 C ATOM 790 C PHE A 49 14.522 1.676 -7.233 1.00 12.42 C ATOM 791 O PHE A 49 15.666 1.303 -6.986 1.00 52.24 O ATOM 792 CB PHE A 49 13.738 3.697 -5.911 1.00 42.14 C ATOM 793 CG PHE A 49 14.809 3.999 -4.864 1.00 61.43 C ATOM 794 CD1 PHE A 49 14.397 4.536 -3.631 1.00 1.52 C ATOM 795 CD2 PHE A 49 16.192 3.833 -5.099 1.00 1.02 C ATOM 796 CE1 PHE A 49 15.337 4.964 -2.681 1.00 4.44 C ATOM 797 CE2 PHE A 49 17.135 4.229 -4.133 1.00 0.00 C ATOM 798 CZ PHE A 49 16.708 4.816 -2.931 1.00 71.13 C ATOM 0 H PHE A 49 12.227 3.542 -7.877 1.00 12.31 H new ATOM 0 HA PHE A 49 15.086 3.728 -7.563 1.00 33.45 H new ATOM 0 HB2 PHE A 49 13.165 4.610 -6.074 1.00 42.14 H new ATOM 0 HB3 PHE A 49 13.054 2.964 -5.485 1.00 42.14 H new ATOM 0 HD1 PHE A 49 13.343 4.620 -3.412 1.00 1.52 H new ATOM 0 HD2 PHE A 49 16.528 3.398 -6.029 1.00 1.02 H new ATOM 0 HE1 PHE A 49 15.003 5.408 -1.755 1.00 4.44 H new ATOM 0 HE2 PHE A 49 18.189 4.081 -4.316 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.432 5.152 -2.203 1.00 71.13 H new ATOM 808 N TYR A 50 13.533 0.794 -7.444 1.00 43.02 N ATOM 809 CA TYR A 50 13.755 -0.654 -7.439 1.00 72.12 C ATOM 810 C TYR A 50 14.715 -1.004 -8.584 1.00 0.22 C ATOM 811 O TYR A 50 15.495 -1.943 -8.468 1.00 44.13 O ATOM 812 CB TYR A 50 12.420 -1.426 -7.512 1.00 24.35 C ATOM 813 CG TYR A 50 12.475 -2.822 -8.120 1.00 50.11 C ATOM 814 CD1 TYR A 50 12.324 -3.975 -7.323 1.00 35.22 C ATOM 815 CD2 TYR A 50 12.621 -2.964 -9.514 1.00 3.12 C ATOM 816 CE1 TYR A 50 12.275 -5.249 -7.924 1.00 11.30 C ATOM 817 CE2 TYR A 50 12.673 -4.235 -10.103 1.00 12.12 C ATOM 818 CZ TYR A 50 12.457 -5.387 -9.321 1.00 13.43 C ATOM 819 OH TYR A 50 12.405 -6.612 -9.916 1.00 2.42 O ATOM 0 H TYR A 50 12.566 1.065 -7.621 1.00 43.02 H new ATOM 0 HA TYR A 50 14.215 -0.961 -6.500 1.00 72.12 H new ATOM 0 HB2 TYR A 50 12.018 -1.509 -6.502 1.00 24.35 H new ATOM 0 HB3 TYR A 50 11.712 -0.830 -8.089 1.00 24.35 H new ATOM 0 HD1 TYR A 50 12.246 -3.882 -6.250 1.00 35.22 H new ATOM 0 HD2 TYR A 50 12.694 -2.084 -10.136 1.00 3.12 H new ATOM 0 HE1 TYR A 50 12.098 -6.124 -7.316 1.00 11.30 H new ATOM 0 HE2 TYR A 50 12.879 -4.331 -11.159 1.00 12.12 H new ATOM 0 HH TYR A 50 12.551 -6.514 -10.880 1.00 2.42 H new ATOM 829 N GLU A 51 14.683 -0.244 -9.681 1.00 72.40 N ATOM 830 CA GLU A 51 15.561 -0.463 -10.826 1.00 61.34 C ATOM 831 C GLU A 51 17.005 -0.106 -10.456 1.00 22.40 C ATOM 832 O GLU A 51 17.943 -0.557 -11.115 1.00 55.14 O ATOM 833 CB GLU A 51 15.084 0.365 -12.022 1.00 64.21 C ATOM 834 CG GLU A 51 13.814 -0.244 -12.616 1.00 34.50 C ATOM 835 CD GLU A 51 14.114 -1.422 -13.550 1.00 31.25 C ATOM 836 OE1 GLU A 51 14.509 -1.213 -14.725 1.00 10.35 O ATOM 837 OE2 GLU A 51 13.952 -2.591 -13.131 1.00 64.10 O ATOM 0 H GLU A 51 14.044 0.543 -9.798 1.00 72.40 H new ATOM 0 HA GLU A 51 15.528 -1.516 -11.105 1.00 61.34 H new ATOM 0 HB2 GLU A 51 14.891 1.391 -11.709 1.00 64.21 H new ATOM 0 HB3 GLU A 51 15.866 0.405 -12.781 1.00 64.21 H new ATOM 0 HG2 GLU A 51 13.163 -0.580 -11.809 1.00 34.50 H new ATOM 0 HG3 GLU A 51 13.269 0.523 -13.166 1.00 34.50 H new ATOM 844 N ARG A 52 17.204 0.703 -9.406 1.00 52.54 N ATOM 845 CA ARG A 52 18.533 1.086 -8.946 1.00 2.10 C ATOM 846 C ARG A 52 19.172 -0.106 -8.227 1.00 21.11 C ATOM 847 O ARG A 52 20.395 -0.143 -8.107 1.00 61.03 O ATOM 848 CB ARG A 52 18.485 2.343 -8.056 1.00 63.22 C ATOM 849 CG ARG A 52 19.741 3.220 -8.232 1.00 45.31 C ATOM 850 CD ARG A 52 19.687 4.103 -9.496 1.00 34.40 C ATOM 851 NE ARG A 52 18.757 5.220 -9.295 1.00 70.41 N ATOM 852 CZ ARG A 52 18.551 6.305 -10.047 1.00 60.43 C ATOM 853 NH1 ARG A 52 19.111 6.447 -11.244 1.00 43.42 N ATOM 854 NH2 ARG A 52 17.760 7.252 -9.560 1.00 54.34 N ATOM 0 H ARG A 52 16.445 1.106 -8.857 1.00 52.54 H new ATOM 0 HA ARG A 52 19.150 1.350 -9.805 1.00 2.10 H new ATOM 0 HB2 ARG A 52 17.597 2.927 -8.300 1.00 63.22 H new ATOM 0 HB3 ARG A 52 18.394 2.045 -7.011 1.00 63.22 H new ATOM 0 HG2 ARG A 52 19.859 3.857 -7.355 1.00 45.31 H new ATOM 0 HG3 ARG A 52 20.621 2.579 -8.281 1.00 45.31 H new ATOM 0 HD2 ARG A 52 20.682 4.485 -9.724 1.00 34.40 H new ATOM 0 HD3 ARG A 52 19.371 3.507 -10.352 1.00 34.40 H new ATOM 0 HE ARG A 52 18.181 5.159 -8.455 1.00 70.41 H new ATOM 0 HH11 ARG A 52 19.718 5.715 -11.613 1.00 43.42 H new ATOM 0 HH12 ARG A 52 18.934 7.288 -11.794 1.00 43.42 H new ATOM 0 HH21 ARG A 52 17.333 7.137 -8.641 1.00 54.34 H new ATOM 0 HH22 ARG A 52 17.579 8.095 -10.105 1.00 54.34 H new ATOM 868 N LEU A 53 18.388 -1.061 -7.707 1.00 0.25 N ATOM 869 CA LEU A 53 18.903 -2.245 -7.051 1.00 50.44 C ATOM 870 C LEU A 53 19.446 -3.084 -8.199 1.00 61.01 C ATOM 871 O LEU A 53 18.694 -3.512 -9.078 1.00 4.24 O ATOM 872 CB LEU A 53 17.787 -3.014 -6.327 1.00 73.14 C ATOM 873 CG LEU A 53 16.793 -2.131 -5.555 1.00 34.54 C ATOM 874 CD1 LEU A 53 15.654 -3.016 -5.040 1.00 25.34 C ATOM 875 CD2 LEU A 53 17.491 -1.297 -4.481 1.00 73.45 C ATOM 0 H LEU A 53 17.369 -1.021 -7.737 1.00 0.25 H new ATOM 0 HA LEU A 53 19.649 -2.004 -6.294 1.00 50.44 H new ATOM 0 HB2 LEU A 53 17.235 -3.602 -7.060 1.00 73.14 H new ATOM 0 HB3 LEU A 53 18.243 -3.718 -5.631 1.00 73.14 H new ATOM 0 HG LEU A 53 16.351 -1.385 -6.215 1.00 34.54 H new ATOM 0 HD11 LEU A 53 14.939 -2.405 -4.489 1.00 25.34 H new ATOM 0 HD12 LEU A 53 15.152 -3.491 -5.883 1.00 25.34 H new ATOM 0 HD13 LEU A 53 16.059 -3.783 -4.380 1.00 25.34 H new ATOM 0 HD21 LEU A 53 16.754 -0.687 -3.958 1.00 73.45 H new ATOM 0 HD22 LEU A 53 17.984 -1.959 -3.770 1.00 73.45 H new ATOM 0 HD23 LEU A 53 18.233 -0.649 -4.948 1.00 73.45 H new ATOM 887 N ASP A 54 20.745 -3.334 -8.188 1.00 73.21 N ATOM 888 CA ASP A 54 21.418 -4.110 -9.230 1.00 55.23 C ATOM 889 C ASP A 54 21.036 -5.597 -9.209 1.00 1.42 C ATOM 890 O ASP A 54 21.175 -6.290 -10.213 1.00 73.44 O ATOM 891 CB ASP A 54 22.920 -3.885 -9.092 1.00 23.30 C ATOM 892 CG ASP A 54 23.732 -4.774 -10.027 1.00 54.14 C ATOM 893 OD1 ASP A 54 23.638 -4.581 -11.263 1.00 25.41 O ATOM 894 OD2 ASP A 54 24.508 -5.619 -9.516 1.00 60.34 O ATOM 0 H ASP A 54 21.371 -3.004 -7.453 1.00 73.21 H new ATOM 0 HA ASP A 54 21.087 -3.762 -10.208 1.00 55.23 H new ATOM 0 HB2 ASP A 54 23.148 -2.840 -9.301 1.00 23.30 H new ATOM 0 HB3 ASP A 54 23.220 -4.077 -8.062 1.00 23.30 H new ATOM 899 N THR A 55 20.501 -6.092 -8.093 1.00 62.21 N ATOM 900 CA THR A 55 20.073 -7.476 -7.924 1.00 73.32 C ATOM 901 C THR A 55 18.697 -7.464 -7.246 1.00 14.24 C ATOM 902 O THR A 55 18.608 -7.526 -6.018 1.00 32.24 O ATOM 903 CB THR A 55 21.141 -8.295 -7.177 1.00 24.20 C ATOM 904 OG1 THR A 55 21.620 -7.612 -6.031 1.00 63.11 O ATOM 905 CG2 THR A 55 22.350 -8.612 -8.063 1.00 61.34 C ATOM 0 H THR A 55 20.350 -5.523 -7.260 1.00 62.21 H new ATOM 0 HA THR A 55 19.966 -7.979 -8.885 1.00 73.32 H new ATOM 0 HB THR A 55 20.644 -9.220 -6.885 1.00 24.20 H new ATOM 0 HG1 THR A 55 20.862 -7.261 -5.519 1.00 63.11 H new ATOM 0 HG21 THR A 55 23.077 -9.191 -7.493 1.00 61.34 H new ATOM 0 HG22 THR A 55 22.025 -9.189 -8.929 1.00 61.34 H new ATOM 0 HG23 THR A 55 22.809 -7.682 -8.398 1.00 61.34 H new ATOM 913 N PRO A 56 17.600 -7.340 -8.011 1.00 52.12 N ATOM 914 CA PRO A 56 16.254 -7.307 -7.460 1.00 52.35 C ATOM 915 C PRO A 56 15.828 -8.681 -6.895 1.00 50.21 C ATOM 916 O PRO A 56 15.714 -9.640 -7.664 1.00 15.40 O ATOM 917 CB PRO A 56 15.372 -6.874 -8.626 1.00 20.21 C ATOM 918 CG PRO A 56 16.113 -7.316 -9.884 1.00 44.52 C ATOM 919 CD PRO A 56 17.576 -7.239 -9.467 1.00 21.23 C ATOM 0 HA PRO A 56 16.177 -6.624 -6.614 1.00 52.35 H new ATOM 0 HB2 PRO A 56 14.388 -7.338 -8.567 1.00 20.21 H new ATOM 0 HB3 PRO A 56 15.216 -5.795 -8.621 1.00 20.21 H new ATOM 0 HG2 PRO A 56 15.832 -8.325 -10.184 1.00 44.52 H new ATOM 0 HG3 PRO A 56 15.899 -6.661 -10.729 1.00 44.52 H new ATOM 0 HD2 PRO A 56 18.151 -8.046 -9.921 1.00 21.23 H new ATOM 0 HD3 PRO A 56 18.025 -6.302 -9.798 1.00 21.23 H new ATOM 927 N PRO A 57 15.553 -8.819 -5.582 1.00 53.23 N ATOM 928 CA PRO A 57 15.146 -10.085 -4.986 1.00 4.52 C ATOM 929 C PRO A 57 13.730 -10.483 -5.416 1.00 14.40 C ATOM 930 O PRO A 57 13.532 -11.527 -6.043 1.00 44.40 O ATOM 931 CB PRO A 57 15.265 -9.886 -3.472 1.00 2.15 C ATOM 932 CG PRO A 57 15.091 -8.379 -3.272 1.00 33.35 C ATOM 933 CD PRO A 57 15.649 -7.786 -4.564 1.00 41.31 C ATOM 0 HA PRO A 57 15.778 -10.908 -5.319 1.00 4.52 H new ATOM 0 HB2 PRO A 57 14.501 -10.449 -2.936 1.00 2.15 H new ATOM 0 HB3 PRO A 57 16.231 -10.227 -3.101 1.00 2.15 H new ATOM 0 HG2 PRO A 57 14.045 -8.111 -3.125 1.00 33.35 H new ATOM 0 HG3 PRO A 57 15.637 -8.024 -2.398 1.00 33.35 H new ATOM 0 HD2 PRO A 57 15.084 -6.901 -4.858 1.00 41.31 H new ATOM 0 HD3 PRO A 57 16.684 -7.473 -4.429 1.00 41.31 H new ATOM 941 N PHE A 58 12.718 -9.710 -5.025 1.00 42.31 N ATOM 942 CA PHE A 58 11.335 -9.990 -5.380 1.00 12.42 C ATOM 943 C PHE A 58 11.035 -9.356 -6.736 1.00 12.14 C ATOM 944 O PHE A 58 11.846 -8.598 -7.268 1.00 2.13 O ATOM 945 CB PHE A 58 10.414 -9.515 -4.256 1.00 21.22 C ATOM 946 CG PHE A 58 10.678 -10.245 -2.949 1.00 41.10 C ATOM 947 CD1 PHE A 58 10.412 -11.623 -2.849 1.00 2.15 C ATOM 948 CD2 PHE A 58 11.237 -9.571 -1.848 1.00 71.15 C ATOM 949 CE1 PHE A 58 10.713 -12.319 -1.664 1.00 73.24 C ATOM 950 CE2 PHE A 58 11.489 -10.259 -0.652 1.00 33.13 C ATOM 951 CZ PHE A 58 11.242 -11.637 -0.558 1.00 31.43 C ATOM 0 H PHE A 58 12.838 -8.873 -4.454 1.00 42.31 H new ATOM 0 HA PHE A 58 11.158 -11.060 -5.486 1.00 12.42 H new ATOM 0 HB2 PHE A 58 10.550 -8.444 -4.106 1.00 21.22 H new ATOM 0 HB3 PHE A 58 9.376 -9.666 -4.551 1.00 21.22 H new ATOM 0 HD1 PHE A 58 9.975 -12.149 -3.685 1.00 2.15 H new ATOM 0 HD2 PHE A 58 11.473 -8.520 -1.924 1.00 71.15 H new ATOM 0 HE1 PHE A 58 10.536 -13.383 -1.605 1.00 73.24 H new ATOM 0 HE2 PHE A 58 11.876 -9.724 0.203 1.00 33.13 H new ATOM 0 HZ PHE A 58 11.457 -12.168 0.358 1.00 31.43 H new ATOM 961 N SER A 59 9.890 -9.694 -7.324 1.00 51.52 N ATOM 962 CA SER A 59 9.519 -9.166 -8.622 1.00 2.24 C ATOM 963 C SER A 59 8.743 -7.858 -8.541 1.00 12.23 C ATOM 964 O SER A 59 8.146 -7.519 -7.514 1.00 32.50 O ATOM 965 CB SER A 59 8.742 -10.255 -9.376 1.00 11.11 C ATOM 966 OG SER A 59 7.461 -10.439 -8.813 1.00 10.10 O ATOM 0 H SER A 59 9.206 -10.332 -6.917 1.00 51.52 H new ATOM 0 HA SER A 59 10.426 -8.910 -9.169 1.00 2.24 H new ATOM 0 HB2 SER A 59 8.646 -9.978 -10.426 1.00 11.11 H new ATOM 0 HB3 SER A 59 9.297 -11.193 -9.343 1.00 11.11 H new ATOM 0 HG SER A 59 6.983 -11.136 -9.309 1.00 10.10 H new ATOM 972 N LYS A 60 8.688 -7.155 -9.677 1.00 32.32 N ATOM 973 CA LYS A 60 7.942 -5.904 -9.827 1.00 21.31 C ATOM 974 C LYS A 60 6.471 -6.223 -9.548 1.00 1.43 C ATOM 975 O LYS A 60 5.739 -5.412 -8.971 1.00 33.40 O ATOM 976 CB LYS A 60 8.161 -5.343 -11.247 1.00 1.03 C ATOM 977 CG LYS A 60 9.641 -5.028 -11.562 1.00 14.51 C ATOM 978 CD LYS A 60 9.800 -4.436 -12.974 1.00 71.41 C ATOM 979 CE LYS A 60 11.146 -3.750 -13.262 1.00 22.45 C ATOM 980 NZ LYS A 60 12.231 -4.640 -13.731 1.00 24.33 N ATOM 0 H LYS A 60 9.168 -7.444 -10.529 1.00 32.32 H new ATOM 0 HA LYS A 60 8.281 -5.138 -9.130 1.00 21.31 H new ATOM 0 HB2 LYS A 60 7.788 -6.063 -11.975 1.00 1.03 H new ATOM 0 HB3 LYS A 60 7.571 -4.434 -11.365 1.00 1.03 H new ATOM 0 HG2 LYS A 60 10.030 -4.325 -10.825 1.00 14.51 H new ATOM 0 HG3 LYS A 60 10.234 -5.939 -11.478 1.00 14.51 H new ATOM 0 HD2 LYS A 60 9.658 -5.235 -13.701 1.00 71.41 H new ATOM 0 HD3 LYS A 60 9.002 -3.712 -13.136 1.00 71.41 H new ATOM 0 HE2 LYS A 60 10.985 -2.976 -14.013 1.00 22.45 H new ATOM 0 HE3 LYS A 60 11.479 -3.248 -12.353 1.00 22.45 H new ATOM 0 HZ1 LYS A 60 13.143 -4.146 -13.653 1.00 24.33 H new ATOM 0 HZ2 LYS A 60 12.252 -5.500 -13.146 1.00 24.33 H new ATOM 0 HZ3 LYS A 60 12.062 -4.900 -14.724 1.00 24.33 H new ATOM 994 N LYS A 61 6.035 -7.421 -9.958 1.00 62.02 N ATOM 995 CA LYS A 61 4.685 -7.905 -9.756 1.00 23.45 C ATOM 996 C LYS A 61 4.464 -8.073 -8.251 1.00 33.23 C ATOM 997 O LYS A 61 3.521 -7.483 -7.735 1.00 42.22 O ATOM 998 CB LYS A 61 4.466 -9.200 -10.555 1.00 64.51 C ATOM 999 CG LYS A 61 2.974 -9.446 -10.832 1.00 64.21 C ATOM 1000 CD LYS A 61 2.571 -9.260 -12.305 1.00 44.24 C ATOM 1001 CE LYS A 61 2.729 -7.837 -12.858 1.00 2.12 C ATOM 1002 NZ LYS A 61 1.856 -7.614 -14.033 1.00 43.14 N ATOM 0 H LYS A 61 6.632 -8.086 -10.449 1.00 62.02 H new ATOM 0 HA LYS A 61 3.945 -7.196 -10.128 1.00 23.45 H new ATOM 0 HB2 LYS A 61 5.008 -9.142 -11.499 1.00 64.51 H new ATOM 0 HB3 LYS A 61 4.878 -10.044 -10.002 1.00 64.51 H new ATOM 0 HG2 LYS A 61 2.720 -10.460 -10.522 1.00 64.21 H new ATOM 0 HG3 LYS A 61 2.384 -8.767 -10.216 1.00 64.21 H new ATOM 0 HD2 LYS A 61 3.169 -9.937 -12.915 1.00 44.24 H new ATOM 0 HD3 LYS A 61 1.530 -9.562 -12.420 1.00 44.24 H new ATOM 0 HE2 LYS A 61 2.486 -7.114 -12.080 1.00 2.12 H new ATOM 0 HE3 LYS A 61 3.769 -7.667 -13.138 1.00 2.12 H new ATOM 0 HZ1 LYS A 61 1.986 -6.643 -14.383 1.00 43.14 H new ATOM 0 HZ2 LYS A 61 2.105 -8.289 -14.784 1.00 43.14 H new ATOM 0 HZ3 LYS A 61 0.862 -7.753 -13.759 1.00 43.14 H new ATOM 1016 N SER A 62 5.331 -8.810 -7.545 1.00 20.14 N ATOM 1017 CA SER A 62 5.233 -9.038 -6.105 1.00 32.05 C ATOM 1018 C SER A 62 5.184 -7.724 -5.321 1.00 70.13 C ATOM 1019 O SER A 62 4.294 -7.565 -4.488 1.00 43.41 O ATOM 1020 CB SER A 62 6.405 -9.897 -5.619 1.00 31.32 C ATOM 1021 OG SER A 62 6.291 -11.235 -6.068 1.00 44.34 O ATOM 0 H SER A 62 6.135 -9.272 -7.971 1.00 20.14 H new ATOM 0 HA SER A 62 4.298 -9.568 -5.923 1.00 32.05 H new ATOM 0 HB2 SER A 62 7.342 -9.471 -5.977 1.00 31.32 H new ATOM 0 HB3 SER A 62 6.442 -9.880 -4.530 1.00 31.32 H new ATOM 0 HG SER A 62 6.614 -11.299 -6.991 1.00 44.34 H new ATOM 1027 N LEU A 63 6.064 -6.763 -5.641 1.00 13.42 N ATOM 1028 CA LEU A 63 6.135 -5.463 -4.968 1.00 30.45 C ATOM 1029 C LEU A 63 4.752 -4.805 -4.987 1.00 63.55 C ATOM 1030 O LEU A 63 4.218 -4.437 -3.940 1.00 73.53 O ATOM 1031 CB LEU A 63 7.221 -4.590 -5.638 1.00 2.41 C ATOM 1032 CG LEU A 63 7.414 -3.207 -4.959 1.00 30.13 C ATOM 1033 CD1 LEU A 63 8.719 -3.118 -4.161 1.00 2.31 C ATOM 1034 CD2 LEU A 63 7.400 -2.041 -5.956 1.00 60.35 C ATOM 0 H LEU A 63 6.754 -6.871 -6.384 1.00 13.42 H new ATOM 0 HA LEU A 63 6.422 -5.587 -3.924 1.00 30.45 H new ATOM 0 HB2 LEU A 63 8.169 -5.128 -5.622 1.00 2.41 H new ATOM 0 HB3 LEU A 63 6.958 -4.438 -6.685 1.00 2.41 H new ATOM 0 HG LEU A 63 6.561 -3.121 -4.286 1.00 30.13 H new ATOM 0 HD11 LEU A 63 8.802 -2.130 -3.708 1.00 2.31 H new ATOM 0 HD12 LEU A 63 8.720 -3.877 -3.379 1.00 2.31 H new ATOM 0 HD13 LEU A 63 9.565 -3.284 -4.828 1.00 2.31 H new ATOM 0 HD21 LEU A 63 7.539 -1.102 -5.420 1.00 60.35 H new ATOM 0 HD22 LEU A 63 8.206 -2.170 -6.678 1.00 60.35 H new ATOM 0 HD23 LEU A 63 6.444 -2.021 -6.479 1.00 60.35 H new ATOM 1046 N ARG A 64 4.139 -4.704 -6.167 1.00 15.41 N ATOM 1047 CA ARG A 64 2.820 -4.104 -6.319 1.00 2.53 C ATOM 1048 C ARG A 64 1.699 -4.946 -5.708 1.00 51.43 C ATOM 1049 O ARG A 64 0.809 -4.383 -5.067 1.00 71.43 O ATOM 1050 CB ARG A 64 2.580 -3.874 -7.813 1.00 53.11 C ATOM 1051 CG ARG A 64 1.276 -3.141 -8.137 1.00 45.45 C ATOM 1052 CD ARG A 64 1.084 -1.873 -7.302 1.00 20.15 C ATOM 1053 NE ARG A 64 0.359 -0.845 -8.050 1.00 10.52 N ATOM 1054 CZ ARG A 64 -0.250 0.221 -7.532 1.00 14.44 C ATOM 1055 NH1 ARG A 64 -0.434 0.336 -6.220 1.00 53.22 N ATOM 1056 NH2 ARG A 64 -0.655 1.171 -8.355 1.00 13.34 N ATOM 0 H ARG A 64 4.545 -5.037 -7.041 1.00 15.41 H new ATOM 0 HA ARG A 64 2.802 -3.162 -5.771 1.00 2.53 H new ATOM 0 HB2 ARG A 64 3.415 -3.303 -8.219 1.00 53.11 H new ATOM 0 HB3 ARG A 64 2.577 -4.838 -8.321 1.00 53.11 H new ATOM 0 HG2 ARG A 64 1.265 -2.879 -9.195 1.00 45.45 H new ATOM 0 HG3 ARG A 64 0.435 -3.813 -7.967 1.00 45.45 H new ATOM 0 HD2 ARG A 64 0.537 -2.115 -6.391 1.00 20.15 H new ATOM 0 HD3 ARG A 64 2.056 -1.486 -6.997 1.00 20.15 H new ATOM 0 HE ARG A 64 0.316 -0.955 -9.063 1.00 10.52 H new ATOM 0 HH11 ARG A 64 -0.107 -0.399 -5.593 1.00 53.22 H new ATOM 0 HH12 ARG A 64 -0.902 1.159 -5.841 1.00 53.22 H new ATOM 0 HH21 ARG A 64 -0.499 1.077 -9.359 1.00 13.34 H new ATOM 0 HH22 ARG A 64 -1.124 1.999 -7.987 1.00 13.34 H new ATOM 1070 N GLU A 65 1.712 -6.259 -5.930 1.00 40.55 N ATOM 1071 CA GLU A 65 0.713 -7.198 -5.432 1.00 3.33 C ATOM 1072 C GLU A 65 0.565 -7.090 -3.922 1.00 42.12 C ATOM 1073 O GLU A 65 -0.556 -7.026 -3.413 1.00 40.13 O ATOM 1074 CB GLU A 65 1.109 -8.638 -5.810 1.00 73.04 C ATOM 1075 CG GLU A 65 0.556 -9.059 -7.173 1.00 45.15 C ATOM 1076 CD GLU A 65 -0.971 -9.100 -7.147 1.00 2.43 C ATOM 1077 OE1 GLU A 65 -1.608 -8.317 -7.885 1.00 44.23 O ATOM 1078 OE2 GLU A 65 -1.542 -9.912 -6.376 1.00 52.24 O ATOM 0 H GLU A 65 2.443 -6.712 -6.479 1.00 40.55 H new ATOM 0 HA GLU A 65 -0.243 -6.949 -5.892 1.00 3.33 H new ATOM 0 HB2 GLU A 65 2.196 -8.722 -5.821 1.00 73.04 H new ATOM 0 HB3 GLU A 65 0.744 -9.324 -5.046 1.00 73.04 H new ATOM 0 HG2 GLU A 65 0.893 -8.361 -7.939 1.00 45.15 H new ATOM 0 HG3 GLU A 65 0.947 -10.040 -7.442 1.00 45.15 H new ATOM 1085 N ALA A 66 1.692 -7.081 -3.216 1.00 64.45 N ATOM 1086 CA ALA A 66 1.728 -6.984 -1.775 1.00 73.31 C ATOM 1087 C ALA A 66 1.194 -5.635 -1.306 1.00 43.13 C ATOM 1088 O ALA A 66 0.398 -5.588 -0.372 1.00 62.10 O ATOM 1089 CB ALA A 66 3.173 -7.158 -1.342 1.00 25.12 C ATOM 0 H ALA A 66 2.616 -7.142 -3.643 1.00 64.45 H new ATOM 0 HA ALA A 66 1.097 -7.754 -1.332 1.00 73.31 H new ATOM 0 HB1 ALA A 66 3.238 -7.090 -0.256 1.00 25.12 H new ATOM 0 HB2 ALA A 66 3.535 -8.133 -1.667 1.00 25.12 H new ATOM 0 HB3 ALA A 66 3.784 -6.376 -1.792 1.00 25.12 H new ATOM 1095 N LEU A 67 1.586 -4.548 -1.979 1.00 45.33 N ATOM 1096 CA LEU A 67 1.167 -3.190 -1.639 1.00 0.21 C ATOM 1097 C LEU A 67 -0.364 -3.099 -1.611 1.00 30.34 C ATOM 1098 O LEU A 67 -0.926 -2.458 -0.722 1.00 52.34 O ATOM 1099 CB LEU A 67 1.804 -2.199 -2.635 1.00 24.31 C ATOM 1100 CG LEU A 67 2.210 -0.843 -2.027 1.00 20.51 C ATOM 1101 CD1 LEU A 67 3.014 -0.049 -3.063 1.00 42.35 C ATOM 1102 CD2 LEU A 67 1.006 -0.009 -1.586 1.00 4.23 C ATOM 0 H LEU A 67 2.211 -4.590 -2.784 1.00 45.33 H new ATOM 0 HA LEU A 67 1.514 -2.926 -0.640 1.00 0.21 H new ATOM 0 HB2 LEU A 67 2.687 -2.664 -3.073 1.00 24.31 H new ATOM 0 HB3 LEU A 67 1.101 -2.021 -3.448 1.00 24.31 H new ATOM 0 HG LEU A 67 2.807 -1.051 -1.139 1.00 20.51 H new ATOM 0 HD11 LEU A 67 3.305 0.912 -2.639 1.00 42.35 H new ATOM 0 HD12 LEU A 67 3.908 -0.610 -3.338 1.00 42.35 H new ATOM 0 HD13 LEU A 67 2.402 0.116 -3.950 1.00 42.35 H new ATOM 0 HD21 LEU A 67 1.352 0.935 -1.165 1.00 4.23 H new ATOM 0 HD22 LEU A 67 0.366 0.189 -2.446 1.00 4.23 H new ATOM 0 HD23 LEU A 67 0.441 -0.557 -0.832 1.00 4.23 H new ATOM 1114 N SER A 68 -1.050 -3.786 -2.533 1.00 64.35 N ATOM 1115 CA SER A 68 -2.506 -3.792 -2.598 1.00 64.30 C ATOM 1116 C SER A 68 -3.096 -4.308 -1.279 1.00 35.11 C ATOM 1117 O SER A 68 -4.142 -3.825 -0.849 1.00 23.11 O ATOM 1118 CB SER A 68 -2.950 -4.663 -3.781 1.00 31.33 C ATOM 1119 OG SER A 68 -4.334 -4.518 -4.043 1.00 54.52 O ATOM 0 H SER A 68 -0.604 -4.353 -3.254 1.00 64.35 H new ATOM 0 HA SER A 68 -2.873 -2.777 -2.749 1.00 64.30 H new ATOM 0 HB2 SER A 68 -2.380 -4.390 -4.669 1.00 31.33 H new ATOM 0 HB3 SER A 68 -2.727 -5.708 -3.568 1.00 31.33 H new ATOM 0 HG SER A 68 -4.584 -5.084 -4.803 1.00 54.52 H new ATOM 1125 N TYR A 69 -2.443 -5.276 -0.627 1.00 45.11 N ATOM 1126 CA TYR A 69 -2.907 -5.844 0.629 1.00 75.02 C ATOM 1127 C TYR A 69 -2.903 -4.798 1.749 1.00 43.04 C ATOM 1128 O TYR A 69 -3.735 -4.889 2.658 1.00 62.12 O ATOM 1129 CB TYR A 69 -2.131 -7.127 0.979 1.00 1.34 C ATOM 1130 CG TYR A 69 -3.055 -8.307 1.214 1.00 60.31 C ATOM 1131 CD1 TYR A 69 -3.218 -8.849 2.503 1.00 61.44 C ATOM 1132 CD2 TYR A 69 -3.795 -8.830 0.135 1.00 41.31 C ATOM 1133 CE1 TYR A 69 -4.136 -9.895 2.720 1.00 24.13 C ATOM 1134 CE2 TYR A 69 -4.710 -9.881 0.347 1.00 63.20 C ATOM 1135 CZ TYR A 69 -4.891 -10.417 1.645 1.00 74.34 C ATOM 1136 OH TYR A 69 -5.789 -11.419 1.874 1.00 42.32 O ATOM 0 H TYR A 69 -1.572 -5.686 -0.964 1.00 45.11 H new ATOM 0 HA TYR A 69 -3.947 -6.146 0.510 1.00 75.02 H new ATOM 0 HB2 TYR A 69 -1.440 -7.364 0.170 1.00 1.34 H new ATOM 0 HB3 TYR A 69 -1.530 -6.954 1.872 1.00 1.34 H new ATOM 0 HD1 TYR A 69 -2.638 -8.462 3.327 1.00 61.44 H new ATOM 0 HD2 TYR A 69 -3.661 -8.425 -0.857 1.00 41.31 H new ATOM 0 HE1 TYR A 69 -4.264 -10.300 3.713 1.00 24.13 H new ATOM 0 HE2 TYR A 69 -5.275 -10.279 -0.483 1.00 63.20 H new ATOM 0 HH TYR A 69 -6.227 -11.665 1.032 1.00 42.32 H new ATOM 1146 N TYR A 70 -1.962 -3.846 1.746 1.00 21.13 N ATOM 1147 CA TYR A 70 -1.911 -2.783 2.753 1.00 25.33 C ATOM 1148 C TYR A 70 -3.057 -1.819 2.449 1.00 5.41 C ATOM 1149 O TYR A 70 -3.812 -1.463 3.355 1.00 72.54 O ATOM 1150 CB TYR A 70 -0.555 -2.057 2.765 1.00 63.42 C ATOM 1151 CG TYR A 70 0.444 -2.553 3.800 1.00 2.52 C ATOM 1152 CD1 TYR A 70 0.517 -3.913 4.158 1.00 53.23 C ATOM 1153 CD2 TYR A 70 1.326 -1.637 4.408 1.00 72.51 C ATOM 1154 CE1 TYR A 70 1.468 -4.349 5.094 1.00 22.21 C ATOM 1155 CE2 TYR A 70 2.316 -2.079 5.306 1.00 42.22 C ATOM 1156 CZ TYR A 70 2.401 -3.446 5.650 1.00 33.51 C ATOM 1157 OH TYR A 70 3.296 -3.897 6.573 1.00 61.15 O ATOM 0 H TYR A 70 -1.219 -3.792 1.049 1.00 21.13 H new ATOM 0 HA TYR A 70 -2.021 -3.211 3.749 1.00 25.33 H new ATOM 0 HB2 TYR A 70 -0.104 -2.149 1.777 1.00 63.42 H new ATOM 0 HB3 TYR A 70 -0.732 -0.995 2.936 1.00 63.42 H new ATOM 0 HD1 TYR A 70 -0.162 -4.624 3.710 1.00 53.23 H new ATOM 0 HD2 TYR A 70 1.241 -0.584 4.182 1.00 72.51 H new ATOM 0 HE1 TYR A 70 1.486 -5.387 5.392 1.00 22.21 H new ATOM 0 HE2 TYR A 70 3.012 -1.371 5.733 1.00 42.22 H new ATOM 0 HH TYR A 70 3.871 -3.157 6.860 1.00 61.15 H new ATOM 1167 N SER A 71 -3.226 -1.440 1.180 1.00 34.30 N ATOM 1168 CA SER A 71 -4.296 -0.542 0.745 1.00 42.00 C ATOM 1169 C SER A 71 -5.686 -1.145 1.015 1.00 22.41 C ATOM 1170 O SER A 71 -6.658 -0.405 1.132 1.00 45.43 O ATOM 1171 CB SER A 71 -4.125 -0.228 -0.744 1.00 43.42 C ATOM 1172 OG SER A 71 -2.854 0.354 -0.985 1.00 33.05 O ATOM 0 H SER A 71 -2.619 -1.750 0.421 1.00 34.30 H new ATOM 0 HA SER A 71 -4.227 0.381 1.321 1.00 42.00 H new ATOM 0 HB2 SER A 71 -4.230 -1.142 -1.329 1.00 43.42 H new ATOM 0 HB3 SER A 71 -4.911 0.452 -1.071 1.00 43.42 H new ATOM 0 HG SER A 71 -2.759 0.547 -1.941 1.00 33.05 H new ATOM 1178 N ALA A 72 -5.790 -2.470 1.153 1.00 13.31 N ATOM 1179 CA ALA A 72 -7.024 -3.195 1.431 1.00 64.34 C ATOM 1180 C ALA A 72 -7.099 -3.622 2.908 1.00 35.52 C ATOM 1181 O ALA A 72 -7.940 -4.453 3.262 1.00 62.11 O ATOM 1182 CB ALA A 72 -7.125 -4.389 0.473 1.00 3.54 C ATOM 0 H ALA A 72 -4.982 -3.087 1.070 1.00 13.31 H new ATOM 0 HA ALA A 72 -7.880 -2.542 1.262 1.00 64.34 H new ATOM 0 HB1 ALA A 72 -8.045 -4.939 0.672 1.00 3.54 H new ATOM 0 HB2 ALA A 72 -7.133 -4.030 -0.556 1.00 3.54 H new ATOM 0 HB3 ALA A 72 -6.269 -5.048 0.621 1.00 3.54 H new ATOM 1188 N SER A 73 -6.198 -3.131 3.769 1.00 62.10 N ATOM 1189 CA SER A 73 -6.215 -3.477 5.189 1.00 3.10 C ATOM 1190 C SER A 73 -7.516 -2.962 5.828 1.00 62.22 C ATOM 1191 O SER A 73 -8.078 -1.968 5.355 1.00 14.14 O ATOM 1192 CB SER A 73 -4.975 -2.911 5.902 1.00 20.14 C ATOM 1193 OG SER A 73 -4.881 -1.502 5.837 1.00 2.21 O ATOM 0 H SER A 73 -5.449 -2.492 3.503 1.00 62.10 H new ATOM 0 HA SER A 73 -6.183 -4.561 5.296 1.00 3.10 H new ATOM 0 HB2 SER A 73 -4.995 -3.218 6.948 1.00 20.14 H new ATOM 0 HB3 SER A 73 -4.080 -3.348 5.459 1.00 20.14 H new ATOM 0 HG SER A 73 -4.410 -1.243 5.018 1.00 2.21 H new ATOM 1199 N PRO A 74 -7.982 -3.563 6.937 1.00 13.22 N ATOM 1200 CA PRO A 74 -9.208 -3.114 7.576 1.00 51.34 C ATOM 1201 C PRO A 74 -9.074 -1.684 8.080 1.00 62.43 C ATOM 1202 O PRO A 74 -10.035 -0.928 8.006 1.00 42.24 O ATOM 1203 CB PRO A 74 -9.470 -4.066 8.745 1.00 22.44 C ATOM 1204 CG PRO A 74 -8.118 -4.713 9.005 1.00 40.34 C ATOM 1205 CD PRO A 74 -7.447 -4.723 7.633 1.00 71.31 C ATOM 0 HA PRO A 74 -10.033 -3.123 6.864 1.00 51.34 H new ATOM 0 HB2 PRO A 74 -9.831 -3.530 9.623 1.00 22.44 H new ATOM 0 HB3 PRO A 74 -10.226 -4.809 8.492 1.00 22.44 H new ATOM 0 HG2 PRO A 74 -7.536 -4.145 9.731 1.00 40.34 H new ATOM 0 HG3 PRO A 74 -8.228 -5.722 9.404 1.00 40.34 H new ATOM 0 HD2 PRO A 74 -6.363 -4.661 7.725 1.00 71.31 H new ATOM 0 HD3 PRO A 74 -7.669 -5.643 7.093 1.00 71.31 H new ATOM 1213 N ALA A 75 -7.898 -1.308 8.590 1.00 13.44 N ATOM 1214 CA ALA A 75 -7.682 0.018 9.116 1.00 12.34 C ATOM 1215 C ALA A 75 -7.709 1.046 8.000 1.00 51.42 C ATOM 1216 O ALA A 75 -8.391 2.053 8.158 1.00 24.53 O ATOM 1217 CB ALA A 75 -6.381 0.024 9.901 1.00 63.12 C ATOM 0 H ALA A 75 -7.082 -1.918 8.644 1.00 13.44 H new ATOM 0 HA ALA A 75 -8.486 0.296 9.797 1.00 12.34 H new ATOM 0 HB1 ALA A 75 -6.204 1.021 10.305 1.00 63.12 H new ATOM 0 HB2 ALA A 75 -6.447 -0.693 10.719 1.00 63.12 H new ATOM 0 HB3 ALA A 75 -5.557 -0.252 9.242 1.00 63.12 H new ATOM 1223 N TYR A 76 -7.042 0.781 6.866 1.00 64.11 N ATOM 1224 CA TYR A 76 -7.031 1.730 5.761 1.00 54.20 C ATOM 1225 C TYR A 76 -8.468 2.057 5.362 1.00 43.25 C ATOM 1226 O TYR A 76 -8.793 3.242 5.242 1.00 3.11 O ATOM 1227 CB TYR A 76 -6.249 1.180 4.545 1.00 3.22 C ATOM 1228 CG TYR A 76 -6.276 2.058 3.293 1.00 3.12 C ATOM 1229 CD1 TYR A 76 -5.122 2.743 2.854 1.00 3.22 C ATOM 1230 CD2 TYR A 76 -7.463 2.172 2.540 1.00 61.45 C ATOM 1231 CE1 TYR A 76 -5.168 3.553 1.704 1.00 33.24 C ATOM 1232 CE2 TYR A 76 -7.528 3.001 1.409 1.00 35.52 C ATOM 1233 CZ TYR A 76 -6.382 3.713 0.999 1.00 34.11 C ATOM 1234 OH TYR A 76 -6.454 4.566 -0.058 1.00 71.21 O ATOM 0 H TYR A 76 -6.512 -0.074 6.698 1.00 64.11 H new ATOM 0 HA TYR A 76 -6.524 2.637 6.091 1.00 54.20 H new ATOM 0 HB2 TYR A 76 -5.210 1.031 4.840 1.00 3.22 H new ATOM 0 HB3 TYR A 76 -6.652 0.200 4.289 1.00 3.22 H new ATOM 0 HD1 TYR A 76 -4.198 2.645 3.404 1.00 3.22 H new ATOM 0 HD2 TYR A 76 -8.337 1.612 2.839 1.00 61.45 H new ATOM 0 HE1 TYR A 76 -4.275 4.053 1.360 1.00 33.24 H new ATOM 0 HE2 TYR A 76 -8.451 3.093 0.856 1.00 35.52 H new ATOM 0 HH TYR A 76 -7.362 4.553 -0.427 1.00 71.21 H new ATOM 1244 N LEU A 77 -9.307 1.032 5.176 1.00 30.42 N ATOM 1245 CA LEU A 77 -10.690 1.190 4.744 1.00 40.44 C ATOM 1246 C LEU A 77 -11.598 1.789 5.813 1.00 33.13 C ATOM 1247 O LEU A 77 -12.304 2.753 5.538 1.00 51.42 O ATOM 1248 CB LEU A 77 -11.257 -0.171 4.299 1.00 12.10 C ATOM 1249 CG LEU A 77 -10.432 -0.914 3.225 1.00 53.32 C ATOM 1250 CD1 LEU A 77 -10.787 -2.396 3.274 1.00 44.43 C ATOM 1251 CD2 LEU A 77 -10.618 -0.354 1.820 1.00 42.13 C ATOM 0 H LEU A 77 -9.036 0.060 5.324 1.00 30.42 H new ATOM 0 HA LEU A 77 -10.673 1.894 3.912 1.00 40.44 H new ATOM 0 HB2 LEU A 77 -11.343 -0.813 5.175 1.00 12.10 H new ATOM 0 HB3 LEU A 77 -12.266 -0.017 3.916 1.00 12.10 H new ATOM 0 HG LEU A 77 -9.377 -0.767 3.456 1.00 53.32 H new ATOM 0 HD11 LEU A 77 -10.211 -2.933 2.520 1.00 44.43 H new ATOM 0 HD12 LEU A 77 -10.553 -2.794 4.261 1.00 44.43 H new ATOM 0 HD13 LEU A 77 -11.851 -2.522 3.075 1.00 44.43 H new ATOM 0 HD21 LEU A 77 -10.009 -0.924 1.118 1.00 42.13 H new ATOM 0 HD22 LEU A 77 -11.667 -0.429 1.534 1.00 42.13 H new ATOM 0 HD23 LEU A 77 -10.311 0.692 1.801 1.00 42.13 H new ATOM 1263 N SER A 78 -11.557 1.270 7.043 1.00 45.34 N ATOM 1264 CA SER A 78 -12.403 1.757 8.132 1.00 52.53 C ATOM 1265 C SER A 78 -12.077 3.213 8.492 1.00 20.31 C ATOM 1266 O SER A 78 -12.980 3.989 8.819 1.00 35.34 O ATOM 1267 CB SER A 78 -12.230 0.850 9.368 1.00 72.42 C ATOM 1268 OG SER A 78 -13.393 0.828 10.184 1.00 32.35 O ATOM 0 H SER A 78 -10.939 0.504 7.310 1.00 45.34 H new ATOM 0 HA SER A 78 -13.440 1.725 7.798 1.00 52.53 H new ATOM 0 HB2 SER A 78 -11.997 -0.164 9.043 1.00 72.42 H new ATOM 0 HB3 SER A 78 -11.382 1.199 9.957 1.00 72.42 H new ATOM 0 HG SER A 78 -13.241 0.241 10.954 1.00 32.35 H new ATOM 1274 N CYS A 79 -10.804 3.596 8.431 1.00 43.53 N ATOM 1275 CA CYS A 79 -10.327 4.928 8.772 1.00 75.14 C ATOM 1276 C CYS A 79 -10.370 5.905 7.593 1.00 31.31 C ATOM 1277 O CYS A 79 -9.907 7.031 7.777 1.00 74.42 O ATOM 1278 CB CYS A 79 -8.921 4.766 9.382 1.00 21.34 C ATOM 1279 SG CYS A 79 -8.234 6.259 10.153 1.00 54.21 S ATOM 0 H CYS A 79 -10.057 2.968 8.134 1.00 43.53 H new ATOM 0 HA CYS A 79 -10.994 5.387 9.501 1.00 75.14 H new ATOM 0 HB2 CYS A 79 -8.956 3.974 10.130 1.00 21.34 H new ATOM 0 HB3 CYS A 79 -8.239 4.435 8.599 1.00 21.34 H new ATOM 0 HG CYS A 79 -8.661 7.311 9.519 1.00 54.21 H new ATOM 1285 N GLN A 80 -10.899 5.535 6.417 1.00 2.02 N ATOM 1286 CA GLN A 80 -10.940 6.437 5.273 1.00 21.44 C ATOM 1287 C GLN A 80 -11.540 7.796 5.592 1.00 53.01 C ATOM 1288 O GLN A 80 -12.729 7.914 5.886 1.00 12.13 O ATOM 1289 CB GLN A 80 -11.690 5.849 4.065 1.00 45.34 C ATOM 1290 CG GLN A 80 -10.798 4.972 3.179 1.00 51.51 C ATOM 1291 CD GLN A 80 -9.528 5.684 2.730 1.00 54.22 C ATOM 1292 OE1 GLN A 80 -9.556 6.529 1.836 1.00 23.32 O ATOM 1293 NE2 GLN A 80 -8.396 5.378 3.332 1.00 2.43 N ATOM 0 H GLN A 80 -11.303 4.615 6.241 1.00 2.02 H new ATOM 0 HA GLN A 80 -9.889 6.568 5.015 1.00 21.44 H new ATOM 0 HB2 GLN A 80 -12.534 5.258 4.420 1.00 45.34 H new ATOM 0 HB3 GLN A 80 -12.100 6.663 3.467 1.00 45.34 H new ATOM 0 HG2 GLN A 80 -10.528 4.068 3.725 1.00 51.51 H new ATOM 0 HG3 GLN A 80 -11.363 4.658 2.301 1.00 51.51 H new ATOM 0 HE21 GLN A 80 -8.385 4.676 4.072 1.00 2.43 H new ATOM 0 HE22 GLN A 80 -7.531 5.843 3.058 1.00 2.43 H new ATOM 1302 N LYS A 81 -10.701 8.822 5.490 1.00 2.50 N ATOM 1303 CA LYS A 81 -11.041 10.213 5.709 1.00 31.31 C ATOM 1304 C LYS A 81 -10.481 10.992 4.530 1.00 41.32 C ATOM 1305 O LYS A 81 -9.259 11.010 4.368 1.00 12.41 O ATOM 1306 CB LYS A 81 -10.528 10.764 7.042 1.00 22.41 C ATOM 1307 CG LYS A 81 -11.331 10.262 8.246 1.00 3.42 C ATOM 1308 CD LYS A 81 -12.830 10.557 8.134 1.00 31.02 C ATOM 1309 CE LYS A 81 -13.562 10.325 9.448 1.00 75.54 C ATOM 1310 NZ LYS A 81 -15.011 10.547 9.273 1.00 1.41 N ATOM 0 H LYS A 81 -9.720 8.694 5.240 1.00 2.50 H new ATOM 0 HA LYS A 81 -12.124 10.314 5.774 1.00 31.31 H new ATOM 0 HB2 LYS A 81 -9.482 10.483 7.167 1.00 22.41 H new ATOM 0 HB3 LYS A 81 -10.564 11.853 7.017 1.00 22.41 H new ATOM 0 HG2 LYS A 81 -11.185 9.187 8.350 1.00 3.42 H new ATOM 0 HG3 LYS A 81 -10.942 10.725 9.153 1.00 3.42 H new ATOM 0 HD2 LYS A 81 -12.972 11.591 7.818 1.00 31.02 H new ATOM 0 HD3 LYS A 81 -13.266 9.925 7.361 1.00 31.02 H new ATOM 0 HE2 LYS A 81 -13.383 9.308 9.798 1.00 75.54 H new ATOM 0 HE3 LYS A 81 -13.174 10.998 10.212 1.00 75.54 H new ATOM 0 HZ1 LYS A 81 -15.499 10.385 10.177 1.00 1.41 H new ATOM 0 HZ2 LYS A 81 -15.177 11.525 8.960 1.00 1.41 H new ATOM 0 HZ3 LYS A 81 -15.379 9.887 8.558 1.00 1.41 H new ATOM 1324 N PRO A 82 -11.351 11.554 3.683 1.00 73.15 N ATOM 1325 CA PRO A 82 -10.966 12.333 2.518 1.00 61.22 C ATOM 1326 C PRO A 82 -10.367 13.667 2.957 1.00 13.33 C ATOM 1327 O PRO A 82 -10.189 13.927 4.154 1.00 51.53 O ATOM 1328 CB PRO A 82 -12.259 12.522 1.722 1.00 21.04 C ATOM 1329 CG PRO A 82 -13.288 12.587 2.846 1.00 62.12 C ATOM 1330 CD PRO A 82 -12.792 11.560 3.835 1.00 14.14 C ATOM 0 HA PRO A 82 -10.203 11.843 1.913 1.00 61.22 H new ATOM 0 HB2 PRO A 82 -12.245 13.433 1.123 1.00 21.04 H new ATOM 0 HB3 PRO A 82 -12.447 11.694 1.039 1.00 21.04 H new ATOM 0 HG2 PRO A 82 -13.336 13.581 3.290 1.00 62.12 H new ATOM 0 HG3 PRO A 82 -14.290 12.349 2.488 1.00 62.12 H new ATOM 0 HD2 PRO A 82 -13.080 11.822 4.853 1.00 14.14 H new ATOM 0 HD3 PRO A 82 -13.214 10.577 3.627 1.00 14.14 H new ATOM 1338 N ASP A 83 -10.052 14.508 1.964 1.00 34.24 N ATOM 1339 CA ASP A 83 -9.454 15.845 2.169 1.00 60.54 C ATOM 1340 C ASP A 83 -8.182 15.732 3.030 1.00 22.32 C ATOM 1341 O ASP A 83 -7.796 16.636 3.765 1.00 32.34 O ATOM 1342 CB ASP A 83 -10.485 16.846 2.734 1.00 32.40 C ATOM 1343 CG ASP A 83 -11.408 17.418 1.659 1.00 43.52 C ATOM 1344 OD1 ASP A 83 -10.907 17.902 0.619 1.00 71.22 O ATOM 1345 OD2 ASP A 83 -12.641 17.419 1.853 1.00 34.20 O ATOM 0 H ASP A 83 -10.205 14.282 0.981 1.00 34.24 H new ATOM 0 HA ASP A 83 -9.152 16.249 1.203 1.00 60.54 H new ATOM 0 HB2 ASP A 83 -11.086 16.350 3.496 1.00 32.40 H new ATOM 0 HB3 ASP A 83 -9.958 17.664 3.226 1.00 32.40 H new ATOM 1350 N THR A 84 -7.520 14.581 2.926 1.00 62.10 N ATOM 1351 CA THR A 84 -6.323 14.191 3.650 1.00 11.32 C ATOM 1352 C THR A 84 -5.023 14.700 3.035 1.00 2.22 C ATOM 1353 O THR A 84 -4.053 14.801 3.779 1.00 61.24 O ATOM 1354 CB THR A 84 -6.393 12.657 3.833 1.00 10.43 C ATOM 1355 OG1 THR A 84 -5.314 12.093 4.544 1.00 72.54 O ATOM 1356 CG2 THR A 84 -6.500 11.895 2.506 1.00 74.21 C ATOM 0 H THR A 84 -7.832 13.849 2.288 1.00 62.10 H new ATOM 0 HA THR A 84 -6.301 14.676 4.626 1.00 11.32 H new ATOM 0 HB THR A 84 -7.303 12.540 4.422 1.00 10.43 H new ATOM 0 HG1 THR A 84 -5.439 11.124 4.614 1.00 72.54 H new ATOM 0 HG21 THR A 84 -6.545 10.824 2.704 1.00 74.21 H new ATOM 0 HG22 THR A 84 -7.403 12.205 1.980 1.00 74.21 H new ATOM 0 HG23 THR A 84 -5.628 12.113 1.890 1.00 74.21 H new ATOM 1364 N ALA A 85 -4.994 15.077 1.745 1.00 21.45 N ATOM 1365 CA ALA A 85 -3.790 15.570 1.061 1.00 4.24 C ATOM 1366 C ALA A 85 -2.660 14.551 1.175 1.00 12.10 C ATOM 1367 O ALA A 85 -1.887 14.519 2.140 1.00 40.52 O ATOM 1368 CB ALA A 85 -3.414 16.976 1.540 1.00 13.04 C ATOM 0 H ALA A 85 -5.817 15.047 1.143 1.00 21.45 H new ATOM 0 HA ALA A 85 -3.998 15.677 -0.004 1.00 4.24 H new ATOM 0 HB1 ALA A 85 -2.520 17.312 1.015 1.00 13.04 H new ATOM 0 HB2 ALA A 85 -4.235 17.662 1.334 1.00 13.04 H new ATOM 0 HB3 ALA A 85 -3.219 16.955 2.612 1.00 13.04 H new ATOM 1374 N ARG A 86 -2.611 13.651 0.190 1.00 33.31 N ATOM 1375 CA ARG A 86 -1.579 12.619 0.197 1.00 73.30 C ATOM 1376 C ARG A 86 -0.221 13.273 -0.072 1.00 13.43 C ATOM 1377 O ARG A 86 -0.113 14.478 -0.306 1.00 72.42 O ATOM 1378 CB ARG A 86 -1.839 11.505 -0.836 1.00 21.23 C ATOM 1379 CG ARG A 86 -3.273 10.963 -0.940 1.00 53.50 C ATOM 1380 CD ARG A 86 -4.046 11.719 -2.027 1.00 1.22 C ATOM 1381 NE ARG A 86 -4.489 10.868 -3.141 1.00 25.23 N ATOM 1382 CZ ARG A 86 -5.099 11.334 -4.239 1.00 11.34 C ATOM 1383 NH1 ARG A 86 -5.243 12.639 -4.441 1.00 64.32 N ATOM 1384 NH2 ARG A 86 -5.590 10.488 -5.126 1.00 73.31 N ATOM 0 H ARG A 86 -3.255 13.616 -0.600 1.00 33.31 H new ATOM 0 HA ARG A 86 -1.592 12.144 1.178 1.00 73.30 H new ATOM 0 HB2 ARG A 86 -1.548 11.880 -1.817 1.00 21.23 H new ATOM 0 HB3 ARG A 86 -1.178 10.669 -0.605 1.00 21.23 H new ATOM 0 HG2 ARG A 86 -3.251 9.898 -1.172 1.00 53.50 H new ATOM 0 HG3 ARG A 86 -3.781 11.070 0.019 1.00 53.50 H new ATOM 0 HD2 ARG A 86 -4.917 12.194 -1.576 1.00 1.22 H new ATOM 0 HD3 ARG A 86 -3.416 12.517 -2.420 1.00 1.22 H new ATOM 0 HE ARG A 86 -4.322 9.864 -3.074 1.00 25.23 H new ATOM 0 HH11 ARG A 86 -4.886 13.304 -3.754 1.00 64.32 H new ATOM 0 HH12 ARG A 86 -5.710 12.976 -5.283 1.00 64.32 H new ATOM 0 HH21 ARG A 86 -5.504 9.483 -4.974 1.00 73.31 H new ATOM 0 HH22 ARG A 86 -6.055 10.839 -5.963 1.00 73.31 H new ATOM 1398 N VAL A 87 0.815 12.454 -0.049 1.00 61.30 N ATOM 1399 CA VAL A 87 2.193 12.831 -0.289 1.00 73.33 C ATOM 1400 C VAL A 87 2.780 11.779 -1.222 1.00 73.14 C ATOM 1401 O VAL A 87 2.270 10.650 -1.332 1.00 42.40 O ATOM 1402 CB VAL A 87 2.972 13.021 1.032 1.00 70.54 C ATOM 1403 CG1 VAL A 87 2.722 14.416 1.619 1.00 30.44 C ATOM 1404 CG2 VAL A 87 2.583 11.982 2.090 1.00 40.50 C ATOM 0 H VAL A 87 0.711 11.459 0.148 1.00 61.30 H new ATOM 0 HA VAL A 87 2.266 13.806 -0.770 1.00 73.33 H new ATOM 0 HB VAL A 87 4.026 12.897 0.783 1.00 70.54 H new ATOM 0 HG11 VAL A 87 3.281 14.525 2.548 1.00 30.44 H new ATOM 0 HG12 VAL A 87 3.049 15.174 0.907 1.00 30.44 H new ATOM 0 HG13 VAL A 87 1.658 14.541 1.819 1.00 30.44 H new ATOM 0 HG21 VAL A 87 3.157 12.157 3.000 1.00 40.50 H new ATOM 0 HG22 VAL A 87 1.519 12.068 2.310 1.00 40.50 H new ATOM 0 HG23 VAL A 87 2.796 10.982 1.713 1.00 40.50 H new ATOM 1414 N ASP A 88 3.801 12.208 -1.945 1.00 32.14 N ATOM 1415 CA ASP A 88 4.565 11.461 -2.928 1.00 74.44 C ATOM 1416 C ASP A 88 5.855 10.902 -2.297 1.00 73.02 C ATOM 1417 O ASP A 88 6.140 11.186 -1.130 1.00 64.31 O ATOM 1418 CB ASP A 88 4.799 12.426 -4.107 1.00 42.22 C ATOM 1419 CG ASP A 88 6.239 12.914 -4.199 1.00 74.12 C ATOM 1420 OD1 ASP A 88 6.971 12.408 -5.074 1.00 74.43 O ATOM 1421 OD2 ASP A 88 6.643 13.736 -3.352 1.00 34.53 O ATOM 0 H ASP A 88 4.144 13.164 -1.851 1.00 32.14 H new ATOM 0 HA ASP A 88 4.040 10.578 -3.293 1.00 74.44 H new ATOM 0 HB2 ASP A 88 4.530 11.926 -5.038 1.00 42.22 H new ATOM 0 HB3 ASP A 88 4.136 13.285 -4.004 1.00 42.22 H new ATOM 1426 N ILE A 89 6.626 10.091 -3.034 1.00 54.24 N ATOM 1427 CA ILE A 89 7.881 9.517 -2.531 1.00 70.42 C ATOM 1428 C ILE A 89 8.920 10.587 -2.193 1.00 13.24 C ATOM 1429 O ILE A 89 9.801 10.322 -1.382 1.00 64.14 O ATOM 1430 CB ILE A 89 8.525 8.515 -3.518 1.00 61.34 C ATOM 1431 CG1 ILE A 89 8.540 9.010 -4.981 1.00 12.33 C ATOM 1432 CG2 ILE A 89 7.827 7.155 -3.417 1.00 53.35 C ATOM 1433 CD1 ILE A 89 9.544 8.304 -5.891 1.00 71.31 C ATOM 0 H ILE A 89 6.399 9.816 -3.990 1.00 54.24 H new ATOM 0 HA ILE A 89 7.592 8.988 -1.623 1.00 70.42 H new ATOM 0 HB ILE A 89 9.570 8.417 -3.223 1.00 61.34 H new ATOM 0 HG12 ILE A 89 7.542 8.886 -5.401 1.00 12.33 H new ATOM 0 HG13 ILE A 89 8.757 10.078 -4.985 1.00 12.33 H new ATOM 0 HG21 ILE A 89 8.288 6.457 -4.116 1.00 53.35 H new ATOM 0 HG22 ILE A 89 7.925 6.770 -2.402 1.00 53.35 H new ATOM 0 HG23 ILE A 89 6.771 7.269 -3.661 1.00 53.35 H new ATOM 0 HD11 ILE A 89 9.479 8.720 -6.896 1.00 71.31 H new ATOM 0 HD12 ILE A 89 10.552 8.449 -5.502 1.00 71.31 H new ATOM 0 HD13 ILE A 89 9.318 7.238 -5.925 1.00 71.31 H new ATOM 1445 N TYR A 90 8.859 11.767 -2.814 1.00 53.13 N ATOM 1446 CA TYR A 90 9.787 12.855 -2.540 1.00 13.10 C ATOM 1447 C TYR A 90 9.289 13.648 -1.314 1.00 31.44 C ATOM 1448 O TYR A 90 9.961 14.584 -0.875 1.00 61.35 O ATOM 1449 CB TYR A 90 9.988 13.728 -3.793 1.00 12.52 C ATOM 1450 CG TYR A 90 10.742 13.137 -4.983 1.00 63.51 C ATOM 1451 CD1 TYR A 90 10.974 11.752 -5.129 1.00 31.13 C ATOM 1452 CD2 TYR A 90 11.192 14.009 -5.996 1.00 14.32 C ATOM 1453 CE1 TYR A 90 11.616 11.252 -6.273 1.00 42.55 C ATOM 1454 CE2 TYR A 90 11.866 13.521 -7.132 1.00 12.12 C ATOM 1455 CZ TYR A 90 12.079 12.133 -7.273 1.00 40.14 C ATOM 1456 OH TYR A 90 12.745 11.607 -8.339 1.00 12.14 O ATOM 0 H TYR A 90 8.160 11.991 -3.523 1.00 53.13 H new ATOM 0 HA TYR A 90 10.772 12.459 -2.294 1.00 13.10 H new ATOM 0 HB2 TYR A 90 9.003 14.034 -4.145 1.00 12.52 H new ATOM 0 HB3 TYR A 90 10.512 14.633 -3.485 1.00 12.52 H new ATOM 0 HD1 TYR A 90 10.655 11.071 -4.354 1.00 31.13 H new ATOM 0 HD2 TYR A 90 11.016 15.070 -5.899 1.00 14.32 H new ATOM 0 HE1 TYR A 90 11.756 10.187 -6.388 1.00 42.55 H new ATOM 0 HE2 TYR A 90 12.218 14.205 -7.891 1.00 12.12 H new ATOM 0 HH TYR A 90 13.005 12.328 -8.950 1.00 12.14 H new ATOM 1466 N GLY A 91 8.150 13.260 -0.715 1.00 61.32 N ATOM 1467 CA GLY A 91 7.542 13.864 0.456 1.00 4.31 C ATOM 1468 C GLY A 91 6.713 15.102 0.163 1.00 42.22 C ATOM 1469 O GLY A 91 6.224 15.704 1.123 1.00 55.13 O ATOM 0 H GLY A 91 7.607 12.470 -1.065 1.00 61.32 H new ATOM 0 HA2 GLY A 91 6.908 13.124 0.944 1.00 4.31 H new ATOM 0 HA3 GLY A 91 8.328 14.127 1.164 1.00 4.31 H new ATOM 1473 N ASN A 92 6.590 15.499 -1.105 1.00 23.34 N ATOM 1474 CA ASN A 92 5.840 16.668 -1.528 1.00 13.31 C ATOM 1475 C ASN A 92 4.354 16.416 -1.369 1.00 5.23 C ATOM 1476 O ASN A 92 3.881 15.290 -1.545 1.00 23.20 O ATOM 1477 CB ASN A 92 6.141 16.995 -2.998 1.00 61.41 C ATOM 1478 CG ASN A 92 7.619 17.252 -3.241 1.00 43.51 C ATOM 1479 OD1 ASN A 92 8.248 18.037 -2.537 1.00 30.05 O ATOM 1480 ND2 ASN A 92 8.221 16.573 -4.198 1.00 4.23 N ATOM 0 H ASN A 92 7.023 14.999 -1.881 1.00 23.34 H new ATOM 0 HA ASN A 92 6.138 17.511 -0.905 1.00 13.31 H new ATOM 0 HB2 ASN A 92 5.810 16.168 -3.627 1.00 61.41 H new ATOM 0 HB3 ASN A 92 5.568 17.873 -3.297 1.00 61.41 H new ATOM 0 HD21 ASN A 92 9.220 16.697 -4.360 1.00 4.23 H new ATOM 0 HD22 ASN A 92 7.687 15.924 -4.776 1.00 4.23 H new ATOM 1487 N GLU A 93 3.619 17.473 -1.036 1.00 64.45 N ATOM 1488 CA GLU A 93 2.185 17.426 -0.855 1.00 63.02 C ATOM 1489 C GLU A 93 1.529 17.314 -2.229 1.00 31.25 C ATOM 1490 O GLU A 93 1.975 17.933 -3.198 1.00 1.44 O ATOM 1491 CB GLU A 93 1.734 18.686 -0.103 1.00 54.24 C ATOM 1492 CG GLU A 93 1.602 18.404 1.400 1.00 33.12 C ATOM 1493 CD GLU A 93 1.169 19.642 2.192 1.00 64.41 C ATOM 1494 OE1 GLU A 93 0.073 20.179 1.906 1.00 53.34 O ATOM 1495 OE2 GLU A 93 1.895 20.034 3.131 1.00 14.34 O ATOM 0 H GLU A 93 4.017 18.399 -0.883 1.00 64.45 H new ATOM 0 HA GLU A 93 1.888 16.561 -0.262 1.00 63.02 H new ATOM 0 HB2 GLU A 93 2.453 19.489 -0.265 1.00 54.24 H new ATOM 0 HB3 GLU A 93 0.778 19.029 -0.499 1.00 54.24 H new ATOM 0 HG2 GLU A 93 0.876 17.605 1.554 1.00 33.12 H new ATOM 0 HG3 GLU A 93 2.557 18.046 1.785 1.00 33.12 H new ATOM 1502 N VAL A 94 0.468 16.518 -2.308 1.00 52.54 N ATOM 1503 CA VAL A 94 -0.332 16.234 -3.494 1.00 13.34 C ATOM 1504 C VAL A 94 -1.806 16.554 -3.199 1.00 43.11 C ATOM 1505 O VAL A 94 -2.147 17.005 -2.100 1.00 1.34 O ATOM 1506 CB VAL A 94 0.017 14.895 -4.181 1.00 72.01 C ATOM 1507 CG1 VAL A 94 1.537 14.717 -4.329 1.00 63.15 C ATOM 1508 CG2 VAL A 94 -0.551 13.646 -3.513 1.00 13.01 C ATOM 0 H VAL A 94 0.120 16.020 -1.489 1.00 52.54 H new ATOM 0 HA VAL A 94 -0.064 16.908 -4.308 1.00 13.34 H new ATOM 0 HB VAL A 94 -0.466 14.979 -5.154 1.00 72.01 H new ATOM 0 HG11 VAL A 94 1.746 13.765 -4.816 1.00 63.15 H new ATOM 0 HG12 VAL A 94 1.941 15.530 -4.932 1.00 63.15 H new ATOM 0 HG13 VAL A 94 2.003 14.730 -3.344 1.00 63.15 H new ATOM 0 HG21 VAL A 94 -0.247 12.763 -4.075 1.00 13.01 H new ATOM 0 HG22 VAL A 94 -0.173 13.575 -2.493 1.00 13.01 H new ATOM 0 HG23 VAL A 94 -1.639 13.707 -3.494 1.00 13.01 H new ATOM 1518 N ASP A 95 -2.701 16.349 -4.166 1.00 14.23 N ATOM 1519 CA ASP A 95 -4.120 16.685 -4.007 1.00 71.11 C ATOM 1520 C ASP A 95 -4.819 15.611 -3.166 1.00 3.25 C ATOM 1521 O ASP A 95 -4.183 14.653 -2.713 1.00 12.25 O ATOM 1522 CB ASP A 95 -4.752 16.793 -5.406 1.00 22.00 C ATOM 1523 CG ASP A 95 -4.558 18.179 -5.996 1.00 64.01 C ATOM 1524 OD1 ASP A 95 -5.435 19.038 -5.758 1.00 24.33 O ATOM 1525 OD2 ASP A 95 -3.526 18.402 -6.661 1.00 44.23 O ATOM 0 H ASP A 95 -2.468 15.949 -5.075 1.00 14.23 H new ATOM 0 HA ASP A 95 -4.231 17.637 -3.488 1.00 71.11 H new ATOM 0 HB2 ASP A 95 -4.307 16.049 -6.067 1.00 22.00 H new ATOM 0 HB3 ASP A 95 -5.817 16.568 -5.344 1.00 22.00 H new ATOM 1530 N VAL A 96 -6.140 15.669 -2.994 1.00 53.23 N ATOM 1531 CA VAL A 96 -6.841 14.733 -2.115 1.00 73.04 C ATOM 1532 C VAL A 96 -7.762 13.727 -2.796 1.00 75.14 C ATOM 1533 O VAL A 96 -8.032 13.789 -3.993 1.00 74.13 O ATOM 1534 CB VAL A 96 -7.647 15.576 -1.096 1.00 45.01 C ATOM 1535 CG1 VAL A 96 -6.823 16.711 -0.470 1.00 72.22 C ATOM 1536 CG2 VAL A 96 -8.909 16.198 -1.702 1.00 63.43 C ATOM 0 H VAL A 96 -6.744 16.352 -3.450 1.00 53.23 H new ATOM 0 HA VAL A 96 -6.075 14.111 -1.652 1.00 73.04 H new ATOM 0 HB VAL A 96 -7.925 14.858 -0.324 1.00 45.01 H new ATOM 0 HG11 VAL A 96 -7.443 17.265 0.235 1.00 72.22 H new ATOM 0 HG12 VAL A 96 -5.965 16.291 0.054 1.00 72.22 H new ATOM 0 HG13 VAL A 96 -6.476 17.384 -1.254 1.00 72.22 H new ATOM 0 HG21 VAL A 96 -9.431 16.777 -0.940 1.00 63.43 H new ATOM 0 HG22 VAL A 96 -8.631 16.853 -2.528 1.00 63.43 H new ATOM 0 HG23 VAL A 96 -9.564 15.408 -2.070 1.00 63.43 H new ATOM 1546 N VAL A 97 -8.161 12.743 -1.988 1.00 30.25 N ATOM 1547 CA VAL A 97 -9.070 11.667 -2.374 1.00 44.52 C ATOM 1548 C VAL A 97 -10.492 12.219 -2.197 1.00 44.35 C ATOM 1549 O VAL A 97 -10.758 12.890 -1.191 1.00 41.41 O ATOM 1550 CB VAL A 97 -8.845 10.424 -1.481 1.00 42.54 C ATOM 1551 CG1 VAL A 97 -9.725 9.238 -1.905 1.00 34.00 C ATOM 1552 CG2 VAL A 97 -7.380 9.952 -1.494 1.00 34.21 C ATOM 0 H VAL A 97 -7.850 12.673 -1.019 1.00 30.25 H new ATOM 0 HA VAL A 97 -8.900 11.352 -3.404 1.00 44.52 H new ATOM 0 HB VAL A 97 -9.118 10.745 -0.476 1.00 42.54 H new ATOM 0 HG11 VAL A 97 -9.532 8.389 -1.249 1.00 34.00 H new ATOM 0 HG12 VAL A 97 -10.775 9.520 -1.833 1.00 34.00 H new ATOM 0 HG13 VAL A 97 -9.493 8.962 -2.934 1.00 34.00 H new ATOM 0 HG21 VAL A 97 -7.274 9.077 -0.852 1.00 34.21 H new ATOM 0 HG22 VAL A 97 -7.090 9.692 -2.512 1.00 34.21 H new ATOM 0 HG23 VAL A 97 -6.737 10.752 -1.127 1.00 34.21 H new ATOM 1562 N THR A 98 -11.393 11.942 -3.145 1.00 23.32 N ATOM 1563 CA THR A 98 -12.769 12.410 -3.069 1.00 32.53 C ATOM 1564 C THR A 98 -13.483 11.711 -1.902 1.00 24.34 C ATOM 1565 O THR A 98 -13.247 10.523 -1.644 1.00 1.23 O ATOM 1566 CB THR A 98 -13.483 12.228 -4.427 1.00 41.01 C ATOM 1567 OG1 THR A 98 -14.866 12.512 -4.331 1.00 2.21 O ATOM 1568 CG2 THR A 98 -13.396 10.817 -5.005 1.00 64.24 C ATOM 0 H THR A 98 -11.186 11.391 -3.978 1.00 23.32 H new ATOM 0 HA THR A 98 -12.791 13.480 -2.864 1.00 32.53 H new ATOM 0 HB THR A 98 -12.956 12.924 -5.080 1.00 41.01 H new ATOM 0 HG1 THR A 98 -15.287 12.389 -5.207 1.00 2.21 H new ATOM 0 HG21 THR A 98 -13.924 10.781 -5.958 1.00 64.24 H new ATOM 0 HG22 THR A 98 -12.350 10.551 -5.159 1.00 64.24 H new ATOM 0 HG23 THR A 98 -13.852 10.111 -4.311 1.00 64.24 H new ATOM 1576 N PRO A 99 -14.408 12.397 -1.210 1.00 73.12 N ATOM 1577 CA PRO A 99 -15.140 11.838 -0.089 1.00 34.32 C ATOM 1578 C PRO A 99 -16.032 10.675 -0.474 1.00 73.03 C ATOM 1579 O PRO A 99 -16.308 9.817 0.361 1.00 3.34 O ATOM 1580 CB PRO A 99 -15.967 12.995 0.471 1.00 52.12 C ATOM 1581 CG PRO A 99 -16.172 13.901 -0.735 1.00 1.42 C ATOM 1582 CD PRO A 99 -14.802 13.783 -1.394 1.00 64.23 C ATOM 0 HA PRO A 99 -14.447 11.423 0.643 1.00 34.32 H new ATOM 0 HB2 PRO A 99 -16.917 12.649 0.879 1.00 52.12 H new ATOM 0 HB3 PRO A 99 -15.443 13.510 1.276 1.00 52.12 H new ATOM 0 HG2 PRO A 99 -16.977 13.555 -1.383 1.00 1.42 H new ATOM 0 HG3 PRO A 99 -16.410 14.926 -0.450 1.00 1.42 H new ATOM 0 HD2 PRO A 99 -14.851 14.041 -2.452 1.00 64.23 H new ATOM 0 HD3 PRO A 99 -14.084 14.461 -0.933 1.00 64.23 H new ATOM 1590 N GLU A 100 -16.509 10.647 -1.712 1.00 65.01 N ATOM 1591 CA GLU A 100 -17.374 9.589 -2.183 1.00 73.42 C ATOM 1592 C GLU A 100 -16.582 8.292 -2.253 1.00 23.40 C ATOM 1593 O GLU A 100 -17.030 7.281 -1.710 1.00 24.15 O ATOM 1594 CB GLU A 100 -17.951 9.988 -3.540 1.00 10.22 C ATOM 1595 CG GLU A 100 -18.895 11.192 -3.400 1.00 44.52 C ATOM 1596 CD GLU A 100 -19.434 11.676 -4.741 1.00 73.43 C ATOM 1597 OE1 GLU A 100 -19.604 12.904 -4.898 1.00 65.25 O ATOM 1598 OE2 GLU A 100 -19.714 10.826 -5.618 1.00 54.02 O ATOM 0 H GLU A 100 -16.303 11.360 -2.412 1.00 65.01 H new ATOM 0 HA GLU A 100 -18.208 9.431 -1.499 1.00 73.42 H new ATOM 0 HB2 GLU A 100 -17.141 10.234 -4.226 1.00 10.22 H new ATOM 0 HB3 GLU A 100 -18.491 9.146 -3.972 1.00 10.22 H new ATOM 0 HG2 GLU A 100 -19.730 10.921 -2.754 1.00 44.52 H new ATOM 0 HG3 GLU A 100 -18.365 12.009 -2.910 1.00 44.52 H new ATOM 1605 N GLN A 101 -15.406 8.313 -2.897 1.00 32.04 N ATOM 1606 CA GLN A 101 -14.586 7.115 -3.003 1.00 22.14 C ATOM 1607 C GLN A 101 -13.987 6.766 -1.642 1.00 31.43 C ATOM 1608 O GLN A 101 -13.887 5.571 -1.340 1.00 34.25 O ATOM 1609 CB GLN A 101 -13.491 7.272 -4.065 1.00 52.21 C ATOM 1610 CG GLN A 101 -14.089 7.383 -5.478 1.00 4.40 C ATOM 1611 CD GLN A 101 -13.001 7.384 -6.549 1.00 13.43 C ATOM 1612 OE1 GLN A 101 -12.154 6.493 -6.586 1.00 34.01 O ATOM 1613 NE2 GLN A 101 -13.031 8.313 -7.486 1.00 62.45 N ATOM 0 H GLN A 101 -15.012 9.140 -3.345 1.00 32.04 H new ATOM 0 HA GLN A 101 -15.226 6.293 -3.323 1.00 22.14 H new ATOM 0 HB2 GLN A 101 -12.898 8.160 -3.849 1.00 52.21 H new ATOM 0 HB3 GLN A 101 -12.815 6.418 -4.021 1.00 52.21 H new ATOM 0 HG2 GLN A 101 -14.771 6.551 -5.652 1.00 4.40 H new ATOM 0 HG3 GLN A 101 -14.677 8.298 -5.554 1.00 4.40 H new ATOM 0 HE21 GLN A 101 -13.735 9.050 -7.451 1.00 62.45 H new ATOM 0 HE22 GLN A 101 -12.350 8.294 -8.245 1.00 62.45 H new ATOM 1622 N ALA A 102 -13.639 7.763 -0.820 1.00 20.13 N ATOM 1623 CA ALA A 102 -13.070 7.530 0.499 1.00 25.14 C ATOM 1624 C ALA A 102 -14.059 6.712 1.339 1.00 71.45 C ATOM 1625 O ALA A 102 -13.690 5.647 1.823 1.00 23.54 O ATOM 1626 CB ALA A 102 -12.695 8.864 1.168 1.00 64.21 C ATOM 0 H ALA A 102 -13.746 8.749 -1.056 1.00 20.13 H new ATOM 0 HA ALA A 102 -12.148 6.955 0.410 1.00 25.14 H new ATOM 0 HB1 ALA A 102 -12.271 8.670 2.153 1.00 64.21 H new ATOM 0 HB2 ALA A 102 -11.961 9.386 0.553 1.00 64.21 H new ATOM 0 HB3 ALA A 102 -13.587 9.482 1.272 1.00 64.21 H new ATOM 1632 N LYS A 103 -15.331 7.106 1.443 1.00 0.03 N ATOM 1633 CA LYS A 103 -16.293 6.328 2.239 1.00 51.11 C ATOM 1634 C LYS A 103 -16.592 5.005 1.554 1.00 63.15 C ATOM 1635 O LYS A 103 -16.875 4.028 2.276 1.00 44.21 O ATOM 1636 CB LYS A 103 -17.569 7.107 2.558 1.00 75.14 C ATOM 1637 CG LYS A 103 -18.460 7.445 1.343 1.00 54.10 C ATOM 1638 CD LYS A 103 -19.755 8.198 1.662 1.00 33.32 C ATOM 1639 CE LYS A 103 -19.546 9.411 2.573 1.00 54.34 C ATOM 1640 NZ LYS A 103 -18.670 10.461 2.012 1.00 24.34 N ATOM 0 H LYS A 103 -15.716 7.939 0.998 1.00 0.03 H new ATOM 0 HA LYS A 103 -15.828 6.121 3.203 1.00 51.11 H new ATOM 0 HB2 LYS A 103 -18.159 6.529 3.270 1.00 75.14 H new ATOM 0 HB3 LYS A 103 -17.292 8.037 3.054 1.00 75.14 H new ATOM 0 HG2 LYS A 103 -17.877 8.042 0.642 1.00 54.10 H new ATOM 0 HG3 LYS A 103 -18.717 6.516 0.834 1.00 54.10 H new ATOM 0 HD2 LYS A 103 -20.213 8.528 0.730 1.00 33.32 H new ATOM 0 HD3 LYS A 103 -20.457 7.513 2.137 1.00 33.32 H new ATOM 0 HE2 LYS A 103 -20.518 9.850 2.799 1.00 54.34 H new ATOM 0 HE3 LYS A 103 -19.123 9.070 3.518 1.00 54.34 H new ATOM 0 HZ1 LYS A 103 -18.296 11.050 2.783 1.00 24.34 H new ATOM 0 HZ2 LYS A 103 -17.880 10.018 1.501 1.00 24.34 H new ATOM 0 HZ3 LYS A 103 -19.216 11.055 1.356 1.00 24.34 H new ATOM 1654 N TYR A 104 -16.545 4.925 0.235 1.00 22.24 N ATOM 1655 CA TYR A 104 -16.817 3.723 -0.531 1.00 21.44 C ATOM 1656 C TYR A 104 -15.949 2.564 -0.027 1.00 52.22 C ATOM 1657 O TYR A 104 -16.361 1.439 -0.114 1.00 41.23 O ATOM 1658 CB TYR A 104 -16.742 3.897 -2.046 1.00 41.54 C ATOM 1659 CG TYR A 104 -17.768 3.141 -2.891 1.00 41.14 C ATOM 1660 CD1 TYR A 104 -17.926 3.513 -4.235 1.00 23.24 C ATOM 1661 CD2 TYR A 104 -18.594 2.119 -2.361 1.00 10.42 C ATOM 1662 CE1 TYR A 104 -18.890 2.883 -5.046 1.00 3.10 C ATOM 1663 CE2 TYR A 104 -19.528 1.451 -3.171 1.00 70.12 C ATOM 1664 CZ TYR A 104 -19.688 1.847 -4.517 1.00 25.43 C ATOM 1665 OH TYR A 104 -20.555 1.193 -5.332 1.00 72.42 O ATOM 0 H TYR A 104 -16.308 5.725 -0.352 1.00 22.24 H new ATOM 0 HA TYR A 104 -17.865 3.480 -0.354 1.00 21.44 H new ATOM 0 HB2 TYR A 104 -16.839 4.960 -2.269 1.00 41.54 H new ATOM 0 HB3 TYR A 104 -15.747 3.593 -2.372 1.00 41.54 H new ATOM 0 HD1 TYR A 104 -17.302 4.290 -4.652 1.00 23.24 H new ATOM 0 HD2 TYR A 104 -18.504 1.849 -1.319 1.00 10.42 H new ATOM 0 HE1 TYR A 104 -19.018 3.193 -6.073 1.00 3.10 H new ATOM 0 HE2 TYR A 104 -20.118 0.642 -2.768 1.00 70.12 H new ATOM 0 HH TYR A 104 -21.031 0.506 -4.820 1.00 72.42 H new ATOM 1675 N ALA A 105 -14.760 2.843 0.541 1.00 73.30 N ATOM 1676 CA ALA A 105 -13.866 1.822 1.065 1.00 30.45 C ATOM 1677 C ALA A 105 -14.594 0.861 2.021 1.00 45.54 C ATOM 1678 O ALA A 105 -14.203 -0.302 2.148 1.00 40.25 O ATOM 1679 CB ALA A 105 -12.745 2.543 1.795 1.00 41.23 C ATOM 0 H ALA A 105 -14.401 3.792 0.644 1.00 73.30 H new ATOM 0 HA ALA A 105 -13.480 1.214 0.247 1.00 30.45 H new ATOM 0 HB1 ALA A 105 -12.049 1.812 2.205 1.00 41.23 H new ATOM 0 HB2 ALA A 105 -12.218 3.195 1.099 1.00 41.23 H new ATOM 0 HB3 ALA A 105 -13.163 3.140 2.605 1.00 41.23 H new ATOM 1685 N TYR A 106 -15.662 1.317 2.688 1.00 2.30 N ATOM 1686 CA TYR A 106 -16.443 0.508 3.611 1.00 71.04 C ATOM 1687 C TYR A 106 -16.968 -0.791 2.988 1.00 23.41 C ATOM 1688 O TYR A 106 -17.104 -1.793 3.710 1.00 53.32 O ATOM 1689 CB TYR A 106 -17.600 1.369 4.154 1.00 62.42 C ATOM 1690 CG TYR A 106 -18.911 1.208 3.392 1.00 31.44 C ATOM 1691 CD1 TYR A 106 -19.027 1.636 2.055 1.00 71.13 C ATOM 1692 CD2 TYR A 106 -19.977 0.505 3.986 1.00 4.33 C ATOM 1693 CE1 TYR A 106 -20.215 1.407 1.335 1.00 24.00 C ATOM 1694 CE2 TYR A 106 -21.151 0.236 3.266 1.00 51.44 C ATOM 1695 CZ TYR A 106 -21.278 0.696 1.936 1.00 71.32 C ATOM 1696 OH TYR A 106 -22.408 0.440 1.224 1.00 52.54 O ATOM 0 H TYR A 106 -16.006 2.273 2.595 1.00 2.30 H new ATOM 0 HA TYR A 106 -15.787 0.193 4.422 1.00 71.04 H new ATOM 0 HB2 TYR A 106 -17.767 1.114 5.200 1.00 62.42 H new ATOM 0 HB3 TYR A 106 -17.302 2.417 4.125 1.00 62.42 H new ATOM 0 HD1 TYR A 106 -18.200 2.143 1.580 1.00 71.13 H new ATOM 0 HD2 TYR A 106 -19.890 0.169 5.009 1.00 4.33 H new ATOM 0 HE1 TYR A 106 -20.314 1.774 0.324 1.00 24.00 H new ATOM 0 HE2 TYR A 106 -21.954 -0.320 3.726 1.00 51.44 H new ATOM 0 HH TYR A 106 -23.040 -0.059 1.782 1.00 52.54 H new ATOM 1706 N GLN A 107 -17.217 -0.814 1.677 1.00 53.35 N ATOM 1707 CA GLN A 107 -17.708 -1.993 0.980 1.00 11.45 C ATOM 1708 C GLN A 107 -16.661 -3.094 1.038 1.00 62.20 C ATOM 1709 O GLN A 107 -16.927 -4.230 1.411 1.00 30.31 O ATOM 1710 CB GLN A 107 -18.142 -1.672 -0.432 1.00 60.44 C ATOM 1711 CG GLN A 107 -17.121 -1.012 -1.338 1.00 11.42 C ATOM 1712 CD GLN A 107 -16.818 -1.699 -2.654 1.00 5.44 C ATOM 1713 OE1 GLN A 107 -16.441 -2.862 -2.677 1.00 12.35 O ATOM 1714 NE2 GLN A 107 -16.861 -0.969 -3.753 1.00 43.32 N ATOM 0 H GLN A 107 -17.081 -0.006 1.069 1.00 53.35 H new ATOM 0 HA GLN A 107 -18.604 -2.355 1.485 1.00 11.45 H new ATOM 0 HB2 GLN A 107 -18.464 -2.599 -0.905 1.00 60.44 H new ATOM 0 HB3 GLN A 107 -19.015 -1.022 -0.377 1.00 60.44 H new ATOM 0 HG2 GLN A 107 -17.466 -0.001 -1.556 1.00 11.42 H new ATOM 0 HG3 GLN A 107 -16.188 -0.918 -0.783 1.00 11.42 H new ATOM 0 HE21 GLN A 107 -17.179 -0.001 -3.710 1.00 43.32 H new ATOM 0 HE22 GLN A 107 -16.576 -1.373 -4.645 1.00 43.32 H new ATOM 1723 N ARG A 108 -15.433 -2.714 0.713 1.00 11.25 N ATOM 1724 CA ARG A 108 -14.253 -3.564 0.704 1.00 32.40 C ATOM 1725 C ARG A 108 -14.003 -4.089 2.109 1.00 20.42 C ATOM 1726 O ARG A 108 -13.516 -5.207 2.258 1.00 2.31 O ATOM 1727 CB ARG A 108 -13.040 -2.768 0.210 1.00 71.44 C ATOM 1728 CG ARG A 108 -13.245 -2.046 -1.124 1.00 72.02 C ATOM 1729 CD ARG A 108 -13.369 -3.080 -2.259 1.00 55.33 C ATOM 1730 NE ARG A 108 -13.525 -2.449 -3.579 1.00 3.12 N ATOM 1731 CZ ARG A 108 -12.544 -1.950 -4.339 1.00 45.34 C ATOM 1732 NH1 ARG A 108 -11.270 -2.081 -3.970 1.00 42.54 N ATOM 1733 NH2 ARG A 108 -12.858 -1.308 -5.453 1.00 35.14 N ATOM 0 H ARG A 108 -15.224 -1.755 0.434 1.00 11.25 H new ATOM 0 HA ARG A 108 -14.413 -4.405 0.030 1.00 32.40 H new ATOM 0 HB2 ARG A 108 -12.773 -2.032 0.968 1.00 71.44 H new ATOM 0 HB3 ARG A 108 -12.193 -3.447 0.113 1.00 71.44 H new ATOM 0 HG2 ARG A 108 -14.143 -1.429 -1.081 1.00 72.02 H new ATOM 0 HG3 ARG A 108 -12.407 -1.376 -1.319 1.00 72.02 H new ATOM 0 HD2 ARG A 108 -12.484 -3.716 -2.266 1.00 55.33 H new ATOM 0 HD3 ARG A 108 -14.225 -3.727 -2.065 1.00 55.33 H new ATOM 0 HE ARG A 108 -14.473 -2.386 -3.950 1.00 3.12 H new ATOM 0 HH11 ARG A 108 -11.037 -2.565 -3.103 1.00 42.54 H new ATOM 0 HH12 ARG A 108 -10.528 -1.698 -4.555 1.00 42.54 H new ATOM 0 HH21 ARG A 108 -13.836 -1.200 -5.721 1.00 35.14 H new ATOM 0 HH22 ARG A 108 -12.122 -0.921 -6.044 1.00 35.14 H new ATOM 1747 N TYR A 109 -14.322 -3.312 3.148 1.00 61.43 N ATOM 1748 CA TYR A 109 -14.133 -3.791 4.501 1.00 15.44 C ATOM 1749 C TYR A 109 -15.111 -4.939 4.726 1.00 24.23 C ATOM 1750 O TYR A 109 -14.717 -5.982 5.229 1.00 74.14 O ATOM 1751 CB TYR A 109 -14.346 -2.667 5.520 1.00 74.13 C ATOM 1752 CG TYR A 109 -14.047 -3.051 6.964 1.00 1.04 C ATOM 1753 CD1 TYR A 109 -14.866 -3.976 7.645 1.00 55.44 C ATOM 1754 CD2 TYR A 109 -12.954 -2.481 7.645 1.00 1.44 C ATOM 1755 CE1 TYR A 109 -14.571 -4.366 8.960 1.00 44.41 C ATOM 1756 CE2 TYR A 109 -12.682 -2.831 8.982 1.00 0.24 C ATOM 1757 CZ TYR A 109 -13.483 -3.787 9.641 1.00 35.30 C ATOM 1758 OH TYR A 109 -13.256 -4.120 10.937 1.00 65.32 O ATOM 0 H TYR A 109 -14.704 -2.369 3.072 1.00 61.43 H new ATOM 0 HA TYR A 109 -13.110 -4.141 4.638 1.00 15.44 H new ATOM 0 HB2 TYR A 109 -13.715 -1.822 5.245 1.00 74.13 H new ATOM 0 HB3 TYR A 109 -15.380 -2.328 5.455 1.00 74.13 H new ATOM 0 HD1 TYR A 109 -15.731 -4.389 7.148 1.00 55.44 H new ATOM 0 HD2 TYR A 109 -12.319 -1.770 7.138 1.00 1.44 H new ATOM 0 HE1 TYR A 109 -15.179 -5.111 9.451 1.00 44.41 H new ATOM 0 HE2 TYR A 109 -11.858 -2.366 9.504 1.00 0.24 H new ATOM 0 HH TYR A 109 -12.469 -3.638 11.266 1.00 65.32 H new ATOM 1768 N GLN A 110 -16.397 -4.758 4.427 1.00 10.25 N ATOM 1769 CA GLN A 110 -17.380 -5.820 4.630 1.00 44.43 C ATOM 1770 C GLN A 110 -17.120 -7.005 3.698 1.00 31.31 C ATOM 1771 O GLN A 110 -17.455 -8.126 4.045 1.00 20.12 O ATOM 1772 CB GLN A 110 -18.838 -5.330 4.650 1.00 54.24 C ATOM 1773 CG GLN A 110 -19.315 -4.576 3.398 1.00 64.13 C ATOM 1774 CD GLN A 110 -20.709 -3.959 3.561 1.00 52.34 C ATOM 1775 OE1 GLN A 110 -21.608 -4.161 2.746 1.00 2.12 O ATOM 1776 NE2 GLN A 110 -20.898 -3.138 4.582 1.00 72.43 N ATOM 0 H GLN A 110 -16.780 -3.893 4.046 1.00 10.25 H new ATOM 0 HA GLN A 110 -17.235 -6.193 5.644 1.00 44.43 H new ATOM 0 HB2 GLN A 110 -19.488 -6.192 4.800 1.00 54.24 H new ATOM 0 HB3 GLN A 110 -18.969 -4.678 5.514 1.00 54.24 H new ATOM 0 HG2 GLN A 110 -18.601 -3.787 3.162 1.00 64.13 H new ATOM 0 HG3 GLN A 110 -19.325 -5.261 2.550 1.00 64.13 H new ATOM 0 HE21 GLN A 110 -20.147 -2.977 5.253 1.00 72.43 H new ATOM 0 HE22 GLN A 110 -21.795 -2.667 4.698 1.00 72.43 H new ATOM 1785 N GLU A 111 -16.541 -6.782 2.518 1.00 73.12 N ATOM 1786 CA GLU A 111 -16.291 -7.880 1.586 1.00 0.42 C ATOM 1787 C GLU A 111 -15.339 -8.943 2.148 1.00 22.45 C ATOM 1788 O GLU A 111 -15.621 -10.140 2.117 1.00 51.04 O ATOM 1789 CB GLU A 111 -15.763 -7.312 0.251 1.00 53.44 C ATOM 1790 CG GLU A 111 -14.262 -7.409 -0.055 1.00 32.01 C ATOM 1791 CD GLU A 111 -13.796 -6.686 -1.317 1.00 12.44 C ATOM 1792 OE1 GLU A 111 -14.624 -6.367 -2.202 1.00 2.31 O ATOM 1793 OE2 GLU A 111 -12.573 -6.433 -1.404 1.00 20.14 O ATOM 0 H GLU A 111 -16.240 -5.865 2.189 1.00 73.12 H new ATOM 0 HA GLU A 111 -17.240 -8.390 1.419 1.00 0.42 H new ATOM 0 HB2 GLU A 111 -16.297 -7.815 -0.555 1.00 53.44 H new ATOM 0 HB3 GLU A 111 -16.041 -6.259 0.208 1.00 53.44 H new ATOM 0 HG2 GLU A 111 -13.710 -7.009 0.796 1.00 32.01 H new ATOM 0 HG3 GLU A 111 -13.995 -8.462 -0.142 1.00 32.01 H new ATOM 1800 N ARG A 112 -14.264 -8.458 2.753 1.00 23.31 N ATOM 1801 CA ARG A 112 -13.163 -9.237 3.339 1.00 53.43 C ATOM 1802 C ARG A 112 -13.175 -9.436 4.842 1.00 53.22 C ATOM 1803 O ARG A 112 -12.527 -10.371 5.315 1.00 20.24 O ATOM 1804 CB ARG A 112 -11.848 -8.488 3.053 1.00 45.41 C ATOM 1805 CG ARG A 112 -11.244 -8.790 1.683 1.00 63.43 C ATOM 1806 CD ARG A 112 -10.533 -10.143 1.660 1.00 51.43 C ATOM 1807 NE ARG A 112 -10.017 -10.404 0.315 1.00 75.00 N ATOM 1808 CZ ARG A 112 -9.651 -11.590 -0.169 1.00 54.20 C ATOM 1809 NH1 ARG A 112 -9.515 -12.639 0.638 1.00 14.23 N ATOM 1810 NH2 ARG A 112 -9.447 -11.710 -1.471 1.00 73.22 N ATOM 0 H ARG A 112 -14.121 -7.454 2.858 1.00 23.31 H new ATOM 0 HA ARG A 112 -13.271 -10.222 2.886 1.00 53.43 H new ATOM 0 HB2 ARG A 112 -12.029 -7.416 3.130 1.00 45.41 H new ATOM 0 HB3 ARG A 112 -11.121 -8.745 3.823 1.00 45.41 H new ATOM 0 HG2 ARG A 112 -12.031 -8.781 0.929 1.00 63.43 H new ATOM 0 HG3 ARG A 112 -10.538 -8.004 1.416 1.00 63.43 H new ATOM 0 HD2 ARG A 112 -9.716 -10.148 2.381 1.00 51.43 H new ATOM 0 HD3 ARG A 112 -11.223 -10.933 1.955 1.00 51.43 H new ATOM 0 HE ARG A 112 -9.930 -9.603 -0.310 1.00 75.00 H new ATOM 0 HH11 ARG A 112 -9.691 -12.540 1.638 1.00 14.23 H new ATOM 0 HH12 ARG A 112 -9.234 -13.543 0.257 1.00 14.23 H new ATOM 0 HH21 ARG A 112 -9.570 -10.903 -2.083 1.00 73.22 H new ATOM 0 HH22 ARG A 112 -9.166 -12.609 -1.862 1.00 73.22 H new ATOM 1824 N TYR A 113 -13.842 -8.571 5.588 1.00 0.43 N ATOM 1825 CA TYR A 113 -13.908 -8.596 7.044 1.00 61.21 C ATOM 1826 C TYR A 113 -15.362 -8.556 7.514 1.00 11.24 C ATOM 1827 O TYR A 113 -15.653 -8.167 8.649 1.00 4.21 O ATOM 1828 CB TYR A 113 -13.080 -7.406 7.570 1.00 5.43 C ATOM 1829 CG TYR A 113 -11.735 -7.186 6.880 1.00 50.45 C ATOM 1830 CD1 TYR A 113 -11.472 -5.979 6.202 1.00 2.34 C ATOM 1831 CD2 TYR A 113 -10.778 -8.215 6.846 1.00 41.01 C ATOM 1832 CE1 TYR A 113 -10.283 -5.814 5.466 1.00 31.32 C ATOM 1833 CE2 TYR A 113 -9.577 -8.059 6.128 1.00 20.24 C ATOM 1834 CZ TYR A 113 -9.332 -6.859 5.423 1.00 31.13 C ATOM 1835 OH TYR A 113 -8.176 -6.714 4.719 1.00 62.11 O ATOM 0 H TYR A 113 -14.374 -7.801 5.182 1.00 0.43 H new ATOM 0 HA TYR A 113 -13.489 -9.521 7.441 1.00 61.21 H new ATOM 0 HB2 TYR A 113 -13.674 -6.498 7.467 1.00 5.43 H new ATOM 0 HB3 TYR A 113 -12.903 -7.552 8.636 1.00 5.43 H new ATOM 0 HD1 TYR A 113 -12.189 -5.173 6.247 1.00 2.34 H new ATOM 0 HD2 TYR A 113 -10.966 -9.136 7.377 1.00 41.01 H new ATOM 0 HE1 TYR A 113 -10.098 -4.891 4.936 1.00 31.32 H new ATOM 0 HE2 TYR A 113 -8.846 -8.854 6.116 1.00 20.24 H new ATOM 0 HH TYR A 113 -8.293 -6.020 4.037 1.00 62.11 H new ATOM 1845 N GLY A 114 -16.300 -8.877 6.628 1.00 4.52 N ATOM 1846 CA GLY A 114 -17.732 -8.904 6.875 1.00 13.04 C ATOM 1847 C GLY A 114 -18.376 -10.032 6.081 1.00 42.22 C ATOM 1848 O GLY A 114 -17.692 -10.901 5.532 1.00 62.54 O ATOM 0 H GLY A 114 -16.066 -9.138 5.670 1.00 4.52 H new ATOM 0 HA2 GLY A 114 -17.923 -9.042 7.939 1.00 13.04 H new ATOM 0 HA3 GLY A 114 -18.176 -7.950 6.592 1.00 13.04 H new