USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 670 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 90 LYS NZ :NH3+ -164:sc= 0.00142 (180deg=0) USER MOD Set 1.2: A 100 SER OG : rot 160:sc= -3.95 USER MOD Set 2.1: A 57 TYR OH : rot 180:sc= -0.201 USER MOD Set 2.2: A 66 GLN : amide:sc= -0.0378 X(o=-0.24,f=-0.4) USER MOD Set 3.1: A 51 THR OG1 : rot 180:sc= 0.0205 USER MOD Set 3.2: A 92 THR OG1 : rot -178:sc= -2.96! USER MOD Single : A 16 THR OG1 : rot -34:sc= 0.789 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0507 K(o=-0.051,f=-1.1) USER MOD Single : A 24 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.2!) USER MOD Single : A 28 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.2) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -115:sc= 0.881 (180deg=-1.25) USER MOD Single : A 37 ASN :FLIP amide:sc= -3.56! C(o=-5.2!,f=-3.6!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 141:sc= -2.6! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00343 USER MOD Single : A 60 SER OG : rot 180:sc= -0.0641 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 80:sc= -1.58 USER MOD Single : A 71 ASN : amide:sc= -0.0677 K(o=-0.068,f=-0.57) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0752 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -100:sc= 0.0949 USER MOD Single : A 93 THR OG1 : rot 120:sc= -1.25 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 100:sc= -0.518 USER MOD Single : A 103 GLN : amide:sc= -1.13 K(o=-1.1,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 16 -6.037 -24.845 -1.038 1.00 0.00 N ATOM 199 CA THR A 16 -5.178 -23.962 -1.808 1.00 0.00 C ATOM 200 C THR A 16 -5.658 -22.514 -1.691 1.00 0.00 C ATOM 201 O THR A 16 -6.831 -22.266 -1.419 1.00 0.00 O ATOM 202 CB THR A 16 -5.142 -24.476 -3.249 1.00 0.00 C ATOM 203 OG1 THR A 16 -6.493 -24.838 -3.521 1.00 0.00 O ATOM 204 CG2 THR A 16 -4.370 -25.790 -3.383 1.00 0.00 C ATOM 0 HA THR A 16 -4.159 -23.965 -1.421 1.00 0.00 H new ATOM 0 HB THR A 16 -4.689 -23.722 -3.892 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.910 -25.183 -2.704 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.375 -26.110 -4.425 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.341 -25.643 -3.054 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.843 -26.554 -2.766 1.00 0.00 H new ATOM 212 N PRO A 17 -4.701 -21.572 -1.908 1.00 0.00 N ATOM 213 CA PRO A 17 -5.014 -20.156 -1.830 1.00 0.00 C ATOM 214 C PRO A 17 -5.794 -19.698 -3.064 1.00 0.00 C ATOM 215 O PRO A 17 -5.669 -20.287 -4.136 1.00 0.00 O ATOM 216 CB PRO A 17 -3.669 -19.463 -1.687 1.00 0.00 C ATOM 217 CG PRO A 17 -2.630 -20.469 -2.156 1.00 0.00 C ATOM 218 CD PRO A 17 -3.301 -21.830 -2.233 1.00 0.00 C ATOM 0 HA PRO A 17 -5.663 -19.915 -0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.632 -18.554 -2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.489 -19.169 -0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.234 -20.183 -3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.787 -20.497 -1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.199 -22.266 -3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.854 -22.532 -1.529 1.00 0.00 H new ATOM 226 N PRO A 18 -6.604 -18.623 -2.866 1.00 0.00 N ATOM 227 CA PRO A 18 -7.404 -18.079 -3.949 1.00 0.00 C ATOM 228 C PRO A 18 -6.535 -17.288 -4.929 1.00 0.00 C ATOM 229 O PRO A 18 -5.658 -16.532 -4.515 1.00 0.00 O ATOM 230 CB PRO A 18 -8.460 -17.224 -3.268 1.00 0.00 C ATOM 231 CG PRO A 18 -7.933 -16.947 -1.869 1.00 0.00 C ATOM 232 CD PRO A 18 -6.777 -17.900 -1.609 1.00 0.00 C ATOM 0 HA PRO A 18 -7.870 -18.854 -4.557 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.623 -16.295 -3.815 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.418 -17.743 -3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.601 -15.912 -1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.720 -17.091 -1.129 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.871 -17.359 -1.335 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.002 -18.581 -0.788 1.00 0.00 H new ATOM 240 N SER A 19 -6.810 -17.489 -6.210 1.00 0.00 N ATOM 241 CA SER A 19 -6.064 -16.804 -7.252 1.00 0.00 C ATOM 242 C SER A 19 -6.713 -15.452 -7.556 1.00 0.00 C ATOM 243 O SER A 19 -6.776 -15.036 -8.712 1.00 0.00 O ATOM 244 CB SER A 19 -5.986 -17.653 -8.522 1.00 0.00 C ATOM 245 OG SER A 19 -4.682 -17.636 -9.096 1.00 0.00 O ATOM 0 H SER A 19 -7.539 -18.116 -6.550 1.00 0.00 H new ATOM 0 HA SER A 19 -5.047 -16.640 -6.894 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.266 -18.680 -8.289 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.708 -17.283 -9.250 1.00 0.00 H new ATOM 0 HG SER A 19 -4.673 -18.191 -9.904 1.00 0.00 H new ATOM 251 N GLN A 20 -7.178 -14.803 -6.499 1.00 0.00 N ATOM 252 CA GLN A 20 -7.819 -13.507 -6.638 1.00 0.00 C ATOM 253 C GLN A 20 -7.004 -12.431 -5.917 1.00 0.00 C ATOM 254 O GLN A 20 -6.932 -12.421 -4.689 1.00 0.00 O ATOM 255 CB GLN A 20 -9.257 -13.547 -6.117 1.00 0.00 C ATOM 256 CG GLN A 20 -9.662 -12.197 -5.522 1.00 0.00 C ATOM 257 CD GLN A 20 -11.175 -11.987 -5.618 1.00 0.00 C ATOM 258 OE1 GLN A 20 -11.937 -12.898 -5.899 1.00 0.00 O ATOM 259 NE2 GLN A 20 -11.565 -10.741 -5.369 1.00 0.00 N ATOM 0 H GLN A 20 -7.123 -15.151 -5.542 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.859 -13.256 -7.698 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.935 -13.808 -6.930 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.352 -14.325 -5.360 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.350 -12.147 -4.479 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.146 -11.394 -6.048 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.874 -10.027 -5.140 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.555 -10.499 -5.407 1.00 0.00 H new ATOM 268 N PRO A 21 -6.395 -11.529 -6.732 1.00 0.00 N ATOM 269 CA PRO A 21 -5.588 -10.451 -6.185 1.00 0.00 C ATOM 270 C PRO A 21 -6.471 -9.359 -5.577 1.00 0.00 C ATOM 271 O PRO A 21 -7.626 -9.201 -5.968 1.00 0.00 O ATOM 272 CB PRO A 21 -4.749 -9.956 -7.351 1.00 0.00 C ATOM 273 CG PRO A 21 -5.446 -10.455 -8.607 1.00 0.00 C ATOM 274 CD PRO A 21 -6.458 -11.510 -8.190 1.00 0.00 C ATOM 0 HA PRO A 21 -4.950 -10.778 -5.364 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.680 -8.868 -7.349 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.731 -10.340 -7.290 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.942 -9.632 -9.121 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.721 -10.875 -9.304 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.459 -11.258 -8.540 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.209 -12.485 -8.610 1.00 0.00 H new ATOM 282 N PRO A 22 -5.878 -8.615 -4.606 1.00 0.00 N ATOM 283 CA PRO A 22 -6.598 -7.542 -3.940 1.00 0.00 C ATOM 284 C PRO A 22 -6.722 -6.319 -4.850 1.00 0.00 C ATOM 285 O PRO A 22 -5.718 -5.783 -5.317 1.00 0.00 O ATOM 286 CB PRO A 22 -5.805 -7.263 -2.674 1.00 0.00 C ATOM 287 CG PRO A 22 -4.426 -7.861 -2.905 1.00 0.00 C ATOM 288 CD PRO A 22 -4.511 -8.774 -4.117 1.00 0.00 C ATOM 0 HA PRO A 22 -7.626 -7.811 -3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.739 -6.192 -2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.285 -7.713 -1.805 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.691 -7.073 -3.071 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.101 -8.420 -2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.783 -8.491 -4.877 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.305 -9.810 -3.848 1.00 0.00 H new ATOM 296 N GLY A 23 -7.962 -5.911 -5.074 1.00 0.00 N ATOM 297 CA GLY A 23 -8.231 -4.760 -5.920 1.00 0.00 C ATOM 298 C GLY A 23 -8.353 -3.484 -5.086 1.00 0.00 C ATOM 299 O GLY A 23 -8.106 -3.499 -3.881 1.00 0.00 O ATOM 0 H GLY A 23 -8.792 -6.357 -4.684 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.430 -4.646 -6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.152 -4.923 -6.479 1.00 0.00 H new ATOM 303 N ASN A 24 -8.735 -2.409 -5.760 1.00 0.00 N ATOM 304 CA ASN A 24 -8.893 -1.126 -5.096 1.00 0.00 C ATOM 305 C ASN A 24 -7.621 -0.803 -4.310 1.00 0.00 C ATOM 306 O ASN A 24 -7.673 -0.110 -3.295 1.00 0.00 O ATOM 307 CB ASN A 24 -10.063 -1.157 -4.110 1.00 0.00 C ATOM 308 CG ASN A 24 -10.838 0.162 -4.139 1.00 0.00 C ATOM 309 OD1 ASN A 24 -10.984 0.804 -5.166 1.00 0.00 O ATOM 310 ND2 ASN A 24 -11.327 0.528 -2.957 1.00 0.00 N ATOM 0 H ASN A 24 -8.940 -2.400 -6.759 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.084 -0.372 -5.860 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.731 -1.981 -4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.690 -1.342 -3.103 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.861 1.393 -2.872 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.168 -0.056 -2.136 1.00 0.00 H new ATOM 317 N VAL A 25 -6.508 -1.322 -4.808 1.00 0.00 N ATOM 318 CA VAL A 25 -5.225 -1.098 -4.165 1.00 0.00 C ATOM 319 C VAL A 25 -4.831 0.373 -4.321 1.00 0.00 C ATOM 320 O VAL A 25 -4.195 0.747 -5.306 1.00 0.00 O ATOM 321 CB VAL A 25 -4.180 -2.060 -4.733 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.840 -1.903 -4.011 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.672 -3.507 -4.665 1.00 0.00 C ATOM 0 H VAL A 25 -6.469 -1.897 -5.650 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.292 -1.305 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.027 -1.807 -5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.115 -2.598 -4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.478 -0.882 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.971 -2.117 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.910 -4.170 -5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.867 -3.777 -3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.590 -3.607 -5.244 1.00 0.00 H new ATOM 333 N VAL A 26 -5.224 1.166 -3.336 1.00 0.00 N ATOM 334 CA VAL A 26 -4.920 2.586 -3.352 1.00 0.00 C ATOM 335 C VAL A 26 -3.865 2.890 -2.286 1.00 0.00 C ATOM 336 O VAL A 26 -3.668 2.103 -1.361 1.00 0.00 O ATOM 337 CB VAL A 26 -6.204 3.398 -3.170 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.243 3.024 -4.229 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.770 3.222 -1.760 1.00 0.00 C ATOM 0 H VAL A 26 -5.751 0.852 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.501 2.876 -4.316 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.956 4.451 -3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.146 3.615 -4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.840 3.225 -5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.484 1.965 -4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.682 3.810 -1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.995 2.170 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.036 3.561 -1.029 1.00 0.00 H new ATOM 349 N TRP A 27 -3.216 4.033 -2.450 1.00 0.00 N ATOM 350 CA TRP A 27 -2.186 4.450 -1.513 1.00 0.00 C ATOM 351 C TRP A 27 -2.396 5.935 -1.211 1.00 0.00 C ATOM 352 O TRP A 27 -3.302 6.562 -1.758 1.00 0.00 O ATOM 353 CB TRP A 27 -0.791 4.142 -2.060 1.00 0.00 C ATOM 354 CG TRP A 27 -0.522 4.730 -3.447 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.851 4.215 -4.639 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.149 5.974 -3.738 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.443 5.032 -5.673 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.185 6.136 -5.108 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.708 6.931 -2.872 1.00 0.00 C ATOM 360 CZ2 TRP A 27 0.768 7.244 -5.734 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.287 8.032 -3.514 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.331 8.210 -4.892 1.00 0.00 C ATOM 0 H TRP A 27 -3.383 4.684 -3.218 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.263 3.891 -0.580 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.046 4.526 -1.363 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.660 3.061 -2.103 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.370 3.278 -4.774 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.577 4.858 -6.669 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.692 6.825 -1.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.783 7.348 -6.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.731 8.797 -2.895 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.797 9.089 -5.311 1.00 0.00 H new ATOM 373 N ASN A 28 -1.543 6.455 -0.340 1.00 0.00 N ATOM 374 CA ASN A 28 -1.624 7.854 0.042 1.00 0.00 C ATOM 375 C ASN A 28 -0.351 8.247 0.795 1.00 0.00 C ATOM 376 O ASN A 28 0.409 7.383 1.229 1.00 0.00 O ATOM 377 CB ASN A 28 -2.817 8.105 0.967 1.00 0.00 C ATOM 378 CG ASN A 28 -4.077 8.426 0.162 1.00 0.00 C ATOM 379 OD1 ASN A 28 -4.134 9.380 -0.597 1.00 0.00 O ATOM 380 ND2 ASN A 28 -5.081 7.579 0.368 1.00 0.00 N ATOM 0 H ASN A 28 -0.793 5.932 0.112 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.742 8.445 -0.866 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.992 7.226 1.588 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.591 8.931 1.641 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.966 7.707 -0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.967 6.801 1.017 1.00 0.00 H new ATOM 387 N ALA A 29 -0.158 9.551 0.927 1.00 0.00 N ATOM 388 CA ALA A 29 1.009 10.069 1.620 1.00 0.00 C ATOM 389 C ALA A 29 0.588 11.233 2.519 1.00 0.00 C ATOM 390 O ALA A 29 0.086 12.246 2.036 1.00 0.00 O ATOM 391 CB ALA A 29 2.071 10.477 0.596 1.00 0.00 C ATOM 0 H ALA A 29 -0.791 10.265 0.565 1.00 0.00 H new ATOM 0 HA ALA A 29 1.449 9.302 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.947 10.866 1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.357 9.609 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.667 11.248 -0.060 1.00 0.00 H new ATOM 397 N THR A 30 0.810 11.049 3.813 1.00 0.00 N ATOM 398 CA THR A 30 0.460 12.071 4.785 1.00 0.00 C ATOM 399 C THR A 30 1.490 12.106 5.915 1.00 0.00 C ATOM 400 O THR A 30 2.197 11.127 6.148 1.00 0.00 O ATOM 401 CB THR A 30 -0.965 11.795 5.269 1.00 0.00 C ATOM 402 OG1 THR A 30 -1.054 12.500 6.504 1.00 0.00 O ATOM 403 CG2 THR A 30 -1.177 10.331 5.660 1.00 0.00 C ATOM 0 H THR A 30 1.228 10.208 4.210 1.00 0.00 H new ATOM 0 HA THR A 30 0.480 13.065 4.339 1.00 0.00 H new ATOM 0 HB THR A 30 -1.674 12.068 4.487 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.948 12.377 6.887 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.204 10.189 5.996 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.986 9.693 4.797 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.492 10.067 6.466 1.00 0.00 H new ATOM 411 N ASP A 31 1.543 13.246 6.589 1.00 0.00 N ATOM 412 CA ASP A 31 2.475 13.422 7.690 1.00 0.00 C ATOM 413 C ASP A 31 3.875 13.004 7.239 1.00 0.00 C ATOM 414 O ASP A 31 4.622 13.812 6.688 1.00 0.00 O ATOM 415 CB ASP A 31 2.084 12.553 8.887 1.00 0.00 C ATOM 416 CG ASP A 31 0.968 13.124 9.763 1.00 0.00 C ATOM 417 OD1 ASP A 31 1.189 14.219 10.322 1.00 0.00 O ATOM 418 OD2 ASP A 31 -0.082 12.451 9.854 1.00 0.00 O ATOM 0 H ASP A 31 0.956 14.057 6.394 1.00 0.00 H new ATOM 0 HA ASP A 31 2.455 14.471 7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.773 11.575 8.520 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.967 12.395 9.506 1.00 0.00 H new ATOM 423 N THR A 32 4.190 11.741 7.488 1.00 0.00 N ATOM 424 CA THR A 32 5.488 11.205 7.115 1.00 0.00 C ATOM 425 C THR A 32 5.415 9.684 6.969 1.00 0.00 C ATOM 426 O THR A 32 6.311 8.970 7.419 1.00 0.00 O ATOM 427 CB THR A 32 6.508 11.668 8.157 1.00 0.00 C ATOM 428 OG1 THR A 32 5.929 11.289 9.402 1.00 0.00 O ATOM 429 CG2 THR A 32 6.609 13.192 8.241 1.00 0.00 C ATOM 0 H THR A 32 3.568 11.073 7.944 1.00 0.00 H new ATOM 0 HA THR A 32 5.805 11.578 6.141 1.00 0.00 H new ATOM 0 HB THR A 32 7.487 11.253 7.916 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.526 11.550 10.134 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.346 13.467 8.995 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.914 13.590 7.273 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.639 13.606 8.514 1.00 0.00 H new ATOM 437 N LYS A 33 4.341 9.233 6.340 1.00 0.00 N ATOM 438 CA LYS A 33 4.139 7.809 6.129 1.00 0.00 C ATOM 439 C LYS A 33 3.286 7.599 4.877 1.00 0.00 C ATOM 440 O LYS A 33 2.805 8.561 4.281 1.00 0.00 O ATOM 441 CB LYS A 33 3.558 7.159 7.386 1.00 0.00 C ATOM 442 CG LYS A 33 2.038 7.325 7.437 1.00 0.00 C ATOM 443 CD LYS A 33 1.463 6.729 8.724 1.00 0.00 C ATOM 444 CE LYS A 33 0.802 7.810 9.581 1.00 0.00 C ATOM 445 NZ LYS A 33 -0.532 7.363 10.041 1.00 0.00 N ATOM 0 H LYS A 33 3.600 9.828 5.969 1.00 0.00 H new ATOM 0 HA LYS A 33 5.092 7.311 5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.812 6.099 7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.006 7.608 8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.782 8.383 7.376 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.586 6.838 6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.733 5.958 8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.258 6.245 9.292 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.432 8.037 10.441 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.705 8.730 9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.265 7.969 9.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.688 6.377 9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.582 7.428 11.078 1.00 0.00 H new ATOM 459 N VAL A 34 3.123 6.334 4.516 1.00 0.00 N ATOM 460 CA VAL A 34 2.336 5.985 3.346 1.00 0.00 C ATOM 461 C VAL A 34 1.141 5.132 3.776 1.00 0.00 C ATOM 462 O VAL A 34 1.302 3.966 4.132 1.00 0.00 O ATOM 463 CB VAL A 34 3.221 5.293 2.307 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.374 4.640 1.213 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.232 6.273 1.708 1.00 0.00 C ATOM 0 H VAL A 34 3.523 5.539 5.014 1.00 0.00 H new ATOM 0 HA VAL A 34 1.941 6.883 2.871 1.00 0.00 H new ATOM 0 HB VAL A 34 3.779 4.505 2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.027 4.155 0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.713 3.897 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.777 5.402 0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.848 5.756 0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.701 7.093 1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.868 6.669 2.500 1.00 0.00 H new ATOM 475 N LEU A 35 -0.031 5.748 3.730 1.00 0.00 N ATOM 476 CA LEU A 35 -1.253 5.060 4.111 1.00 0.00 C ATOM 477 C LEU A 35 -1.755 4.229 2.929 1.00 0.00 C ATOM 478 O LEU A 35 -2.160 4.779 1.906 1.00 0.00 O ATOM 479 CB LEU A 35 -2.285 6.056 4.644 1.00 0.00 C ATOM 480 CG LEU A 35 -1.773 7.065 5.674 1.00 0.00 C ATOM 481 CD1 LEU A 35 -2.923 7.897 6.245 1.00 0.00 C ATOM 482 CD2 LEU A 35 -0.969 6.367 6.773 1.00 0.00 C ATOM 0 H LEU A 35 -0.160 6.716 3.435 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.060 4.367 4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.699 6.607 3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.105 5.495 5.091 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.096 7.755 5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.532 8.606 6.974 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.415 8.440 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.643 7.238 6.730 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.617 7.107 7.492 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.602 5.640 7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.114 5.856 6.330 1.00 0.00 H new ATOM 494 N LEU A 36 -1.712 2.917 3.108 1.00 0.00 N ATOM 495 CA LEU A 36 -2.158 2.004 2.069 1.00 0.00 C ATOM 496 C LEU A 36 -3.600 1.580 2.352 1.00 0.00 C ATOM 497 O LEU A 36 -4.046 1.611 3.498 1.00 0.00 O ATOM 498 CB LEU A 36 -1.186 0.830 1.935 1.00 0.00 C ATOM 499 CG LEU A 36 0.227 1.178 1.462 1.00 0.00 C ATOM 500 CD1 LEU A 36 1.007 -0.084 1.089 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.187 2.188 0.313 1.00 0.00 C ATOM 0 H LEU A 36 -1.375 2.464 3.958 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.157 2.501 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.112 0.334 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.613 0.108 1.239 1.00 0.00 H new ATOM 0 HG LEU A 36 0.757 1.651 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.008 0.192 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.081 -0.737 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.489 -0.608 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.204 2.418 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.367 1.765 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.304 3.101 0.648 1.00 0.00 H new ATOM 513 N ASN A 37 -4.289 1.194 1.289 1.00 0.00 N ATOM 514 CA ASN A 37 -5.672 0.764 1.409 1.00 0.00 C ATOM 515 C ASN A 37 -6.071 -0.014 0.153 1.00 0.00 C ATOM 516 O ASN A 37 -5.970 0.502 -0.959 1.00 0.00 O ATOM 517 CB ASN A 37 -6.612 1.963 1.541 1.00 0.00 C ATOM 518 CG ASN A 37 -5.914 3.134 2.236 1.00 0.00 C ATOM 519 OD1 ASN A 37 -5.241 3.929 1.409 1.00 0.00 O flip ATOM 520 ND2 ASN A 37 -5.982 3.304 3.442 1.00 0.00 N flip ATOM 0 H ASN A 37 -3.916 1.170 0.340 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.755 0.141 2.300 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.953 2.273 0.553 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.497 1.675 2.108 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.517 2.655 4.019 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.504 4.095 3.873 1.00 0.00 H new ATOM 527 N TRP A 38 -6.516 -1.242 0.373 1.00 0.00 N ATOM 528 CA TRP A 38 -6.931 -2.096 -0.728 1.00 0.00 C ATOM 529 C TRP A 38 -8.190 -2.848 -0.294 1.00 0.00 C ATOM 530 O TRP A 38 -8.564 -2.817 0.878 1.00 0.00 O ATOM 531 CB TRP A 38 -5.796 -3.028 -1.156 1.00 0.00 C ATOM 532 CG TRP A 38 -5.284 -3.940 -0.040 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.645 -5.203 0.224 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.297 -3.605 0.959 1.00 0.00 C ATOM 535 NE1 TRP A 38 -4.966 -5.705 1.316 1.00 0.00 N ATOM 536 CE2 TRP A 38 -4.120 -4.703 1.777 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.578 -2.415 1.165 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -3.228 -4.719 2.856 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.691 -2.447 2.248 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.501 -3.544 3.080 1.00 0.00 C ATOM 0 H TRP A 38 -6.598 -1.666 1.297 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.168 -1.501 -1.610 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.140 -3.645 -1.986 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.967 -2.426 -1.528 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.375 -5.758 -0.346 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.067 -6.640 1.712 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.700 -1.545 0.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.107 -5.591 3.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.114 -1.557 2.451 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.795 -3.490 3.896 1.00 0.00 H new ATOM 551 N GLU A 39 -8.811 -3.506 -1.262 1.00 0.00 N ATOM 552 CA GLU A 39 -10.021 -4.265 -0.995 1.00 0.00 C ATOM 553 C GLU A 39 -9.676 -5.589 -0.308 1.00 0.00 C ATOM 554 O GLU A 39 -8.531 -5.810 0.082 1.00 0.00 O ATOM 555 CB GLU A 39 -10.813 -4.505 -2.282 1.00 0.00 C ATOM 556 CG GLU A 39 -12.108 -3.690 -2.288 1.00 0.00 C ATOM 557 CD GLU A 39 -13.325 -4.593 -2.074 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.615 -5.383 -2.999 1.00 0.00 O ATOM 559 OE2 GLU A 39 -13.937 -4.474 -0.991 1.00 0.00 O ATOM 0 H GLU A 39 -8.499 -3.529 -2.233 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.651 -3.683 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.204 -4.233 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.046 -5.566 -2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.070 -2.934 -1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.205 -3.162 -3.236 1.00 0.00 H new ATOM 566 N GLN A 40 -10.689 -6.434 -0.182 1.00 0.00 N ATOM 567 CA GLN A 40 -10.508 -7.730 0.450 1.00 0.00 C ATOM 568 C GLN A 40 -10.597 -8.846 -0.592 1.00 0.00 C ATOM 569 O GLN A 40 -11.104 -8.634 -1.692 1.00 0.00 O ATOM 570 CB GLN A 40 -11.529 -7.941 1.569 1.00 0.00 C ATOM 571 CG GLN A 40 -12.949 -7.654 1.077 1.00 0.00 C ATOM 572 CD GLN A 40 -13.986 -8.069 2.123 1.00 0.00 C ATOM 573 OE1 GLN A 40 -13.845 -7.817 3.308 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.033 -8.716 1.620 1.00 0.00 N ATOM 0 H GLN A 40 -11.638 -6.246 -0.507 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.515 -7.758 0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.467 -8.966 1.934 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.293 -7.288 2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.054 -6.592 0.857 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.131 -8.191 0.146 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.089 -8.894 0.617 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.781 -9.034 2.237 1.00 0.00 H new ATOM 583 N VAL A 41 -10.097 -10.012 -0.208 1.00 0.00 N ATOM 584 CA VAL A 41 -10.114 -11.162 -1.096 1.00 0.00 C ATOM 585 C VAL A 41 -10.908 -12.294 -0.441 1.00 0.00 C ATOM 586 O VAL A 41 -10.529 -12.791 0.619 1.00 0.00 O ATOM 587 CB VAL A 41 -8.683 -11.566 -1.456 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.637 -12.998 -1.995 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.072 -10.584 -2.457 1.00 0.00 C ATOM 0 H VAL A 41 -9.678 -10.185 0.706 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.613 -10.914 -2.033 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.085 -11.531 -0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.609 -13.260 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.014 -13.684 -1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.256 -13.070 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.055 -10.894 -2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.671 -10.572 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.054 -9.585 -2.022 1.00 0.00 H new ATOM 599 N LYS A 42 -11.995 -12.669 -1.099 1.00 0.00 N ATOM 600 CA LYS A 42 -12.846 -13.733 -0.594 1.00 0.00 C ATOM 601 C LYS A 42 -12.656 -14.984 -1.454 1.00 0.00 C ATOM 602 O LYS A 42 -12.914 -14.960 -2.657 1.00 0.00 O ATOM 603 CB LYS A 42 -14.299 -13.262 -0.507 1.00 0.00 C ATOM 604 CG LYS A 42 -14.458 -12.167 0.550 1.00 0.00 C ATOM 605 CD LYS A 42 -14.410 -12.755 1.961 1.00 0.00 C ATOM 606 CE LYS A 42 -15.741 -13.418 2.323 1.00 0.00 C ATOM 607 NZ LYS A 42 -15.890 -13.512 3.793 1.00 0.00 N ATOM 0 H LYS A 42 -12.306 -12.255 -1.978 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.560 -13.998 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.622 -12.885 -1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.944 -14.105 -0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.666 -11.427 0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.405 -11.647 0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.605 -13.487 2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.184 -11.967 2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.567 -12.843 1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.790 -14.414 1.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.798 -13.964 4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.112 -14.080 4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.865 -12.558 4.206 1.00 0.00 H new ATOM 621 N ALA A 43 -12.206 -16.048 -0.805 1.00 0.00 N ATOM 622 CA ALA A 43 -11.978 -17.305 -1.495 1.00 0.00 C ATOM 623 C ALA A 43 -13.291 -18.087 -1.569 1.00 0.00 C ATOM 624 O ALA A 43 -13.921 -18.347 -0.545 1.00 0.00 O ATOM 625 CB ALA A 43 -10.873 -18.087 -0.781 1.00 0.00 C ATOM 0 H ALA A 43 -11.993 -16.065 0.192 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.643 -17.126 -2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.702 -19.031 -1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.954 -17.501 -0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.175 -18.287 0.247 1.00 0.00 H new ATOM 677 N GLU A 47 -11.689 -22.834 -2.401 1.00 0.00 N ATOM 678 CA GLU A 47 -10.588 -21.912 -2.176 1.00 0.00 C ATOM 679 C GLU A 47 -10.464 -21.589 -0.685 1.00 0.00 C ATOM 680 O GLU A 47 -11.462 -21.558 0.032 1.00 0.00 O ATOM 681 CB GLU A 47 -10.763 -20.636 -3.001 1.00 0.00 C ATOM 682 CG GLU A 47 -10.908 -20.961 -4.489 1.00 0.00 C ATOM 683 CD GLU A 47 -12.249 -20.462 -5.031 1.00 0.00 C ATOM 684 OE1 GLU A 47 -12.414 -19.224 -5.085 1.00 0.00 O ATOM 685 OE2 GLU A 47 -13.078 -21.330 -5.380 1.00 0.00 O ATOM 0 HA GLU A 47 -9.665 -22.392 -2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.643 -20.094 -2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.905 -19.981 -2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.092 -20.501 -5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.829 -22.038 -4.639 1.00 0.00 H new ATOM 692 N SER A 48 -9.229 -21.357 -0.264 1.00 0.00 N ATOM 693 CA SER A 48 -8.961 -21.037 1.128 1.00 0.00 C ATOM 694 C SER A 48 -9.164 -19.540 1.369 1.00 0.00 C ATOM 695 O SER A 48 -8.706 -18.713 0.582 1.00 0.00 O ATOM 696 CB SER A 48 -7.543 -21.451 1.525 1.00 0.00 C ATOM 697 OG SER A 48 -7.471 -22.826 1.891 1.00 0.00 O ATOM 0 H SER A 48 -8.403 -21.384 -0.862 1.00 0.00 H new ATOM 0 HA SER A 48 -9.661 -21.597 1.749 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.864 -21.261 0.694 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.206 -20.836 2.359 1.00 0.00 H new ATOM 0 HG SER A 48 -6.549 -23.051 2.136 1.00 0.00 H new ATOM 703 N GLU A 49 -9.851 -19.237 2.461 1.00 0.00 N ATOM 704 CA GLU A 49 -10.120 -17.854 2.816 1.00 0.00 C ATOM 705 C GLU A 49 -8.816 -17.129 3.153 1.00 0.00 C ATOM 706 O GLU A 49 -7.799 -17.766 3.424 1.00 0.00 O ATOM 707 CB GLU A 49 -11.111 -17.769 3.978 1.00 0.00 C ATOM 708 CG GLU A 49 -10.413 -18.033 5.314 1.00 0.00 C ATOM 709 CD GLU A 49 -11.334 -18.790 6.273 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.226 -18.128 6.845 1.00 0.00 O ATOM 711 OE2 GLU A 49 -11.124 -20.014 6.413 1.00 0.00 O ATOM 0 H GLU A 49 -10.229 -19.926 3.111 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.575 -17.361 1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.574 -16.782 3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.911 -18.494 3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.504 -18.610 5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.111 -17.087 5.764 1.00 0.00 H new ATOM 718 N VAL A 50 -8.887 -15.806 3.126 1.00 0.00 N ATOM 719 CA VAL A 50 -7.724 -14.987 3.426 1.00 0.00 C ATOM 720 C VAL A 50 -7.697 -14.677 4.924 1.00 0.00 C ATOM 721 O VAL A 50 -8.648 -14.112 5.461 1.00 0.00 O ATOM 722 CB VAL A 50 -7.731 -13.730 2.554 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.604 -12.777 2.958 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.639 -14.091 1.070 1.00 0.00 C ATOM 0 H VAL A 50 -9.732 -15.281 2.901 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.806 -15.525 3.189 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.679 -13.216 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.631 -11.892 2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.733 -12.481 3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.644 -13.279 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.646 -13.179 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.715 -14.639 0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.491 -14.713 0.793 1.00 0.00 H new ATOM 734 N THR A 51 -6.597 -15.060 5.555 1.00 0.00 N ATOM 735 CA THR A 51 -6.433 -14.829 6.980 1.00 0.00 C ATOM 736 C THR A 51 -5.627 -13.552 7.225 1.00 0.00 C ATOM 737 O THR A 51 -5.544 -13.073 8.355 1.00 0.00 O ATOM 738 CB THR A 51 -5.794 -16.078 7.591 1.00 0.00 C ATOM 739 OG1 THR A 51 -4.563 -16.217 6.887 1.00 0.00 O ATOM 740 CG2 THR A 51 -6.565 -17.355 7.252 1.00 0.00 C ATOM 0 H THR A 51 -5.810 -15.529 5.106 1.00 0.00 H new ATOM 0 HA THR A 51 -7.394 -14.667 7.467 1.00 0.00 H new ATOM 0 HB THR A 51 -5.738 -15.965 8.674 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.082 -17.003 7.221 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.070 -18.211 7.710 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.583 -17.278 7.634 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.593 -17.487 6.170 1.00 0.00 H new ATOM 748 N GLY A 52 -5.053 -13.038 6.147 1.00 0.00 N ATOM 749 CA GLY A 52 -4.256 -11.826 6.231 1.00 0.00 C ATOM 750 C GLY A 52 -3.698 -11.441 4.859 1.00 0.00 C ATOM 751 O GLY A 52 -4.162 -11.939 3.834 1.00 0.00 O ATOM 0 H GLY A 52 -5.124 -13.438 5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.866 -11.011 6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.435 -11.974 6.933 1.00 0.00 H new ATOM 755 N TYR A 53 -2.711 -10.557 4.883 1.00 0.00 N ATOM 756 CA TYR A 53 -2.085 -10.100 3.654 1.00 0.00 C ATOM 757 C TYR A 53 -0.619 -9.730 3.890 1.00 0.00 C ATOM 758 O TYR A 53 -0.195 -9.557 5.031 1.00 0.00 O ATOM 759 CB TYR A 53 -2.853 -8.846 3.231 1.00 0.00 C ATOM 760 CG TYR A 53 -4.222 -9.135 2.611 1.00 0.00 C ATOM 761 CD1 TYR A 53 -5.339 -9.224 3.415 1.00 0.00 C ATOM 762 CD2 TYR A 53 -4.338 -9.306 1.246 1.00 0.00 C ATOM 763 CE1 TYR A 53 -6.627 -9.495 2.831 1.00 0.00 C ATOM 764 CE2 TYR A 53 -5.626 -9.577 0.662 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.707 -9.659 1.483 1.00 0.00 C ATOM 766 OH TYR A 53 -7.924 -9.915 0.932 1.00 0.00 O ATOM 0 H TYR A 53 -2.329 -10.145 5.735 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.111 -10.883 2.896 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.988 -8.204 4.101 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.251 -8.288 2.514 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.248 -9.090 4.483 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.463 -9.237 0.617 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.510 -9.566 3.449 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.731 -9.712 -0.404 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.008 -9.430 0.084 1.00 0.00 H new ATOM 776 N LYS A 54 0.114 -9.620 2.792 1.00 0.00 N ATOM 777 CA LYS A 54 1.523 -9.273 2.865 1.00 0.00 C ATOM 778 C LYS A 54 1.788 -8.046 1.991 1.00 0.00 C ATOM 779 O LYS A 54 1.602 -8.093 0.776 1.00 0.00 O ATOM 780 CB LYS A 54 2.391 -10.482 2.507 1.00 0.00 C ATOM 781 CG LYS A 54 2.389 -11.512 3.638 1.00 0.00 C ATOM 782 CD LYS A 54 3.422 -12.611 3.380 1.00 0.00 C ATOM 783 CE LYS A 54 3.749 -13.369 4.668 1.00 0.00 C ATOM 784 NZ LYS A 54 4.881 -14.297 4.451 1.00 0.00 N ATOM 0 H LYS A 54 -0.241 -9.765 1.847 1.00 0.00 H new ATOM 0 HA LYS A 54 1.797 -9.003 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.020 -10.942 1.591 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.412 -10.156 2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.607 -11.018 4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.397 -11.954 3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.040 -13.306 2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.332 -12.171 2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.997 -12.662 5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.873 -13.926 5.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.089 -14.803 5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.631 -14.983 3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.720 -13.758 4.155 1.00 0.00 H new ATOM 798 N VAL A 55 2.218 -6.976 2.644 1.00 0.00 N ATOM 799 CA VAL A 55 2.510 -5.738 1.941 1.00 0.00 C ATOM 800 C VAL A 55 3.969 -5.751 1.480 1.00 0.00 C ATOM 801 O VAL A 55 4.874 -5.474 2.266 1.00 0.00 O ATOM 802 CB VAL A 55 2.175 -4.540 2.831 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.396 -3.223 2.084 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.743 -4.635 3.363 1.00 0.00 C ATOM 0 H VAL A 55 2.371 -6.941 3.652 1.00 0.00 H new ATOM 0 HA VAL A 55 1.888 -5.648 1.050 1.00 0.00 H new ATOM 0 HB VAL A 55 2.852 -4.558 3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.150 -2.387 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.439 -3.149 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.756 -3.193 1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.531 -3.771 3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.045 -4.655 2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.632 -5.547 3.949 1.00 0.00 H new ATOM 814 N PHE A 56 4.152 -6.074 0.209 1.00 0.00 N ATOM 815 CA PHE A 56 5.485 -6.126 -0.366 1.00 0.00 C ATOM 816 C PHE A 56 5.909 -4.754 -0.895 1.00 0.00 C ATOM 817 O PHE A 56 5.497 -4.349 -1.980 1.00 0.00 O ATOM 818 CB PHE A 56 5.431 -7.114 -1.533 1.00 0.00 C ATOM 819 CG PHE A 56 5.391 -8.582 -1.104 1.00 0.00 C ATOM 820 CD1 PHE A 56 4.200 -9.178 -0.830 1.00 0.00 C ATOM 821 CD2 PHE A 56 6.547 -9.291 -0.998 1.00 0.00 C ATOM 822 CE1 PHE A 56 4.164 -10.541 -0.431 1.00 0.00 C ATOM 823 CE2 PHE A 56 6.511 -10.653 -0.600 1.00 0.00 C ATOM 824 CZ PHE A 56 5.319 -11.250 -0.325 1.00 0.00 C ATOM 0 H PHE A 56 3.399 -6.303 -0.440 1.00 0.00 H new ATOM 0 HA PHE A 56 6.205 -6.431 0.393 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.550 -6.899 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.301 -6.956 -2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.282 -8.616 -0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.493 -8.817 -1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.218 -11.014 -0.212 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.429 -11.215 -0.515 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.291 -12.286 -0.023 1.00 0.00 H new ATOM 834 N TYR A 57 6.726 -4.076 -0.102 1.00 0.00 N ATOM 835 CA TYR A 57 7.209 -2.758 -0.476 1.00 0.00 C ATOM 836 C TYR A 57 8.707 -2.791 -0.785 1.00 0.00 C ATOM 837 O TYR A 57 9.483 -3.403 -0.052 1.00 0.00 O ATOM 838 CB TYR A 57 6.972 -1.861 0.740 1.00 0.00 C ATOM 839 CG TYR A 57 7.492 -2.445 2.056 1.00 0.00 C ATOM 840 CD1 TYR A 57 8.787 -2.189 2.460 1.00 0.00 C ATOM 841 CD2 TYR A 57 6.667 -3.227 2.838 1.00 0.00 C ATOM 842 CE1 TYR A 57 9.276 -2.738 3.697 1.00 0.00 C ATOM 843 CE2 TYR A 57 7.157 -3.776 4.075 1.00 0.00 C ATOM 844 CZ TYR A 57 8.437 -3.505 4.444 1.00 0.00 C ATOM 845 OH TYR A 57 8.900 -4.024 5.613 1.00 0.00 O ATOM 0 H TYR A 57 7.066 -4.415 0.798 1.00 0.00 H new ATOM 0 HA TYR A 57 6.694 -2.399 -1.367 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.452 -0.898 0.567 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.903 -1.672 0.836 1.00 0.00 H new ATOM 0 HD1 TYR A 57 9.433 -1.577 1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.654 -3.427 2.522 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.287 -2.545 4.025 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.522 -4.390 4.696 1.00 0.00 H new ATOM 0 HH TYR A 57 8.192 -4.549 6.041 1.00 0.00 H new ATOM 855 N ARG A 58 9.069 -2.126 -1.873 1.00 0.00 N ATOM 856 CA ARG A 58 10.461 -2.072 -2.288 1.00 0.00 C ATOM 857 C ARG A 58 10.707 -0.838 -3.158 1.00 0.00 C ATOM 858 O ARG A 58 9.848 -0.449 -3.948 1.00 0.00 O ATOM 859 CB ARG A 58 10.851 -3.326 -3.072 1.00 0.00 C ATOM 860 CG ARG A 58 9.741 -3.733 -4.044 1.00 0.00 C ATOM 861 CD ARG A 58 10.317 -4.467 -5.257 1.00 0.00 C ATOM 862 NE ARG A 58 10.870 -3.492 -6.223 1.00 0.00 N ATOM 863 CZ ARG A 58 11.536 -3.832 -7.335 1.00 0.00 C ATOM 864 NH1 ARG A 58 11.736 -5.124 -7.628 1.00 0.00 N ATOM 865 NH2 ARG A 58 12.002 -2.880 -8.155 1.00 0.00 N ATOM 0 H ARG A 58 8.423 -1.620 -2.479 1.00 0.00 H new ATOM 0 HA ARG A 58 11.074 -2.015 -1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.773 -3.142 -3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.051 -4.144 -2.380 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.023 -4.375 -3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.199 -2.847 -4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.098 -5.158 -4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.540 -5.063 -5.734 1.00 0.00 H new ATOM 0 HE ARG A 58 10.736 -2.499 -6.030 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.381 -5.849 -7.005 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.243 -5.382 -8.475 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.850 -1.896 -7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.509 -3.139 -9.001 1.00 0.00 H new ATOM 879 N THR A 59 11.884 -0.256 -2.984 1.00 0.00 N ATOM 880 CA THR A 59 12.254 0.926 -3.744 1.00 0.00 C ATOM 881 C THR A 59 12.278 0.612 -5.241 1.00 0.00 C ATOM 882 O THR A 59 12.172 -0.547 -5.638 1.00 0.00 O ATOM 883 CB THR A 59 13.595 1.432 -3.208 1.00 0.00 C ATOM 884 OG1 THR A 59 13.378 1.573 -1.806 1.00 0.00 O ATOM 885 CG2 THR A 59 13.916 2.852 -3.679 1.00 0.00 C ATOM 0 H THR A 59 12.594 -0.581 -2.328 1.00 0.00 H new ATOM 0 HA THR A 59 11.518 1.721 -3.622 1.00 0.00 H new ATOM 0 HB THR A 59 14.390 0.756 -3.524 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.199 1.896 -1.379 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.878 3.162 -3.270 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.961 2.873 -4.768 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.139 3.534 -3.335 1.00 0.00 H new ATOM 893 N SER A 60 12.419 1.666 -6.032 1.00 0.00 N ATOM 894 CA SER A 60 12.459 1.517 -7.477 1.00 0.00 C ATOM 895 C SER A 60 13.563 0.535 -7.872 1.00 0.00 C ATOM 896 O SER A 60 13.530 -0.037 -8.960 1.00 0.00 O ATOM 897 CB SER A 60 12.678 2.866 -8.164 1.00 0.00 C ATOM 898 OG SER A 60 13.998 2.993 -8.684 1.00 0.00 O ATOM 0 H SER A 60 12.507 2.626 -5.700 1.00 0.00 H new ATOM 0 HA SER A 60 11.497 1.124 -7.807 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.957 2.982 -8.973 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.490 3.670 -7.452 1.00 0.00 H new ATOM 0 HG SER A 60 14.097 3.867 -9.116 1.00 0.00 H new ATOM 960 N VAL A 65 12.622 -7.290 -1.790 1.00 0.00 N ATOM 961 CA VAL A 65 11.453 -6.628 -1.237 1.00 0.00 C ATOM 962 C VAL A 65 11.158 -7.198 0.152 1.00 0.00 C ATOM 963 O VAL A 65 11.493 -8.347 0.439 1.00 0.00 O ATOM 964 CB VAL A 65 10.272 -6.760 -2.200 1.00 0.00 C ATOM 965 CG1 VAL A 65 9.889 -8.228 -2.400 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.073 -5.942 -1.714 1.00 0.00 C ATOM 0 HA VAL A 65 11.640 -5.561 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 65 10.581 -6.360 -3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.047 -8.294 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.738 -8.773 -2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.609 -8.665 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.247 -6.054 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.764 -6.298 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.353 -4.891 -1.647 1.00 0.00 H new ATOM 976 N GLN A 66 10.535 -6.370 0.977 1.00 0.00 N ATOM 977 CA GLN A 66 10.191 -6.777 2.328 1.00 0.00 C ATOM 978 C GLN A 66 8.727 -7.218 2.394 1.00 0.00 C ATOM 979 O GLN A 66 7.998 -7.112 1.409 1.00 0.00 O ATOM 980 CB GLN A 66 10.470 -5.653 3.328 1.00 0.00 C ATOM 981 CG GLN A 66 11.897 -5.746 3.872 1.00 0.00 C ATOM 982 CD GLN A 66 11.912 -5.612 5.397 1.00 0.00 C ATOM 983 OE1 GLN A 66 11.160 -6.255 6.109 1.00 0.00 O ATOM 984 NE2 GLN A 66 12.808 -4.742 5.855 1.00 0.00 N ATOM 0 H GLN A 66 10.259 -5.418 0.735 1.00 0.00 H new ATOM 0 HA GLN A 66 10.819 -7.626 2.601 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.323 -4.687 2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.758 -5.709 4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.339 -6.699 3.583 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.511 -4.962 3.428 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.407 -4.236 5.203 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.896 -4.581 6.858 1.00 0.00 H new ATOM 993 N VAL A 67 8.341 -7.704 3.565 1.00 0.00 N ATOM 994 CA VAL A 67 6.977 -8.162 3.772 1.00 0.00 C ATOM 995 C VAL A 67 6.479 -7.666 5.131 1.00 0.00 C ATOM 996 O VAL A 67 7.184 -7.776 6.132 1.00 0.00 O ATOM 997 CB VAL A 67 6.909 -9.683 3.628 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.637 -10.238 4.273 1.00 0.00 C ATOM 999 CG2 VAL A 67 7.005 -10.100 2.159 1.00 0.00 C ATOM 0 H VAL A 67 8.948 -7.791 4.380 1.00 0.00 H new ATOM 0 HA VAL A 67 6.314 -7.748 3.012 1.00 0.00 H new ATOM 0 HB VAL A 67 7.765 -10.108 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.613 -11.322 4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.627 -9.987 5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.763 -9.802 3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.954 -11.186 2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.179 -9.659 1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.950 -9.752 1.743 1.00 0.00 H new ATOM 1009 N LEU A 68 5.267 -7.131 5.121 1.00 0.00 N ATOM 1010 CA LEU A 68 4.665 -6.619 6.341 1.00 0.00 C ATOM 1011 C LEU A 68 3.383 -7.399 6.639 1.00 0.00 C ATOM 1012 O LEU A 68 2.519 -7.534 5.773 1.00 0.00 O ATOM 1013 CB LEU A 68 4.456 -5.106 6.240 1.00 0.00 C ATOM 1014 CG LEU A 68 3.189 -4.559 6.901 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.438 -3.173 7.499 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.016 -4.558 5.919 1.00 0.00 C ATOM 0 H LEU A 68 4.685 -7.041 4.288 1.00 0.00 H new ATOM 0 HA LEU A 68 5.333 -6.770 7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.318 -4.609 6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.440 -4.831 5.185 1.00 0.00 H new ATOM 0 HG LEU A 68 2.919 -5.221 7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.522 -2.807 7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.225 -3.237 8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.745 -2.486 6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.128 -4.165 6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.261 -3.932 5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.823 -5.576 5.582 1.00 0.00 H new ATOM 1028 N ASN A 69 3.300 -7.891 7.866 1.00 0.00 N ATOM 1029 CA ASN A 69 2.137 -8.653 8.289 1.00 0.00 C ATOM 1030 C ASN A 69 0.998 -7.691 8.631 1.00 0.00 C ATOM 1031 O ASN A 69 1.208 -6.697 9.324 1.00 0.00 O ATOM 1032 CB ASN A 69 2.447 -9.482 9.537 1.00 0.00 C ATOM 1033 CG ASN A 69 2.431 -10.979 9.220 1.00 0.00 C ATOM 1034 OD1 ASN A 69 1.409 -11.642 9.282 1.00 0.00 O ATOM 1035 ND2 ASN A 69 3.617 -11.472 8.877 1.00 0.00 N ATOM 0 H ASN A 69 4.019 -7.777 8.581 1.00 0.00 H new ATOM 0 HA ASN A 69 1.856 -9.319 7.474 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.424 -9.201 9.931 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.715 -9.264 10.314 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.711 -12.461 8.646 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.433 -10.861 8.845 1.00 0.00 H new ATOM 1042 N THR A 70 -0.183 -8.021 8.128 1.00 0.00 N ATOM 1043 CA THR A 70 -1.355 -7.198 8.372 1.00 0.00 C ATOM 1044 C THR A 70 -2.627 -8.045 8.290 1.00 0.00 C ATOM 1045 O THR A 70 -2.880 -8.695 7.277 1.00 0.00 O ATOM 1046 CB THR A 70 -1.333 -6.037 7.376 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.478 -5.261 7.721 1.00 0.00 O ATOM 1048 CG2 THR A 70 -1.611 -6.491 5.941 1.00 0.00 C ATOM 0 H THR A 70 -0.353 -8.846 7.553 1.00 0.00 H new ATOM 0 HA THR A 70 -1.343 -6.781 9.379 1.00 0.00 H new ATOM 0 HB THR A 70 -0.363 -5.541 7.419 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.271 -4.700 8.498 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.584 -5.629 5.275 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.852 -7.211 5.634 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.595 -6.957 5.891 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.394 -8.009 9.370 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.633 -8.765 9.433 1.00 0.00 C ATOM 1058 C ASN A 71 -5.790 -7.879 8.968 1.00 0.00 C ATOM 1059 O ASN A 71 -6.946 -8.136 9.301 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.930 -9.217 10.865 1.00 0.00 C ATOM 1061 CG ASN A 71 -4.193 -10.518 11.192 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -4.132 -11.444 10.400 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -3.640 -10.536 12.401 1.00 0.00 N ATOM 0 H ASN A 71 -3.181 -7.468 10.208 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.527 -9.641 8.793 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.629 -8.438 11.566 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.003 -9.361 10.990 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.127 -11.360 12.715 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.729 -9.726 13.015 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.439 -6.854 8.206 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.434 -5.928 7.692 1.00 0.00 C ATOM 1072 C LYS A 72 -6.258 -5.786 6.179 1.00 0.00 C ATOM 1073 O LYS A 72 -5.493 -6.529 5.566 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.370 -4.599 8.446 1.00 0.00 C ATOM 1075 CG LYS A 72 -4.921 -4.143 8.632 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.821 -3.054 9.701 1.00 0.00 C ATOM 1077 CE LYS A 72 -3.717 -2.051 9.361 1.00 0.00 C ATOM 1078 NZ LYS A 72 -3.920 -0.786 10.103 1.00 0.00 N ATOM 0 H LYS A 72 -4.479 -6.644 7.932 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.439 -6.315 7.862 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.927 -3.839 7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.849 -4.706 9.419 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.302 -4.994 8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.531 -3.766 7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.775 -2.534 9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.618 -3.509 10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.744 -2.474 9.611 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.714 -1.854 8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.162 -0.116 9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.840 -0.376 9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.900 -0.976 11.125 1.00 0.00 H new ATOM 1092 N THR A 73 -6.979 -4.826 5.619 1.00 0.00 N ATOM 1093 CA THR A 73 -6.913 -4.577 4.189 1.00 0.00 C ATOM 1094 C THR A 73 -6.142 -3.285 3.908 1.00 0.00 C ATOM 1095 O THR A 73 -6.147 -2.787 2.783 1.00 0.00 O ATOM 1096 CB THR A 73 -8.342 -4.562 3.644 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.125 -4.090 4.737 1.00 0.00 O ATOM 1098 CG2 THR A 73 -8.883 -5.968 3.379 1.00 0.00 C ATOM 0 H THR A 73 -7.612 -4.211 6.130 1.00 0.00 H new ATOM 0 HA THR A 73 -6.363 -5.366 3.676 1.00 0.00 H new ATOM 0 HB THR A 73 -8.372 -3.982 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.067 -4.047 4.470 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.900 -5.900 2.993 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.250 -6.469 2.647 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.885 -6.538 4.308 1.00 0.00 H new ATOM 1106 N SER A 74 -5.498 -2.779 4.950 1.00 0.00 N ATOM 1107 CA SER A 74 -4.725 -1.555 4.829 1.00 0.00 C ATOM 1108 C SER A 74 -3.334 -1.754 5.435 1.00 0.00 C ATOM 1109 O SER A 74 -3.030 -2.821 5.966 1.00 0.00 O ATOM 1110 CB SER A 74 -5.437 -0.384 5.509 1.00 0.00 C ATOM 1111 OG SER A 74 -5.923 -0.733 6.802 1.00 0.00 O ATOM 0 H SER A 74 -5.496 -3.195 5.881 1.00 0.00 H new ATOM 0 HA SER A 74 -4.624 -1.317 3.770 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.750 0.458 5.595 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.268 -0.054 4.886 1.00 0.00 H new ATOM 0 HG SER A 74 -6.369 0.041 7.204 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.525 -0.709 5.335 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.174 -0.755 5.867 1.00 0.00 C ATOM 1119 C ALA A 75 -0.609 0.665 5.935 1.00 0.00 C ATOM 1120 O ALA A 75 -1.255 1.616 5.498 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.317 -1.682 5.003 1.00 0.00 C ATOM 0 H ALA A 75 -2.780 0.174 4.893 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.173 -1.159 6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.697 -1.717 5.402 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.745 -2.685 5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.292 -1.306 3.980 1.00 0.00 H new ATOM 1127 N GLU A 76 0.592 0.764 6.488 1.00 0.00 N ATOM 1128 CA GLU A 76 1.251 2.052 6.619 1.00 0.00 C ATOM 1129 C GLU A 76 2.768 1.885 6.513 1.00 0.00 C ATOM 1130 O GLU A 76 3.383 1.223 7.348 1.00 0.00 O ATOM 1131 CB GLU A 76 0.865 2.735 7.933 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.593 3.198 7.902 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.052 3.656 9.288 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -0.951 2.830 10.220 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -1.495 4.821 9.383 1.00 0.00 O ATOM 0 H GLU A 76 1.125 -0.027 6.850 1.00 0.00 H new ATOM 0 HA GLU A 76 0.918 2.693 5.803 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.014 2.045 8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.518 3.590 8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.704 4.016 7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.230 2.384 7.555 1.00 0.00 H new ATOM 1142 N LEU A 77 3.328 2.497 5.481 1.00 0.00 N ATOM 1143 CA LEU A 77 4.762 2.424 5.255 1.00 0.00 C ATOM 1144 C LEU A 77 5.389 3.790 5.543 1.00 0.00 C ATOM 1145 O LEU A 77 4.695 4.725 5.940 1.00 0.00 O ATOM 1146 CB LEU A 77 5.057 1.897 3.850 1.00 0.00 C ATOM 1147 CG LEU A 77 4.466 0.527 3.510 1.00 0.00 C ATOM 1148 CD1 LEU A 77 5.020 -0.555 4.438 1.00 0.00 C ATOM 1149 CD2 LEU A 77 2.937 0.571 3.528 1.00 0.00 C ATOM 0 H LEU A 77 2.815 3.046 4.791 1.00 0.00 H new ATOM 0 HA LEU A 77 5.220 1.711 5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.684 2.621 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.138 1.846 3.722 1.00 0.00 H new ATOM 0 HG LEU A 77 4.769 0.266 2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.584 -1.519 4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.104 -0.606 4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.768 -0.313 5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.542 -0.415 3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.593 0.864 4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.585 1.296 2.794 1.00 0.00 H new ATOM 1161 N VAL A 78 6.695 3.862 5.333 1.00 0.00 N ATOM 1162 CA VAL A 78 7.424 5.097 5.566 1.00 0.00 C ATOM 1163 C VAL A 78 7.400 5.945 4.292 1.00 0.00 C ATOM 1164 O VAL A 78 6.688 5.625 3.342 1.00 0.00 O ATOM 1165 CB VAL A 78 8.841 4.786 6.050 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.817 3.795 7.216 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.710 4.263 4.904 1.00 0.00 C ATOM 0 H VAL A 78 7.267 3.085 5.004 1.00 0.00 H new ATOM 0 HA VAL A 78 6.947 5.679 6.354 1.00 0.00 H new ATOM 0 HB VAL A 78 9.284 5.715 6.409 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.837 3.591 7.541 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.251 4.221 8.044 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.346 2.866 6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.712 4.050 5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.270 3.350 4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.767 5.016 4.118 1.00 0.00 H new ATOM 1177 N LEU A 79 8.187 7.011 4.315 1.00 0.00 N ATOM 1178 CA LEU A 79 8.266 7.908 3.174 1.00 0.00 C ATOM 1179 C LEU A 79 9.520 7.582 2.360 1.00 0.00 C ATOM 1180 O LEU A 79 10.605 7.431 2.919 1.00 0.00 O ATOM 1181 CB LEU A 79 8.191 9.365 3.632 1.00 0.00 C ATOM 1182 CG LEU A 79 8.973 9.710 4.901 1.00 0.00 C ATOM 1183 CD1 LEU A 79 10.448 9.328 4.758 1.00 0.00 C ATOM 1184 CD2 LEU A 79 8.797 11.185 5.270 1.00 0.00 C ATOM 0 H LEU A 79 8.775 7.274 5.106 1.00 0.00 H new ATOM 0 HA LEU A 79 7.411 7.762 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.553 9.999 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.144 9.621 3.793 1.00 0.00 H new ATOM 0 HG LEU A 79 8.566 9.121 5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.981 9.584 5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.530 8.256 4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.885 9.871 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.363 11.404 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.161 11.810 4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.741 11.393 5.443 1.00 0.00 H new ATOM 1196 N PRO A 80 9.324 7.481 1.018 1.00 0.00 N ATOM 1197 CA PRO A 80 10.426 7.176 0.122 1.00 0.00 C ATOM 1198 C PRO A 80 11.332 8.394 -0.068 1.00 0.00 C ATOM 1199 O PRO A 80 10.912 9.402 -0.634 1.00 0.00 O ATOM 1200 CB PRO A 80 9.768 6.718 -1.170 1.00 0.00 C ATOM 1201 CG PRO A 80 8.335 7.224 -1.109 1.00 0.00 C ATOM 1202 CD PRO A 80 8.052 7.653 0.321 1.00 0.00 C ATOM 0 HA PRO A 80 11.085 6.401 0.515 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.288 7.122 -2.038 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.795 5.632 -1.259 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.197 8.061 -1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.641 6.442 -1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.714 8.688 0.364 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.269 7.042 0.770 1.00 0.00 H new ATOM 1210 N ILE A 81 12.557 8.262 0.417 1.00 0.00 N ATOM 1211 CA ILE A 81 13.526 9.339 0.308 1.00 0.00 C ATOM 1212 C ILE A 81 13.875 9.558 -1.165 1.00 0.00 C ATOM 1213 O ILE A 81 13.782 10.676 -1.669 1.00 0.00 O ATOM 1214 CB ILE A 81 14.742 9.058 1.193 1.00 0.00 C ATOM 1215 CG1 ILE A 81 14.336 8.949 2.664 1.00 0.00 C ATOM 1216 CG2 ILE A 81 15.833 10.109 0.976 1.00 0.00 C ATOM 1217 CD1 ILE A 81 14.224 7.485 3.095 1.00 0.00 C ATOM 0 H ILE A 81 12.901 7.425 0.887 1.00 0.00 H new ATOM 0 HA ILE A 81 13.101 10.272 0.678 1.00 0.00 H new ATOM 0 HB ILE A 81 15.161 8.095 0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 81 15.071 9.460 3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.381 9.452 2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 81 16.686 9.886 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.149 10.095 -0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.442 11.096 1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 81 13.934 7.436 4.145 1.00 0.00 H new ATOM 0 HD12 ILE A 81 13.471 6.983 2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 81 15.187 6.992 2.961 1.00 0.00 H new ATOM 1229 N LYS A 82 14.270 8.473 -1.814 1.00 0.00 N ATOM 1230 CA LYS A 82 14.634 8.533 -3.220 1.00 0.00 C ATOM 1231 C LYS A 82 14.111 7.283 -3.931 1.00 0.00 C ATOM 1232 O LYS A 82 13.751 6.301 -3.284 1.00 0.00 O ATOM 1233 CB LYS A 82 16.142 8.742 -3.375 1.00 0.00 C ATOM 1234 CG LYS A 82 16.453 10.169 -3.832 1.00 0.00 C ATOM 1235 CD LYS A 82 17.657 10.736 -3.078 1.00 0.00 C ATOM 1236 CE LYS A 82 17.893 12.203 -3.446 1.00 0.00 C ATOM 1237 NZ LYS A 82 19.317 12.431 -3.778 1.00 0.00 N ATOM 0 H LYS A 82 14.346 7.547 -1.393 1.00 0.00 H new ATOM 0 HA LYS A 82 14.165 9.393 -3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.640 8.544 -2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.539 8.030 -4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.654 10.176 -4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.583 10.805 -3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.492 10.649 -2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.546 10.151 -3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.267 12.476 -4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.600 12.844 -2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.460 13.431 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.908 12.189 -2.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 19.585 11.833 -4.585 1.00 0.00 H new ATOM 1251 N GLU A 83 14.085 7.361 -5.254 1.00 0.00 N ATOM 1252 CA GLU A 83 13.611 6.249 -6.060 1.00 0.00 C ATOM 1253 C GLU A 83 12.147 5.945 -5.737 1.00 0.00 C ATOM 1254 O GLU A 83 11.733 6.020 -4.581 1.00 0.00 O ATOM 1255 CB GLU A 83 14.486 5.011 -5.853 1.00 0.00 C ATOM 1256 CG GLU A 83 15.749 5.082 -6.715 1.00 0.00 C ATOM 1257 CD GLU A 83 17.007 4.952 -5.854 1.00 0.00 C ATOM 1258 OE1 GLU A 83 16.973 5.467 -4.716 1.00 0.00 O ATOM 1259 OE2 GLU A 83 17.976 4.339 -6.355 1.00 0.00 O ATOM 0 H GLU A 83 14.385 8.177 -5.787 1.00 0.00 H new ATOM 0 HA GLU A 83 13.680 6.532 -7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.763 4.928 -4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.919 4.115 -6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.730 4.287 -7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.771 6.027 -7.257 1.00 0.00 H new ATOM 1266 N ASP A 84 11.402 5.608 -6.780 1.00 0.00 N ATOM 1267 CA ASP A 84 9.992 5.292 -6.622 1.00 0.00 C ATOM 1268 C ASP A 84 9.841 4.135 -5.634 1.00 0.00 C ATOM 1269 O ASP A 84 10.834 3.581 -5.163 1.00 0.00 O ATOM 1270 CB ASP A 84 9.372 4.862 -7.953 1.00 0.00 C ATOM 1271 CG ASP A 84 8.809 6.003 -8.803 1.00 0.00 C ATOM 1272 OD1 ASP A 84 9.341 7.126 -8.670 1.00 0.00 O ATOM 1273 OD2 ASP A 84 7.858 5.726 -9.566 1.00 0.00 O ATOM 0 H ASP A 84 11.748 5.547 -7.738 1.00 0.00 H new ATOM 0 HA ASP A 84 9.484 6.186 -6.260 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.128 4.334 -8.535 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.571 4.151 -7.751 1.00 0.00 H new ATOM 1278 N TYR A 85 8.590 3.803 -5.347 1.00 0.00 N ATOM 1279 CA TYR A 85 8.296 2.721 -4.423 1.00 0.00 C ATOM 1280 C TYR A 85 7.343 1.705 -5.055 1.00 0.00 C ATOM 1281 O TYR A 85 6.235 2.055 -5.458 1.00 0.00 O ATOM 1282 CB TYR A 85 7.608 3.369 -3.220 1.00 0.00 C ATOM 1283 CG TYR A 85 7.967 2.729 -1.878 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.269 2.350 -1.621 1.00 0.00 C ATOM 1285 CD2 TYR A 85 6.989 2.530 -0.925 1.00 0.00 C ATOM 1286 CE1 TYR A 85 9.607 1.747 -0.357 1.00 0.00 C ATOM 1287 CE2 TYR A 85 7.327 1.927 0.339 1.00 0.00 C ATOM 1288 CZ TYR A 85 8.619 1.566 0.560 1.00 0.00 C ATOM 1289 OH TYR A 85 8.938 0.996 1.753 1.00 0.00 O ATOM 0 H TYR A 85 7.769 4.265 -5.738 1.00 0.00 H new ATOM 0 HA TYR A 85 9.209 2.192 -4.147 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.873 4.426 -3.189 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.528 3.315 -3.359 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.034 2.505 -2.367 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.970 2.826 -1.127 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.622 1.446 -0.143 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.571 1.765 1.094 1.00 0.00 H new ATOM 0 HH TYR A 85 8.686 0.049 1.741 1.00 0.00 H new ATOM 1299 N ILE A 86 7.808 0.466 -5.120 1.00 0.00 N ATOM 1300 CA ILE A 86 7.011 -0.604 -5.696 1.00 0.00 C ATOM 1301 C ILE A 86 6.361 -1.412 -4.571 1.00 0.00 C ATOM 1302 O ILE A 86 7.018 -2.234 -3.933 1.00 0.00 O ATOM 1303 CB ILE A 86 7.857 -1.449 -6.651 1.00 0.00 C ATOM 1304 CG1 ILE A 86 8.942 -0.601 -7.317 1.00 0.00 C ATOM 1305 CG2 ILE A 86 6.976 -2.163 -7.677 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.336 0.623 -8.006 1.00 0.00 C ATOM 0 H ILE A 86 8.727 0.179 -4.783 1.00 0.00 H new ATOM 0 HA ILE A 86 6.203 -0.193 -6.302 1.00 0.00 H new ATOM 0 HB ILE A 86 8.363 -2.220 -6.070 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.667 -0.280 -6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.482 -1.203 -8.047 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.602 -2.757 -8.344 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.273 -2.817 -7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.424 -1.425 -8.259 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.129 1.208 -8.471 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.629 0.298 -8.769 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.817 1.236 -7.269 1.00 0.00 H new ATOM 1318 N ILE A 87 5.079 -1.150 -4.361 1.00 0.00 N ATOM 1319 CA ILE A 87 4.334 -1.843 -3.324 1.00 0.00 C ATOM 1320 C ILE A 87 3.486 -2.945 -3.962 1.00 0.00 C ATOM 1321 O ILE A 87 2.924 -2.756 -5.040 1.00 0.00 O ATOM 1322 CB ILE A 87 3.524 -0.848 -2.491 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.285 0.467 -2.314 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.116 -1.459 -1.149 1.00 0.00 C ATOM 1325 CD1 ILE A 87 3.902 1.151 -1.000 1.00 0.00 C ATOM 0 H ILE A 87 4.538 -0.467 -4.891 1.00 0.00 H new ATOM 0 HA ILE A 87 5.015 -2.329 -2.625 1.00 0.00 H new ATOM 0 HB ILE A 87 2.606 -0.619 -3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.358 0.275 -2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.069 1.132 -3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.541 -0.730 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.506 -2.346 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.009 -1.737 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.458 2.083 -0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.833 1.364 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.142 0.494 -0.164 1.00 0.00 H new ATOM 1337 N GLU A 88 3.419 -4.072 -3.268 1.00 0.00 N ATOM 1338 CA GLU A 88 2.649 -5.205 -3.753 1.00 0.00 C ATOM 1339 C GLU A 88 1.832 -5.818 -2.614 1.00 0.00 C ATOM 1340 O GLU A 88 2.389 -6.222 -1.594 1.00 0.00 O ATOM 1341 CB GLU A 88 3.560 -6.251 -4.400 1.00 0.00 C ATOM 1342 CG GLU A 88 3.643 -6.045 -5.913 1.00 0.00 C ATOM 1343 CD GLU A 88 3.294 -7.332 -6.662 1.00 0.00 C ATOM 1344 OE1 GLU A 88 3.858 -8.381 -6.282 1.00 0.00 O ATOM 1345 OE2 GLU A 88 2.470 -7.239 -7.598 1.00 0.00 O ATOM 0 H GLU A 88 3.885 -4.225 -2.374 1.00 0.00 H new ATOM 0 HA GLU A 88 1.959 -4.850 -4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.558 -6.188 -3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.182 -7.250 -4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.961 -5.249 -6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.648 -5.723 -6.185 1.00 0.00 H new ATOM 1352 N VAL A 89 0.525 -5.869 -2.826 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.373 -6.426 -1.830 1.00 0.00 C ATOM 1354 C VAL A 89 -0.617 -7.905 -2.139 1.00 0.00 C ATOM 1355 O VAL A 89 -0.922 -8.263 -3.275 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.664 -5.607 -1.773 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.605 -6.140 -0.691 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.363 -4.123 -1.556 1.00 0.00 C ATOM 0 H VAL A 89 0.067 -5.533 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 89 0.076 -6.371 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.168 -5.709 -2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.515 -5.540 -0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.859 -7.177 -0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.113 -6.083 0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.298 -3.564 -1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.826 -3.994 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.750 -3.752 -2.378 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.473 -8.723 -1.107 1.00 0.00 N ATOM 1369 CA LYS A 90 -0.673 -10.155 -1.254 1.00 0.00 C ATOM 1370 C LYS A 90 -1.569 -10.659 -0.121 1.00 0.00 C ATOM 1371 O LYS A 90 -1.511 -10.147 0.996 1.00 0.00 O ATOM 1372 CB LYS A 90 0.673 -10.878 -1.342 1.00 0.00 C ATOM 1373 CG LYS A 90 1.035 -11.187 -2.796 1.00 0.00 C ATOM 1374 CD LYS A 90 1.834 -12.488 -2.898 1.00 0.00 C ATOM 1375 CE LYS A 90 3.323 -12.202 -3.096 1.00 0.00 C ATOM 1376 NZ LYS A 90 3.911 -13.161 -4.058 1.00 0.00 N ATOM 0 H LYS A 90 -0.220 -8.422 -0.166 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.188 -10.374 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.451 -10.261 -0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.630 -11.804 -0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.126 -11.267 -3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.617 -10.365 -3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.691 -13.079 -1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.461 -13.084 -3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.459 -11.183 -3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.843 -12.271 -2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.948 -13.138 -3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.570 -14.120 -3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.629 -12.900 -5.024 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.377 -11.657 -0.448 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.283 -12.236 0.529 1.00 0.00 C ATOM 1392 C ALA A 91 -2.662 -13.511 1.103 1.00 0.00 C ATOM 1393 O ALA A 91 -2.037 -14.283 0.376 1.00 0.00 O ATOM 1394 CB ALA A 91 -4.642 -12.494 -0.126 1.00 0.00 C ATOM 0 H ALA A 91 -2.423 -12.079 -1.375 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.445 -11.547 1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.322 -12.928 0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.054 -11.553 -0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.518 -13.184 -0.961 1.00 0.00 H new ATOM 1400 N THR A 92 -2.855 -13.693 2.401 1.00 0.00 N ATOM 1401 CA THR A 92 -2.321 -14.861 3.080 1.00 0.00 C ATOM 1402 C THR A 92 -3.444 -15.847 3.409 1.00 0.00 C ATOM 1403 O THR A 92 -4.566 -15.438 3.706 1.00 0.00 O ATOM 1404 CB THR A 92 -1.553 -14.381 4.313 1.00 0.00 C ATOM 1405 OG1 THR A 92 -2.559 -13.814 5.149 1.00 0.00 O ATOM 1406 CG2 THR A 92 -0.621 -13.209 4.003 1.00 0.00 C ATOM 0 H THR A 92 -3.374 -13.051 3.000 1.00 0.00 H new ATOM 0 HA THR A 92 -1.628 -15.408 2.440 1.00 0.00 H new ATOM 0 HB THR A 92 -0.972 -15.207 4.723 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.144 -13.450 5.959 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.101 -12.908 4.912 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.108 -13.513 3.251 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.205 -12.370 3.624 1.00 0.00 H new ATOM 1414 N THR A 93 -3.104 -17.126 3.346 1.00 0.00 N ATOM 1415 CA THR A 93 -4.069 -18.172 3.634 1.00 0.00 C ATOM 1416 C THR A 93 -3.424 -19.278 4.471 1.00 0.00 C ATOM 1417 O THR A 93 -2.267 -19.162 4.874 1.00 0.00 O ATOM 1418 CB THR A 93 -4.637 -18.671 2.303 1.00 0.00 C ATOM 1419 OG1 THR A 93 -3.482 -18.990 1.531 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.322 -17.559 1.506 1.00 0.00 C ATOM 0 H THR A 93 -2.173 -17.461 3.099 1.00 0.00 H new ATOM 0 HA THR A 93 -4.895 -17.792 4.235 1.00 0.00 H new ATOM 0 HB THR A 93 -5.349 -19.475 2.490 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.502 -19.940 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.707 -17.966 0.571 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.146 -17.148 2.089 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.602 -16.770 1.289 1.00 0.00 H new ATOM 1428 N ASP A 94 -4.199 -20.326 4.708 1.00 0.00 N ATOM 1429 CA ASP A 94 -3.718 -21.452 5.491 1.00 0.00 C ATOM 1430 C ASP A 94 -2.653 -22.205 4.691 1.00 0.00 C ATOM 1431 O ASP A 94 -1.827 -22.914 5.263 1.00 0.00 O ATOM 1432 CB ASP A 94 -4.852 -22.429 5.806 1.00 0.00 C ATOM 1433 CG ASP A 94 -4.991 -22.804 7.282 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -4.032 -23.411 7.807 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -6.053 -22.475 7.853 1.00 0.00 O ATOM 0 H ASP A 94 -5.157 -20.419 4.371 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.308 -21.064 6.423 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.792 -21.993 5.468 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.697 -23.340 5.228 1.00 0.00 H new ATOM 1440 N GLY A 95 -2.707 -22.025 3.379 1.00 0.00 N ATOM 1441 CA GLY A 95 -1.757 -22.678 2.495 1.00 0.00 C ATOM 1442 C GLY A 95 -0.476 -21.852 2.358 1.00 0.00 C ATOM 1443 O GLY A 95 0.611 -22.407 2.208 1.00 0.00 O ATOM 0 H GLY A 95 -3.394 -21.436 2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.516 -23.668 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.208 -22.821 1.513 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.648 -20.540 2.416 1.00 0.00 N ATOM 1448 CA GLY A 96 0.481 -19.632 2.301 1.00 0.00 C ATOM 1449 C GLY A 96 0.042 -18.283 1.727 1.00 0.00 C ATOM 1450 O GLY A 96 -0.935 -17.696 2.189 1.00 0.00 O ATOM 0 H GLY A 96 -1.552 -20.084 2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.935 -19.484 3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.244 -20.074 1.660 1.00 0.00 H new ATOM 1454 N ASP A 97 0.787 -17.830 0.729 1.00 0.00 N ATOM 1455 CA ASP A 97 0.488 -16.561 0.088 1.00 0.00 C ATOM 1456 C ASP A 97 -0.500 -16.793 -1.057 1.00 0.00 C ATOM 1457 O ASP A 97 -0.983 -17.908 -1.248 1.00 0.00 O ATOM 1458 CB ASP A 97 1.751 -15.928 -0.498 1.00 0.00 C ATOM 1459 CG ASP A 97 3.063 -16.394 0.138 1.00 0.00 C ATOM 1460 OD1 ASP A 97 3.540 -17.474 -0.270 1.00 0.00 O ATOM 1461 OD2 ASP A 97 3.558 -15.658 1.019 1.00 0.00 O ATOM 0 H ASP A 97 1.597 -18.319 0.349 1.00 0.00 H new ATOM 0 HA ASP A 97 0.067 -15.894 0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.786 -16.144 -1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.679 -14.845 -0.394 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.770 -15.723 -1.789 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.691 -15.796 -2.910 1.00 0.00 C ATOM 1468 C GLY A 98 -1.154 -15.018 -4.113 1.00 0.00 C ATOM 1469 O GLY A 98 -0.018 -15.228 -4.535 1.00 0.00 O ATOM 0 H GLY A 98 -0.367 -14.800 -1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.849 -16.838 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.660 -15.394 -2.616 1.00 0.00 H new ATOM 1473 N THR A 99 -1.996 -14.137 -4.632 1.00 0.00 N ATOM 1474 CA THR A 99 -1.620 -13.327 -5.778 1.00 0.00 C ATOM 1475 C THR A 99 -1.274 -11.904 -5.335 1.00 0.00 C ATOM 1476 O THR A 99 -1.837 -11.397 -4.365 1.00 0.00 O ATOM 1477 CB THR A 99 -2.763 -13.385 -6.794 1.00 0.00 C ATOM 1478 OG1 THR A 99 -3.116 -14.765 -6.841 1.00 0.00 O ATOM 1479 CG2 THR A 99 -2.298 -13.071 -8.217 1.00 0.00 C ATOM 0 H THR A 99 -2.938 -13.966 -4.280 1.00 0.00 H new ATOM 0 HA THR A 99 -0.720 -13.713 -6.256 1.00 0.00 H new ATOM 0 HB THR A 99 -3.543 -12.681 -6.503 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.852 -14.893 -7.475 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.147 -13.126 -8.898 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.873 -12.068 -8.248 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.542 -13.795 -8.521 1.00 0.00 H new ATOM 1487 N SER A 100 -0.348 -11.300 -6.066 1.00 0.00 N ATOM 1488 CA SER A 100 0.080 -9.945 -5.760 1.00 0.00 C ATOM 1489 C SER A 100 -0.559 -8.960 -6.741 1.00 0.00 C ATOM 1490 O SER A 100 -0.311 -9.028 -7.944 1.00 0.00 O ATOM 1491 CB SER A 100 1.605 -9.827 -5.806 1.00 0.00 C ATOM 1492 OG SER A 100 2.247 -10.990 -5.291 1.00 0.00 O ATOM 0 H SER A 100 0.117 -11.724 -6.869 1.00 0.00 H new ATOM 0 HA SER A 100 -0.246 -9.703 -4.749 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.925 -9.662 -6.835 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.919 -8.956 -5.231 1.00 0.00 H new ATOM 0 HG SER A 100 3.170 -11.026 -5.618 1.00 0.00 H new ATOM 1498 N SER A 101 -1.368 -8.067 -6.191 1.00 0.00 N ATOM 1499 CA SER A 101 -2.044 -7.070 -7.003 1.00 0.00 C ATOM 1500 C SER A 101 -1.028 -6.326 -7.871 1.00 0.00 C ATOM 1501 O SER A 101 0.151 -6.676 -7.892 1.00 0.00 O ATOM 1502 CB SER A 101 -2.819 -6.082 -6.129 1.00 0.00 C ATOM 1503 OG SER A 101 -1.956 -5.324 -5.285 1.00 0.00 O ATOM 0 H SER A 101 -1.571 -8.013 -5.193 1.00 0.00 H new ATOM 0 HA SER A 101 -2.758 -7.581 -7.648 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.390 -5.405 -6.765 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.538 -6.626 -5.517 1.00 0.00 H new ATOM 0 HG SER A 101 -1.806 -4.440 -5.680 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.522 -5.313 -8.568 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.672 -4.516 -9.436 1.00 0.00 C ATOM 1511 C GLU A 102 0.264 -3.638 -8.603 1.00 0.00 C ATOM 1512 O GLU A 102 -0.193 -2.833 -7.793 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.509 -3.669 -10.396 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.740 -4.404 -11.718 1.00 0.00 C ATOM 1515 CD GLU A 102 -3.213 -4.785 -11.883 1.00 0.00 C ATOM 1516 OE1 GLU A 102 -3.688 -5.587 -11.051 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -3.829 -4.265 -12.838 1.00 0.00 O ATOM 0 H GLU A 102 -2.501 -5.026 -8.549 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.064 -5.192 -10.037 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.468 -3.432 -9.935 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.004 -2.722 -10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.429 -3.771 -12.549 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.122 -5.302 -11.752 1.00 0.00 H new ATOM 1524 N GLN A 103 1.556 -3.823 -8.830 1.00 0.00 N ATOM 1525 CA GLN A 103 2.559 -3.057 -8.110 1.00 0.00 C ATOM 1526 C GLN A 103 2.198 -1.570 -8.116 1.00 0.00 C ATOM 1527 O GLN A 103 1.805 -1.027 -9.148 1.00 0.00 O ATOM 1528 CB GLN A 103 3.952 -3.285 -8.702 1.00 0.00 C ATOM 1529 CG GLN A 103 4.248 -2.274 -9.812 1.00 0.00 C ATOM 1530 CD GLN A 103 5.592 -2.572 -10.480 1.00 0.00 C ATOM 1531 OE1 GLN A 103 6.013 -3.710 -10.607 1.00 0.00 O ATOM 1532 NE2 GLN A 103 6.239 -1.488 -10.899 1.00 0.00 N ATOM 0 H GLN A 103 1.931 -4.492 -9.502 1.00 0.00 H new ATOM 0 HA GLN A 103 2.578 -3.402 -7.076 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.703 -3.199 -7.917 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.021 -4.298 -9.100 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.453 -2.303 -10.557 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.259 -1.266 -9.397 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.829 -0.564 -10.761 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.145 -1.581 -11.358 1.00 0.00 H new ATOM 1541 N ILE A 104 2.343 -0.954 -6.952 1.00 0.00 N ATOM 1542 CA ILE A 104 2.037 0.459 -6.810 1.00 0.00 C ATOM 1543 C ILE A 104 3.276 1.283 -7.164 1.00 0.00 C ATOM 1544 O ILE A 104 4.403 0.814 -7.010 1.00 0.00 O ATOM 1545 CB ILE A 104 1.484 0.749 -5.413 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.625 -0.413 -4.911 1.00 0.00 C ATOM 1547 CG2 ILE A 104 0.722 2.076 -5.390 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.475 0.084 -3.971 1.00 0.00 C ATOM 0 H ILE A 104 2.668 -1.408 -6.098 1.00 0.00 H new ATOM 0 HA ILE A 104 1.251 0.751 -7.506 1.00 0.00 H new ATOM 0 HB ILE A 104 2.325 0.848 -4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.177 -0.931 -5.759 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.253 -1.136 -4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.339 2.258 -4.386 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.393 2.886 -5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.110 2.030 -6.093 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.071 -0.762 -3.629 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -0.023 0.580 -3.112 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.116 0.788 -4.501 1.00 0.00 H new ATOM 1560 N ARG A 105 3.026 2.497 -7.632 1.00 0.00 N ATOM 1561 CA ARG A 105 4.108 3.391 -8.010 1.00 0.00 C ATOM 1562 C ARG A 105 4.025 4.692 -7.209 1.00 0.00 C ATOM 1563 O ARG A 105 3.212 5.563 -7.515 1.00 0.00 O ATOM 1564 CB ARG A 105 4.058 3.716 -9.504 1.00 0.00 C ATOM 1565 CG ARG A 105 5.331 3.246 -10.210 1.00 0.00 C ATOM 1566 CD ARG A 105 5.061 2.946 -11.686 1.00 0.00 C ATOM 1567 NE ARG A 105 6.331 2.961 -12.446 1.00 0.00 N ATOM 1568 CZ ARG A 105 6.485 2.419 -13.662 1.00 0.00 C ATOM 1569 NH1 ARG A 105 5.449 1.818 -14.264 1.00 0.00 N ATOM 1570 NH2 ARG A 105 7.674 2.479 -14.277 1.00 0.00 N ATOM 0 H ARG A 105 2.090 2.883 -7.758 1.00 0.00 H new ATOM 0 HA ARG A 105 5.048 2.885 -7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.189 3.236 -9.955 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.937 4.790 -9.642 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.102 4.012 -10.126 1.00 0.00 H new ATOM 0 HG3 ARG A 105 5.715 2.352 -9.718 1.00 0.00 H new ATOM 0 HD2 ARG A 105 4.579 1.973 -11.786 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.373 3.686 -12.096 1.00 0.00 H new ATOM 0 HE ARG A 105 7.139 3.412 -12.018 1.00 0.00 H new ATOM 0 HH11 ARG A 105 4.543 1.773 -13.797 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.566 1.406 -15.189 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.462 2.937 -13.820 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.791 2.066 -15.202 1.00 0.00 H new ATOM 1584 N ILE A 106 4.877 4.783 -6.198 1.00 0.00 N ATOM 1585 CA ILE A 106 4.910 5.963 -5.352 1.00 0.00 C ATOM 1586 C ILE A 106 6.243 6.689 -5.548 1.00 0.00 C ATOM 1587 O ILE A 106 7.258 6.296 -4.975 1.00 0.00 O ATOM 1588 CB ILE A 106 4.624 5.586 -3.897 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.347 4.750 -3.788 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.570 6.831 -3.008 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.276 4.030 -2.440 1.00 0.00 C ATOM 0 H ILE A 106 5.549 4.059 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 106 4.122 6.660 -5.638 1.00 0.00 H new ATOM 0 HB ILE A 106 5.446 4.968 -3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.475 5.394 -3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.316 4.020 -4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.365 6.535 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.527 7.351 -3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.779 7.494 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.359 3.443 -2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.136 3.369 -2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.282 4.764 -1.635 1.00 0.00 H new ATOM 1603 N PRO A 107 6.195 7.763 -6.380 1.00 0.00 N ATOM 1604 CA PRO A 107 7.386 8.547 -6.659 1.00 0.00 C ATOM 1605 C PRO A 107 7.745 9.441 -5.471 1.00 0.00 C ATOM 1606 O PRO A 107 6.983 9.538 -4.510 1.00 0.00 O ATOM 1607 CB PRO A 107 7.053 9.335 -7.916 1.00 0.00 C ATOM 1608 CG PRO A 107 5.537 9.318 -8.029 1.00 0.00 C ATOM 1609 CD PRO A 107 5.011 8.257 -7.076 1.00 0.00 C ATOM 0 HA PRO A 107 8.270 7.928 -6.815 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.428 10.356 -7.848 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.515 8.884 -8.794 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.124 10.295 -7.778 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.233 9.097 -9.052 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.287 8.676 -6.377 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.506 7.456 -7.615 1.00 0.00 H new ATOM 1617 N ARG A 108 8.905 10.072 -5.575 1.00 0.00 N ATOM 1618 CA ARG A 108 9.374 10.955 -4.520 1.00 0.00 C ATOM 1619 C ARG A 108 8.203 11.736 -3.922 1.00 0.00 C ATOM 1620 O ARG A 108 7.197 11.964 -4.592 1.00 0.00 O ATOM 1621 CB ARG A 108 10.418 11.940 -5.050 1.00 0.00 C ATOM 1622 CG ARG A 108 11.833 11.490 -4.682 1.00 0.00 C ATOM 1623 CD ARG A 108 12.470 10.696 -5.824 1.00 0.00 C ATOM 1624 NE ARG A 108 12.849 11.608 -6.925 1.00 0.00 N ATOM 1625 CZ ARG A 108 13.252 11.198 -8.136 1.00 0.00 C ATOM 1626 NH1 ARG A 108 13.331 9.888 -8.407 1.00 0.00 N ATOM 1627 NH2 ARG A 108 13.576 12.098 -9.074 1.00 0.00 N ATOM 0 H ARG A 108 9.534 9.990 -6.373 1.00 0.00 H new ATOM 0 HA ARG A 108 9.833 10.336 -3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.329 12.022 -6.133 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.229 12.932 -4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.447 12.361 -4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.801 10.877 -3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.350 10.165 -5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.771 9.943 -6.189 1.00 0.00 H new ATOM 0 HE ARG A 108 12.801 12.612 -6.752 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.085 9.204 -7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 108 13.638 9.575 -9.328 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.516 13.095 -8.867 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.883 11.786 -9.996 1.00 0.00 H new