USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 590 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 74 THR OG1 : rot 180:sc= 0.0477 USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 62 MET CE :methyl -121:sc= -0.0354 (180deg=-0.153) USER MOD Set 2.2: A 105 MET CE :methyl -112:sc= -2.32 (180deg=-5.67!) USER MOD Set 3.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 95 ASN : amide:sc= -1.93 K(o=-1.9,f=-13!) USER MOD Single : A 22 GLN : amide:sc= -1.71 K(o=-1.7,f=-3.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc=-0.00337 X(o=-0.0034,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.77 USER MOD Single : A 39 THR OG1 : rot 180:sc= -3.19 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 53 THR OG1 : rot -129:sc= -0.939 USER MOD Single : A 55 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.8!) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.183) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -4.65! C(o=-4.7!,f=-6!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.387 X(o=-0.39,f=-0.16) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc=0.000282 USER MOD Single : A 85 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.7) USER MOD Single : A 87 TYR OH : rot 180:sc= 0.0121 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 162:sc= 0.982 USER MOD Single : A 96 MET CE :methyl -120:sc= -0.0254 (180deg=-0.378) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 108:sc= 0.164 USER MOD Single : A 104 THR OG1 : rot 166:sc= -0.256 USER MOD Single : A 106 THR OG1 : rot 61:sc= 1.07 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N GLY A 19 -14.860 -12.079 -3.540 1.00 0.00 N ATOM 224 CA GLY A 19 -14.818 -10.661 -3.850 1.00 0.00 C ATOM 225 C GLY A 19 -13.385 -10.128 -3.790 1.00 0.00 C ATOM 226 O GLY A 19 -12.433 -10.905 -3.730 1.00 0.00 O ATOM 0 HA2 GLY A 19 -15.232 -10.490 -4.844 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.443 -10.113 -3.146 1.00 0.00 H new ATOM 230 N PRO A 20 -13.274 -8.773 -3.807 1.00 0.00 N ATOM 231 CA PRO A 20 -11.974 -8.128 -3.755 1.00 0.00 C ATOM 232 C PRO A 20 -11.387 -8.192 -2.344 1.00 0.00 C ATOM 233 O PRO A 20 -12.052 -8.634 -1.409 1.00 0.00 O ATOM 234 CB PRO A 20 -12.221 -6.706 -4.232 1.00 0.00 C ATOM 235 CG PRO A 20 -13.716 -6.472 -4.089 1.00 0.00 C ATOM 236 CD PRO A 20 -14.381 -7.823 -3.878 1.00 0.00 C ATOM 0 HA PRO A 20 -11.234 -8.622 -4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.655 -5.990 -3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.903 -6.581 -5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.920 -5.810 -3.247 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.113 -5.986 -4.980 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.972 -7.835 -2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.058 -8.064 -4.698 1.00 0.00 H new ATOM 241 N PRO A 21 -10.112 -7.731 -2.230 1.00 0.00 N ATOM 242 CA PRO A 21 -9.427 -7.732 -0.949 1.00 0.00 C ATOM 243 C PRO A 21 -9.949 -6.611 -0.048 1.00 0.00 C ATOM 244 O PRO A 21 -10.335 -5.549 -0.532 1.00 0.00 O ATOM 245 CB PRO A 21 -7.954 -7.581 -1.290 1.00 0.00 C ATOM 246 CG PRO A 21 -7.907 -7.038 -2.709 1.00 0.00 C ATOM 247 CD PRO A 21 -9.292 -7.198 -3.315 1.00 0.00 C ATOM 0 HA PRO A 21 -9.599 -8.646 -0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.460 -6.901 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.437 -8.538 -1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.610 -5.989 -2.707 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.167 -7.578 -3.300 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.680 -6.244 -3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.275 -7.876 -4.168 1.00 0.00 H new ATOM 252 N GLN A 22 -9.943 -6.887 1.249 1.00 0.00 N ATOM 253 CA GLN A 22 -10.412 -5.915 2.222 1.00 0.00 C ATOM 254 C GLN A 22 -9.955 -4.508 1.830 1.00 0.00 C ATOM 255 O GLN A 22 -10.777 -3.606 1.673 1.00 0.00 O ATOM 256 CB GLN A 22 -9.931 -6.273 3.630 1.00 0.00 C ATOM 257 CG GLN A 22 -10.959 -7.147 4.353 1.00 0.00 C ATOM 258 CD GLN A 22 -10.920 -6.902 5.863 1.00 0.00 C ATOM 259 OE1 GLN A 22 -11.898 -6.515 6.481 1.00 0.00 O ATOM 260 NE2 GLN A 22 -9.737 -7.149 6.420 1.00 0.00 N ATOM 0 H GLN A 22 -9.621 -7.769 1.648 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.502 -5.934 2.229 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.978 -6.799 3.570 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.756 -5.362 4.202 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.957 -6.932 3.972 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.758 -8.198 4.146 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.959 -7.471 5.844 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.608 -7.016 7.423 1.00 0.00 H new ATOM 267 N ILE A 23 -8.647 -4.365 1.682 1.00 0.00 N ATOM 268 CA ILE A 23 -8.072 -3.083 1.311 1.00 0.00 C ATOM 269 C ILE A 23 -6.736 -3.314 0.601 1.00 0.00 C ATOM 270 O ILE A 23 -6.157 -4.395 0.697 1.00 0.00 O ATOM 271 CB ILE A 23 -7.968 -2.168 2.533 1.00 0.00 C ATOM 272 CG1 ILE A 23 -8.100 -0.697 2.129 1.00 0.00 C ATOM 273 CG2 ILE A 23 -6.678 -2.436 3.310 1.00 0.00 C ATOM 274 CD1 ILE A 23 -6.729 -0.019 2.076 1.00 0.00 C ATOM 0 H ILE A 23 -7.968 -5.115 1.812 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.722 -2.564 0.607 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.799 -2.394 3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.583 -0.626 1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.740 -0.176 2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.629 -1.773 4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.665 -3.472 3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.819 -2.254 2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.850 1.025 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.259 -0.071 3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.100 -0.527 1.345 1.00 0.00 H new ATOM 285 N VAL A 24 -6.285 -2.282 -0.096 1.00 0.00 N ATOM 286 CA VAL A 24 -5.029 -2.359 -0.821 1.00 0.00 C ATOM 287 C VAL A 24 -4.297 -1.021 -0.709 1.00 0.00 C ATOM 288 O VAL A 24 -4.756 -0.011 -1.241 1.00 0.00 O ATOM 289 CB VAL A 24 -5.286 -2.780 -2.270 1.00 0.00 C ATOM 290 CG1 VAL A 24 -3.972 -2.927 -3.040 1.00 0.00 C ATOM 291 CG2 VAL A 24 -6.103 -4.072 -2.328 1.00 0.00 C ATOM 0 H VAL A 24 -6.768 -1.387 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.383 -3.121 -0.385 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.868 -1.993 -2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.183 -3.227 -4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.443 -1.974 -3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.352 -3.685 -2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.272 -4.349 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.558 -4.870 -1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.062 -3.919 -1.833 1.00 0.00 H new ATOM 301 N LYS A 25 -3.170 -1.055 -0.013 1.00 0.00 N ATOM 302 CA LYS A 25 -2.369 0.143 0.177 1.00 0.00 C ATOM 303 C LYS A 25 -0.937 -0.126 -0.291 1.00 0.00 C ATOM 304 O LYS A 25 -0.582 -1.265 -0.589 1.00 0.00 O ATOM 305 CB LYS A 25 -2.463 0.626 1.625 1.00 0.00 C ATOM 306 CG LYS A 25 -2.021 -0.468 2.598 1.00 0.00 C ATOM 307 CD LYS A 25 -1.328 0.134 3.822 1.00 0.00 C ATOM 308 CE LYS A 25 -2.255 0.119 5.040 1.00 0.00 C ATOM 309 NZ LYS A 25 -2.636 1.498 5.418 1.00 0.00 N ATOM 0 H LYS A 25 -2.792 -1.894 0.427 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.755 0.960 -0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.839 1.510 1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.488 0.923 1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.887 -1.049 2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.343 -1.156 2.093 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.421 -0.428 4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.023 1.158 3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.149 -0.463 4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.757 -0.370 5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.265 1.470 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.781 2.043 5.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.130 1.952 4.623 1.00 0.00 H new ATOM 319 N ILE A 26 -0.154 0.941 -0.340 1.00 0.00 N ATOM 320 CA ILE A 26 1.230 0.834 -0.765 1.00 0.00 C ATOM 321 C ILE A 26 2.148 1.186 0.407 1.00 0.00 C ATOM 322 O ILE A 26 2.234 2.346 0.806 1.00 0.00 O ATOM 323 CB ILE A 26 1.475 1.684 -2.014 1.00 0.00 C ATOM 324 CG1 ILE A 26 0.641 1.180 -3.193 1.00 0.00 C ATOM 325 CG2 ILE A 26 2.965 1.747 -2.352 1.00 0.00 C ATOM 326 CD1 ILE A 26 -0.162 2.319 -3.825 1.00 0.00 C ATOM 0 H ILE A 26 -0.452 1.884 -0.092 1.00 0.00 H new ATOM 0 HA ILE A 26 1.461 -0.191 -1.055 1.00 0.00 H new ATOM 0 HB ILE A 26 1.150 2.703 -1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.296 0.733 -3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.037 0.397 -2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.110 2.357 -3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.509 2.189 -1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.339 0.740 -2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.746 1.933 -4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.833 2.747 -3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.520 3.089 -4.184 1.00 0.00 H new ATOM 337 N GLU A 27 2.810 0.162 0.926 1.00 0.00 N ATOM 338 CA GLU A 27 3.719 0.349 2.045 1.00 0.00 C ATOM 339 C GLU A 27 4.620 1.561 1.801 1.00 0.00 C ATOM 340 O GLU A 27 4.831 2.373 2.700 1.00 0.00 O ATOM 341 CB GLU A 27 4.550 -0.911 2.292 1.00 0.00 C ATOM 342 CG GLU A 27 4.374 -1.412 3.728 1.00 0.00 C ATOM 343 CD GLU A 27 5.675 -2.014 4.262 1.00 0.00 C ATOM 344 OE1 GLU A 27 5.884 -3.222 4.014 1.00 0.00 O ATOM 345 OE2 GLU A 27 6.432 -1.254 4.904 1.00 0.00 O ATOM 0 H GLU A 27 2.735 -0.799 0.593 1.00 0.00 H new ATOM 0 HA GLU A 27 3.127 0.536 2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.251 -1.691 1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.603 -0.700 2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.061 -0.588 4.369 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.582 -2.160 3.761 1.00 0.00 H new ATOM 350 N ASP A 28 5.128 1.643 0.580 1.00 0.00 N ATOM 351 CA ASP A 28 6.002 2.743 0.206 1.00 0.00 C ATOM 352 C ASP A 28 6.554 2.494 -1.199 1.00 0.00 C ATOM 353 O ASP A 28 6.263 1.468 -1.812 1.00 0.00 O ATOM 354 CB ASP A 28 7.187 2.856 1.167 1.00 0.00 C ATOM 355 CG ASP A 28 7.528 4.280 1.607 1.00 0.00 C ATOM 356 OD1 ASP A 28 7.393 5.186 0.757 1.00 0.00 O ATOM 357 OD2 ASP A 28 7.917 4.432 2.786 1.00 0.00 O ATOM 0 H ASP A 28 4.952 0.966 -0.163 1.00 0.00 H new ATOM 0 HA ASP A 28 5.420 3.664 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.975 2.259 2.054 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.065 2.419 0.691 1.00 0.00 H new ATOM 361 N VAL A 29 7.342 3.450 -1.668 1.00 0.00 N ATOM 362 CA VAL A 29 7.939 3.348 -2.989 1.00 0.00 C ATOM 363 C VAL A 29 9.307 4.033 -2.982 1.00 0.00 C ATOM 364 O VAL A 29 9.414 5.210 -2.643 1.00 0.00 O ATOM 365 CB VAL A 29 6.987 3.925 -4.040 1.00 0.00 C ATOM 366 CG1 VAL A 29 6.453 5.291 -3.603 1.00 0.00 C ATOM 367 CG2 VAL A 29 7.668 4.015 -5.407 1.00 0.00 C ATOM 0 H VAL A 29 7.581 4.300 -1.157 1.00 0.00 H new ATOM 0 HA VAL A 29 8.101 2.303 -3.254 1.00 0.00 H new ATOM 0 HB VAL A 29 6.139 3.246 -4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.779 5.679 -4.367 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.913 5.187 -2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.286 5.981 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.970 4.428 -6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.543 4.662 -5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.978 3.020 -5.726 1.00 0.00 H new ATOM 377 N TRP A 30 10.319 3.265 -3.359 1.00 0.00 N ATOM 378 CA TRP A 30 11.676 3.784 -3.400 1.00 0.00 C ATOM 379 C TRP A 30 12.260 3.473 -4.780 1.00 0.00 C ATOM 380 O TRP A 30 12.019 2.402 -5.332 1.00 0.00 O ATOM 381 CB TRP A 30 12.515 3.214 -2.254 1.00 0.00 C ATOM 382 CG TRP A 30 12.583 1.687 -2.233 1.00 0.00 C ATOM 383 CD1 TRP A 30 13.611 0.901 -2.584 1.00 0.00 C ATOM 384 CD2 TRP A 30 11.534 0.785 -1.821 1.00 0.00 C ATOM 385 NE1 TRP A 30 13.302 -0.435 -2.430 1.00 0.00 N ATOM 386 CE2 TRP A 30 11.998 -0.508 -1.952 1.00 0.00 C ATOM 387 CE3 TRP A 30 10.235 1.052 -1.355 1.00 0.00 C ATOM 388 CZ2 TRP A 30 11.230 -1.635 -1.636 1.00 0.00 C ATOM 389 CZ3 TRP A 30 9.479 -0.085 -1.044 1.00 0.00 C ATOM 390 CH2 TRP A 30 9.932 -1.392 -1.170 1.00 0.00 C ATOM 0 H TRP A 30 10.227 2.288 -3.639 1.00 0.00 H new ATOM 0 HA TRP A 30 11.680 4.864 -3.256 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.527 3.612 -2.326 1.00 0.00 H new ATOM 0 HB3 TRP A 30 12.102 3.562 -1.307 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.562 1.268 -2.942 1.00 0.00 H new ATOM 0 HE1 TRP A 30 13.917 -1.224 -2.630 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.850 2.055 -1.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.617 -2.637 -1.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.473 0.065 -0.681 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.286 -2.217 -0.910 1.00 0.00 H new ATOM 400 N GLY A 31 13.016 4.430 -5.296 1.00 0.00 N ATOM 401 CA GLY A 31 13.635 4.272 -6.600 1.00 0.00 C ATOM 402 C GLY A 31 12.701 3.543 -7.568 1.00 0.00 C ATOM 403 O GLY A 31 11.594 4.008 -7.835 1.00 0.00 O ATOM 0 H GLY A 31 13.214 5.318 -4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.892 5.251 -7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.566 3.715 -6.499 1.00 0.00 H new ATOM 407 N GLU A 32 13.181 2.412 -8.066 1.00 0.00 N ATOM 408 CA GLU A 32 12.401 1.615 -8.996 1.00 0.00 C ATOM 409 C GLU A 32 11.788 0.410 -8.280 1.00 0.00 C ATOM 410 O GLU A 32 11.558 -0.630 -8.894 1.00 0.00 O ATOM 411 CB GLU A 32 13.255 1.169 -10.185 1.00 0.00 C ATOM 412 CG GLU A 32 13.933 2.367 -10.853 1.00 0.00 C ATOM 413 CD GLU A 32 14.583 1.961 -12.177 1.00 0.00 C ATOM 414 OE1 GLU A 32 15.388 1.005 -12.144 1.00 0.00 O ATOM 415 OE2 GLU A 32 14.262 2.616 -13.192 1.00 0.00 O ATOM 0 H GLU A 32 14.100 2.030 -7.843 1.00 0.00 H new ATOM 0 HA GLU A 32 11.591 2.233 -9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.011 0.460 -9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.630 0.649 -10.911 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.199 3.153 -11.030 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.688 2.781 -10.185 1.00 0.00 H new ATOM 420 N ASN A 33 11.540 0.592 -6.991 1.00 0.00 N ATOM 421 CA ASN A 33 10.959 -0.466 -6.183 1.00 0.00 C ATOM 422 C ASN A 33 9.743 0.080 -5.434 1.00 0.00 C ATOM 423 O ASN A 33 9.830 1.115 -4.774 1.00 0.00 O ATOM 424 CB ASN A 33 11.960 -0.984 -5.149 1.00 0.00 C ATOM 425 CG ASN A 33 13.276 -1.392 -5.815 1.00 0.00 C ATOM 426 OD1 ASN A 33 13.460 -2.518 -6.246 1.00 0.00 O ATOM 427 ND2 ASN A 33 14.177 -0.416 -5.874 1.00 0.00 N ATOM 0 H ASN A 33 11.731 1.457 -6.486 1.00 0.00 H new ATOM 0 HA ASN A 33 10.676 -1.281 -6.849 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.150 -0.212 -4.403 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.535 -1.838 -4.622 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.088 -0.588 -6.300 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.957 0.505 -5.493 1.00 0.00 H new ATOM 433 N VAL A 34 8.637 -0.640 -5.558 1.00 0.00 N ATOM 434 CA VAL A 34 7.406 -0.240 -4.899 1.00 0.00 C ATOM 435 C VAL A 34 7.019 -1.298 -3.864 1.00 0.00 C ATOM 436 O VAL A 34 7.439 -2.450 -3.962 1.00 0.00 O ATOM 437 CB VAL A 34 6.311 0.005 -5.940 1.00 0.00 C ATOM 438 CG1 VAL A 34 4.922 -0.222 -5.340 1.00 0.00 C ATOM 439 CG2 VAL A 34 6.428 1.408 -6.539 1.00 0.00 C ATOM 0 H VAL A 34 8.568 -1.498 -6.105 1.00 0.00 H new ATOM 0 HA VAL A 34 7.547 0.700 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 34 6.448 -0.716 -6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.163 -0.041 -6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.842 -1.250 -4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.770 0.463 -4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.638 1.556 -7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.330 2.151 -5.747 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.399 1.518 -7.021 1.00 0.00 H new ATOM 449 N ALA A 35 6.224 -0.869 -2.895 1.00 0.00 N ATOM 450 CA ALA A 35 5.776 -1.765 -1.842 1.00 0.00 C ATOM 451 C ALA A 35 4.247 -1.773 -1.801 1.00 0.00 C ATOM 452 O ALA A 35 3.623 -0.736 -1.586 1.00 0.00 O ATOM 453 CB ALA A 35 6.392 -1.335 -0.509 1.00 0.00 C ATOM 0 H ALA A 35 5.878 0.087 -2.817 1.00 0.00 H new ATOM 0 HA ALA A 35 6.106 -2.785 -2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.056 -2.007 0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.479 -1.374 -0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.081 -0.317 -0.276 1.00 0.00 H new ATOM 459 N LEU A 36 3.687 -2.956 -2.012 1.00 0.00 N ATOM 460 CA LEU A 36 2.244 -3.114 -2.003 1.00 0.00 C ATOM 461 C LEU A 36 1.817 -3.788 -0.698 1.00 0.00 C ATOM 462 O LEU A 36 2.570 -4.575 -0.126 1.00 0.00 O ATOM 463 CB LEU A 36 1.776 -3.853 -3.259 1.00 0.00 C ATOM 464 CG LEU A 36 1.667 -3.010 -4.531 1.00 0.00 C ATOM 465 CD1 LEU A 36 1.413 -3.894 -5.753 1.00 0.00 C ATOM 466 CD2 LEU A 36 0.602 -1.923 -4.378 1.00 0.00 C ATOM 0 H LEU A 36 4.208 -3.814 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 36 1.755 -2.140 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.465 -4.676 -3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.801 -4.294 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 36 2.620 -2.506 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.340 -3.271 -6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.236 -4.599 -5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.482 -4.444 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.545 -1.338 -5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.365 -2.386 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.866 -1.269 -3.547 1.00 0.00 H new ATOM 477 N THR A 37 0.609 -3.456 -0.263 1.00 0.00 N ATOM 478 CA THR A 37 0.075 -4.020 0.963 1.00 0.00 C ATOM 479 C THR A 37 -1.450 -4.126 0.881 1.00 0.00 C ATOM 480 O THR A 37 -2.147 -3.113 0.904 1.00 0.00 O ATOM 481 CB THR A 37 0.562 -3.162 2.131 1.00 0.00 C ATOM 482 OG1 THR A 37 0.675 -1.853 1.577 1.00 0.00 O ATOM 483 CG2 THR A 37 1.990 -3.509 2.558 1.00 0.00 C ATOM 0 H THR A 37 -0.014 -2.803 -0.739 1.00 0.00 H new ATOM 0 HA THR A 37 0.433 -5.038 1.118 1.00 0.00 H new ATOM 0 HB THR A 37 -0.111 -3.288 2.979 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.984 -1.231 2.268 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.286 -2.871 3.390 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.033 -4.553 2.868 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.669 -3.351 1.720 1.00 0.00 H new ATOM 491 N TRP A 38 -1.921 -5.360 0.787 1.00 0.00 N ATOM 492 CA TRP A 38 -3.351 -5.611 0.702 1.00 0.00 C ATOM 493 C TRP A 38 -3.739 -6.537 1.855 1.00 0.00 C ATOM 494 O TRP A 38 -2.920 -7.328 2.324 1.00 0.00 O ATOM 495 CB TRP A 38 -3.728 -6.174 -0.670 1.00 0.00 C ATOM 496 CG TRP A 38 -3.070 -7.518 -0.992 1.00 0.00 C ATOM 497 CD1 TRP A 38 -3.537 -8.748 -0.738 1.00 0.00 C ATOM 498 CD2 TRP A 38 -1.798 -7.717 -1.644 1.00 0.00 C ATOM 499 NE1 TRP A 38 -2.664 -9.721 -1.177 1.00 0.00 N ATOM 500 CE2 TRP A 38 -1.572 -9.075 -1.745 1.00 0.00 C ATOM 501 CE3 TRP A 38 -0.868 -6.782 -2.133 1.00 0.00 C ATOM 502 CZ2 TRP A 38 -0.422 -9.620 -2.330 1.00 0.00 C ATOM 503 CZ3 TRP A 38 0.275 -7.342 -2.713 1.00 0.00 C ATOM 504 CH2 TRP A 38 0.518 -8.707 -2.823 1.00 0.00 C ATOM 0 H TRP A 38 -1.339 -6.197 0.768 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.912 -4.681 0.800 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.811 -6.290 -0.719 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.450 -5.451 -1.437 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.479 -8.952 -0.251 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.795 -10.730 -1.099 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.024 -5.715 -2.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.269 -10.687 -2.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.022 -6.666 -3.103 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.427 -9.061 -3.286 1.00 0.00 H new ATOM 514 N THR A 39 -4.987 -6.409 2.282 1.00 0.00 N ATOM 515 CA THR A 39 -5.493 -7.226 3.372 1.00 0.00 C ATOM 516 C THR A 39 -6.224 -8.453 2.825 1.00 0.00 C ATOM 517 O THR A 39 -6.648 -8.464 1.670 1.00 0.00 O ATOM 518 CB THR A 39 -6.372 -6.339 4.257 1.00 0.00 C ATOM 519 OG1 THR A 39 -7.170 -5.607 3.331 1.00 0.00 O ATOM 520 CG2 THR A 39 -5.569 -5.263 4.990 1.00 0.00 C ATOM 0 H THR A 39 -5.663 -5.752 1.893 1.00 0.00 H new ATOM 0 HA THR A 39 -4.680 -7.618 3.983 1.00 0.00 H new ATOM 0 HB THR A 39 -6.896 -6.959 4.985 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.771 -5.007 3.820 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.241 -4.662 5.603 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.822 -5.737 5.627 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.071 -4.622 4.263 1.00 0.00 H new ATOM 528 N PRO A 40 -6.351 -9.485 3.702 1.00 0.00 N ATOM 529 CA PRO A 40 -7.023 -10.715 3.318 1.00 0.00 C ATOM 530 C PRO A 40 -8.540 -10.519 3.274 1.00 0.00 C ATOM 531 O PRO A 40 -9.063 -9.565 3.846 1.00 0.00 O ATOM 532 CB PRO A 40 -6.586 -11.740 4.352 1.00 0.00 C ATOM 533 CG PRO A 40 -6.061 -10.942 5.535 1.00 0.00 C ATOM 534 CD PRO A 40 -5.861 -9.507 5.077 1.00 0.00 C ATOM 0 HA PRO A 40 -6.758 -11.044 2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.421 -12.375 4.649 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.814 -12.396 3.950 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.765 -10.983 6.366 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.121 -11.363 5.893 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.415 -8.810 5.706 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.811 -9.218 5.128 1.00 0.00 H new ATOM 539 N PRO A 41 -9.221 -11.464 2.571 1.00 0.00 N ATOM 540 CA PRO A 41 -10.666 -11.405 2.445 1.00 0.00 C ATOM 541 C PRO A 41 -11.349 -11.833 3.746 1.00 0.00 C ATOM 542 O PRO A 41 -11.208 -12.975 4.179 1.00 0.00 O ATOM 543 CB PRO A 41 -10.996 -12.318 1.274 1.00 0.00 C ATOM 544 CG PRO A 41 -9.780 -13.210 1.086 1.00 0.00 C ATOM 545 CD PRO A 41 -8.633 -12.608 1.881 1.00 0.00 C ATOM 0 HA PRO A 41 -11.031 -10.394 2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.887 -12.911 1.480 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.199 -11.740 0.373 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.992 -14.222 1.429 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.517 -13.280 0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.221 -13.328 2.588 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.817 -12.300 1.227 1.00 0.00 H new ATOM 550 N LYS A 42 -12.074 -10.891 4.333 1.00 0.00 N ATOM 551 CA LYS A 42 -12.778 -11.156 5.576 1.00 0.00 C ATOM 552 C LYS A 42 -14.110 -11.842 5.266 1.00 0.00 C ATOM 553 O LYS A 42 -14.814 -12.278 6.176 1.00 0.00 O ATOM 554 CB LYS A 42 -12.924 -9.871 6.394 1.00 0.00 C ATOM 555 CG LYS A 42 -11.845 -9.784 7.475 1.00 0.00 C ATOM 556 CD LYS A 42 -12.433 -9.287 8.797 1.00 0.00 C ATOM 557 CE LYS A 42 -11.861 -7.918 9.172 1.00 0.00 C ATOM 558 NZ LYS A 42 -11.637 -7.831 10.632 1.00 0.00 N ATOM 0 H LYS A 42 -12.189 -9.944 3.971 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.204 -11.840 6.201 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.854 -9.006 5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.911 -9.840 6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.391 -10.764 7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.052 -9.111 7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.518 -9.222 8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.216 -10.005 9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.922 -7.753 8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.547 -7.132 8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.249 -6.896 10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.540 -7.967 11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.965 -8.569 10.925 1.00 0.00 H new ATOM 630 N ILE A 49 -9.268 -19.483 -0.486 1.00 0.00 N ATOM 631 CA ILE A 49 -8.535 -18.410 -1.137 1.00 0.00 C ATOM 632 C ILE A 49 -7.167 -18.930 -1.583 1.00 0.00 C ATOM 633 O ILE A 49 -6.223 -18.958 -0.795 1.00 0.00 O ATOM 634 CB ILE A 49 -8.459 -17.184 -0.225 1.00 0.00 C ATOM 635 CG1 ILE A 49 -9.837 -16.543 -0.053 1.00 0.00 C ATOM 636 CG2 ILE A 49 -7.421 -16.183 -0.737 1.00 0.00 C ATOM 637 CD1 ILE A 49 -10.390 -16.799 1.352 1.00 0.00 C ATOM 0 HA ILE A 49 -9.059 -18.080 -2.034 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.131 -17.512 0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.767 -15.470 -0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -10.525 -16.945 -0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.387 -15.321 -0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.440 -16.658 -0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.695 -15.856 -1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -11.371 -16.333 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -10.481 -17.873 1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -9.712 -16.374 2.093 1.00 0.00 H new ATOM 648 N THR A 50 -7.105 -19.329 -2.845 1.00 0.00 N ATOM 649 CA THR A 50 -5.868 -19.847 -3.406 1.00 0.00 C ATOM 650 C THR A 50 -4.719 -18.869 -3.157 1.00 0.00 C ATOM 651 O THR A 50 -3.731 -19.216 -2.511 1.00 0.00 O ATOM 652 CB THR A 50 -6.106 -20.139 -4.888 1.00 0.00 C ATOM 653 OG1 THR A 50 -6.969 -21.274 -4.885 1.00 0.00 O ATOM 654 CG2 THR A 50 -4.845 -20.633 -5.598 1.00 0.00 C ATOM 0 H THR A 50 -7.891 -19.304 -3.495 1.00 0.00 H new ATOM 0 HA THR A 50 -5.573 -20.777 -2.920 1.00 0.00 H new ATOM 0 HB THR A 50 -6.470 -19.237 -5.380 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.176 -21.530 -5.808 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.070 -20.825 -6.647 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.066 -19.874 -5.527 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.499 -21.553 -5.127 1.00 0.00 H new ATOM 662 N GLY A 51 -4.885 -17.663 -3.681 1.00 0.00 N ATOM 663 CA GLY A 51 -3.874 -16.632 -3.524 1.00 0.00 C ATOM 664 C GLY A 51 -4.420 -15.262 -3.932 1.00 0.00 C ATOM 665 O GLY A 51 -5.565 -14.931 -3.628 1.00 0.00 O ATOM 0 H GLY A 51 -5.706 -17.377 -4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.540 -16.600 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.003 -16.876 -4.132 1.00 0.00 H new ATOM 669 N TYR A 52 -3.575 -14.503 -4.613 1.00 0.00 N ATOM 670 CA TYR A 52 -3.958 -13.176 -5.066 1.00 0.00 C ATOM 671 C TYR A 52 -3.151 -12.762 -6.298 1.00 0.00 C ATOM 672 O TYR A 52 -1.996 -13.158 -6.449 1.00 0.00 O ATOM 673 CB TYR A 52 -3.631 -12.226 -3.913 1.00 0.00 C ATOM 674 CG TYR A 52 -4.215 -12.657 -2.566 1.00 0.00 C ATOM 675 CD1 TYR A 52 -5.499 -12.289 -2.221 1.00 0.00 C ATOM 676 CD2 TYR A 52 -3.457 -13.414 -1.695 1.00 0.00 C ATOM 677 CE1 TYR A 52 -6.050 -12.695 -0.954 1.00 0.00 C ATOM 678 CE2 TYR A 52 -4.007 -13.821 -0.428 1.00 0.00 C ATOM 679 CZ TYR A 52 -5.276 -13.440 -0.120 1.00 0.00 C ATOM 680 OH TYR A 52 -5.795 -13.824 1.077 1.00 0.00 O ATOM 0 H TYR A 52 -2.626 -14.781 -4.862 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.013 -13.154 -5.339 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.548 -12.145 -3.819 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.005 -11.232 -4.158 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.092 -11.696 -2.902 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.451 -13.701 -1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.054 -12.414 -0.673 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.426 -14.415 0.262 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.131 -14.352 1.568 1.00 0.00 H new ATOM 689 N THR A 53 -3.789 -11.971 -7.146 1.00 0.00 N ATOM 690 CA THR A 53 -3.145 -11.498 -8.359 1.00 0.00 C ATOM 691 C THR A 53 -2.802 -10.012 -8.238 1.00 0.00 C ATOM 692 O THR A 53 -3.600 -9.227 -7.728 1.00 0.00 O ATOM 693 CB THR A 53 -4.067 -11.814 -9.539 1.00 0.00 C ATOM 694 OG1 THR A 53 -4.160 -13.236 -9.534 1.00 0.00 O ATOM 695 CG2 THR A 53 -3.425 -11.487 -10.888 1.00 0.00 C ATOM 0 H THR A 53 -4.747 -11.645 -7.017 1.00 0.00 H new ATOM 0 HA THR A 53 -2.195 -12.006 -8.525 1.00 0.00 H new ATOM 0 HB THR A 53 -4.996 -11.253 -9.435 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.967 -13.580 -10.431 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.121 -11.730 -11.691 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.182 -10.425 -10.927 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.514 -12.072 -11.009 1.00 0.00 H new ATOM 703 N ILE A 54 -1.614 -9.670 -8.715 1.00 0.00 N ATOM 704 CA ILE A 54 -1.156 -8.292 -8.666 1.00 0.00 C ATOM 705 C ILE A 54 -0.977 -7.768 -10.093 1.00 0.00 C ATOM 706 O ILE A 54 -0.511 -8.494 -10.970 1.00 0.00 O ATOM 707 CB ILE A 54 0.103 -8.176 -7.805 1.00 0.00 C ATOM 708 CG1 ILE A 54 -0.173 -8.623 -6.368 1.00 0.00 C ATOM 709 CG2 ILE A 54 0.680 -6.760 -7.865 1.00 0.00 C ATOM 710 CD1 ILE A 54 0.640 -9.871 -6.016 1.00 0.00 C ATOM 0 H ILE A 54 -0.955 -10.324 -9.137 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.902 -7.659 -8.185 1.00 0.00 H new ATOM 0 HB ILE A 54 0.859 -8.848 -8.212 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.076 -7.816 -5.678 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.236 -8.831 -6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.574 -6.705 -7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.938 -6.516 -8.895 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.061 -6.049 -7.498 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.425 -10.168 -4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.371 -10.683 -6.692 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.703 -9.653 -6.116 1.00 0.00 H new ATOM 721 N GLN A 55 -1.354 -6.512 -10.279 1.00 0.00 N ATOM 722 CA GLN A 55 -1.241 -5.883 -11.584 1.00 0.00 C ATOM 723 C GLN A 55 -0.895 -4.401 -11.430 1.00 0.00 C ATOM 724 O GLN A 55 -1.409 -3.729 -10.537 1.00 0.00 O ATOM 725 CB GLN A 55 -2.525 -6.065 -12.395 1.00 0.00 C ATOM 726 CG GLN A 55 -2.876 -7.547 -12.542 1.00 0.00 C ATOM 727 CD GLN A 55 -3.741 -7.786 -13.781 1.00 0.00 C ATOM 728 OE1 GLN A 55 -3.730 -7.023 -14.734 1.00 0.00 O ATOM 729 NE2 GLN A 55 -4.487 -8.884 -13.717 1.00 0.00 N ATOM 0 H GLN A 55 -1.738 -5.913 -9.548 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.434 -6.370 -12.131 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.346 -5.540 -11.906 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.403 -5.617 -13.381 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.961 -8.135 -12.614 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.406 -7.889 -11.653 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.449 -9.479 -12.890 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.098 -9.132 -14.495 1.00 0.00 H new ATOM 736 N LYS A 56 -0.027 -3.933 -12.315 1.00 0.00 N ATOM 737 CA LYS A 56 0.393 -2.543 -12.289 1.00 0.00 C ATOM 738 C LYS A 56 0.035 -1.880 -13.620 1.00 0.00 C ATOM 739 O LYS A 56 0.240 -2.465 -14.683 1.00 0.00 O ATOM 740 CB LYS A 56 1.877 -2.438 -11.929 1.00 0.00 C ATOM 741 CG LYS A 56 2.758 -2.812 -13.124 1.00 0.00 C ATOM 742 CD LYS A 56 4.102 -3.374 -12.659 1.00 0.00 C ATOM 743 CE LYS A 56 5.047 -3.587 -13.844 1.00 0.00 C ATOM 744 NZ LYS A 56 5.823 -4.835 -13.671 1.00 0.00 N ATOM 0 H LYS A 56 0.397 -4.493 -13.055 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.140 -1.999 -11.509 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.106 -1.422 -11.607 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.099 -3.096 -11.089 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.245 -3.550 -13.742 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.923 -1.933 -13.748 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.558 -2.690 -11.944 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.945 -4.320 -12.140 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.474 -3.634 -14.770 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.726 -2.739 -13.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.615 -4.848 -14.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.194 -4.882 -12.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.207 -5.654 -13.846 1.00 0.00 H new ATOM 754 N ALA A 57 -0.493 -0.670 -13.519 1.00 0.00 N ATOM 755 CA ALA A 57 -0.882 0.078 -14.703 1.00 0.00 C ATOM 756 C ALA A 57 -0.143 1.417 -14.720 1.00 0.00 C ATOM 757 O ALA A 57 0.364 1.865 -13.693 1.00 0.00 O ATOM 758 CB ALA A 57 -2.402 0.252 -14.721 1.00 0.00 C ATOM 0 H ALA A 57 -0.661 -0.188 -12.636 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.605 -0.464 -15.607 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.694 0.813 -15.609 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.880 -0.727 -14.737 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.717 0.795 -13.830 1.00 0.00 H new ATOM 764 N ASP A 58 -0.103 2.020 -15.899 1.00 0.00 N ATOM 765 CA ASP A 58 0.567 3.298 -16.065 1.00 0.00 C ATOM 766 C ASP A 58 -0.478 4.416 -16.101 1.00 0.00 C ATOM 767 O ASP A 58 -1.663 4.156 -16.303 1.00 0.00 O ATOM 768 CB ASP A 58 1.353 3.344 -17.376 1.00 0.00 C ATOM 769 CG ASP A 58 0.954 2.285 -18.406 1.00 0.00 C ATOM 770 OD1 ASP A 58 -0.055 2.523 -19.103 1.00 0.00 O ATOM 771 OD2 ASP A 58 1.668 1.261 -18.473 1.00 0.00 O ATOM 0 H ASP A 58 -0.524 1.646 -16.749 1.00 0.00 H new ATOM 0 HA ASP A 58 1.254 3.428 -15.229 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.227 4.330 -17.823 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.413 3.229 -17.151 1.00 0.00 H new ATOM 775 N LYS A 59 -0.002 5.636 -15.904 1.00 0.00 N ATOM 776 CA LYS A 59 -0.879 6.794 -15.911 1.00 0.00 C ATOM 777 C LYS A 59 -0.872 7.424 -17.305 1.00 0.00 C ATOM 778 O LYS A 59 -1.292 8.567 -17.475 1.00 0.00 O ATOM 779 CB LYS A 59 -0.493 7.766 -14.795 1.00 0.00 C ATOM 780 CG LYS A 59 -1.618 7.892 -13.765 1.00 0.00 C ATOM 781 CD LYS A 59 -2.725 8.818 -14.274 1.00 0.00 C ATOM 782 CE LYS A 59 -2.824 10.080 -13.415 1.00 0.00 C ATOM 783 NZ LYS A 59 -3.322 11.218 -14.221 1.00 0.00 N ATOM 0 H LYS A 59 0.982 5.848 -15.738 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.906 6.496 -15.700 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.417 7.420 -14.305 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.273 8.745 -15.220 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.032 6.907 -13.551 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.217 8.279 -12.828 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.526 9.094 -15.310 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.679 8.291 -14.263 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.493 9.902 -12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.846 10.322 -12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.383 12.067 -13.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.668 11.397 -15.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.265 10.991 -14.597 1.00 0.00 H new ATOM 793 N LYS A 60 -0.392 6.650 -18.267 1.00 0.00 N ATOM 794 CA LYS A 60 -0.326 7.118 -19.642 1.00 0.00 C ATOM 795 C LYS A 60 -1.236 6.252 -20.515 1.00 0.00 C ATOM 796 O LYS A 60 -1.811 6.736 -21.489 1.00 0.00 O ATOM 797 CB LYS A 60 1.126 7.164 -20.122 1.00 0.00 C ATOM 798 CG LYS A 60 1.766 5.775 -20.069 1.00 0.00 C ATOM 799 CD LYS A 60 3.036 5.788 -19.219 1.00 0.00 C ATOM 800 CE LYS A 60 4.273 5.503 -20.074 1.00 0.00 C ATOM 801 NZ LYS A 60 5.409 5.089 -19.222 1.00 0.00 N ATOM 0 H LYS A 60 -0.045 5.702 -18.122 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.694 8.141 -19.715 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.164 7.547 -21.142 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.696 7.855 -19.501 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.055 5.059 -19.656 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.004 5.442 -21.079 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.142 6.758 -18.732 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.956 5.042 -18.429 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.049 4.719 -20.798 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.543 6.393 -20.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.240 4.900 -19.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.633 5.849 -18.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.155 4.227 -18.699 1.00 0.00 H new ATOM 811 N SER A 61 -1.338 4.987 -20.136 1.00 0.00 N ATOM 812 CA SER A 61 -2.168 4.049 -20.872 1.00 0.00 C ATOM 813 C SER A 61 -3.103 3.311 -19.911 1.00 0.00 C ATOM 814 O SER A 61 -4.278 3.110 -20.215 1.00 0.00 O ATOM 815 CB SER A 61 -1.312 3.050 -21.653 1.00 0.00 C ATOM 816 OG SER A 61 -1.275 3.350 -23.045 1.00 0.00 O ATOM 0 H SER A 61 -0.859 4.589 -19.328 1.00 0.00 H new ATOM 0 HA SER A 61 -2.766 4.612 -21.589 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.297 3.053 -21.255 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.707 2.044 -21.510 1.00 0.00 H new ATOM 0 HG SER A 61 -0.717 2.690 -23.507 1.00 0.00 H new ATOM 821 N MET A 62 -2.546 2.927 -18.773 1.00 0.00 N ATOM 822 CA MET A 62 -3.315 2.215 -17.766 1.00 0.00 C ATOM 823 C MET A 62 -3.782 0.856 -18.292 1.00 0.00 C ATOM 824 O MET A 62 -4.876 0.402 -17.962 1.00 0.00 O ATOM 825 CB MET A 62 -4.530 3.053 -17.366 1.00 0.00 C ATOM 826 CG MET A 62 -4.238 3.878 -16.110 1.00 0.00 C ATOM 827 SD MET A 62 -5.756 4.210 -15.231 1.00 0.00 S ATOM 828 CE MET A 62 -5.942 2.672 -14.344 1.00 0.00 C ATOM 0 H MET A 62 -1.571 3.095 -18.525 1.00 0.00 H new ATOM 0 HA MET A 62 -2.676 2.047 -16.899 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.804 3.717 -18.186 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.384 2.400 -17.186 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.545 3.339 -15.464 1.00 0.00 H new ATOM 0 HG3 MET A 62 -3.755 4.816 -16.385 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.889 2.207 -14.617 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.121 2.002 -14.601 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.930 2.867 -13.272 1.00 0.00 H new ATOM 836 N GLU A 63 -2.928 0.246 -19.102 1.00 0.00 N ATOM 837 CA GLU A 63 -3.241 -1.052 -19.676 1.00 0.00 C ATOM 838 C GLU A 63 -2.884 -2.168 -18.693 1.00 0.00 C ATOM 839 O GLU A 63 -2.905 -3.344 -19.050 1.00 0.00 O ATOM 840 CB GLU A 63 -2.520 -1.247 -21.013 1.00 0.00 C ATOM 841 CG GLU A 63 -3.391 -0.774 -22.179 1.00 0.00 C ATOM 842 CD GLU A 63 -3.684 -1.923 -23.146 1.00 0.00 C ATOM 843 OE1 GLU A 63 -2.729 -2.343 -23.834 1.00 0.00 O ATOM 844 OE2 GLU A 63 -4.857 -2.355 -23.174 1.00 0.00 O ATOM 0 H GLU A 63 -2.021 0.626 -19.374 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.313 -1.094 -19.868 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.581 -0.694 -21.008 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.269 -2.300 -21.145 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.328 -0.368 -21.797 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.887 0.033 -22.710 1.00 0.00 H new ATOM 849 N TRP A 64 -2.564 -1.758 -17.474 1.00 0.00 N ATOM 850 CA TRP A 64 -2.203 -2.709 -16.437 1.00 0.00 C ATOM 851 C TRP A 64 -1.223 -3.717 -17.039 1.00 0.00 C ATOM 852 O TRP A 64 -0.704 -3.505 -18.134 1.00 0.00 O ATOM 853 CB TRP A 64 -3.448 -3.369 -15.840 1.00 0.00 C ATOM 854 CG TRP A 64 -4.436 -2.381 -15.216 1.00 0.00 C ATOM 855 CD1 TRP A 64 -5.511 -1.818 -15.786 1.00 0.00 C ATOM 856 CD2 TRP A 64 -4.398 -1.861 -13.870 1.00 0.00 C ATOM 857 NE1 TRP A 64 -6.165 -0.977 -14.910 1.00 0.00 N ATOM 858 CE2 TRP A 64 -5.467 -1.004 -13.708 1.00 0.00 C ATOM 859 CE3 TRP A 64 -3.490 -2.108 -12.825 1.00 0.00 C ATOM 860 CZ2 TRP A 64 -5.728 -0.323 -12.513 1.00 0.00 C ATOM 861 CZ3 TRP A 64 -3.766 -1.419 -11.637 1.00 0.00 C ATOM 862 CH2 TRP A 64 -4.837 -0.553 -11.458 1.00 0.00 C ATOM 0 H TRP A 64 -2.547 -0.781 -17.182 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.714 -2.203 -15.604 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -3.958 -3.933 -16.621 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.138 -4.086 -15.080 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.825 -2.000 -16.803 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.006 -0.435 -15.108 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.647 -2.775 -12.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.571 0.344 -12.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.099 -1.572 -10.801 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.982 -0.059 -10.509 1.00 0.00 H new ATOM 872 N PHE A 65 -0.997 -4.792 -16.298 1.00 0.00 N ATOM 873 CA PHE A 65 -0.089 -5.833 -16.746 1.00 0.00 C ATOM 874 C PHE A 65 0.110 -6.892 -15.658 1.00 0.00 C ATOM 875 O PHE A 65 0.582 -6.583 -14.565 1.00 0.00 O ATOM 876 CB PHE A 65 1.254 -5.160 -17.037 1.00 0.00 C ATOM 877 CG PHE A 65 1.803 -5.449 -18.435 1.00 0.00 C ATOM 878 CD1 PHE A 65 0.959 -5.511 -19.499 1.00 0.00 C ATOM 879 CD2 PHE A 65 3.138 -5.644 -18.614 1.00 0.00 C ATOM 880 CE1 PHE A 65 1.469 -5.779 -20.797 1.00 0.00 C ATOM 881 CE2 PHE A 65 3.649 -5.912 -19.912 1.00 0.00 C ATOM 882 CZ PHE A 65 2.803 -5.974 -20.975 1.00 0.00 C ATOM 0 H PHE A 65 -1.428 -4.964 -15.390 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.496 -6.328 -17.628 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.143 -4.082 -16.917 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.982 -5.490 -16.296 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.100 -5.356 -19.357 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.809 -5.595 -17.769 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.798 -5.828 -21.642 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.708 -6.066 -20.055 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.191 -6.178 -21.962 1.00 0.00 H new ATOM 891 N THR A 66 -0.260 -8.119 -15.997 1.00 0.00 N ATOM 892 CA THR A 66 -0.127 -9.225 -15.064 1.00 0.00 C ATOM 893 C THR A 66 1.288 -9.267 -14.484 1.00 0.00 C ATOM 894 O THR A 66 2.243 -9.587 -15.191 1.00 0.00 O ATOM 895 CB THR A 66 -0.524 -10.509 -15.794 1.00 0.00 C ATOM 896 OG1 THR A 66 -1.902 -10.321 -16.104 1.00 0.00 O ATOM 897 CG2 THR A 66 -0.512 -11.732 -14.875 1.00 0.00 C ATOM 0 H THR A 66 -0.652 -8.371 -16.904 1.00 0.00 H new ATOM 0 HA THR A 66 -0.791 -9.103 -14.208 1.00 0.00 H new ATOM 0 HB THR A 66 0.156 -10.676 -16.630 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.240 -11.108 -16.581 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.801 -12.616 -15.443 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.490 -11.873 -14.469 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.216 -11.580 -14.057 1.00 0.00 H new ATOM 905 N VAL A 67 1.378 -8.940 -13.204 1.00 0.00 N ATOM 906 CA VAL A 67 2.661 -8.936 -12.522 1.00 0.00 C ATOM 907 C VAL A 67 2.957 -10.342 -11.994 1.00 0.00 C ATOM 908 O VAL A 67 4.084 -10.825 -12.102 1.00 0.00 O ATOM 909 CB VAL A 67 2.667 -7.873 -11.421 1.00 0.00 C ATOM 910 CG1 VAL A 67 3.862 -8.059 -10.485 1.00 0.00 C ATOM 911 CG2 VAL A 67 2.652 -6.465 -12.020 1.00 0.00 C ATOM 0 H VAL A 67 0.584 -8.676 -12.621 1.00 0.00 H new ATOM 0 HA VAL A 67 3.460 -8.672 -13.215 1.00 0.00 H new ATOM 0 HB VAL A 67 1.759 -7.996 -10.831 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.842 -7.291 -9.712 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.810 -9.043 -10.020 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.787 -7.976 -11.055 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.657 -5.728 -11.217 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.534 -6.326 -12.645 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.755 -6.337 -12.625 1.00 0.00 H new ATOM 921 N ILE A 68 1.926 -10.960 -11.437 1.00 0.00 N ATOM 922 CA ILE A 68 2.062 -12.301 -10.894 1.00 0.00 C ATOM 923 C ILE A 68 0.674 -12.930 -10.747 1.00 0.00 C ATOM 924 O ILE A 68 -0.337 -12.233 -10.817 1.00 0.00 O ATOM 925 CB ILE A 68 2.865 -12.273 -9.592 1.00 0.00 C ATOM 926 CG1 ILE A 68 4.110 -13.155 -9.696 1.00 0.00 C ATOM 927 CG2 ILE A 68 1.988 -12.659 -8.399 1.00 0.00 C ATOM 928 CD1 ILE A 68 3.731 -14.608 -9.987 1.00 0.00 C ATOM 0 H ILE A 68 0.993 -10.557 -11.350 1.00 0.00 H new ATOM 0 HA ILE A 68 2.629 -12.933 -11.578 1.00 0.00 H new ATOM 0 HB ILE A 68 3.207 -11.252 -9.424 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.760 -12.780 -10.486 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.676 -13.103 -8.766 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.583 -12.631 -7.486 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.160 -11.956 -8.314 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.596 -13.665 -8.546 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.635 -15.213 -10.056 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.101 -14.988 -9.183 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.187 -14.660 -10.930 1.00 0.00 H new ATOM 939 N GLU A 69 0.672 -14.239 -10.547 1.00 0.00 N ATOM 940 CA GLU A 69 -0.574 -14.970 -10.390 1.00 0.00 C ATOM 941 C GLU A 69 -0.440 -16.017 -9.283 1.00 0.00 C ATOM 942 O GLU A 69 0.669 -16.426 -8.941 1.00 0.00 O ATOM 943 CB GLU A 69 -1.000 -15.619 -11.710 1.00 0.00 C ATOM 944 CG GLU A 69 -1.247 -14.559 -12.786 1.00 0.00 C ATOM 945 CD GLU A 69 -2.706 -14.577 -13.247 1.00 0.00 C ATOM 946 OE1 GLU A 69 -3.573 -14.821 -12.380 1.00 0.00 O ATOM 947 OE2 GLU A 69 -2.922 -14.348 -14.457 1.00 0.00 O ATOM 0 H GLU A 69 1.513 -14.813 -10.490 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.353 -14.263 -10.102 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.227 -16.310 -12.046 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.906 -16.204 -11.556 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.998 -13.573 -12.394 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.590 -14.739 -13.637 1.00 0.00 H new ATOM 952 N HIS A 70 -1.585 -16.422 -8.754 1.00 0.00 N ATOM 953 CA HIS A 70 -1.609 -17.414 -7.692 1.00 0.00 C ATOM 954 C HIS A 70 -0.445 -17.166 -6.731 1.00 0.00 C ATOM 955 O HIS A 70 0.430 -18.016 -6.576 1.00 0.00 O ATOM 956 CB HIS A 70 -1.607 -18.830 -8.272 1.00 0.00 C ATOM 957 CG HIS A 70 -2.404 -18.973 -9.546 1.00 0.00 C ATOM 958 ND1 HIS A 70 -3.662 -19.549 -9.583 1.00 0.00 N ATOM 959 CD2 HIS A 70 -2.109 -18.610 -10.827 1.00 0.00 C ATOM 960 CE1 HIS A 70 -4.095 -19.527 -10.836 1.00 0.00 C ATOM 961 NE2 HIS A 70 -3.131 -18.945 -11.605 1.00 0.00 N ATOM 0 H HIS A 70 -2.503 -16.082 -9.041 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.533 -17.318 -7.121 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.577 -19.131 -8.464 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.007 -19.517 -7.526 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -4.170 -19.926 -8.783 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.198 -18.131 -11.153 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.045 -19.904 -11.186 1.00 0.00 H new ATOM 968 N TYR A 71 -0.473 -15.996 -6.110 1.00 0.00 N ATOM 969 CA TYR A 71 0.569 -15.625 -5.167 1.00 0.00 C ATOM 970 C TYR A 71 0.329 -16.271 -3.802 1.00 0.00 C ATOM 971 O TYR A 71 -0.483 -17.186 -3.678 1.00 0.00 O ATOM 972 CB TYR A 71 0.483 -14.104 -5.021 1.00 0.00 C ATOM 973 CG TYR A 71 1.822 -13.432 -4.715 1.00 0.00 C ATOM 974 CD1 TYR A 71 2.949 -13.775 -5.435 1.00 0.00 C ATOM 975 CD2 TYR A 71 1.905 -12.480 -3.718 1.00 0.00 C ATOM 976 CE1 TYR A 71 4.209 -13.143 -5.147 1.00 0.00 C ATOM 977 CE2 TYR A 71 3.166 -11.847 -3.430 1.00 0.00 C ATOM 978 CZ TYR A 71 4.256 -12.209 -4.158 1.00 0.00 C ATOM 979 OH TYR A 71 5.447 -11.612 -3.886 1.00 0.00 O ATOM 0 H TYR A 71 -1.200 -15.293 -6.241 1.00 0.00 H new ATOM 0 HA TYR A 71 1.544 -15.957 -5.523 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.079 -13.683 -5.942 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.222 -13.865 -4.225 1.00 0.00 H new ATOM 0 HD1 TYR A 71 2.885 -14.519 -6.215 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.024 -12.210 -3.154 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.097 -13.404 -5.703 1.00 0.00 H new ATOM 0 HE2 TYR A 71 3.244 -11.101 -2.653 1.00 0.00 H new ATOM 0 HH TYR A 71 5.331 -10.966 -3.158 1.00 0.00 H new ATOM 988 N HIS A 72 1.050 -15.768 -2.810 1.00 0.00 N ATOM 989 CA HIS A 72 0.926 -16.285 -1.458 1.00 0.00 C ATOM 990 C HIS A 72 0.871 -15.121 -0.467 1.00 0.00 C ATOM 991 O HIS A 72 -0.177 -14.846 0.117 1.00 0.00 O ATOM 992 CB HIS A 72 2.050 -17.274 -1.148 1.00 0.00 C ATOM 993 CG HIS A 72 1.680 -18.719 -1.384 1.00 0.00 C ATOM 994 ND1 HIS A 72 2.619 -19.701 -1.646 1.00 0.00 N ATOM 995 CD2 HIS A 72 0.464 -19.338 -1.393 1.00 0.00 C ATOM 996 CE1 HIS A 72 1.986 -20.854 -1.807 1.00 0.00 C ATOM 997 NE2 HIS A 72 0.650 -20.626 -1.649 1.00 0.00 N ATOM 0 H HIS A 72 1.722 -15.008 -2.916 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.006 -16.843 -1.363 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.917 -17.027 -1.761 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.351 -17.152 -0.107 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.489 -18.860 -1.221 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.446 -21.806 -2.025 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.085 -21.330 -1.717 1.00 0.00 H new ATOM 1004 N ARG A 73 2.012 -14.468 -0.306 1.00 0.00 N ATOM 1005 CA ARG A 73 2.108 -13.339 0.605 1.00 0.00 C ATOM 1006 C ARG A 73 1.058 -12.284 0.253 1.00 0.00 C ATOM 1007 O ARG A 73 0.457 -12.333 -0.819 1.00 0.00 O ATOM 1008 CB ARG A 73 3.499 -12.705 0.551 1.00 0.00 C ATOM 1009 CG ARG A 73 4.415 -13.300 1.622 1.00 0.00 C ATOM 1010 CD ARG A 73 4.559 -12.349 2.811 1.00 0.00 C ATOM 1011 NE ARG A 73 4.178 -13.041 4.062 1.00 0.00 N ATOM 1012 CZ ARG A 73 4.032 -12.428 5.245 1.00 0.00 C ATOM 1013 NH1 ARG A 73 4.233 -11.108 5.345 1.00 0.00 N ATOM 1014 NH2 ARG A 73 3.682 -13.136 6.328 1.00 0.00 N ATOM 0 H ARG A 73 2.879 -14.699 -0.791 1.00 0.00 H new ATOM 0 HA ARG A 73 1.930 -13.710 1.614 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.936 -12.863 -0.435 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.417 -11.628 0.695 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.011 -14.254 1.962 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.396 -13.504 1.194 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.587 -11.994 2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.928 -11.472 2.664 1.00 0.00 H new ATOM 0 HE ARG A 73 4.016 -14.047 4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.497 -10.568 4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.122 -10.642 6.245 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.527 -14.141 6.252 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.571 -12.670 7.228 1.00 0.00 H new ATOM 1025 N THR A 74 0.870 -11.352 1.176 1.00 0.00 N ATOM 1026 CA THR A 74 -0.096 -10.285 0.977 1.00 0.00 C ATOM 1027 C THR A 74 0.605 -9.015 0.490 1.00 0.00 C ATOM 1028 O THR A 74 -0.036 -7.982 0.301 1.00 0.00 O ATOM 1029 CB THR A 74 -0.864 -10.092 2.285 1.00 0.00 C ATOM 1030 OG1 THR A 74 0.154 -10.047 3.281 1.00 0.00 O ATOM 1031 CG2 THR A 74 -1.698 -11.319 2.661 1.00 0.00 C ATOM 0 H THR A 74 1.371 -11.314 2.064 1.00 0.00 H new ATOM 0 HA THR A 74 -0.814 -10.541 0.198 1.00 0.00 H new ATOM 0 HB THR A 74 -1.516 -9.223 2.198 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.256 -9.922 4.162 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.223 -11.129 3.597 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.423 -11.521 1.873 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.043 -12.182 2.781 1.00 0.00 H new ATOM 1039 N SER A 75 1.911 -9.133 0.302 1.00 0.00 N ATOM 1040 CA SER A 75 2.706 -8.007 -0.158 1.00 0.00 C ATOM 1041 C SER A 75 3.713 -8.472 -1.211 1.00 0.00 C ATOM 1042 O SER A 75 4.140 -9.626 -1.199 1.00 0.00 O ATOM 1043 CB SER A 75 3.431 -7.332 1.007 1.00 0.00 C ATOM 1044 OG SER A 75 3.330 -8.089 2.210 1.00 0.00 O ATOM 0 H SER A 75 2.439 -9.991 0.460 1.00 0.00 H new ATOM 0 HA SER A 75 2.034 -7.275 -0.606 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.482 -7.197 0.751 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.012 -6.339 1.168 1.00 0.00 H new ATOM 0 HG SER A 75 3.807 -7.625 2.929 1.00 0.00 H new ATOM 1049 N ALA A 76 4.062 -7.552 -2.099 1.00 0.00 N ATOM 1050 CA ALA A 76 5.010 -7.855 -3.157 1.00 0.00 C ATOM 1051 C ALA A 76 5.680 -6.560 -3.621 1.00 0.00 C ATOM 1052 O ALA A 76 5.050 -5.503 -3.638 1.00 0.00 O ATOM 1053 CB ALA A 76 4.291 -8.580 -4.295 1.00 0.00 C ATOM 0 H ALA A 76 3.705 -6.597 -2.107 1.00 0.00 H new ATOM 0 HA ALA A 76 5.793 -8.519 -2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.003 -8.807 -5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.858 -9.507 -3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.499 -7.943 -4.689 1.00 0.00 H new ATOM 1059 N THR A 77 6.947 -6.684 -3.988 1.00 0.00 N ATOM 1060 CA THR A 77 7.708 -5.537 -4.452 1.00 0.00 C ATOM 1061 C THR A 77 7.710 -5.481 -5.981 1.00 0.00 C ATOM 1062 O THR A 77 8.116 -6.438 -6.639 1.00 0.00 O ATOM 1063 CB THR A 77 9.109 -5.622 -3.844 1.00 0.00 C ATOM 1064 OG1 THR A 77 8.888 -5.493 -2.442 1.00 0.00 O ATOM 1065 CG2 THR A 77 9.975 -4.412 -4.197 1.00 0.00 C ATOM 0 H THR A 77 7.466 -7.562 -3.973 1.00 0.00 H new ATOM 0 HA THR A 77 7.253 -4.602 -4.125 1.00 0.00 H new ATOM 0 HB THR A 77 9.599 -6.532 -4.189 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.746 -5.539 -1.970 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.959 -4.523 -3.741 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.083 -4.345 -5.280 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.502 -3.504 -3.823 1.00 0.00 H new ATOM 1073 N ILE A 78 7.255 -4.351 -6.501 1.00 0.00 N ATOM 1074 CA ILE A 78 7.200 -4.159 -7.940 1.00 0.00 C ATOM 1075 C ILE A 78 8.555 -3.649 -8.434 1.00 0.00 C ATOM 1076 O ILE A 78 9.214 -2.865 -7.752 1.00 0.00 O ATOM 1077 CB ILE A 78 6.027 -3.250 -8.315 1.00 0.00 C ATOM 1078 CG1 ILE A 78 4.774 -3.614 -7.516 1.00 0.00 C ATOM 1079 CG2 ILE A 78 5.773 -3.276 -9.824 1.00 0.00 C ATOM 1080 CD1 ILE A 78 4.158 -4.919 -8.028 1.00 0.00 C ATOM 0 H ILE A 78 6.921 -3.559 -5.952 1.00 0.00 H new ATOM 0 HA ILE A 78 7.012 -5.107 -8.444 1.00 0.00 H new ATOM 0 HB ILE A 78 6.291 -2.226 -8.051 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.028 -3.717 -6.461 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.043 -2.809 -7.591 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.935 -2.622 -10.063 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.664 -2.931 -10.349 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.539 -4.294 -10.136 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.269 -5.156 -7.444 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.883 -4.805 -9.077 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.883 -5.727 -7.929 1.00 0.00 H new ATOM 1091 N THR A 79 8.932 -4.115 -9.615 1.00 0.00 N ATOM 1092 CA THR A 79 10.198 -3.716 -10.209 1.00 0.00 C ATOM 1093 C THR A 79 9.976 -3.173 -11.621 1.00 0.00 C ATOM 1094 O THR A 79 8.851 -3.163 -12.118 1.00 0.00 O ATOM 1095 CB THR A 79 11.142 -4.919 -10.161 1.00 0.00 C ATOM 1096 OG1 THR A 79 10.300 -6.033 -10.446 1.00 0.00 O ATOM 1097 CG2 THR A 79 11.665 -5.198 -8.750 1.00 0.00 C ATOM 0 H THR A 79 8.383 -4.765 -10.178 1.00 0.00 H new ATOM 0 HA THR A 79 10.659 -2.901 -9.650 1.00 0.00 H new ATOM 0 HB THR A 79 11.983 -4.746 -10.832 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.832 -6.856 -10.437 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.330 -6.061 -8.773 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.212 -4.328 -8.386 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.826 -5.404 -8.085 1.00 0.00 H new ATOM 1105 N GLU A 80 11.068 -2.734 -12.230 1.00 0.00 N ATOM 1106 CA GLU A 80 11.007 -2.190 -13.577 1.00 0.00 C ATOM 1107 C GLU A 80 10.030 -1.014 -13.630 1.00 0.00 C ATOM 1108 O GLU A 80 9.003 -1.087 -14.303 1.00 0.00 O ATOM 1109 CB GLU A 80 10.621 -3.271 -14.587 1.00 0.00 C ATOM 1110 CG GLU A 80 11.859 -3.833 -15.288 1.00 0.00 C ATOM 1111 CD GLU A 80 11.517 -4.321 -16.698 1.00 0.00 C ATOM 1112 OE1 GLU A 80 10.816 -5.353 -16.787 1.00 0.00 O ATOM 1113 OE2 GLU A 80 11.964 -3.651 -17.654 1.00 0.00 O ATOM 0 H GLU A 80 12.000 -2.744 -11.816 1.00 0.00 H new ATOM 0 HA GLU A 80 11.998 -1.825 -13.847 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.090 -4.076 -14.079 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.937 -2.855 -15.327 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.631 -3.065 -15.342 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.270 -4.657 -14.704 1.00 0.00 H new ATOM 1118 N LEU A 81 10.385 0.043 -12.913 1.00 0.00 N ATOM 1119 CA LEU A 81 9.552 1.232 -12.871 1.00 0.00 C ATOM 1120 C LEU A 81 10.380 2.445 -13.300 1.00 0.00 C ATOM 1121 O LEU A 81 11.524 2.600 -12.878 1.00 0.00 O ATOM 1122 CB LEU A 81 8.905 1.385 -11.493 1.00 0.00 C ATOM 1123 CG LEU A 81 7.923 0.284 -11.087 1.00 0.00 C ATOM 1124 CD1 LEU A 81 7.594 0.366 -9.595 1.00 0.00 C ATOM 1125 CD2 LEU A 81 6.664 0.324 -11.955 1.00 0.00 C ATOM 0 H LEU A 81 11.238 0.100 -12.357 1.00 0.00 H new ATOM 0 HA LEU A 81 8.726 1.144 -13.577 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.697 1.432 -10.745 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.381 2.340 -11.464 1.00 0.00 H new ATOM 0 HG LEU A 81 8.401 -0.680 -11.259 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.894 -0.427 -9.333 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.509 0.250 -9.014 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.144 1.334 -9.374 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.983 -0.469 -11.645 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.173 1.290 -11.839 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.938 0.179 -13.000 1.00 0.00 H new ATOM 1136 N VAL A 82 9.769 3.274 -14.133 1.00 0.00 N ATOM 1137 CA VAL A 82 10.435 4.469 -14.624 1.00 0.00 C ATOM 1138 C VAL A 82 10.235 5.607 -13.621 1.00 0.00 C ATOM 1139 O VAL A 82 9.113 5.868 -13.189 1.00 0.00 O ATOM 1140 CB VAL A 82 9.931 4.811 -16.026 1.00 0.00 C ATOM 1141 CG1 VAL A 82 10.571 6.103 -16.539 1.00 0.00 C ATOM 1142 CG2 VAL A 82 10.178 3.654 -16.996 1.00 0.00 C ATOM 0 H VAL A 82 8.819 3.142 -14.481 1.00 0.00 H new ATOM 0 HA VAL A 82 11.508 4.299 -14.713 1.00 0.00 H new ATOM 0 HB VAL A 82 8.855 4.972 -15.964 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.195 6.323 -17.538 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.321 6.925 -15.868 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.654 5.983 -16.577 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.810 3.924 -17.986 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.247 3.447 -17.050 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.654 2.766 -16.644 1.00 0.00 H new ATOM 1152 N ILE A 83 11.339 6.255 -13.281 1.00 0.00 N ATOM 1153 CA ILE A 83 11.298 7.360 -12.339 1.00 0.00 C ATOM 1154 C ILE A 83 10.738 8.601 -13.037 1.00 0.00 C ATOM 1155 O ILE A 83 11.196 8.969 -14.117 1.00 0.00 O ATOM 1156 CB ILE A 83 12.675 7.578 -11.709 1.00 0.00 C ATOM 1157 CG1 ILE A 83 13.072 6.389 -10.831 1.00 0.00 C ATOM 1158 CG2 ILE A 83 12.724 8.899 -10.939 1.00 0.00 C ATOM 1159 CD1 ILE A 83 14.499 6.548 -10.303 1.00 0.00 C ATOM 0 H ILE A 83 12.268 6.036 -13.641 1.00 0.00 H new ATOM 0 HA ILE A 83 10.627 7.130 -11.512 1.00 0.00 H new ATOM 0 HB ILE A 83 13.409 7.645 -12.512 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.379 6.303 -9.994 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.994 5.466 -11.406 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.714 9.029 -10.501 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.517 9.725 -11.620 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.976 8.886 -10.146 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.755 5.689 -9.682 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.193 6.609 -11.142 1.00 0.00 H new ATOM 0 HD13 ILE A 83 14.568 7.459 -9.708 1.00 0.00 H new ATOM 1170 N GLY A 84 9.756 9.212 -12.390 1.00 0.00 N ATOM 1171 CA GLY A 84 9.129 10.404 -12.936 1.00 0.00 C ATOM 1172 C GLY A 84 7.763 10.076 -13.543 1.00 0.00 C ATOM 1173 O GLY A 84 7.428 10.556 -14.624 1.00 0.00 O ATOM 0 H GLY A 84 9.379 8.904 -11.493 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.012 11.150 -12.150 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.774 10.842 -13.698 1.00 0.00 H new ATOM 1177 N ASN A 85 7.011 9.260 -12.819 1.00 0.00 N ATOM 1178 CA ASN A 85 5.689 8.862 -13.272 1.00 0.00 C ATOM 1179 C ASN A 85 4.981 8.094 -12.154 1.00 0.00 C ATOM 1180 O ASN A 85 5.620 7.645 -11.204 1.00 0.00 O ATOM 1181 CB ASN A 85 5.777 7.944 -14.493 1.00 0.00 C ATOM 1182 CG ASN A 85 5.716 8.752 -15.791 1.00 0.00 C ATOM 1183 OD1 ASN A 85 4.882 9.623 -15.972 1.00 0.00 O ATOM 1184 ND2 ASN A 85 6.645 8.415 -16.682 1.00 0.00 N ATOM 0 H ASN A 85 7.292 8.864 -11.922 1.00 0.00 H new ATOM 0 HA ASN A 85 5.139 9.765 -13.539 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.706 7.374 -14.458 1.00 0.00 H new ATOM 0 HB3 ASN A 85 4.960 7.223 -14.470 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.688 8.896 -17.580 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.314 7.676 -16.467 1.00 0.00 H new ATOM 1190 N GLU A 86 3.671 7.965 -12.305 1.00 0.00 N ATOM 1191 CA GLU A 86 2.869 7.259 -11.320 1.00 0.00 C ATOM 1192 C GLU A 86 2.199 6.040 -11.957 1.00 0.00 C ATOM 1193 O GLU A 86 2.038 5.982 -13.175 1.00 0.00 O ATOM 1194 CB GLU A 86 1.831 8.188 -10.690 1.00 0.00 C ATOM 1195 CG GLU A 86 1.114 9.016 -11.759 1.00 0.00 C ATOM 1196 CD GLU A 86 1.909 10.277 -12.102 1.00 0.00 C ATOM 1197 OE1 GLU A 86 2.642 10.747 -11.205 1.00 0.00 O ATOM 1198 OE2 GLU A 86 1.765 10.743 -13.252 1.00 0.00 O ATOM 0 H GLU A 86 3.145 8.338 -13.095 1.00 0.00 H new ATOM 0 HA GLU A 86 3.528 6.913 -10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.103 7.600 -10.132 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.318 8.853 -9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.975 8.414 -12.657 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.121 9.293 -11.404 1.00 0.00 H new ATOM 1203 N TYR A 87 1.826 5.097 -11.104 1.00 0.00 N ATOM 1204 CA TYR A 87 1.177 3.883 -11.567 1.00 0.00 C ATOM 1205 C TYR A 87 0.046 3.471 -10.623 1.00 0.00 C ATOM 1206 O TYR A 87 -0.068 3.999 -9.518 1.00 0.00 O ATOM 1207 CB TYR A 87 2.255 2.798 -11.558 1.00 0.00 C ATOM 1208 CG TYR A 87 3.442 3.091 -12.478 1.00 0.00 C ATOM 1209 CD1 TYR A 87 4.505 3.839 -12.016 1.00 0.00 C ATOM 1210 CD2 TYR A 87 3.448 2.606 -13.770 1.00 0.00 C ATOM 1211 CE1 TYR A 87 5.621 4.115 -12.882 1.00 0.00 C ATOM 1212 CE2 TYR A 87 4.565 2.882 -14.636 1.00 0.00 C ATOM 1213 CZ TYR A 87 5.597 3.622 -14.150 1.00 0.00 C ATOM 1214 OH TYR A 87 6.651 3.883 -14.968 1.00 0.00 O ATOM 0 H TYR A 87 1.961 5.150 -10.094 1.00 0.00 H new ATOM 0 HA TYR A 87 0.744 4.033 -12.556 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.621 2.673 -10.539 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.805 1.851 -11.854 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.500 4.218 -11.005 1.00 0.00 H new ATOM 0 HD2 TYR A 87 2.616 2.020 -14.131 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.459 4.700 -12.533 1.00 0.00 H new ATOM 0 HE2 TYR A 87 4.583 2.509 -15.650 1.00 0.00 H new ATOM 0 HH TYR A 87 6.497 3.468 -15.842 1.00 0.00 H new ATOM 1223 N TYR A 88 -0.761 2.530 -11.092 1.00 0.00 N ATOM 1224 CA TYR A 88 -1.879 2.041 -10.304 1.00 0.00 C ATOM 1225 C TYR A 88 -1.755 0.537 -10.051 1.00 0.00 C ATOM 1226 O TYR A 88 -1.352 -0.213 -10.938 1.00 0.00 O ATOM 1227 CB TYR A 88 -3.133 2.304 -11.140 1.00 0.00 C ATOM 1228 CG TYR A 88 -3.652 3.741 -11.048 1.00 0.00 C ATOM 1229 CD1 TYR A 88 -3.988 4.276 -9.821 1.00 0.00 C ATOM 1230 CD2 TYR A 88 -3.784 4.500 -12.192 1.00 0.00 C ATOM 1231 CE1 TYR A 88 -4.476 5.628 -9.735 1.00 0.00 C ATOM 1232 CE2 TYR A 88 -4.272 5.852 -12.107 1.00 0.00 C ATOM 1233 CZ TYR A 88 -4.594 6.350 -10.882 1.00 0.00 C ATOM 1234 OH TYR A 88 -5.056 7.626 -10.800 1.00 0.00 O ATOM 0 H TYR A 88 -0.662 2.093 -12.008 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.912 2.539 -9.335 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.917 2.073 -12.183 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.921 1.623 -10.819 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.885 3.681 -8.926 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.521 4.080 -13.152 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.742 6.059 -8.781 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.380 6.457 -12.995 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.087 8.021 -11.696 1.00 0.00 H new ATOM 1243 N PHE A 89 -2.109 0.142 -8.837 1.00 0.00 N ATOM 1244 CA PHE A 89 -2.042 -1.259 -8.456 1.00 0.00 C ATOM 1245 C PHE A 89 -3.403 -1.759 -7.969 1.00 0.00 C ATOM 1246 O PHE A 89 -4.165 -1.007 -7.363 1.00 0.00 O ATOM 1247 CB PHE A 89 -1.034 -1.363 -7.311 1.00 0.00 C ATOM 1248 CG PHE A 89 0.384 -0.934 -7.690 1.00 0.00 C ATOM 1249 CD1 PHE A 89 1.057 -1.597 -8.668 1.00 0.00 C ATOM 1250 CD2 PHE A 89 0.973 0.111 -7.048 1.00 0.00 C ATOM 1251 CE1 PHE A 89 2.375 -1.199 -9.019 1.00 0.00 C ATOM 1252 CE2 PHE A 89 2.290 0.509 -7.399 1.00 0.00 C ATOM 1253 CZ PHE A 89 2.963 -0.154 -8.377 1.00 0.00 C ATOM 0 H PHE A 89 -2.443 0.768 -8.104 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.747 -1.865 -9.313 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.379 -0.748 -6.480 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.008 -2.393 -6.956 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.590 -2.426 -9.178 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.439 0.638 -6.271 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.910 -1.726 -9.795 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.757 1.338 -6.889 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.965 0.149 -8.644 1.00 0.00 H new ATOM 1262 N ARG A 90 -3.668 -3.026 -8.253 1.00 0.00 N ATOM 1263 CA ARG A 90 -4.924 -3.637 -7.852 1.00 0.00 C ATOM 1264 C ARG A 90 -4.725 -5.128 -7.575 1.00 0.00 C ATOM 1265 O ARG A 90 -4.239 -5.863 -8.434 1.00 0.00 O ATOM 1266 CB ARG A 90 -5.992 -3.463 -8.934 1.00 0.00 C ATOM 1267 CG ARG A 90 -5.455 -3.883 -10.305 1.00 0.00 C ATOM 1268 CD ARG A 90 -6.458 -3.549 -11.411 1.00 0.00 C ATOM 1269 NE ARG A 90 -5.954 -4.037 -12.715 1.00 0.00 N ATOM 1270 CZ ARG A 90 -6.728 -4.242 -13.789 1.00 0.00 C ATOM 1271 NH1 ARG A 90 -8.045 -4.005 -13.723 1.00 0.00 N ATOM 1272 NH2 ARG A 90 -6.184 -4.686 -14.931 1.00 0.00 N ATOM 0 H ARG A 90 -3.034 -3.646 -8.756 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.260 -3.138 -6.943 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.869 -4.060 -8.684 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.314 -2.422 -8.968 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.510 -3.376 -10.501 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.249 -4.953 -10.307 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.422 -4.007 -11.190 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.619 -2.472 -11.454 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.956 -4.229 -12.801 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.460 -3.668 -12.854 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.633 -4.162 -14.542 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.182 -4.867 -14.982 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.773 -4.842 -15.749 1.00 0.00 H new ATOM 1283 N VAL A 91 -5.110 -5.531 -6.374 1.00 0.00 N ATOM 1284 CA VAL A 91 -4.981 -6.922 -5.973 1.00 0.00 C ATOM 1285 C VAL A 91 -6.341 -7.612 -6.091 1.00 0.00 C ATOM 1286 O VAL A 91 -7.348 -7.093 -5.612 1.00 0.00 O ATOM 1287 CB VAL A 91 -4.388 -7.008 -4.566 1.00 0.00 C ATOM 1288 CG1 VAL A 91 -4.324 -8.459 -4.085 1.00 0.00 C ATOM 1289 CG2 VAL A 91 -3.006 -6.351 -4.512 1.00 0.00 C ATOM 0 H VAL A 91 -5.512 -4.918 -5.664 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.292 -7.447 -6.635 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.046 -6.460 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.898 -8.491 -3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.329 -8.881 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.699 -9.040 -4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.607 -6.426 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.335 -6.858 -5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.091 -5.301 -4.792 1.00 0.00 H new ATOM 1299 N PHE A 92 -6.328 -8.771 -6.732 1.00 0.00 N ATOM 1300 CA PHE A 92 -7.548 -9.537 -6.920 1.00 0.00 C ATOM 1301 C PHE A 92 -7.563 -10.773 -6.017 1.00 0.00 C ATOM 1302 O PHE A 92 -6.607 -11.024 -5.286 1.00 0.00 O ATOM 1303 CB PHE A 92 -7.573 -9.987 -8.381 1.00 0.00 C ATOM 1304 CG PHE A 92 -7.389 -8.849 -9.387 1.00 0.00 C ATOM 1305 CD1 PHE A 92 -6.149 -8.345 -9.625 1.00 0.00 C ATOM 1306 CD2 PHE A 92 -8.466 -8.340 -10.043 1.00 0.00 C ATOM 1307 CE1 PHE A 92 -5.978 -7.288 -10.557 1.00 0.00 C ATOM 1308 CE2 PHE A 92 -8.296 -7.283 -10.976 1.00 0.00 C ATOM 1309 CZ PHE A 92 -7.055 -6.780 -11.214 1.00 0.00 C ATOM 0 H PHE A 92 -5.491 -9.199 -7.128 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.414 -8.925 -6.668 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.787 -10.726 -8.536 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.522 -10.485 -8.581 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.293 -8.749 -9.105 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.451 -8.740 -9.854 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.993 -6.887 -10.744 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.152 -6.879 -11.496 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.925 -5.977 -11.925 1.00 0.00 H new ATOM 1318 N SER A 93 -8.660 -11.511 -6.099 1.00 0.00 N ATOM 1319 CA SER A 93 -8.813 -12.715 -5.299 1.00 0.00 C ATOM 1320 C SER A 93 -8.796 -13.949 -6.203 1.00 0.00 C ATOM 1321 O SER A 93 -9.708 -14.148 -7.004 1.00 0.00 O ATOM 1322 CB SER A 93 -10.106 -12.672 -4.482 1.00 0.00 C ATOM 1323 OG SER A 93 -10.135 -11.564 -3.586 1.00 0.00 O ATOM 0 H SER A 93 -9.451 -11.299 -6.707 1.00 0.00 H new ATOM 0 HA SER A 93 -7.977 -12.772 -4.602 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.960 -12.615 -5.157 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.209 -13.598 -3.917 1.00 0.00 H new ATOM 0 HG SER A 93 -11.058 -11.394 -3.305 1.00 0.00 H new ATOM 1328 N GLU A 94 -7.751 -14.747 -6.042 1.00 0.00 N ATOM 1329 CA GLU A 94 -7.603 -15.956 -6.833 1.00 0.00 C ATOM 1330 C GLU A 94 -8.408 -17.099 -6.211 1.00 0.00 C ATOM 1331 O GLU A 94 -8.735 -17.060 -5.026 1.00 0.00 O ATOM 1332 CB GLU A 94 -6.129 -16.340 -6.979 1.00 0.00 C ATOM 1333 CG GLU A 94 -5.698 -16.309 -8.447 1.00 0.00 C ATOM 1334 CD GLU A 94 -5.879 -17.681 -9.100 1.00 0.00 C ATOM 1335 OE1 GLU A 94 -5.677 -18.683 -8.381 1.00 0.00 O ATOM 1336 OE2 GLU A 94 -6.216 -17.696 -10.304 1.00 0.00 O ATOM 0 H GLU A 94 -6.998 -14.579 -5.375 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.994 -15.763 -7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.511 -15.653 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.967 -17.337 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.284 -15.565 -8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.654 -16.004 -8.517 1.00 0.00 H new ATOM 1341 N ASN A 95 -8.706 -18.090 -7.039 1.00 0.00 N ATOM 1342 CA ASN A 95 -9.466 -19.241 -6.584 1.00 0.00 C ATOM 1343 C ASN A 95 -9.956 -20.035 -7.797 1.00 0.00 C ATOM 1344 O ASN A 95 -10.178 -19.468 -8.866 1.00 0.00 O ATOM 1345 CB ASN A 95 -10.692 -18.809 -5.777 1.00 0.00 C ATOM 1346 CG ASN A 95 -10.494 -19.090 -4.286 1.00 0.00 C ATOM 1347 OD1 ASN A 95 -9.403 -19.373 -3.820 1.00 0.00 O ATOM 1348 ND2 ASN A 95 -11.607 -18.996 -3.565 1.00 0.00 N ATOM 0 H ASN A 95 -8.435 -18.119 -8.022 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.814 -19.847 -5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.875 -17.745 -5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.574 -19.339 -6.137 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -11.579 -19.165 -2.559 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.489 -18.755 -4.017 1.00 0.00 H new ATOM 1354 N MET A 96 -10.109 -21.334 -7.591 1.00 0.00 N ATOM 1355 CA MET A 96 -10.569 -22.212 -8.655 1.00 0.00 C ATOM 1356 C MET A 96 -11.707 -21.565 -9.446 1.00 0.00 C ATOM 1357 O MET A 96 -11.884 -21.847 -10.630 1.00 0.00 O ATOM 1358 CB MET A 96 -11.052 -23.534 -8.054 1.00 0.00 C ATOM 1359 CG MET A 96 -12.233 -23.307 -7.109 1.00 0.00 C ATOM 1360 SD MET A 96 -12.686 -24.843 -6.319 1.00 0.00 S ATOM 1361 CE MET A 96 -11.364 -24.980 -5.127 1.00 0.00 C ATOM 0 H MET A 96 -9.923 -21.801 -6.703 1.00 0.00 H new ATOM 0 HA MET A 96 -9.737 -22.394 -9.335 1.00 0.00 H new ATOM 0 HB2 MET A 96 -11.346 -24.215 -8.853 1.00 0.00 H new ATOM 0 HB3 MET A 96 -10.235 -24.012 -7.513 1.00 0.00 H new ATOM 0 HG2 MET A 96 -11.969 -22.565 -6.356 1.00 0.00 H new ATOM 0 HG3 MET A 96 -13.083 -22.910 -7.664 1.00 0.00 H new ATOM 0 HE1 MET A 96 -10.806 -25.899 -5.307 1.00 0.00 H new ATOM 0 HE2 MET A 96 -10.696 -24.124 -5.225 1.00 0.00 H new ATOM 0 HE3 MET A 96 -11.782 -25.001 -4.121 1.00 0.00 H new ATOM 1369 N CYS A 97 -12.450 -20.709 -8.760 1.00 0.00 N ATOM 1370 CA CYS A 97 -13.567 -20.020 -9.383 1.00 0.00 C ATOM 1371 C CYS A 97 -13.021 -19.145 -10.513 1.00 0.00 C ATOM 1372 O CYS A 97 -13.230 -19.439 -11.689 1.00 0.00 O ATOM 1373 CB CYS A 97 -14.369 -19.205 -8.366 1.00 0.00 C ATOM 1374 SG CYS A 97 -16.158 -19.526 -8.577 1.00 0.00 S ATOM 0 H CYS A 97 -12.300 -20.477 -7.778 1.00 0.00 H new ATOM 0 HA CYS A 97 -14.264 -20.750 -9.794 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.061 -19.467 -7.354 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -14.164 -18.142 -8.496 1.00 0.00 H new ATOM 0 HG CYS A 97 -16.829 -18.831 -7.707 1.00 0.00 H new ATOM 1379 N GLY A 98 -12.330 -18.085 -10.116 1.00 0.00 N ATOM 1380 CA GLY A 98 -11.752 -17.164 -11.080 1.00 0.00 C ATOM 1381 C GLY A 98 -11.502 -15.794 -10.448 1.00 0.00 C ATOM 1382 O GLY A 98 -12.185 -15.410 -9.501 1.00 0.00 O ATOM 0 H GLY A 98 -12.158 -17.844 -9.140 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.814 -17.570 -11.459 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.422 -17.058 -11.934 1.00 0.00 H new ATOM 1386 N LEU A 99 -10.522 -15.093 -10.999 1.00 0.00 N ATOM 1387 CA LEU A 99 -10.174 -13.773 -10.501 1.00 0.00 C ATOM 1388 C LEU A 99 -11.438 -12.916 -10.413 1.00 0.00 C ATOM 1389 O LEU A 99 -12.329 -13.031 -11.253 1.00 0.00 O ATOM 1390 CB LEU A 99 -9.068 -13.153 -11.357 1.00 0.00 C ATOM 1391 CG LEU A 99 -7.633 -13.492 -10.948 1.00 0.00 C ATOM 1392 CD1 LEU A 99 -7.394 -13.178 -9.471 1.00 0.00 C ATOM 1393 CD2 LEU A 99 -7.297 -14.946 -11.288 1.00 0.00 C ATOM 0 H LEU A 99 -9.958 -15.414 -11.786 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.765 -13.841 -9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.215 -13.470 -12.390 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.184 -12.069 -11.336 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.955 -12.861 -11.523 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.366 -13.428 -9.207 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.566 -12.117 -9.292 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.079 -13.765 -8.859 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.272 -15.162 -10.988 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.979 -15.611 -10.757 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.401 -15.102 -12.362 1.00 0.00 H new ATOM 1404 N SER A 100 -11.476 -12.077 -9.388 1.00 0.00 N ATOM 1405 CA SER A 100 -12.617 -11.201 -9.180 1.00 0.00 C ATOM 1406 C SER A 100 -12.607 -10.074 -10.215 1.00 0.00 C ATOM 1407 O SER A 100 -11.574 -9.449 -10.446 1.00 0.00 O ATOM 1408 CB SER A 100 -12.615 -10.622 -7.764 1.00 0.00 C ATOM 1409 OG SER A 100 -11.321 -10.163 -7.376 1.00 0.00 O ATOM 0 H SER A 100 -10.735 -11.985 -8.693 1.00 0.00 H new ATOM 0 HA SER A 100 -13.527 -11.789 -9.302 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.324 -9.796 -7.709 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.956 -11.382 -7.061 1.00 0.00 H new ATOM 0 HG SER A 100 -11.312 -9.183 -7.362 1.00 0.00 H new ATOM 1414 N GLU A 101 -13.770 -9.849 -10.809 1.00 0.00 N ATOM 1415 CA GLU A 101 -13.908 -8.810 -11.813 1.00 0.00 C ATOM 1416 C GLU A 101 -13.506 -7.452 -11.231 1.00 0.00 C ATOM 1417 O GLU A 101 -12.840 -6.661 -11.896 1.00 0.00 O ATOM 1418 CB GLU A 101 -15.333 -8.767 -12.367 1.00 0.00 C ATOM 1419 CG GLU A 101 -15.380 -9.292 -13.804 1.00 0.00 C ATOM 1420 CD GLU A 101 -16.139 -8.326 -14.716 1.00 0.00 C ATOM 1421 OE1 GLU A 101 -17.221 -7.871 -14.285 1.00 0.00 O ATOM 1422 OE2 GLU A 101 -15.620 -8.065 -15.822 1.00 0.00 O ATOM 0 H GLU A 101 -14.625 -10.369 -10.613 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.238 -9.042 -12.641 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -15.990 -9.365 -11.736 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -15.708 -7.744 -12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.365 -9.430 -14.178 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.862 -10.270 -13.822 1.00 0.00 H new ATOM 1427 N ASP A 102 -13.927 -7.226 -9.995 1.00 0.00 N ATOM 1428 CA ASP A 102 -13.619 -5.979 -9.316 1.00 0.00 C ATOM 1429 C ASP A 102 -12.423 -6.192 -8.387 1.00 0.00 C ATOM 1430 O ASP A 102 -12.310 -7.234 -7.743 1.00 0.00 O ATOM 1431 CB ASP A 102 -14.801 -5.509 -8.467 1.00 0.00 C ATOM 1432 CG ASP A 102 -16.178 -5.923 -8.988 1.00 0.00 C ATOM 1433 OD1 ASP A 102 -16.594 -5.344 -10.015 1.00 0.00 O ATOM 1434 OD2 ASP A 102 -16.785 -6.809 -8.348 1.00 0.00 O ATOM 0 H ASP A 102 -14.479 -7.885 -9.446 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.398 -5.227 -10.073 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -14.680 -5.898 -7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.768 -4.422 -8.396 1.00 0.00 H new ATOM 1438 N ALA A 103 -11.560 -5.187 -8.344 1.00 0.00 N ATOM 1439 CA ALA A 103 -10.376 -5.251 -7.504 1.00 0.00 C ATOM 1440 C ALA A 103 -10.278 -3.971 -6.673 1.00 0.00 C ATOM 1441 O ALA A 103 -10.700 -2.905 -7.116 1.00 0.00 O ATOM 1442 CB ALA A 103 -9.141 -5.476 -8.378 1.00 0.00 C ATOM 0 H ALA A 103 -11.657 -4.323 -8.878 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.441 -6.090 -6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.253 -5.524 -7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.248 -6.412 -8.925 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.040 -4.652 -9.085 1.00 0.00 H new ATOM 1448 N THR A 104 -9.716 -4.119 -5.481 1.00 0.00 N ATOM 1449 CA THR A 104 -9.556 -2.987 -4.584 1.00 0.00 C ATOM 1450 C THR A 104 -8.302 -2.191 -4.950 1.00 0.00 C ATOM 1451 O THR A 104 -7.191 -2.572 -4.585 1.00 0.00 O ATOM 1452 CB THR A 104 -9.540 -3.520 -3.150 1.00 0.00 C ATOM 1453 OG1 THR A 104 -10.869 -3.988 -2.939 1.00 0.00 O ATOM 1454 CG2 THR A 104 -9.367 -2.408 -2.113 1.00 0.00 C ATOM 0 H THR A 104 -9.366 -5.005 -5.116 1.00 0.00 H new ATOM 0 HA THR A 104 -10.386 -2.287 -4.677 1.00 0.00 H new ATOM 0 HB THR A 104 -8.734 -4.245 -3.042 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.896 -4.543 -2.132 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.362 -2.841 -1.113 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.424 -1.890 -2.289 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.191 -1.700 -2.198 1.00 0.00 H new ATOM 1462 N MET A 105 -8.522 -1.098 -5.666 1.00 0.00 N ATOM 1463 CA MET A 105 -7.424 -0.243 -6.085 1.00 0.00 C ATOM 1464 C MET A 105 -7.024 0.723 -4.967 1.00 0.00 C ATOM 1465 O MET A 105 -7.840 1.057 -4.109 1.00 0.00 O ATOM 1466 CB MET A 105 -7.840 0.553 -7.323 1.00 0.00 C ATOM 1467 CG MET A 105 -6.653 0.767 -8.263 1.00 0.00 C ATOM 1468 SD MET A 105 -7.234 1.101 -9.917 1.00 0.00 S ATOM 1469 CE MET A 105 -6.825 2.834 -10.045 1.00 0.00 C ATOM 0 H MET A 105 -9.445 -0.785 -5.967 1.00 0.00 H new ATOM 0 HA MET A 105 -6.566 -0.874 -6.319 1.00 0.00 H new ATOM 0 HB2 MET A 105 -8.634 0.024 -7.850 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.246 1.518 -7.019 1.00 0.00 H new ATOM 0 HG2 MET A 105 -6.043 1.598 -7.908 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.016 -0.118 -8.264 1.00 0.00 H new ATOM 0 HE1 MET A 105 -7.742 3.422 -10.081 1.00 0.00 H new ATOM 0 HE2 MET A 105 -6.235 3.134 -9.179 1.00 0.00 H new ATOM 0 HE3 MET A 105 -6.248 3.005 -10.954 1.00 0.00 H new ATOM 1477 N THR A 106 -5.769 1.143 -5.014 1.00 0.00 N ATOM 1478 CA THR A 106 -5.250 2.063 -4.017 1.00 0.00 C ATOM 1479 C THR A 106 -5.917 3.433 -4.157 1.00 0.00 C ATOM 1480 O THR A 106 -5.902 4.027 -5.234 1.00 0.00 O ATOM 1481 CB THR A 106 -3.728 2.110 -4.163 1.00 0.00 C ATOM 1482 OG1 THR A 106 -3.520 2.398 -5.543 1.00 0.00 O ATOM 1483 CG2 THR A 106 -3.078 0.739 -3.967 1.00 0.00 C ATOM 0 H THR A 106 -5.096 0.863 -5.727 1.00 0.00 H new ATOM 0 HA THR A 106 -5.483 1.725 -3.007 1.00 0.00 H new ATOM 0 HB THR A 106 -3.316 2.814 -3.440 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.923 3.264 -5.761 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.998 0.829 -4.081 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.308 0.367 -2.969 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.465 0.043 -4.711 1.00 0.00 H new ATOM 1491 N LYS A 107 -6.486 3.895 -3.053 1.00 0.00 N ATOM 1492 CA LYS A 107 -7.156 5.184 -3.040 1.00 0.00 C ATOM 1493 C LYS A 107 -6.337 6.189 -3.849 1.00 0.00 C ATOM 1494 O LYS A 107 -6.891 7.115 -4.440 1.00 0.00 O ATOM 1495 CB LYS A 107 -7.432 5.629 -1.602 1.00 0.00 C ATOM 1496 CG LYS A 107 -8.934 5.753 -1.344 1.00 0.00 C ATOM 1497 CD LYS A 107 -9.373 7.219 -1.345 1.00 0.00 C ATOM 1498 CE LYS A 107 -10.881 7.340 -1.122 1.00 0.00 C ATOM 1499 NZ LYS A 107 -11.171 8.371 -0.100 1.00 0.00 N ATOM 0 H LYS A 107 -6.497 3.400 -2.161 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.132 5.111 -3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.998 4.911 -0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.947 6.587 -1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.484 5.205 -2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.181 5.297 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.842 7.762 -0.563 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.104 7.682 -2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.374 7.599 -2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.286 6.379 -0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.199 8.441 0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.716 8.108 0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.802 9.289 -0.419 1.00 0.00 H new ATOM 1509 N GLU A 108 -5.029 5.973 -3.852 1.00 0.00 N ATOM 1510 CA GLU A 108 -4.126 6.849 -4.579 1.00 0.00 C ATOM 1511 C GLU A 108 -3.179 6.027 -5.455 1.00 0.00 C ATOM 1512 O GLU A 108 -3.301 4.805 -5.529 1.00 0.00 O ATOM 1513 CB GLU A 108 -3.345 7.749 -3.621 1.00 0.00 C ATOM 1514 CG GLU A 108 -4.223 8.889 -3.099 1.00 0.00 C ATOM 1515 CD GLU A 108 -3.620 9.513 -1.839 1.00 0.00 C ATOM 1516 OE1 GLU A 108 -3.702 8.850 -0.783 1.00 0.00 O ATOM 1517 OE2 GLU A 108 -3.090 10.638 -1.960 1.00 0.00 O ATOM 0 H GLU A 108 -4.573 5.203 -3.362 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.720 7.494 -5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.974 7.159 -2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.474 8.161 -4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.332 9.651 -3.870 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.222 8.512 -2.880 1.00 0.00 H new ATOM 1522 N SER A 109 -2.257 6.730 -6.096 1.00 0.00 N ATOM 1523 CA SER A 109 -1.290 6.080 -6.963 1.00 0.00 C ATOM 1524 C SER A 109 0.108 6.167 -6.347 1.00 0.00 C ATOM 1525 O SER A 109 0.332 6.940 -5.417 1.00 0.00 O ATOM 1526 CB SER A 109 -1.295 6.705 -8.360 1.00 0.00 C ATOM 1527 OG SER A 109 -1.257 8.129 -8.307 1.00 0.00 O ATOM 0 H SER A 109 -2.159 7.743 -6.032 1.00 0.00 H new ATOM 0 HA SER A 109 -1.571 5.032 -7.063 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.436 6.340 -8.924 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.188 6.386 -8.897 1.00 0.00 H new ATOM 0 HG SER A 109 -1.260 8.490 -9.218 1.00 0.00 H new ATOM 1532 N ALA A 110 1.010 5.363 -6.890 1.00 0.00 N ATOM 1533 CA ALA A 110 2.380 5.341 -6.405 1.00 0.00 C ATOM 1534 C ALA A 110 3.259 6.184 -7.331 1.00 0.00 C ATOM 1535 O ALA A 110 3.390 5.878 -8.515 1.00 0.00 O ATOM 1536 CB ALA A 110 2.862 3.892 -6.304 1.00 0.00 C ATOM 0 H ALA A 110 0.820 4.722 -7.661 1.00 0.00 H new ATOM 0 HA ALA A 110 2.441 5.776 -5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.889 3.875 -5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.223 3.343 -5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.817 3.424 -7.288 1.00 0.00 H new ATOM 1542 N VAL A 111 3.838 7.228 -6.757 1.00 0.00 N ATOM 1543 CA VAL A 111 4.700 8.117 -7.517 1.00 0.00 C ATOM 1544 C VAL A 111 6.133 7.584 -7.480 1.00 0.00 C ATOM 1545 O VAL A 111 6.684 7.348 -6.406 1.00 0.00 O ATOM 1546 CB VAL A 111 4.580 9.545 -6.981 1.00 0.00 C ATOM 1547 CG1 VAL A 111 5.688 10.436 -7.545 1.00 0.00 C ATOM 1548 CG2 VAL A 111 3.199 10.130 -7.285 1.00 0.00 C ATOM 0 H VAL A 111 3.727 7.478 -5.774 1.00 0.00 H new ATOM 0 HA VAL A 111 4.391 8.148 -8.562 1.00 0.00 H new ATOM 0 HB VAL A 111 4.698 9.508 -5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.580 11.446 -7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.660 10.035 -7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.615 10.463 -8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.140 11.146 -6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.040 10.147 -8.363 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.432 9.515 -6.815 1.00 0.00 H new ATOM 1558 N ILE A 112 6.696 7.410 -8.667 1.00 0.00 N ATOM 1559 CA ILE A 112 8.055 6.909 -8.784 1.00 0.00 C ATOM 1560 C ILE A 112 9.029 8.089 -8.811 1.00 0.00 C ATOM 1561 O ILE A 112 8.857 9.022 -9.595 1.00 0.00 O ATOM 1562 CB ILE A 112 8.182 5.980 -9.992 1.00 0.00 C ATOM 1563 CG1 ILE A 112 7.105 4.893 -9.963 1.00 0.00 C ATOM 1564 CG2 ILE A 112 9.590 5.389 -10.085 1.00 0.00 C ATOM 1565 CD1 ILE A 112 7.043 4.219 -8.592 1.00 0.00 C ATOM 0 H ILE A 112 6.236 7.607 -9.556 1.00 0.00 H new ATOM 0 HA ILE A 112 8.313 6.302 -7.916 1.00 0.00 H new ATOM 0 HB ILE A 112 8.021 6.570 -10.894 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.135 5.330 -10.201 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.315 4.147 -10.730 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.652 4.732 -10.953 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.317 6.195 -10.187 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.805 4.818 -9.182 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.270 3.451 -8.599 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.007 3.762 -8.367 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.808 4.963 -7.831 1.00 0.00 H new ATOM 1576 N ALA A 113 10.030 8.010 -7.947 1.00 0.00 N ATOM 1577 CA ALA A 113 11.031 9.060 -7.862 1.00 0.00 C ATOM 1578 C ALA A 113 12.218 8.561 -7.038 1.00 0.00 C ATOM 1579 O ALA A 113 12.053 7.737 -6.140 1.00 0.00 O ATOM 1580 CB ALA A 113 10.399 10.321 -7.271 1.00 0.00 C ATOM 0 H ALA A 113 10.170 7.235 -7.299 1.00 0.00 H new ATOM 0 HA ALA A 113 11.403 9.317 -8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.150 11.109 -7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.580 10.651 -7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.016 10.103 -6.274 1.00 0.00 H new