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 62 MET CE :methyl 146:sc= -0.234 (180deg=-1.05) USER MOD Set 1.2: A 105 MET CE :methyl -167:sc= -0.261 (180deg=-0.701) USER MOD Set 2.1: A 55 GLN : amide:sc= -0.0266 K(o=0.025,f=-3.4!) USER MOD Set 2.2: A 66 THR OG1 : rot 89:sc= 0.0513 USER MOD Single : A 22 GLN : amide:sc= -1.28! C(o=-1.3!,f=-2.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0866 F(o=-0.67,f=-0.087) USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.193 USER MOD Single : A 39 THR OG1 : rot 178:sc= -3.08! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.974 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -124:sc= -0.555 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 70 HIS :FLIP no HD1:sc= -3.87! C(o=-5.5!,f=-3.9!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-4.3!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00147 USER MOD Single : A 85 ASN :FLIP amide:sc= -2.88! C(o=-3.8!,f=-2.9!) USER MOD Single : A 87 TYR OH : rot 63:sc= -5.84! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 153:sc= 0.988 USER MOD Single : A 95 ASN : amide:sc= -6.22! C(o=-6.2!,f=-14!) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -126:sc= 0.653 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 43:sc= 0.602 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 40:sc= 0.915 USER MOD ----------------------------------------------------------------- ATOM 223 N GLY A 19 -14.379 -12.624 -3.615 1.00 0.00 N ATOM 224 CA GLY A 19 -14.460 -11.198 -3.880 1.00 0.00 C ATOM 225 C GLY A 19 -13.077 -10.548 -3.814 1.00 0.00 C ATOM 226 O GLY A 19 -12.066 -11.240 -3.710 1.00 0.00 O ATOM 0 HA2 GLY A 19 -14.897 -11.032 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.122 -10.727 -3.154 1.00 0.00 H new ATOM 230 N PRO A 20 -13.076 -9.189 -3.881 1.00 0.00 N ATOM 231 CA PRO A 20 -11.833 -8.438 -3.831 1.00 0.00 C ATOM 232 C PRO A 20 -11.271 -8.403 -2.409 1.00 0.00 C ATOM 233 O PRO A 20 -11.917 -8.867 -1.470 1.00 0.00 O ATOM 234 CB PRO A 20 -12.185 -7.059 -4.365 1.00 0.00 C ATOM 235 CG PRO A 20 -13.697 -6.944 -4.258 1.00 0.00 C ATOM 236 CD PRO A 20 -14.254 -8.335 -4.006 1.00 0.00 C ATOM 0 HA PRO A 20 -11.043 -8.892 -4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.692 -6.278 -3.786 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.857 -6.945 -5.398 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.972 -6.270 -3.447 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.114 -6.526 -5.174 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.860 -8.361 -3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.894 -8.660 -4.827 1.00 0.00 H new ATOM 241 N PRO A 21 -10.042 -7.833 -2.290 1.00 0.00 N ATOM 242 CA PRO A 21 -9.386 -7.731 -0.998 1.00 0.00 C ATOM 243 C PRO A 21 -10.017 -6.628 -0.148 1.00 0.00 C ATOM 244 O PRO A 21 -10.742 -5.779 -0.664 1.00 0.00 O ATOM 245 CB PRO A 21 -7.922 -7.470 -1.320 1.00 0.00 C ATOM 246 CG PRO A 21 -7.893 -6.974 -2.756 1.00 0.00 C ATOM 247 CD PRO A 21 -9.247 -7.272 -3.380 1.00 0.00 C ATOM 0 HA PRO A 21 -9.494 -8.635 -0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.499 -6.728 -0.642 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.330 -8.378 -1.208 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.686 -5.904 -2.786 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.098 -7.468 -3.315 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.706 -6.368 -3.780 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.156 -7.976 -4.207 1.00 0.00 H new ATOM 252 N GLN A 22 -9.719 -6.674 1.142 1.00 0.00 N ATOM 253 CA GLN A 22 -10.248 -5.689 2.069 1.00 0.00 C ATOM 254 C GLN A 22 -9.790 -4.285 1.670 1.00 0.00 C ATOM 255 O GLN A 22 -10.615 -3.399 1.448 1.00 0.00 O ATOM 256 CB GLN A 22 -9.835 -6.011 3.507 1.00 0.00 C ATOM 257 CG GLN A 22 -10.880 -6.896 4.191 1.00 0.00 C ATOM 258 CD GLN A 22 -10.654 -6.941 5.704 1.00 0.00 C ATOM 259 OE1 GLN A 22 -11.346 -6.302 6.480 1.00 0.00 O ATOM 260 NE2 GLN A 22 -9.649 -7.729 6.079 1.00 0.00 N ATOM 0 H GLN A 22 -9.117 -7.379 1.567 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.336 -5.723 2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.869 -6.516 3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.712 -5.086 4.070 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.879 -6.515 3.980 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.831 -7.905 3.782 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.110 -8.236 5.378 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.418 -7.826 7.068 1.00 0.00 H new ATOM 267 N ILE A 23 -8.477 -4.125 1.590 1.00 0.00 N ATOM 268 CA ILE A 23 -7.901 -2.844 1.221 1.00 0.00 C ATOM 269 C ILE A 23 -6.546 -3.074 0.548 1.00 0.00 C ATOM 270 O ILE A 23 -5.927 -4.121 0.732 1.00 0.00 O ATOM 271 CB ILE A 23 -7.834 -1.916 2.436 1.00 0.00 C ATOM 272 CG1 ILE A 23 -8.008 -0.454 2.020 1.00 0.00 C ATOM 273 CG2 ILE A 23 -6.541 -2.137 3.224 1.00 0.00 C ATOM 274 CD1 ILE A 23 -7.418 0.489 3.071 1.00 0.00 C ATOM 0 H ILE A 23 -7.796 -4.862 1.775 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.536 -2.336 0.495 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.662 -2.163 3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.521 -0.285 1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.067 -0.235 1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.519 -1.465 4.082 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.498 -3.170 3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.684 -1.934 2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.555 1.522 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.924 0.334 4.024 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.354 0.283 3.188 1.00 0.00 H new ATOM 285 N VAL A 24 -6.125 -2.079 -0.219 1.00 0.00 N ATOM 286 CA VAL A 24 -4.856 -2.159 -0.921 1.00 0.00 C ATOM 287 C VAL A 24 -4.139 -0.811 -0.827 1.00 0.00 C ATOM 288 O VAL A 24 -4.622 0.190 -1.355 1.00 0.00 O ATOM 289 CB VAL A 24 -5.083 -2.617 -2.363 1.00 0.00 C ATOM 290 CG1 VAL A 24 -3.752 -2.843 -3.083 1.00 0.00 C ATOM 291 CG2 VAL A 24 -5.950 -3.876 -2.408 1.00 0.00 C ATOM 0 H VAL A 24 -6.641 -1.212 -0.370 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.209 -2.903 -0.456 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.616 -1.823 -2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.942 -3.168 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.184 -1.913 -3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.181 -3.609 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.096 -4.180 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.455 -4.678 -1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.918 -3.668 -1.951 1.00 0.00 H new ATOM 301 N LYS A 25 -2.998 -0.828 -0.153 1.00 0.00 N ATOM 302 CA LYS A 25 -2.211 0.382 0.015 1.00 0.00 C ATOM 303 C LYS A 25 -0.774 0.117 -0.439 1.00 0.00 C ATOM 304 O LYS A 25 -0.424 -1.013 -0.774 1.00 0.00 O ATOM 305 CB LYS A 25 -2.317 0.893 1.454 1.00 0.00 C ATOM 306 CG LYS A 25 -2.005 -0.219 2.456 1.00 0.00 C ATOM 307 CD LYS A 25 -1.140 0.304 3.604 1.00 0.00 C ATOM 308 CE LYS A 25 -1.848 0.127 4.949 1.00 0.00 C ATOM 309 NZ LYS A 25 -2.080 1.441 5.589 1.00 0.00 N ATOM 0 H LYS A 25 -2.600 -1.660 0.283 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.602 1.182 -0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.626 1.723 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.321 1.278 1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.935 -0.627 2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.489 -1.035 1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.188 -0.227 3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.915 1.358 3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.799 -0.385 4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.245 -0.502 5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.561 1.303 6.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.168 1.916 5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.674 2.029 4.970 1.00 0.00 H new ATOM 319 N ILE A 26 0.018 1.179 -0.435 1.00 0.00 N ATOM 320 CA ILE A 26 1.409 1.075 -0.843 1.00 0.00 C ATOM 321 C ILE A 26 2.311 1.362 0.359 1.00 0.00 C ATOM 322 O ILE A 26 2.424 2.507 0.796 1.00 0.00 O ATOM 323 CB ILE A 26 1.684 1.978 -2.047 1.00 0.00 C ATOM 324 CG1 ILE A 26 0.434 2.126 -2.917 1.00 0.00 C ATOM 325 CG2 ILE A 26 2.885 1.474 -2.849 1.00 0.00 C ATOM 326 CD1 ILE A 26 0.340 0.990 -3.939 1.00 0.00 C ATOM 0 H ILE A 26 -0.276 2.115 -0.156 1.00 0.00 H new ATOM 0 HA ILE A 26 1.633 0.062 -1.176 1.00 0.00 H new ATOM 0 HB ILE A 26 1.939 2.971 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.455 2.127 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.458 3.085 -3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.058 2.134 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.769 1.463 -2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.685 0.465 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.557 1.119 -4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.219 1.007 -4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.291 0.034 -3.417 1.00 0.00 H new ATOM 337 N GLU A 27 2.931 0.303 0.860 1.00 0.00 N ATOM 338 CA GLU A 27 3.819 0.427 2.004 1.00 0.00 C ATOM 339 C GLU A 27 4.745 1.631 1.828 1.00 0.00 C ATOM 340 O GLU A 27 4.895 2.443 2.739 1.00 0.00 O ATOM 341 CB GLU A 27 4.623 -0.857 2.214 1.00 0.00 C ATOM 342 CG GLU A 27 4.507 -1.345 3.660 1.00 0.00 C ATOM 343 CD GLU A 27 5.838 -1.917 4.153 1.00 0.00 C ATOM 344 OE1 GLU A 27 6.427 -2.719 3.398 1.00 0.00 O ATOM 345 OE2 GLU A 27 6.237 -1.537 5.276 1.00 0.00 O ATOM 0 H GLU A 27 2.836 -0.645 0.495 1.00 0.00 H new ATOM 0 HA GLU A 27 3.213 0.587 2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.264 -1.631 1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.670 -0.679 1.969 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.201 -0.520 4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.731 -2.107 3.729 1.00 0.00 H new ATOM 350 N ASP A 28 5.343 1.711 0.647 1.00 0.00 N ATOM 351 CA ASP A 28 6.251 2.803 0.340 1.00 0.00 C ATOM 352 C ASP A 28 6.816 2.611 -1.069 1.00 0.00 C ATOM 353 O ASP A 28 6.509 1.622 -1.734 1.00 0.00 O ATOM 354 CB ASP A 28 7.426 2.835 1.319 1.00 0.00 C ATOM 355 CG ASP A 28 7.841 4.231 1.786 1.00 0.00 C ATOM 356 OD1 ASP A 28 7.928 5.120 0.911 1.00 0.00 O ATOM 357 OD2 ASP A 28 8.063 4.379 3.007 1.00 0.00 O ATOM 0 H ASP A 28 5.216 1.037 -0.108 1.00 0.00 H new ATOM 0 HA ASP A 28 5.693 3.736 0.416 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.167 2.238 2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.284 2.356 0.849 1.00 0.00 H new ATOM 361 N VAL A 29 7.629 3.570 -1.482 1.00 0.00 N ATOM 362 CA VAL A 29 8.239 3.519 -2.800 1.00 0.00 C ATOM 363 C VAL A 29 9.641 4.125 -2.733 1.00 0.00 C ATOM 364 O VAL A 29 9.805 5.278 -2.333 1.00 0.00 O ATOM 365 CB VAL A 29 7.336 4.213 -3.822 1.00 0.00 C ATOM 366 CG1 VAL A 29 6.761 5.512 -3.253 1.00 0.00 C ATOM 367 CG2 VAL A 29 8.085 4.471 -5.130 1.00 0.00 C ATOM 0 H VAL A 29 7.880 4.388 -0.927 1.00 0.00 H new ATOM 0 HA VAL A 29 8.347 2.486 -3.130 1.00 0.00 H new ATOM 0 HB VAL A 29 6.502 3.545 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.123 5.985 -3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.174 5.290 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.576 6.187 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.420 4.965 -5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.947 5.109 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.422 3.523 -5.549 1.00 0.00 H new ATOM 377 N TRP A 30 10.619 3.323 -3.130 1.00 0.00 N ATOM 378 CA TRP A 30 12.002 3.767 -3.120 1.00 0.00 C ATOM 379 C TRP A 30 12.587 3.524 -4.512 1.00 0.00 C ATOM 380 O TRP A 30 12.442 2.436 -5.068 1.00 0.00 O ATOM 381 CB TRP A 30 12.792 3.073 -2.009 1.00 0.00 C ATOM 382 CG TRP A 30 12.813 1.547 -2.120 1.00 0.00 C ATOM 383 CD1 TRP A 30 13.803 0.766 -2.572 1.00 0.00 C ATOM 384 CD2 TRP A 30 11.749 0.644 -1.753 1.00 0.00 C ATOM 385 NE1 TRP A 30 13.457 -0.569 -2.523 1.00 0.00 N ATOM 386 CE2 TRP A 30 12.168 -0.645 -2.009 1.00 0.00 C ATOM 387 CE3 TRP A 30 10.475 0.908 -1.221 1.00 0.00 C ATOM 388 CZ2 TRP A 30 11.374 -1.773 -1.765 1.00 0.00 C ATOM 389 CZ3 TRP A 30 9.693 -0.229 -0.983 1.00 0.00 C ATOM 390 CH2 TRP A 30 10.100 -1.534 -1.236 1.00 0.00 C ATOM 0 H TRP A 30 10.480 2.368 -3.461 1.00 0.00 H new ATOM 0 HA TRP A 30 12.064 4.832 -2.899 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.818 3.442 -2.022 1.00 0.00 H new ATOM 0 HB3 TRP A 30 12.365 3.351 -1.045 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.753 1.135 -2.930 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.040 -1.355 -2.811 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.127 1.909 -1.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.726 -2.773 -1.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.704 -0.082 -0.574 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.436 -2.360 -1.025 1.00 0.00 H new ATOM 400 N GLY A 31 13.236 4.554 -5.034 1.00 0.00 N ATOM 401 CA GLY A 31 13.844 4.465 -6.351 1.00 0.00 C ATOM 402 C GLY A 31 12.885 3.825 -7.356 1.00 0.00 C ATOM 403 O GLY A 31 11.830 4.383 -7.656 1.00 0.00 O ATOM 0 H GLY A 31 13.354 5.454 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.124 5.461 -6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.761 3.878 -6.293 1.00 0.00 H new ATOM 407 N GLU A 32 13.284 2.661 -7.849 1.00 0.00 N ATOM 408 CA GLU A 32 12.473 1.938 -8.814 1.00 0.00 C ATOM 409 C GLU A 32 11.848 0.703 -8.162 1.00 0.00 C ATOM 410 O GLU A 32 11.668 -0.324 -8.816 1.00 0.00 O ATOM 411 CB GLU A 32 13.297 1.552 -10.043 1.00 0.00 C ATOM 412 CG GLU A 32 13.959 2.782 -10.668 1.00 0.00 C ATOM 413 CD GLU A 32 14.531 2.455 -12.049 1.00 0.00 C ATOM 414 OE1 GLU A 32 15.011 1.312 -12.208 1.00 0.00 O ATOM 415 OE2 GLU A 32 14.475 3.356 -12.914 1.00 0.00 O ATOM 0 H GLU A 32 14.159 2.201 -7.598 1.00 0.00 H new ATOM 0 HA GLU A 32 11.669 2.594 -9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.061 0.828 -9.760 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.655 1.067 -10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.230 3.588 -10.754 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.755 3.141 -10.016 1.00 0.00 H new ATOM 420 N ASN A 33 11.534 0.843 -6.883 1.00 0.00 N ATOM 421 CA ASN A 33 10.932 -0.249 -6.136 1.00 0.00 C ATOM 422 C ASN A 33 9.735 0.279 -5.343 1.00 0.00 C ATOM 423 O ASN A 33 9.845 1.285 -4.642 1.00 0.00 O ATOM 424 CB ASN A 33 11.929 -0.851 -5.143 1.00 0.00 C ATOM 425 CG ASN A 33 13.205 -1.305 -5.854 1.00 0.00 C ATOM 426 OD1 ASN A 33 14.036 -0.312 -6.160 1.00 0.00 O flip ATOM 427 ND2 ASN A 33 13.422 -2.479 -6.108 1.00 0.00 N flip ATOM 0 H ASN A 33 11.685 1.696 -6.344 1.00 0.00 H new ATOM 0 HA ASN A 33 10.624 -1.015 -6.848 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.177 -0.114 -4.379 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.472 -1.698 -4.632 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.741 -3.192 -5.845 1.00 0.00 H new ATOM 0 HD22 ASN A 33 14.284 -2.747 -6.583 1.00 0.00 H new ATOM 433 N VAL A 34 8.620 -0.423 -5.480 1.00 0.00 N ATOM 434 CA VAL A 34 7.404 -0.036 -4.785 1.00 0.00 C ATOM 435 C VAL A 34 6.994 -1.155 -3.824 1.00 0.00 C ATOM 436 O VAL A 34 7.251 -2.329 -4.086 1.00 0.00 O ATOM 437 CB VAL A 34 6.311 0.312 -5.797 1.00 0.00 C ATOM 438 CG1 VAL A 34 4.932 -0.106 -5.282 1.00 0.00 C ATOM 439 CG2 VAL A 34 6.339 1.803 -6.141 1.00 0.00 C ATOM 0 H VAL A 34 8.533 -1.257 -6.061 1.00 0.00 H new ATOM 0 HA VAL A 34 7.573 0.860 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 34 6.510 -0.248 -6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.174 0.153 -6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.919 -1.182 -5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.720 0.413 -4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.552 2.025 -6.862 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.177 2.388 -5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.308 2.059 -6.570 1.00 0.00 H new ATOM 449 N ALA A 35 6.363 -0.751 -2.731 1.00 0.00 N ATOM 450 CA ALA A 35 5.915 -1.704 -1.731 1.00 0.00 C ATOM 451 C ALA A 35 4.390 -1.652 -1.629 1.00 0.00 C ATOM 452 O ALA A 35 3.824 -0.631 -1.238 1.00 0.00 O ATOM 453 CB ALA A 35 6.599 -1.402 -0.395 1.00 0.00 C ATOM 0 H ALA A 35 6.152 0.224 -2.517 1.00 0.00 H new ATOM 0 HA ALA A 35 6.192 -2.719 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.263 -2.117 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.680 -1.481 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.342 -0.392 -0.075 1.00 0.00 H new ATOM 459 N LEU A 36 3.767 -2.764 -1.988 1.00 0.00 N ATOM 460 CA LEU A 36 2.317 -2.858 -1.942 1.00 0.00 C ATOM 461 C LEU A 36 1.897 -3.576 -0.658 1.00 0.00 C ATOM 462 O LEU A 36 2.653 -4.379 -0.116 1.00 0.00 O ATOM 463 CB LEU A 36 1.782 -3.515 -3.216 1.00 0.00 C ATOM 464 CG LEU A 36 1.512 -2.574 -4.393 1.00 0.00 C ATOM 465 CD1 LEU A 36 1.615 -3.319 -5.725 1.00 0.00 C ATOM 466 CD2 LEU A 36 0.163 -1.869 -4.234 1.00 0.00 C ATOM 0 H LEU A 36 4.239 -3.608 -2.312 1.00 0.00 H new ATOM 0 HA LEU A 36 1.872 -1.863 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.497 -4.272 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.855 -4.035 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 36 2.281 -1.801 -4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.419 -2.628 -6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.617 -3.735 -5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.883 -4.126 -5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.004 -1.207 -5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.633 -2.612 -4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.164 -1.285 -3.314 1.00 0.00 H new ATOM 477 N THR A 37 0.691 -3.259 -0.209 1.00 0.00 N ATOM 478 CA THR A 37 0.161 -3.864 1.002 1.00 0.00 C ATOM 479 C THR A 37 -1.365 -3.954 0.928 1.00 0.00 C ATOM 480 O THR A 37 -2.057 -2.944 1.044 1.00 0.00 O ATOM 481 CB THR A 37 0.665 -3.051 2.196 1.00 0.00 C ATOM 482 OG1 THR A 37 0.819 -1.732 1.678 1.00 0.00 O ATOM 483 CG2 THR A 37 2.078 -3.451 2.623 1.00 0.00 C ATOM 0 H THR A 37 0.066 -2.592 -0.661 1.00 0.00 H new ATOM 0 HA THR A 37 0.511 -4.890 1.118 1.00 0.00 H new ATOM 0 HB THR A 37 -0.018 -3.180 3.036 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.289 -1.176 2.334 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.387 -2.843 3.474 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.088 -4.504 2.906 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.767 -3.291 1.794 1.00 0.00 H new ATOM 491 N TRP A 38 -1.844 -5.174 0.736 1.00 0.00 N ATOM 492 CA TRP A 38 -3.275 -5.411 0.646 1.00 0.00 C ATOM 493 C TRP A 38 -3.677 -6.327 1.804 1.00 0.00 C ATOM 494 O TRP A 38 -2.880 -7.148 2.255 1.00 0.00 O ATOM 495 CB TRP A 38 -3.652 -5.978 -0.724 1.00 0.00 C ATOM 496 CG TRP A 38 -3.007 -7.330 -1.036 1.00 0.00 C ATOM 497 CD1 TRP A 38 -3.514 -8.553 -0.830 1.00 0.00 C ATOM 498 CD2 TRP A 38 -1.707 -7.548 -1.623 1.00 0.00 C ATOM 499 NE1 TRP A 38 -2.639 -9.539 -1.239 1.00 0.00 N ATOM 500 CE2 TRP A 38 -1.505 -8.908 -1.738 1.00 0.00 C ATOM 501 CE3 TRP A 38 -0.733 -6.624 -2.044 1.00 0.00 C ATOM 502 CZ2 TRP A 38 -0.338 -9.469 -2.271 1.00 0.00 C ATOM 503 CZ3 TRP A 38 0.427 -7.201 -2.575 1.00 0.00 C ATOM 504 CH2 TRP A 38 0.646 -8.568 -2.697 1.00 0.00 C ATOM 0 H TRP A 38 -1.267 -6.009 0.640 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.827 -4.475 0.735 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.736 -6.083 -0.777 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.363 -5.263 -1.494 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.485 -8.743 -0.398 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.796 -10.545 -1.185 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.869 -5.556 -1.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.204 -10.538 -2.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.208 -6.536 -2.914 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.571 -8.934 -3.118 1.00 0.00 H new ATOM 514 N THR A 39 -4.912 -6.156 2.250 1.00 0.00 N ATOM 515 CA THR A 39 -5.429 -6.957 3.347 1.00 0.00 C ATOM 516 C THR A 39 -6.218 -8.152 2.808 1.00 0.00 C ATOM 517 O THR A 39 -6.705 -8.121 1.679 1.00 0.00 O ATOM 518 CB THR A 39 -6.256 -6.041 4.253 1.00 0.00 C ATOM 519 OG1 THR A 39 -7.063 -5.293 3.347 1.00 0.00 O ATOM 520 CG2 THR A 39 -5.401 -4.982 4.952 1.00 0.00 C ATOM 0 H THR A 39 -5.570 -5.475 1.872 1.00 0.00 H new ATOM 0 HA THR A 39 -4.621 -7.382 3.942 1.00 0.00 H new ATOM 0 HB THR A 39 -6.773 -6.642 5.001 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.655 -4.697 3.852 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.036 -4.359 5.582 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.647 -5.472 5.568 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.910 -4.359 4.204 1.00 0.00 H new ATOM 528 N PRO A 40 -6.323 -9.203 3.664 1.00 0.00 N ATOM 529 CA PRO A 40 -7.044 -10.407 3.286 1.00 0.00 C ATOM 530 C PRO A 40 -8.557 -10.176 3.329 1.00 0.00 C ATOM 531 O PRO A 40 -9.016 -9.127 3.779 1.00 0.00 O ATOM 532 CB PRO A 40 -6.578 -11.470 4.266 1.00 0.00 C ATOM 533 CG PRO A 40 -5.971 -10.718 5.440 1.00 0.00 C ATOM 534 CD PRO A 40 -5.760 -9.275 5.009 1.00 0.00 C ATOM 0 HA PRO A 40 -6.840 -10.714 2.260 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.411 -12.094 4.590 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.845 -12.132 3.805 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.631 -10.765 6.306 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.024 -11.171 5.735 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.261 -8.583 5.685 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.702 -9.012 5.010 1.00 0.00 H new ATOM 539 N PRO A 41 -9.308 -11.200 2.844 1.00 0.00 N ATOM 540 CA PRO A 41 -10.759 -11.119 2.823 1.00 0.00 C ATOM 541 C PRO A 41 -11.339 -11.312 4.225 1.00 0.00 C ATOM 542 O PRO A 41 -10.722 -11.956 5.073 1.00 0.00 O ATOM 543 CB PRO A 41 -11.199 -12.195 1.845 1.00 0.00 C ATOM 544 CG PRO A 41 -10.018 -13.143 1.708 1.00 0.00 C ATOM 545 CD PRO A 41 -8.800 -12.458 2.304 1.00 0.00 C ATOM 0 HA PRO A 41 -11.121 -10.141 2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.081 -12.720 2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.465 -11.761 0.881 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.220 -14.081 2.225 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.844 -13.387 0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.345 -13.068 3.084 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.034 -12.284 1.548 1.00 0.00 H new ATOM 550 N LYS A 42 -12.519 -10.743 4.427 1.00 0.00 N ATOM 551 CA LYS A 42 -13.190 -10.845 5.712 1.00 0.00 C ATOM 552 C LYS A 42 -13.915 -12.188 5.799 1.00 0.00 C ATOM 553 O LYS A 42 -14.434 -12.551 6.854 1.00 0.00 O ATOM 554 CB LYS A 42 -14.101 -9.637 5.938 1.00 0.00 C ATOM 555 CG LYS A 42 -13.426 -8.600 6.838 1.00 0.00 C ATOM 556 CD LYS A 42 -14.463 -7.701 7.512 1.00 0.00 C ATOM 557 CE LYS A 42 -15.021 -6.673 6.526 1.00 0.00 C ATOM 558 NZ LYS A 42 -16.347 -7.100 6.026 1.00 0.00 N ATOM 0 H LYS A 42 -13.028 -10.210 3.722 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.463 -10.823 6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.353 -9.183 4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.037 -9.963 6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.829 -9.106 7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.741 -7.992 6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.276 -8.310 7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.009 -7.188 8.360 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.105 -5.702 7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.332 -6.552 5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.711 -6.391 5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.257 -8.017 5.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.006 -7.193 6.825 1.00 0.00 H new ATOM 630 N ILE A 49 -8.723 -19.185 -0.507 1.00 0.00 N ATOM 631 CA ILE A 49 -7.924 -18.215 -1.237 1.00 0.00 C ATOM 632 C ILE A 49 -6.560 -18.827 -1.565 1.00 0.00 C ATOM 633 O ILE A 49 -5.636 -18.761 -0.755 1.00 0.00 O ATOM 634 CB ILE A 49 -7.837 -16.900 -0.462 1.00 0.00 C ATOM 635 CG1 ILE A 49 -9.185 -16.176 -0.456 1.00 0.00 C ATOM 636 CG2 ILE A 49 -6.714 -16.014 -1.007 1.00 0.00 C ATOM 637 CD1 ILE A 49 -9.880 -16.322 0.899 1.00 0.00 C ATOM 0 HA ILE A 49 -8.400 -17.968 -2.186 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.591 -17.131 0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.035 -15.120 -0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.823 -16.581 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.674 -15.085 -0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.762 -16.536 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.905 -15.789 -2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.836 -15.798 0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -10.050 -17.378 1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -9.250 -15.894 1.679 1.00 0.00 H new ATOM 648 N THR A 50 -6.478 -19.409 -2.752 1.00 0.00 N ATOM 649 CA THR A 50 -5.243 -20.033 -3.195 1.00 0.00 C ATOM 650 C THR A 50 -4.087 -19.034 -3.125 1.00 0.00 C ATOM 651 O THR A 50 -3.026 -19.343 -2.583 1.00 0.00 O ATOM 652 CB THR A 50 -5.476 -20.597 -4.598 1.00 0.00 C ATOM 653 OG1 THR A 50 -6.117 -19.535 -5.298 1.00 0.00 O ATOM 654 CG2 THR A 50 -6.506 -21.728 -4.611 1.00 0.00 C ATOM 0 H THR A 50 -7.246 -19.462 -3.421 1.00 0.00 H new ATOM 0 HA THR A 50 -4.958 -20.857 -2.541 1.00 0.00 H new ATOM 0 HB THR A 50 -4.532 -20.961 -5.003 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.303 -19.815 -6.218 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.634 -22.092 -5.630 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.160 -22.543 -3.975 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.460 -21.356 -4.237 1.00 0.00 H new ATOM 662 N GLY A 51 -4.328 -17.857 -3.683 1.00 0.00 N ATOM 663 CA GLY A 51 -3.321 -16.811 -3.691 1.00 0.00 C ATOM 664 C GLY A 51 -3.945 -15.450 -4.003 1.00 0.00 C ATOM 665 O GLY A 51 -5.099 -15.198 -3.659 1.00 0.00 O ATOM 0 H GLY A 51 -5.208 -17.605 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.824 -16.773 -2.722 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.557 -17.043 -4.433 1.00 0.00 H new ATOM 669 N TYR A 52 -3.156 -14.606 -4.651 1.00 0.00 N ATOM 670 CA TYR A 52 -3.617 -13.277 -5.013 1.00 0.00 C ATOM 671 C TYR A 52 -2.861 -12.747 -6.234 1.00 0.00 C ATOM 672 O TYR A 52 -1.634 -12.655 -6.217 1.00 0.00 O ATOM 673 CB TYR A 52 -3.311 -12.382 -3.811 1.00 0.00 C ATOM 674 CG TYR A 52 -3.650 -13.016 -2.461 1.00 0.00 C ATOM 675 CD1 TYR A 52 -2.821 -13.981 -1.924 1.00 0.00 C ATOM 676 CD2 TYR A 52 -4.784 -12.623 -1.780 1.00 0.00 C ATOM 677 CE1 TYR A 52 -3.141 -14.577 -0.653 1.00 0.00 C ATOM 678 CE2 TYR A 52 -5.104 -13.220 -0.509 1.00 0.00 C ATOM 679 CZ TYR A 52 -4.268 -14.167 -0.008 1.00 0.00 C ATOM 680 OH TYR A 52 -4.569 -14.731 1.192 1.00 0.00 O ATOM 0 H TYR A 52 -2.199 -14.817 -4.935 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.678 -13.294 -5.262 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.252 -12.123 -3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.868 -11.451 -3.913 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.933 -14.288 -2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.432 -11.868 -2.200 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.501 -15.332 -0.221 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.989 -12.922 0.034 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.400 -14.342 1.537 1.00 0.00 H new ATOM 689 N THR A 53 -3.624 -12.414 -7.265 1.00 0.00 N ATOM 690 CA THR A 53 -3.042 -11.897 -8.491 1.00 0.00 C ATOM 691 C THR A 53 -2.871 -10.378 -8.400 1.00 0.00 C ATOM 692 O THR A 53 -3.804 -9.665 -8.037 1.00 0.00 O ATOM 693 CB THR A 53 -3.927 -12.339 -9.658 1.00 0.00 C ATOM 694 OG1 THR A 53 -3.889 -13.763 -9.601 1.00 0.00 O ATOM 695 CG2 THR A 53 -3.312 -12.004 -11.018 1.00 0.00 C ATOM 0 H THR A 53 -4.641 -12.492 -7.276 1.00 0.00 H new ATOM 0 HA THR A 53 -2.041 -12.297 -8.653 1.00 0.00 H new ATOM 0 HB THR A 53 -4.904 -11.863 -9.574 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.583 -14.117 -10.462 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.980 -12.339 -11.812 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.167 -10.927 -11.096 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.350 -12.508 -11.116 1.00 0.00 H new ATOM 703 N ILE A 54 -1.670 -9.930 -8.737 1.00 0.00 N ATOM 704 CA ILE A 54 -1.364 -8.510 -8.700 1.00 0.00 C ATOM 705 C ILE A 54 -1.114 -8.008 -10.122 1.00 0.00 C ATOM 706 O ILE A 54 -0.500 -8.703 -10.931 1.00 0.00 O ATOM 707 CB ILE A 54 -0.204 -8.238 -7.738 1.00 0.00 C ATOM 708 CG1 ILE A 54 -0.521 -8.761 -6.336 1.00 0.00 C ATOM 709 CG2 ILE A 54 0.160 -6.752 -7.727 1.00 0.00 C ATOM 710 CD1 ILE A 54 0.411 -9.915 -5.959 1.00 0.00 C ATOM 0 H ILE A 54 -0.898 -10.525 -9.037 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.212 -7.948 -8.309 1.00 0.00 H new ATOM 0 HB ILE A 54 0.671 -8.782 -8.094 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.418 -7.954 -5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.557 -9.097 -6.295 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.986 -6.585 -7.036 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.457 -6.443 -8.729 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.703 -6.168 -7.408 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.165 -10.269 -4.958 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.288 -10.730 -6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.444 -9.569 -5.978 1.00 0.00 H new ATOM 721 N GLN A 55 -1.603 -6.806 -10.387 1.00 0.00 N ATOM 722 CA GLN A 55 -1.440 -6.203 -11.698 1.00 0.00 C ATOM 723 C GLN A 55 -1.314 -4.683 -11.572 1.00 0.00 C ATOM 724 O GLN A 55 -2.002 -4.064 -10.762 1.00 0.00 O ATOM 725 CB GLN A 55 -2.598 -6.581 -12.624 1.00 0.00 C ATOM 726 CG GLN A 55 -2.903 -8.078 -12.536 1.00 0.00 C ATOM 727 CD GLN A 55 -3.810 -8.521 -13.685 1.00 0.00 C ATOM 728 OE1 GLN A 55 -4.517 -7.733 -14.292 1.00 0.00 O ATOM 729 NE2 GLN A 55 -3.748 -9.824 -13.951 1.00 0.00 N ATOM 0 H GLN A 55 -2.113 -6.233 -9.715 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.522 -6.589 -12.141 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.486 -6.009 -12.355 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.348 -6.317 -13.652 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.972 -8.645 -12.563 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.383 -8.300 -11.583 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.135 -10.428 -13.404 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.314 -10.219 -14.702 1.00 0.00 H new ATOM 736 N LYS A 56 -0.428 -4.125 -12.385 1.00 0.00 N ATOM 737 CA LYS A 56 -0.203 -2.690 -12.374 1.00 0.00 C ATOM 738 C LYS A 56 -0.651 -2.098 -13.712 1.00 0.00 C ATOM 739 O LYS A 56 -0.904 -2.832 -14.667 1.00 0.00 O ATOM 740 CB LYS A 56 1.252 -2.379 -12.020 1.00 0.00 C ATOM 741 CG LYS A 56 2.174 -2.633 -13.214 1.00 0.00 C ATOM 742 CD LYS A 56 3.617 -2.850 -12.756 1.00 0.00 C ATOM 743 CE LYS A 56 4.480 -3.390 -13.898 1.00 0.00 C ATOM 744 NZ LYS A 56 5.793 -3.843 -13.388 1.00 0.00 N ATOM 0 H LYS A 56 0.142 -4.641 -13.055 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.804 -2.216 -11.598 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.339 -1.339 -11.704 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.565 -2.996 -11.177 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.828 -3.507 -13.765 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.130 -1.786 -13.899 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.033 -1.909 -12.395 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.636 -3.549 -11.920 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.968 -4.219 -14.388 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.624 -2.615 -14.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.365 -4.206 -14.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.286 -3.044 -12.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.651 -4.598 -12.687 1.00 0.00 H new ATOM 754 N ALA A 57 -0.734 -0.776 -13.740 1.00 0.00 N ATOM 755 CA ALA A 57 -1.146 -0.077 -14.946 1.00 0.00 C ATOM 756 C ALA A 57 -0.634 1.364 -14.895 1.00 0.00 C ATOM 757 O ALA A 57 -0.897 2.087 -13.935 1.00 0.00 O ATOM 758 CB ALA A 57 -2.668 -0.150 -15.083 1.00 0.00 C ATOM 0 H ALA A 57 -0.523 -0.170 -12.947 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.716 -0.549 -15.829 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.977 0.374 -15.987 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.978 -1.193 -15.144 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.134 0.317 -14.215 1.00 0.00 H new ATOM 764 N ASP A 58 0.089 1.739 -15.940 1.00 0.00 N ATOM 765 CA ASP A 58 0.640 3.080 -16.027 1.00 0.00 C ATOM 766 C ASP A 58 -0.503 4.089 -16.152 1.00 0.00 C ATOM 767 O ASP A 58 -1.639 3.714 -16.437 1.00 0.00 O ATOM 768 CB ASP A 58 1.538 3.228 -17.257 1.00 0.00 C ATOM 769 CG ASP A 58 2.236 1.943 -17.706 1.00 0.00 C ATOM 770 OD1 ASP A 58 1.515 1.045 -18.190 1.00 0.00 O ATOM 771 OD2 ASP A 58 3.476 1.890 -17.557 1.00 0.00 O ATOM 0 H ASP A 58 0.306 1.137 -16.734 1.00 0.00 H new ATOM 0 HA ASP A 58 1.228 3.262 -15.127 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.937 3.605 -18.084 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.297 3.981 -17.046 1.00 0.00 H new ATOM 775 N LYS A 59 -0.163 5.351 -15.931 1.00 0.00 N ATOM 776 CA LYS A 59 -1.147 6.417 -16.015 1.00 0.00 C ATOM 777 C LYS A 59 -1.142 6.999 -17.430 1.00 0.00 C ATOM 778 O LYS A 59 -1.527 8.149 -17.633 1.00 0.00 O ATOM 779 CB LYS A 59 -0.902 7.459 -14.922 1.00 0.00 C ATOM 780 CG LYS A 59 -2.055 7.480 -13.916 1.00 0.00 C ATOM 781 CD LYS A 59 -3.283 8.178 -14.503 1.00 0.00 C ATOM 782 CE LYS A 59 -3.603 9.461 -13.735 1.00 0.00 C ATOM 783 NZ LYS A 59 -4.824 10.099 -14.278 1.00 0.00 N ATOM 0 H LYS A 59 0.780 5.659 -15.694 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.148 6.026 -15.833 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.032 7.237 -14.406 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.790 8.445 -15.373 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.313 6.460 -13.632 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.740 7.993 -13.007 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.105 8.413 -15.552 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.140 7.505 -14.467 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.743 9.234 -12.678 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.763 10.152 -13.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.027 10.969 -13.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.677 10.333 -15.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.627 9.444 -14.190 1.00 0.00 H new ATOM 793 N LYS A 60 -0.703 6.177 -18.373 1.00 0.00 N ATOM 794 CA LYS A 60 -0.645 6.595 -19.763 1.00 0.00 C ATOM 795 C LYS A 60 -1.852 6.030 -20.512 1.00 0.00 C ATOM 796 O LYS A 60 -2.497 6.740 -21.282 1.00 0.00 O ATOM 797 CB LYS A 60 0.700 6.208 -20.382 1.00 0.00 C ATOM 798 CG LYS A 60 1.846 6.444 -19.395 1.00 0.00 C ATOM 799 CD LYS A 60 1.931 7.917 -18.995 1.00 0.00 C ATOM 800 CE LYS A 60 2.149 8.807 -20.221 1.00 0.00 C ATOM 801 NZ LYS A 60 2.780 10.086 -19.826 1.00 0.00 N ATOM 0 H LYS A 60 -0.384 5.224 -18.201 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.704 7.681 -19.837 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.680 5.159 -20.678 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.869 6.791 -21.287 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.697 5.830 -18.506 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.788 6.131 -19.845 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.014 8.212 -18.485 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.749 8.059 -18.288 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.780 8.291 -20.945 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.195 9.001 -20.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.921 10.678 -20.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.164 10.584 -19.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.699 9.896 -19.379 1.00 0.00 H new ATOM 811 N SER A 61 -2.122 4.758 -20.262 1.00 0.00 N ATOM 812 CA SER A 61 -3.240 4.089 -20.903 1.00 0.00 C ATOM 813 C SER A 61 -4.033 3.285 -19.870 1.00 0.00 C ATOM 814 O SER A 61 -4.930 2.523 -20.226 1.00 0.00 O ATOM 815 CB SER A 61 -2.762 3.174 -22.032 1.00 0.00 C ATOM 816 OG SER A 61 -2.055 3.894 -23.039 1.00 0.00 O ATOM 0 H SER A 61 -1.585 4.172 -19.623 1.00 0.00 H new ATOM 0 HA SER A 61 -3.888 4.850 -21.338 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.117 2.397 -21.621 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.620 2.672 -22.480 1.00 0.00 H new ATOM 0 HG SER A 61 -1.765 3.275 -23.741 1.00 0.00 H new ATOM 821 N MET A 62 -3.673 3.485 -18.610 1.00 0.00 N ATOM 822 CA MET A 62 -4.339 2.788 -17.523 1.00 0.00 C ATOM 823 C MET A 62 -4.705 1.359 -17.930 1.00 0.00 C ATOM 824 O MET A 62 -5.823 0.907 -17.686 1.00 0.00 O ATOM 825 CB MET A 62 -5.608 3.548 -17.130 1.00 0.00 C ATOM 826 CG MET A 62 -5.316 4.574 -16.034 1.00 0.00 C ATOM 827 SD MET A 62 -6.731 4.738 -14.958 1.00 0.00 S ATOM 828 CE MET A 62 -6.717 3.131 -14.181 1.00 0.00 C ATOM 0 H MET A 62 -2.929 4.119 -18.318 1.00 0.00 H new ATOM 0 HA MET A 62 -3.656 2.740 -16.675 1.00 0.00 H new ATOM 0 HB2 MET A 62 -6.020 4.052 -18.004 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.364 2.844 -16.782 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.444 4.264 -15.457 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.076 5.538 -16.482 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.061 3.222 -13.151 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.378 2.457 -14.726 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.703 2.731 -14.191 1.00 0.00 H new ATOM 836 N GLU A 63 -3.742 0.687 -18.541 1.00 0.00 N ATOM 837 CA GLU A 63 -3.948 -0.682 -18.984 1.00 0.00 C ATOM 838 C GLU A 63 -3.410 -1.664 -17.941 1.00 0.00 C ATOM 839 O GLU A 63 -2.372 -1.418 -17.328 1.00 0.00 O ATOM 840 CB GLU A 63 -3.298 -0.921 -20.348 1.00 0.00 C ATOM 841 CG GLU A 63 -4.104 -0.253 -21.464 1.00 0.00 C ATOM 842 CD GLU A 63 -3.598 -0.687 -22.841 1.00 0.00 C ATOM 843 OE1 GLU A 63 -2.586 -0.100 -23.284 1.00 0.00 O ATOM 844 OE2 GLU A 63 -4.232 -1.595 -23.420 1.00 0.00 O ATOM 0 H GLU A 63 -2.816 1.065 -18.740 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.019 -0.850 -19.095 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.281 -0.529 -20.344 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.226 -1.992 -20.538 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.158 -0.512 -21.362 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.032 0.831 -21.371 1.00 0.00 H new ATOM 849 N TRP A 64 -4.141 -2.755 -17.770 1.00 0.00 N ATOM 850 CA TRP A 64 -3.751 -3.776 -16.812 1.00 0.00 C ATOM 851 C TRP A 64 -3.233 -4.984 -17.593 1.00 0.00 C ATOM 852 O TRP A 64 -3.819 -5.374 -18.603 1.00 0.00 O ATOM 853 CB TRP A 64 -4.911 -4.121 -15.876 1.00 0.00 C ATOM 854 CG TRP A 64 -5.531 -2.908 -15.179 1.00 0.00 C ATOM 855 CD1 TRP A 64 -6.549 -2.146 -15.601 1.00 0.00 C ATOM 856 CD2 TRP A 64 -5.129 -2.346 -13.912 1.00 0.00 C ATOM 857 NE1 TRP A 64 -6.832 -1.137 -14.703 1.00 0.00 N ATOM 858 CE2 TRP A 64 -5.941 -1.262 -13.644 1.00 0.00 C ATOM 859 CE3 TRP A 64 -4.113 -2.739 -13.024 1.00 0.00 C ATOM 860 CZ2 TRP A 64 -5.820 -0.483 -12.487 1.00 0.00 C ATOM 861 CZ3 TRP A 64 -4.006 -1.949 -11.873 1.00 0.00 C ATOM 862 CH2 TRP A 64 -4.815 -0.856 -11.586 1.00 0.00 C ATOM 0 H TRP A 64 -5.002 -2.955 -18.279 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.953 -3.413 -16.164 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.685 -4.634 -16.447 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.557 -4.821 -15.119 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.081 -2.302 -16.528 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.561 -0.430 -14.799 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.466 -3.583 -13.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.467 0.361 -12.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.240 -2.207 -11.157 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.669 -0.297 -10.673 1.00 0.00 H new ATOM 872 N PHE A 65 -2.139 -5.545 -17.097 1.00 0.00 N ATOM 873 CA PHE A 65 -1.536 -6.702 -17.736 1.00 0.00 C ATOM 874 C PHE A 65 -1.463 -7.886 -16.770 1.00 0.00 C ATOM 875 O PHE A 65 -2.364 -8.723 -16.738 1.00 0.00 O ATOM 876 CB PHE A 65 -0.115 -6.300 -18.140 1.00 0.00 C ATOM 877 CG PHE A 65 -0.038 -5.533 -19.461 1.00 0.00 C ATOM 878 CD1 PHE A 65 -0.591 -6.059 -20.587 1.00 0.00 C ATOM 879 CD2 PHE A 65 0.584 -4.325 -19.510 1.00 0.00 C ATOM 880 CE1 PHE A 65 -0.519 -5.347 -21.812 1.00 0.00 C ATOM 881 CE2 PHE A 65 0.657 -3.612 -20.737 1.00 0.00 C ATOM 882 CZ PHE A 65 0.104 -4.138 -21.862 1.00 0.00 C ATOM 0 H PHE A 65 -1.655 -5.219 -16.260 1.00 0.00 H new ATOM 0 HA PHE A 65 -2.133 -7.006 -18.596 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.317 -5.686 -17.349 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.498 -7.198 -18.217 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.085 -7.019 -20.548 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.023 -3.907 -18.616 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.959 -5.765 -22.706 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.152 -2.653 -20.776 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.159 -3.597 -22.795 1.00 0.00 H new ATOM 891 N THR A 66 -0.382 -7.919 -16.006 1.00 0.00 N ATOM 892 CA THR A 66 -0.179 -8.987 -15.041 1.00 0.00 C ATOM 893 C THR A 66 1.201 -8.866 -14.393 1.00 0.00 C ATOM 894 O THR A 66 2.221 -9.049 -15.057 1.00 0.00 O ATOM 895 CB THR A 66 -0.398 -10.320 -15.759 1.00 0.00 C ATOM 896 OG1 THR A 66 -1.737 -10.678 -15.424 1.00 0.00 O ATOM 897 CG2 THR A 66 0.448 -11.450 -15.168 1.00 0.00 C ATOM 0 H THR A 66 0.363 -7.223 -16.035 1.00 0.00 H new ATOM 0 HA THR A 66 -0.895 -8.921 -14.221 1.00 0.00 H new ATOM 0 HB THR A 66 -0.162 -10.205 -16.817 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.352 -10.298 -16.086 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.254 -12.373 -15.714 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.504 -11.195 -15.250 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.189 -11.588 -14.118 1.00 0.00 H new ATOM 905 N VAL A 67 1.191 -8.559 -13.105 1.00 0.00 N ATOM 906 CA VAL A 67 2.429 -8.410 -12.360 1.00 0.00 C ATOM 907 C VAL A 67 2.842 -9.769 -11.789 1.00 0.00 C ATOM 908 O VAL A 67 4.000 -10.167 -11.900 1.00 0.00 O ATOM 909 CB VAL A 67 2.267 -7.335 -11.284 1.00 0.00 C ATOM 910 CG1 VAL A 67 3.487 -7.296 -10.360 1.00 0.00 C ATOM 911 CG2 VAL A 67 2.013 -5.963 -11.913 1.00 0.00 C ATOM 0 H VAL A 67 0.344 -8.409 -12.557 1.00 0.00 H new ATOM 0 HA VAL A 67 3.232 -8.075 -13.017 1.00 0.00 H new ATOM 0 HB VAL A 67 1.397 -7.594 -10.681 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.346 -6.523 -9.604 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.605 -8.264 -9.872 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.379 -7.073 -10.945 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.902 -5.217 -11.126 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.855 -5.694 -12.551 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.102 -6.000 -12.510 1.00 0.00 H new ATOM 921 N ILE A 68 1.871 -10.443 -11.191 1.00 0.00 N ATOM 922 CA ILE A 68 2.118 -11.748 -10.603 1.00 0.00 C ATOM 923 C ILE A 68 0.821 -12.560 -10.609 1.00 0.00 C ATOM 924 O ILE A 68 -0.270 -11.993 -10.648 1.00 0.00 O ATOM 925 CB ILE A 68 2.744 -11.602 -9.215 1.00 0.00 C ATOM 926 CG1 ILE A 68 3.780 -12.698 -8.961 1.00 0.00 C ATOM 927 CG2 ILE A 68 1.668 -11.567 -8.128 1.00 0.00 C ATOM 928 CD1 ILE A 68 5.195 -12.195 -9.255 1.00 0.00 C ATOM 0 H ILE A 68 0.911 -10.110 -11.101 1.00 0.00 H new ATOM 0 HA ILE A 68 2.844 -12.301 -11.198 1.00 0.00 H new ATOM 0 HB ILE A 68 3.270 -10.648 -9.178 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.716 -13.030 -7.925 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.560 -13.563 -9.587 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.141 -11.463 -7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.003 -10.721 -8.301 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.093 -12.492 -8.156 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.912 -12.994 -9.066 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.262 -11.886 -10.298 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.420 -11.346 -8.610 1.00 0.00 H new ATOM 939 N GLU A 69 0.982 -13.875 -10.569 1.00 0.00 N ATOM 940 CA GLU A 69 -0.162 -14.769 -10.570 1.00 0.00 C ATOM 941 C GLU A 69 0.012 -15.854 -9.504 1.00 0.00 C ATOM 942 O GLU A 69 1.118 -16.346 -9.289 1.00 0.00 O ATOM 943 CB GLU A 69 -0.374 -15.389 -11.953 1.00 0.00 C ATOM 944 CG GLU A 69 -0.569 -14.305 -13.015 1.00 0.00 C ATOM 945 CD GLU A 69 -2.024 -14.251 -13.483 1.00 0.00 C ATOM 946 OE1 GLU A 69 -2.905 -14.268 -12.597 1.00 0.00 O ATOM 947 OE2 GLU A 69 -2.222 -14.193 -14.717 1.00 0.00 O ATOM 0 H GLU A 69 1.888 -14.342 -10.536 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.052 -14.188 -10.329 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.484 -16.008 -12.213 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.245 -16.044 -11.932 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.278 -13.336 -12.609 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.083 -14.503 -13.866 1.00 0.00 H new ATOM 952 N HIS A 70 -1.099 -16.195 -8.867 1.00 0.00 N ATOM 953 CA HIS A 70 -1.083 -17.212 -7.829 1.00 0.00 C ATOM 954 C HIS A 70 0.110 -16.979 -6.899 1.00 0.00 C ATOM 955 O HIS A 70 1.080 -17.735 -6.928 1.00 0.00 O ATOM 956 CB HIS A 70 -1.092 -18.613 -8.442 1.00 0.00 C ATOM 957 CG HIS A 70 -0.001 -18.845 -9.461 1.00 0.00 C ATOM 958 ND1 HIS A 70 0.107 -18.438 -10.759 1.00 0.00 N flip ATOM 959 CD2 HIS A 70 1.142 -19.574 -9.184 1.00 0.00 C flip ATOM 960 CE1 HIS A 70 1.254 -18.892 -11.246 1.00 0.00 C flip ATOM 961 NE2 HIS A 70 1.898 -19.597 -10.271 1.00 0.00 N flip ATOM 0 H HIS A 70 -2.015 -15.786 -9.049 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.988 -17.136 -7.227 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.992 -19.348 -7.644 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.059 -18.785 -8.915 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.378 -20.045 -8.241 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.619 -18.730 -12.250 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.802 -20.060 -10.363 1.00 0.00 H new ATOM 968 N TYR A 71 -0.001 -15.929 -6.099 1.00 0.00 N ATOM 969 CA TYR A 71 1.056 -15.587 -5.163 1.00 0.00 C ATOM 970 C TYR A 71 0.881 -16.335 -3.839 1.00 0.00 C ATOM 971 O TYR A 71 0.250 -17.390 -3.797 1.00 0.00 O ATOM 972 CB TYR A 71 0.924 -14.084 -4.908 1.00 0.00 C ATOM 973 CG TYR A 71 2.255 -13.378 -4.640 1.00 0.00 C ATOM 974 CD1 TYR A 71 3.327 -13.589 -5.482 1.00 0.00 C ATOM 975 CD2 TYR A 71 2.382 -12.532 -3.558 1.00 0.00 C ATOM 976 CE1 TYR A 71 4.581 -12.925 -5.231 1.00 0.00 C ATOM 977 CE2 TYR A 71 3.634 -11.867 -3.308 1.00 0.00 C ATOM 978 CZ TYR A 71 4.672 -12.096 -4.156 1.00 0.00 C ATOM 979 OH TYR A 71 5.855 -11.469 -3.919 1.00 0.00 O ATOM 0 H TYR A 71 -0.807 -15.304 -6.080 1.00 0.00 H new ATOM 0 HA TYR A 71 2.030 -15.858 -5.570 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.446 -13.620 -5.771 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.263 -13.927 -4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.227 -14.252 -6.329 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.542 -12.369 -2.899 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.429 -13.082 -5.881 1.00 0.00 H new ATOM 0 HE2 TYR A 71 3.746 -11.201 -2.465 1.00 0.00 H new ATOM 0 HH TYR A 71 5.774 -10.908 -3.120 1.00 0.00 H new ATOM 988 N HIS A 72 1.448 -15.758 -2.791 1.00 0.00 N ATOM 989 CA HIS A 72 1.362 -16.356 -1.469 1.00 0.00 C ATOM 990 C HIS A 72 1.215 -15.256 -0.417 1.00 0.00 C ATOM 991 O HIS A 72 0.146 -15.093 0.170 1.00 0.00 O ATOM 992 CB HIS A 72 2.561 -17.271 -1.207 1.00 0.00 C ATOM 993 CG HIS A 72 2.488 -18.598 -1.924 1.00 0.00 C ATOM 994 ND1 HIS A 72 2.514 -18.707 -3.303 1.00 0.00 N ATOM 995 CD2 HIS A 72 2.391 -19.869 -1.439 1.00 0.00 C ATOM 996 CE1 HIS A 72 2.435 -19.991 -3.624 1.00 0.00 C ATOM 997 NE2 HIS A 72 2.359 -20.709 -2.465 1.00 0.00 N ATOM 0 H HIS A 72 1.969 -14.882 -2.830 1.00 0.00 H new ATOM 0 HA HIS A 72 0.476 -16.989 -1.409 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.472 -16.755 -1.510 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.639 -17.452 -0.135 1.00 0.00 H new ATOM 0 HD2 HIS A 72 2.348 -20.145 -0.396 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.431 -20.397 -4.625 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.289 -21.724 -2.399 1.00 0.00 H new ATOM 1004 N ARG A 73 2.303 -14.530 -0.209 1.00 0.00 N ATOM 1005 CA ARG A 73 2.308 -13.450 0.762 1.00 0.00 C ATOM 1006 C ARG A 73 1.203 -12.442 0.442 1.00 0.00 C ATOM 1007 O ARG A 73 0.369 -12.686 -0.428 1.00 0.00 O ATOM 1008 CB ARG A 73 3.658 -12.729 0.777 1.00 0.00 C ATOM 1009 CG ARG A 73 4.535 -13.229 1.927 1.00 0.00 C ATOM 1010 CD ARG A 73 4.944 -14.688 1.709 1.00 0.00 C ATOM 1011 NE ARG A 73 4.899 -15.422 2.994 1.00 0.00 N ATOM 1012 CZ ARG A 73 5.839 -15.331 3.944 1.00 0.00 C ATOM 1013 NH1 ARG A 73 6.903 -14.537 3.761 1.00 0.00 N ATOM 1014 NH2 ARG A 73 5.716 -16.035 5.079 1.00 0.00 N ATOM 0 H ARG A 73 3.188 -14.669 -0.697 1.00 0.00 H new ATOM 0 HA ARG A 73 2.131 -13.887 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.170 -12.889 -0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.500 -11.655 0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.426 -12.606 2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.994 -13.136 2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.275 -15.158 0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.949 -14.734 1.289 1.00 0.00 H new ATOM 0 HE ARG A 73 4.102 -16.035 3.167 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.997 -14.002 2.898 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.618 -14.468 4.485 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.907 -16.640 5.219 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.432 -15.966 5.802 1.00 0.00 H new ATOM 1025 N THR A 74 1.232 -11.331 1.163 1.00 0.00 N ATOM 1026 CA THR A 74 0.242 -10.285 0.967 1.00 0.00 C ATOM 1027 C THR A 74 0.915 -9.000 0.479 1.00 0.00 C ATOM 1028 O THR A 74 0.245 -7.994 0.248 1.00 0.00 O ATOM 1029 CB THR A 74 -0.526 -10.108 2.278 1.00 0.00 C ATOM 1030 OG1 THR A 74 0.474 -10.236 3.286 1.00 0.00 O ATOM 1031 CG2 THR A 74 -1.484 -11.269 2.555 1.00 0.00 C ATOM 0 H THR A 74 1.926 -11.132 1.884 1.00 0.00 H new ATOM 0 HA THR A 74 -0.472 -10.557 0.190 1.00 0.00 H new ATOM 0 HB THR A 74 -1.086 -9.173 2.248 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.063 -10.133 4.170 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.004 -11.095 3.497 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.211 -11.341 1.746 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.919 -12.199 2.619 1.00 0.00 H new ATOM 1039 N SER A 75 2.230 -9.075 0.337 1.00 0.00 N ATOM 1040 CA SER A 75 3.000 -7.930 -0.119 1.00 0.00 C ATOM 1041 C SER A 75 3.977 -8.360 -1.215 1.00 0.00 C ATOM 1042 O SER A 75 4.534 -9.455 -1.161 1.00 0.00 O ATOM 1043 CB SER A 75 3.756 -7.278 1.040 1.00 0.00 C ATOM 1044 OG SER A 75 3.966 -8.185 2.118 1.00 0.00 O ATOM 0 H SER A 75 2.782 -9.911 0.530 1.00 0.00 H new ATOM 0 HA SER A 75 2.308 -7.193 -0.526 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.718 -6.910 0.684 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.196 -6.414 1.397 1.00 0.00 H new ATOM 0 HG SER A 75 4.453 -7.731 2.837 1.00 0.00 H new ATOM 1049 N ALA A 76 4.158 -7.475 -2.184 1.00 0.00 N ATOM 1050 CA ALA A 76 5.058 -7.748 -3.291 1.00 0.00 C ATOM 1051 C ALA A 76 5.721 -6.444 -3.737 1.00 0.00 C ATOM 1052 O ALA A 76 5.098 -5.384 -3.706 1.00 0.00 O ATOM 1053 CB ALA A 76 4.284 -8.427 -4.423 1.00 0.00 C ATOM 0 H ALA A 76 3.696 -6.567 -2.225 1.00 0.00 H new ATOM 0 HA ALA A 76 5.850 -8.431 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.959 -8.632 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.858 -9.363 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.482 -7.770 -4.761 1.00 0.00 H new ATOM 1059 N THR A 77 6.976 -6.566 -4.144 1.00 0.00 N ATOM 1060 CA THR A 77 7.731 -5.409 -4.597 1.00 0.00 C ATOM 1061 C THR A 77 7.654 -5.286 -6.120 1.00 0.00 C ATOM 1062 O THR A 77 7.792 -6.278 -6.834 1.00 0.00 O ATOM 1063 CB THR A 77 9.160 -5.541 -4.069 1.00 0.00 C ATOM 1064 OG1 THR A 77 9.013 -5.499 -2.652 1.00 0.00 O ATOM 1065 CG2 THR A 77 10.019 -4.316 -4.390 1.00 0.00 C ATOM 0 H THR A 77 7.489 -7.447 -4.170 1.00 0.00 H new ATOM 0 HA THR A 77 7.310 -4.483 -4.206 1.00 0.00 H new ATOM 0 HB THR A 77 9.623 -6.431 -4.496 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.893 -5.580 -2.229 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.024 -4.462 -3.993 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.072 -4.182 -5.470 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.574 -3.431 -3.936 1.00 0.00 H new ATOM 1073 N ILE A 78 7.435 -4.060 -6.573 1.00 0.00 N ATOM 1074 CA ILE A 78 7.339 -3.794 -7.997 1.00 0.00 C ATOM 1075 C ILE A 78 8.689 -3.291 -8.511 1.00 0.00 C ATOM 1076 O ILE A 78 9.383 -2.548 -7.817 1.00 0.00 O ATOM 1077 CB ILE A 78 6.177 -2.843 -8.288 1.00 0.00 C ATOM 1078 CG1 ILE A 78 4.898 -3.310 -7.591 1.00 0.00 C ATOM 1079 CG2 ILE A 78 5.976 -2.666 -9.795 1.00 0.00 C ATOM 1080 CD1 ILE A 78 4.420 -4.647 -8.160 1.00 0.00 C ATOM 0 H ILE A 78 7.321 -3.240 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 78 7.113 -4.711 -8.540 1.00 0.00 H new ATOM 0 HB ILE A 78 6.428 -1.864 -7.879 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.079 -3.410 -6.521 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.118 -2.559 -7.714 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.144 -1.985 -9.974 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.883 -2.254 -10.237 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.758 -3.633 -10.249 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.509 -4.956 -7.647 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.217 -4.537 -9.225 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.193 -5.402 -8.014 1.00 0.00 H new ATOM 1091 N THR A 79 9.022 -3.715 -9.721 1.00 0.00 N ATOM 1092 CA THR A 79 10.278 -3.315 -10.334 1.00 0.00 C ATOM 1093 C THR A 79 10.020 -2.626 -11.677 1.00 0.00 C ATOM 1094 O THR A 79 8.891 -2.610 -12.163 1.00 0.00 O ATOM 1095 CB THR A 79 11.164 -4.557 -10.449 1.00 0.00 C ATOM 1096 OG1 THR A 79 10.253 -5.605 -10.770 1.00 0.00 O ATOM 1097 CG2 THR A 79 11.758 -4.978 -9.104 1.00 0.00 C ATOM 0 H THR A 79 8.445 -4.331 -10.293 1.00 0.00 H new ATOM 0 HA THR A 79 10.801 -2.580 -9.722 1.00 0.00 H new ATOM 0 HB THR A 79 11.970 -4.364 -11.157 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.744 -6.448 -10.865 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.378 -5.864 -9.241 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.367 -4.167 -8.705 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.953 -5.204 -8.405 1.00 0.00 H new ATOM 1105 N GLU A 80 11.087 -2.074 -12.236 1.00 0.00 N ATOM 1106 CA GLU A 80 10.990 -1.385 -13.512 1.00 0.00 C ATOM 1107 C GLU A 80 10.005 -0.219 -13.413 1.00 0.00 C ATOM 1108 O GLU A 80 8.949 -0.239 -14.045 1.00 0.00 O ATOM 1109 CB GLU A 80 10.586 -2.352 -14.627 1.00 0.00 C ATOM 1110 CG GLU A 80 11.816 -3.008 -15.258 1.00 0.00 C ATOM 1111 CD GLU A 80 11.426 -3.850 -16.474 1.00 0.00 C ATOM 1112 OE1 GLU A 80 10.640 -4.801 -16.277 1.00 0.00 O ATOM 1113 OE2 GLU A 80 11.924 -3.522 -17.573 1.00 0.00 O ATOM 0 H GLU A 80 12.022 -2.090 -11.829 1.00 0.00 H new ATOM 0 HA GLU A 80 11.972 -0.984 -13.762 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.926 -3.121 -14.225 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.023 -1.816 -15.391 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.529 -2.240 -15.557 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.315 -3.637 -14.521 1.00 0.00 H new ATOM 1118 N LEU A 81 10.384 0.767 -12.615 1.00 0.00 N ATOM 1119 CA LEU A 81 9.547 1.940 -12.424 1.00 0.00 C ATOM 1120 C LEU A 81 10.389 3.201 -12.630 1.00 0.00 C ATOM 1121 O LEU A 81 11.445 3.353 -12.020 1.00 0.00 O ATOM 1122 CB LEU A 81 8.846 1.883 -11.066 1.00 0.00 C ATOM 1123 CG LEU A 81 8.107 0.582 -10.745 1.00 0.00 C ATOM 1124 CD1 LEU A 81 7.696 0.533 -9.272 1.00 0.00 C ATOM 1125 CD2 LEU A 81 6.912 0.386 -11.681 1.00 0.00 C ATOM 0 H LEU A 81 11.260 0.779 -12.092 1.00 0.00 H new ATOM 0 HA LEU A 81 8.750 1.964 -13.167 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.590 2.056 -10.288 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.132 2.705 -11.013 1.00 0.00 H new ATOM 0 HG LEU A 81 8.790 -0.250 -10.916 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.173 -0.402 -9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.585 0.594 -8.644 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.037 1.372 -9.050 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.404 -0.546 -11.432 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.219 1.219 -11.566 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.261 0.344 -12.713 1.00 0.00 H new ATOM 1136 N VAL A 82 9.888 4.073 -13.493 1.00 0.00 N ATOM 1137 CA VAL A 82 10.580 5.316 -13.787 1.00 0.00 C ATOM 1138 C VAL A 82 10.306 6.325 -12.670 1.00 0.00 C ATOM 1139 O VAL A 82 9.186 6.411 -12.168 1.00 0.00 O ATOM 1140 CB VAL A 82 10.171 5.829 -15.169 1.00 0.00 C ATOM 1141 CG1 VAL A 82 8.654 6.009 -15.260 1.00 0.00 C ATOM 1142 CG2 VAL A 82 10.900 7.131 -15.509 1.00 0.00 C ATOM 0 H VAL A 82 9.011 3.943 -13.998 1.00 0.00 H new ATOM 0 HA VAL A 82 11.657 5.154 -13.821 1.00 0.00 H new ATOM 0 HB VAL A 82 10.464 5.080 -15.905 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.390 6.374 -16.252 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.163 5.052 -15.083 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.327 6.729 -14.509 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.591 7.474 -16.496 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.653 7.891 -14.767 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.976 6.957 -15.506 1.00 0.00 H new ATOM 1152 N ILE A 83 11.347 7.063 -12.313 1.00 0.00 N ATOM 1153 CA ILE A 83 11.231 8.061 -11.264 1.00 0.00 C ATOM 1154 C ILE A 83 10.641 9.346 -11.851 1.00 0.00 C ATOM 1155 O ILE A 83 11.348 10.118 -12.498 1.00 0.00 O ATOM 1156 CB ILE A 83 12.578 8.266 -10.568 1.00 0.00 C ATOM 1157 CG1 ILE A 83 13.076 6.961 -9.943 1.00 0.00 C ATOM 1158 CG2 ILE A 83 12.500 9.399 -9.543 1.00 0.00 C ATOM 1159 CD1 ILE A 83 14.473 7.138 -9.345 1.00 0.00 C ATOM 0 H ILE A 83 12.274 6.990 -12.732 1.00 0.00 H new ATOM 0 HA ILE A 83 10.546 7.720 -10.488 1.00 0.00 H new ATOM 0 HB ILE A 83 13.309 8.563 -11.320 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.383 6.637 -9.167 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.097 6.176 -10.699 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.471 9.523 -9.063 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.222 10.326 -10.045 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.751 9.157 -8.789 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.803 6.196 -8.907 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.169 7.438 -10.129 1.00 0.00 H new ATOM 0 HD13 ILE A 83 14.443 7.906 -8.572 1.00 0.00 H new ATOM 1170 N GLY A 84 9.353 9.534 -11.605 1.00 0.00 N ATOM 1171 CA GLY A 84 8.661 10.711 -12.101 1.00 0.00 C ATOM 1172 C GLY A 84 7.242 10.362 -12.554 1.00 0.00 C ATOM 1173 O GLY A 84 6.353 11.211 -12.532 1.00 0.00 O ATOM 0 H GLY A 84 8.771 8.891 -11.069 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.621 11.470 -11.320 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.217 11.140 -12.934 1.00 0.00 H new ATOM 1177 N ASN A 85 7.073 9.110 -12.954 1.00 0.00 N ATOM 1178 CA ASN A 85 5.777 8.638 -13.410 1.00 0.00 C ATOM 1179 C ASN A 85 5.084 7.882 -12.273 1.00 0.00 C ATOM 1180 O ASN A 85 5.745 7.353 -11.382 1.00 0.00 O ATOM 1181 CB ASN A 85 5.926 7.679 -14.593 1.00 0.00 C ATOM 1182 CG ASN A 85 6.201 8.445 -15.889 1.00 0.00 C ATOM 1183 OD1 ASN A 85 6.748 7.705 -16.849 1.00 0.00 O flip ATOM 1184 ND2 ASN A 85 5.935 9.630 -16.008 1.00 0.00 N flip ATOM 0 H ASN A 85 7.813 8.408 -12.972 1.00 0.00 H new ATOM 0 HA ASN A 85 5.192 9.505 -13.719 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.740 6.981 -14.399 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.017 7.087 -14.702 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.515 10.139 -15.230 1.00 0.00 H new ATOM 0 HD22 ASN A 85 6.132 10.111 -16.885 1.00 0.00 H new ATOM 1190 N GLU A 86 3.762 7.858 -12.343 1.00 0.00 N ATOM 1191 CA GLU A 86 2.972 7.175 -11.332 1.00 0.00 C ATOM 1192 C GLU A 86 2.362 5.896 -11.907 1.00 0.00 C ATOM 1193 O GLU A 86 2.144 5.796 -13.113 1.00 0.00 O ATOM 1194 CB GLU A 86 1.886 8.096 -10.771 1.00 0.00 C ATOM 1195 CG GLU A 86 0.820 8.393 -11.828 1.00 0.00 C ATOM 1196 CD GLU A 86 1.213 9.601 -12.681 1.00 0.00 C ATOM 1197 OE1 GLU A 86 1.791 10.542 -12.097 1.00 0.00 O ATOM 1198 OE2 GLU A 86 0.925 9.556 -13.896 1.00 0.00 O ATOM 0 H GLU A 86 3.217 8.300 -13.084 1.00 0.00 H new ATOM 0 HA GLU A 86 3.632 6.900 -10.509 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.422 7.630 -9.902 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.335 9.029 -10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.684 7.521 -12.467 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.137 8.583 -11.341 1.00 0.00 H new ATOM 1203 N TYR A 87 2.106 4.948 -11.017 1.00 0.00 N ATOM 1204 CA TYR A 87 1.527 3.679 -11.420 1.00 0.00 C ATOM 1205 C TYR A 87 0.472 3.213 -10.415 1.00 0.00 C ATOM 1206 O TYR A 87 0.521 3.581 -9.243 1.00 0.00 O ATOM 1207 CB TYR A 87 2.680 2.674 -11.433 1.00 0.00 C ATOM 1208 CG TYR A 87 3.812 3.038 -12.397 1.00 0.00 C ATOM 1209 CD1 TYR A 87 3.739 2.657 -13.722 1.00 0.00 C ATOM 1210 CD2 TYR A 87 4.905 3.746 -11.942 1.00 0.00 C ATOM 1211 CE1 TYR A 87 4.804 2.999 -14.628 1.00 0.00 C ATOM 1212 CE2 TYR A 87 5.970 4.088 -12.848 1.00 0.00 C ATOM 1213 CZ TYR A 87 5.866 3.698 -14.148 1.00 0.00 C ATOM 1214 OH TYR A 87 6.872 4.021 -15.004 1.00 0.00 O ATOM 0 H TYR A 87 2.289 5.034 -10.017 1.00 0.00 H new ATOM 0 HA TYR A 87 1.041 3.771 -12.391 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.087 2.591 -10.425 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.290 1.692 -11.701 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.883 2.103 -14.079 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.962 4.044 -10.905 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.760 2.706 -15.667 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.832 4.641 -12.504 1.00 0.00 H new ATOM 0 HH TYR A 87 6.527 4.612 -15.705 1.00 0.00 H new ATOM 1223 N TYR A 88 -0.459 2.411 -10.911 1.00 0.00 N ATOM 1224 CA TYR A 88 -1.524 1.891 -10.071 1.00 0.00 C ATOM 1225 C TYR A 88 -1.333 0.397 -9.805 1.00 0.00 C ATOM 1226 O TYR A 88 -0.458 -0.236 -10.395 1.00 0.00 O ATOM 1227 CB TYR A 88 -2.820 2.095 -10.859 1.00 0.00 C ATOM 1228 CG TYR A 88 -3.385 3.515 -10.770 1.00 0.00 C ATOM 1229 CD1 TYR A 88 -3.708 4.054 -9.542 1.00 0.00 C ATOM 1230 CD2 TYR A 88 -3.572 4.255 -11.919 1.00 0.00 C ATOM 1231 CE1 TYR A 88 -4.240 5.389 -9.459 1.00 0.00 C ATOM 1232 CE2 TYR A 88 -4.104 5.591 -11.836 1.00 0.00 C ATOM 1233 CZ TYR A 88 -4.411 6.091 -10.610 1.00 0.00 C ATOM 1234 OH TYR A 88 -4.914 7.353 -10.532 1.00 0.00 O ATOM 0 H TYR A 88 -0.498 2.109 -11.884 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.536 2.400 -9.107 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.639 1.852 -11.906 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.570 1.393 -10.494 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.562 3.474 -8.643 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.320 3.833 -12.880 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.497 5.823 -8.504 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.255 6.182 -12.727 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.981 7.735 -11.432 1.00 0.00 H new ATOM 1243 N PHE A 89 -2.166 -0.125 -8.917 1.00 0.00 N ATOM 1244 CA PHE A 89 -2.100 -1.533 -8.565 1.00 0.00 C ATOM 1245 C PHE A 89 -3.457 -2.039 -8.072 1.00 0.00 C ATOM 1246 O PHE A 89 -4.176 -1.323 -7.377 1.00 0.00 O ATOM 1247 CB PHE A 89 -1.078 -1.664 -7.434 1.00 0.00 C ATOM 1248 CG PHE A 89 0.240 -0.933 -7.698 1.00 0.00 C ATOM 1249 CD1 PHE A 89 1.220 -1.539 -8.421 1.00 0.00 C ATOM 1250 CD2 PHE A 89 0.432 0.322 -7.210 1.00 0.00 C ATOM 1251 CE1 PHE A 89 2.443 -0.861 -8.667 1.00 0.00 C ATOM 1252 CE2 PHE A 89 1.655 0.999 -7.455 1.00 0.00 C ATOM 1253 CZ PHE A 89 2.634 0.394 -8.178 1.00 0.00 C ATOM 0 H PHE A 89 -2.891 0.402 -8.430 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.818 -2.122 -9.438 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.518 -1.278 -6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.869 -2.721 -7.268 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.068 -2.536 -8.808 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.346 0.803 -6.636 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.221 -1.341 -9.242 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.808 1.995 -7.067 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.564 0.910 -8.364 1.00 0.00 H new ATOM 1262 N ARG A 90 -3.767 -3.271 -8.452 1.00 0.00 N ATOM 1263 CA ARG A 90 -5.024 -3.881 -8.056 1.00 0.00 C ATOM 1264 C ARG A 90 -4.817 -5.362 -7.731 1.00 0.00 C ATOM 1265 O ARG A 90 -4.390 -6.135 -8.587 1.00 0.00 O ATOM 1266 CB ARG A 90 -6.072 -3.751 -9.164 1.00 0.00 C ATOM 1267 CG ARG A 90 -5.785 -4.729 -10.306 1.00 0.00 C ATOM 1268 CD ARG A 90 -6.565 -4.344 -11.566 1.00 0.00 C ATOM 1269 NE ARG A 90 -6.357 -5.361 -12.620 1.00 0.00 N ATOM 1270 CZ ARG A 90 -7.061 -5.417 -13.760 1.00 0.00 C ATOM 1271 NH1 ARG A 90 -8.021 -4.514 -13.998 1.00 0.00 N ATOM 1272 NH2 ARG A 90 -6.803 -6.376 -14.659 1.00 0.00 N ATOM 0 H ARG A 90 -3.169 -3.862 -9.030 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.382 -3.358 -7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.064 -3.944 -8.756 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.077 -2.730 -9.547 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.717 -4.737 -10.523 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.056 -5.740 -10.001 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.627 -4.260 -11.335 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.238 -3.367 -11.922 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.633 -6.064 -12.470 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.216 -3.784 -13.312 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.557 -4.556 -14.865 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.072 -7.063 -14.476 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.338 -6.419 -15.526 1.00 0.00 H new ATOM 1283 N VAL A 91 -5.129 -5.712 -6.492 1.00 0.00 N ATOM 1284 CA VAL A 91 -4.982 -7.086 -6.044 1.00 0.00 C ATOM 1285 C VAL A 91 -6.332 -7.798 -6.144 1.00 0.00 C ATOM 1286 O VAL A 91 -7.373 -7.205 -5.865 1.00 0.00 O ATOM 1287 CB VAL A 91 -4.394 -7.115 -4.631 1.00 0.00 C ATOM 1288 CG1 VAL A 91 -4.261 -8.552 -4.122 1.00 0.00 C ATOM 1289 CG2 VAL A 91 -3.048 -6.390 -4.582 1.00 0.00 C ATOM 0 H VAL A 91 -5.483 -5.068 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.283 -7.624 -6.684 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.083 -6.588 -3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.841 -8.544 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.244 -9.023 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.603 -9.114 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.652 -6.425 -3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.348 -6.876 -5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.183 -5.351 -4.883 1.00 0.00 H new ATOM 1299 N PHE A 92 -6.271 -9.060 -6.543 1.00 0.00 N ATOM 1300 CA PHE A 92 -7.477 -9.859 -6.684 1.00 0.00 C ATOM 1301 C PHE A 92 -7.508 -10.989 -5.654 1.00 0.00 C ATOM 1302 O PHE A 92 -6.669 -11.039 -4.756 1.00 0.00 O ATOM 1303 CB PHE A 92 -7.448 -10.467 -8.089 1.00 0.00 C ATOM 1304 CG PHE A 92 -7.912 -9.511 -9.189 1.00 0.00 C ATOM 1305 CD1 PHE A 92 -9.239 -9.315 -9.405 1.00 0.00 C ATOM 1306 CD2 PHE A 92 -6.994 -8.857 -9.952 1.00 0.00 C ATOM 1307 CE1 PHE A 92 -9.670 -8.428 -10.428 1.00 0.00 C ATOM 1308 CE2 PHE A 92 -7.424 -7.970 -10.974 1.00 0.00 C ATOM 1309 CZ PHE A 92 -8.753 -7.773 -11.190 1.00 0.00 C ATOM 0 H PHE A 92 -5.406 -9.549 -6.773 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.358 -9.236 -6.528 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.433 -10.795 -8.311 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.080 -11.355 -8.103 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.967 -9.834 -8.799 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.939 -9.013 -9.780 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -10.725 -8.274 -10.600 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.696 -7.451 -11.580 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.080 -7.097 -11.966 1.00 0.00 H new ATOM 1318 N SER A 93 -8.487 -11.868 -5.816 1.00 0.00 N ATOM 1319 CA SER A 93 -8.639 -12.994 -4.911 1.00 0.00 C ATOM 1320 C SER A 93 -8.741 -14.296 -5.707 1.00 0.00 C ATOM 1321 O SER A 93 -9.812 -14.645 -6.200 1.00 0.00 O ATOM 1322 CB SER A 93 -9.870 -12.821 -4.019 1.00 0.00 C ATOM 1323 OG SER A 93 -9.768 -11.669 -3.186 1.00 0.00 O ATOM 0 H SER A 93 -9.182 -11.823 -6.561 1.00 0.00 H new ATOM 0 HA SER A 93 -7.760 -13.036 -4.268 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.761 -12.740 -4.642 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.995 -13.708 -3.398 1.00 0.00 H new ATOM 0 HG SER A 93 -10.666 -11.337 -2.976 1.00 0.00 H new ATOM 1328 N GLU A 94 -7.610 -14.980 -5.809 1.00 0.00 N ATOM 1329 CA GLU A 94 -7.557 -16.236 -6.538 1.00 0.00 C ATOM 1330 C GLU A 94 -8.278 -17.335 -5.754 1.00 0.00 C ATOM 1331 O GLU A 94 -8.404 -17.250 -4.533 1.00 0.00 O ATOM 1332 CB GLU A 94 -6.111 -16.636 -6.840 1.00 0.00 C ATOM 1333 CG GLU A 94 -5.870 -16.725 -8.347 1.00 0.00 C ATOM 1334 CD GLU A 94 -5.392 -18.122 -8.745 1.00 0.00 C ATOM 1335 OE1 GLU A 94 -4.481 -18.628 -8.054 1.00 0.00 O ATOM 1336 OE2 GLU A 94 -5.948 -18.654 -9.729 1.00 0.00 O ATOM 0 H GLU A 94 -6.723 -14.688 -5.399 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.068 -16.102 -7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.429 -15.907 -6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.891 -17.597 -6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.790 -16.486 -8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.128 -15.984 -8.644 1.00 0.00 H new ATOM 1341 N ASN A 95 -8.731 -18.341 -6.487 1.00 0.00 N ATOM 1342 CA ASN A 95 -9.436 -19.454 -5.875 1.00 0.00 C ATOM 1343 C ASN A 95 -9.906 -20.417 -6.968 1.00 0.00 C ATOM 1344 O ASN A 95 -9.607 -20.219 -8.146 1.00 0.00 O ATOM 1345 CB ASN A 95 -10.668 -18.972 -5.108 1.00 0.00 C ATOM 1346 CG ASN A 95 -11.407 -17.882 -5.886 1.00 0.00 C ATOM 1347 OD1 ASN A 95 -10.832 -16.902 -6.332 1.00 0.00 O ATOM 1348 ND2 ASN A 95 -12.711 -18.104 -6.025 1.00 0.00 N ATOM 0 H ASN A 95 -8.624 -18.409 -7.499 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.752 -19.947 -5.184 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -11.339 -19.812 -4.926 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.367 -18.587 -4.134 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.292 -17.434 -6.529 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -13.130 -18.944 -5.627 1.00 0.00 H new ATOM 1354 N MET A 96 -10.635 -21.437 -6.540 1.00 0.00 N ATOM 1355 CA MET A 96 -11.149 -22.431 -7.468 1.00 0.00 C ATOM 1356 C MET A 96 -12.052 -21.783 -8.519 1.00 0.00 C ATOM 1357 O MET A 96 -12.201 -22.306 -9.622 1.00 0.00 O ATOM 1358 CB MET A 96 -11.940 -23.488 -6.696 1.00 0.00 C ATOM 1359 CG MET A 96 -13.214 -22.889 -6.096 1.00 0.00 C ATOM 1360 SD MET A 96 -14.626 -23.333 -7.095 1.00 0.00 S ATOM 1361 CE MET A 96 -15.943 -22.710 -6.063 1.00 0.00 C ATOM 0 H MET A 96 -10.882 -21.597 -5.563 1.00 0.00 H new ATOM 0 HA MET A 96 -10.306 -22.897 -7.978 1.00 0.00 H new ATOM 0 HB2 MET A 96 -12.199 -24.311 -7.361 1.00 0.00 H new ATOM 0 HB3 MET A 96 -11.320 -23.903 -5.902 1.00 0.00 H new ATOM 0 HG2 MET A 96 -13.351 -23.251 -5.077 1.00 0.00 H new ATOM 0 HG3 MET A 96 -13.124 -21.804 -6.040 1.00 0.00 H new ATOM 0 HE1 MET A 96 -16.903 -22.905 -6.541 1.00 0.00 H new ATOM 0 HE2 MET A 96 -15.912 -23.208 -5.094 1.00 0.00 H new ATOM 0 HE3 MET A 96 -15.819 -21.636 -5.924 1.00 0.00 H new ATOM 1369 N CYS A 97 -12.633 -20.653 -8.140 1.00 0.00 N ATOM 1370 CA CYS A 97 -13.517 -19.928 -9.036 1.00 0.00 C ATOM 1371 C CYS A 97 -12.661 -19.234 -10.098 1.00 0.00 C ATOM 1372 O CYS A 97 -12.728 -19.576 -11.277 1.00 0.00 O ATOM 1373 CB CYS A 97 -14.403 -18.938 -8.278 1.00 0.00 C ATOM 1374 SG CYS A 97 -16.086 -18.925 -8.998 1.00 0.00 S ATOM 0 H CYS A 97 -12.508 -20.222 -7.224 1.00 0.00 H new ATOM 0 HA CYS A 97 -14.200 -20.626 -9.521 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.451 -19.214 -7.225 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -13.970 -17.939 -8.327 1.00 0.00 H new ATOM 0 HG CYS A 97 -16.831 -18.083 -8.345 1.00 0.00 H new ATOM 1379 N GLY A 98 -11.877 -18.268 -9.640 1.00 0.00 N ATOM 1380 CA GLY A 98 -11.009 -17.522 -10.535 1.00 0.00 C ATOM 1381 C GLY A 98 -10.501 -16.244 -9.866 1.00 0.00 C ATOM 1382 O GLY A 98 -10.045 -16.275 -8.724 1.00 0.00 O ATOM 0 H GLY A 98 -11.825 -17.985 -8.661 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.163 -18.144 -10.829 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.551 -17.269 -11.446 1.00 0.00 H new ATOM 1386 N LEU A 99 -10.596 -15.148 -10.605 1.00 0.00 N ATOM 1387 CA LEU A 99 -10.151 -13.862 -10.098 1.00 0.00 C ATOM 1388 C LEU A 99 -11.368 -13.035 -9.678 1.00 0.00 C ATOM 1389 O LEU A 99 -12.360 -12.972 -10.404 1.00 0.00 O ATOM 1390 CB LEU A 99 -9.256 -13.162 -11.123 1.00 0.00 C ATOM 1391 CG LEU A 99 -7.858 -13.756 -11.309 1.00 0.00 C ATOM 1392 CD1 LEU A 99 -7.077 -13.744 -9.994 1.00 0.00 C ATOM 1393 CD2 LEU A 99 -7.936 -15.158 -11.918 1.00 0.00 C ATOM 0 H LEU A 99 -10.975 -15.125 -11.552 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.534 -13.996 -9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.765 -13.172 -12.087 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.149 -12.118 -10.830 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.311 -13.129 -12.013 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.087 -14.172 -10.155 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.976 -12.718 -9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.610 -14.334 -9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.929 -15.558 -12.040 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.508 -15.810 -11.258 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.426 -15.106 -12.890 1.00 0.00 H new ATOM 1404 N SER A 100 -11.253 -12.422 -8.510 1.00 0.00 N ATOM 1405 CA SER A 100 -12.332 -11.602 -7.985 1.00 0.00 C ATOM 1406 C SER A 100 -12.914 -10.730 -9.098 1.00 0.00 C ATOM 1407 O SER A 100 -12.173 -10.155 -9.894 1.00 0.00 O ATOM 1408 CB SER A 100 -11.848 -10.731 -6.825 1.00 0.00 C ATOM 1409 OG SER A 100 -12.706 -9.616 -6.601 1.00 0.00 O ATOM 0 H SER A 100 -10.429 -12.476 -7.911 1.00 0.00 H new ATOM 0 HA SER A 100 -13.111 -12.263 -7.605 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.792 -11.333 -5.918 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.839 -10.376 -7.035 1.00 0.00 H new ATOM 0 HG SER A 100 -12.179 -8.790 -6.617 1.00 0.00 H new ATOM 1414 N GLU A 101 -14.237 -10.657 -9.119 1.00 0.00 N ATOM 1415 CA GLU A 101 -14.928 -9.863 -10.122 1.00 0.00 C ATOM 1416 C GLU A 101 -14.176 -8.555 -10.373 1.00 0.00 C ATOM 1417 O GLU A 101 -14.055 -8.113 -11.514 1.00 0.00 O ATOM 1418 CB GLU A 101 -16.375 -9.593 -9.705 1.00 0.00 C ATOM 1419 CG GLU A 101 -17.357 -10.269 -10.665 1.00 0.00 C ATOM 1420 CD GLU A 101 -18.519 -9.335 -11.008 1.00 0.00 C ATOM 1421 OE1 GLU A 101 -19.234 -8.946 -10.058 1.00 0.00 O ATOM 1422 OE2 GLU A 101 -18.666 -9.030 -12.211 1.00 0.00 O ATOM 0 H GLU A 101 -14.849 -11.135 -8.458 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.953 -10.429 -11.053 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.540 -9.960 -8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.558 -8.519 -9.688 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.837 -10.559 -11.578 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -17.742 -11.183 -10.213 1.00 0.00 H new ATOM 1427 N ASP A 102 -13.689 -7.971 -9.287 1.00 0.00 N ATOM 1428 CA ASP A 102 -12.952 -6.722 -9.375 1.00 0.00 C ATOM 1429 C ASP A 102 -11.739 -6.784 -8.445 1.00 0.00 C ATOM 1430 O ASP A 102 -11.590 -7.731 -7.675 1.00 0.00 O ATOM 1431 CB ASP A 102 -13.821 -5.539 -8.943 1.00 0.00 C ATOM 1432 CG ASP A 102 -14.728 -4.970 -10.035 1.00 0.00 C ATOM 1433 OD1 ASP A 102 -14.229 -4.114 -10.798 1.00 0.00 O ATOM 1434 OD2 ASP A 102 -15.900 -5.402 -10.082 1.00 0.00 O ATOM 0 H ASP A 102 -13.791 -8.340 -8.342 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.644 -6.584 -10.411 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -14.441 -5.851 -8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -13.170 -4.743 -8.581 1.00 0.00 H new ATOM 1438 N ALA A 103 -10.903 -5.762 -8.547 1.00 0.00 N ATOM 1439 CA ALA A 103 -9.707 -5.687 -7.724 1.00 0.00 C ATOM 1440 C ALA A 103 -9.615 -4.298 -7.090 1.00 0.00 C ATOM 1441 O ALA A 103 -9.726 -3.287 -7.783 1.00 0.00 O ATOM 1442 CB ALA A 103 -8.481 -6.023 -8.575 1.00 0.00 C ATOM 0 H ALA A 103 -11.030 -4.978 -9.187 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.751 -6.415 -6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.584 -5.967 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.582 -7.031 -8.977 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.402 -5.311 -9.396 1.00 0.00 H new ATOM 1448 N THR A 104 -9.415 -4.292 -5.781 1.00 0.00 N ATOM 1449 CA THR A 104 -9.306 -3.044 -5.045 1.00 0.00 C ATOM 1450 C THR A 104 -8.045 -2.286 -5.464 1.00 0.00 C ATOM 1451 O THR A 104 -6.945 -2.611 -5.019 1.00 0.00 O ATOM 1452 CB THR A 104 -9.352 -3.370 -3.552 1.00 0.00 C ATOM 1453 OG1 THR A 104 -10.721 -3.682 -3.306 1.00 0.00 O ATOM 1454 CG2 THR A 104 -9.087 -2.142 -2.676 1.00 0.00 C ATOM 0 H THR A 104 -9.325 -5.133 -5.210 1.00 0.00 H new ATOM 0 HA THR A 104 -10.138 -2.377 -5.272 1.00 0.00 H new ATOM 0 HB THR A 104 -8.617 -4.143 -3.327 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.840 -3.908 -2.360 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.131 -2.428 -1.625 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.099 -1.741 -2.902 1.00 0.00 H new ATOM 0 HG23 THR A 104 -9.842 -1.382 -2.877 1.00 0.00 H new ATOM 1462 N MET A 105 -8.247 -1.290 -6.314 1.00 0.00 N ATOM 1463 CA MET A 105 -7.139 -0.482 -6.797 1.00 0.00 C ATOM 1464 C MET A 105 -6.745 0.579 -5.769 1.00 0.00 C ATOM 1465 O MET A 105 -7.581 1.035 -4.990 1.00 0.00 O ATOM 1466 CB MET A 105 -7.537 0.197 -8.109 1.00 0.00 C ATOM 1467 CG MET A 105 -6.329 0.866 -8.768 1.00 0.00 C ATOM 1468 SD MET A 105 -6.440 2.639 -8.591 1.00 0.00 S ATOM 1469 CE MET A 105 -6.792 3.098 -10.279 1.00 0.00 C ATOM 0 H MET A 105 -9.161 -1.024 -6.681 1.00 0.00 H new ATOM 0 HA MET A 105 -6.282 -1.135 -6.962 1.00 0.00 H new ATOM 0 HB2 MET A 105 -7.965 -0.540 -8.789 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.310 0.941 -7.918 1.00 0.00 H new ATOM 0 HG2 MET A 105 -5.408 0.504 -8.311 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.287 0.600 -9.824 1.00 0.00 H new ATOM 0 HE1 MET A 105 -6.666 4.174 -10.397 1.00 0.00 H new ATOM 0 HE2 MET A 105 -6.108 2.576 -10.948 1.00 0.00 H new ATOM 0 HE3 MET A 105 -7.818 2.824 -10.524 1.00 0.00 H new ATOM 1477 N THR A 106 -5.471 0.944 -5.800 1.00 0.00 N ATOM 1478 CA THR A 106 -4.957 1.945 -4.882 1.00 0.00 C ATOM 1479 C THR A 106 -5.281 3.351 -5.387 1.00 0.00 C ATOM 1480 O THR A 106 -4.617 3.859 -6.290 1.00 0.00 O ATOM 1481 CB THR A 106 -3.458 1.694 -4.701 1.00 0.00 C ATOM 1482 OG1 THR A 106 -2.955 1.630 -6.033 1.00 0.00 O ATOM 1483 CG2 THR A 106 -3.161 0.309 -4.123 1.00 0.00 C ATOM 0 H THR A 106 -4.780 0.564 -6.447 1.00 0.00 H new ATOM 0 HA THR A 106 -5.435 1.868 -3.906 1.00 0.00 H new ATOM 0 HB THR A 106 -3.038 2.457 -4.046 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.357 2.345 -6.569 1.00 0.00 H new ATOM 0 HG21 THR A 106 -2.084 0.183 -4.015 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.637 0.212 -3.147 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.550 -0.457 -4.794 1.00 0.00 H new ATOM 1491 N LYS A 107 -6.303 3.941 -4.784 1.00 0.00 N ATOM 1492 CA LYS A 107 -6.723 5.280 -5.163 1.00 0.00 C ATOM 1493 C LYS A 107 -5.595 6.268 -4.862 1.00 0.00 C ATOM 1494 O LYS A 107 -5.537 7.347 -5.451 1.00 0.00 O ATOM 1495 CB LYS A 107 -8.049 5.635 -4.487 1.00 0.00 C ATOM 1496 CG LYS A 107 -9.165 5.798 -5.521 1.00 0.00 C ATOM 1497 CD LYS A 107 -9.385 7.273 -5.863 1.00 0.00 C ATOM 1498 CE LYS A 107 -9.938 7.431 -7.281 1.00 0.00 C ATOM 1499 NZ LYS A 107 -10.008 8.861 -7.654 1.00 0.00 N ATOM 0 H LYS A 107 -6.852 3.517 -4.036 1.00 0.00 H new ATOM 0 HA LYS A 107 -6.914 5.331 -6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.319 4.855 -3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.936 6.559 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.911 5.245 -6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -10.089 5.369 -5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.077 7.716 -5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.444 7.815 -5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.303 6.896 -7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.930 6.984 -7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.385 8.950 -8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.632 9.363 -6.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.056 9.277 -7.615 1.00 0.00 H new ATOM 1509 N GLU A 108 -4.725 5.865 -3.947 1.00 0.00 N ATOM 1510 CA GLU A 108 -3.603 6.702 -3.562 1.00 0.00 C ATOM 1511 C GLU A 108 -2.493 6.619 -4.612 1.00 0.00 C ATOM 1512 O GLU A 108 -1.808 7.605 -4.877 1.00 0.00 O ATOM 1513 CB GLU A 108 -3.077 6.313 -2.178 1.00 0.00 C ATOM 1514 CG GLU A 108 -3.502 7.336 -1.123 1.00 0.00 C ATOM 1515 CD GLU A 108 -3.003 6.930 0.265 1.00 0.00 C ATOM 1516 OE1 GLU A 108 -1.765 6.891 0.434 1.00 0.00 O ATOM 1517 OE2 GLU A 108 -3.871 6.669 1.125 1.00 0.00 O ATOM 0 H GLU A 108 -4.775 4.969 -3.461 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.949 7.734 -3.507 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.453 5.327 -1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.990 6.243 -2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.106 8.318 -1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.588 7.423 -1.112 1.00 0.00 H new ATOM 1522 N SER A 109 -2.350 5.431 -5.184 1.00 0.00 N ATOM 1523 CA SER A 109 -1.337 5.207 -6.199 1.00 0.00 C ATOM 1524 C SER A 109 0.058 5.360 -5.589 1.00 0.00 C ATOM 1525 O SER A 109 0.195 5.794 -4.446 1.00 0.00 O ATOM 1526 CB SER A 109 -1.511 6.170 -7.375 1.00 0.00 C ATOM 1527 OG SER A 109 -0.630 5.863 -8.452 1.00 0.00 O ATOM 0 H SER A 109 -2.920 4.614 -4.963 1.00 0.00 H new ATOM 0 HA SER A 109 -1.452 4.191 -6.577 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.542 6.129 -7.727 1.00 0.00 H new ATOM 0 HB3 SER A 109 -1.329 7.190 -7.038 1.00 0.00 H new ATOM 0 HG SER A 109 -0.573 4.891 -8.561 1.00 0.00 H new ATOM 1532 N ALA A 110 1.058 4.995 -6.380 1.00 0.00 N ATOM 1533 CA ALA A 110 2.437 5.086 -5.931 1.00 0.00 C ATOM 1534 C ALA A 110 3.208 6.031 -6.855 1.00 0.00 C ATOM 1535 O ALA A 110 3.366 5.752 -8.043 1.00 0.00 O ATOM 1536 CB ALA A 110 3.053 3.687 -5.884 1.00 0.00 C ATOM 0 H ALA A 110 0.940 4.636 -7.328 1.00 0.00 H new ATOM 0 HA ALA A 110 2.485 5.497 -4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.087 3.756 -5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.487 3.063 -5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.024 3.243 -6.879 1.00 0.00 H new ATOM 1542 N VAL A 111 3.666 7.131 -6.275 1.00 0.00 N ATOM 1543 CA VAL A 111 4.416 8.119 -7.032 1.00 0.00 C ATOM 1544 C VAL A 111 5.912 7.838 -6.887 1.00 0.00 C ATOM 1545 O VAL A 111 6.510 8.149 -5.857 1.00 0.00 O ATOM 1546 CB VAL A 111 4.026 9.529 -6.583 1.00 0.00 C ATOM 1547 CG1 VAL A 111 5.104 10.544 -6.966 1.00 0.00 C ATOM 1548 CG2 VAL A 111 2.666 9.930 -7.155 1.00 0.00 C ATOM 0 H VAL A 111 3.532 7.360 -5.290 1.00 0.00 H new ATOM 0 HA VAL A 111 4.174 8.052 -8.093 1.00 0.00 H new ATOM 0 HB VAL A 111 3.943 9.524 -5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.802 11.538 -6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.045 10.273 -6.488 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.234 10.546 -8.048 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.413 10.936 -6.820 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.709 9.910 -8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.905 9.230 -6.809 1.00 0.00 H new ATOM 1558 N ILE A 112 6.477 7.252 -7.934 1.00 0.00 N ATOM 1559 CA ILE A 112 7.892 6.926 -7.936 1.00 0.00 C ATOM 1560 C ILE A 112 8.700 8.175 -7.580 1.00 0.00 C ATOM 1561 O ILE A 112 8.307 9.290 -7.919 1.00 0.00 O ATOM 1562 CB ILE A 112 8.294 6.293 -9.270 1.00 0.00 C ATOM 1563 CG1 ILE A 112 7.333 5.166 -9.653 1.00 0.00 C ATOM 1564 CG2 ILE A 112 9.749 5.819 -9.235 1.00 0.00 C ATOM 1565 CD1 ILE A 112 7.048 4.257 -8.456 1.00 0.00 C ATOM 0 H ILE A 112 5.979 6.995 -8.786 1.00 0.00 H new ATOM 0 HA ILE A 112 8.111 6.177 -7.175 1.00 0.00 H new ATOM 0 HB ILE A 112 8.222 7.055 -10.046 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.399 5.590 -10.023 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.761 4.579 -10.466 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.010 5.373 -10.195 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.404 6.668 -9.040 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.871 5.078 -8.445 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.362 3.465 -8.756 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.981 3.816 -8.104 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.598 4.842 -7.654 1.00 0.00 H new ATOM 1576 N ALA A 113 9.814 7.946 -6.899 1.00 0.00 N ATOM 1577 CA ALA A 113 10.681 9.039 -6.493 1.00 0.00 C ATOM 1578 C ALA A 113 11.832 8.486 -5.652 1.00 0.00 C ATOM 1579 O ALA A 113 11.631 7.595 -4.829 1.00 0.00 O ATOM 1580 CB ALA A 113 9.860 10.089 -5.741 1.00 0.00 C ATOM 0 H ALA A 113 10.136 7.020 -6.618 1.00 0.00 H new ATOM 0 HA ALA A 113 11.116 9.528 -7.364 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.510 10.909 -5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.074 10.472 -6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.410 9.635 -4.858 1.00 0.00 H new