USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 757 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 47 CYS SG : rot -141:sc= -0.576 USER MOD Set 1.2: A 49 HIS : no HE2:sc= -4! C(o=-6.5!,f=-13!) USER MOD Set 1.3: A 50 CYS SG : rot 120:sc= -1.95 USER MOD Set 2.1: A 28 ASN : amide:sc= -0.495 K(o=-1.5,f=-2.9!) USER MOD Set 2.2: A 33 GLN :FLIP amide:sc= -1.05 F(o=-2.9,f=-1.5) USER MOD Set 3.1: A 23 THR OG1 : rot -102:sc= 1.16 USER MOD Set 3.2: A 26 ASN : amide:sc= -0.681! K(o=0.48!,f=-2.3) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -155:sc= 1.55 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -3.05! C(o=-3.1!,f=-3.4!) USER MOD Single : A 54 THR OG1 : rot 92:sc= 1.16 USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= -0.197 (180deg=-0.226) USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= 0.365 (180deg=0.363) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0458) USER MOD Single : A 74 ASN : amide:sc= -6.47! C(o=-6.5!,f=-16!) USER MOD Single : A 77 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0278) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -7.01! C(o=-8.7!,f=-7!) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 53:sc= 1.02 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 74:sc= 0.844 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -2.98! C(o=-3!,f=-2.6!) USER MOD Single : A 100 LYS NZ :NH3+ 177:sc= 0.963 (180deg=0.829) USER MOD Single : A 101 ASN : amide:sc=-0.00912 X(o=-0.0091,f=-0.29) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N ASP A 18 7.740 2.568 -11.681 1.00 0.00 N ATOM 196 CA ASP A 18 7.329 1.169 -11.698 1.00 0.00 C ATOM 197 C ASP A 18 6.161 0.935 -10.744 1.00 0.00 C ATOM 198 O ASP A 18 5.696 -0.194 -10.580 1.00 0.00 O ATOM 199 CB ASP A 18 8.503 0.265 -11.318 1.00 0.00 C ATOM 200 CG ASP A 18 9.607 0.282 -12.357 1.00 0.00 C ATOM 201 OD1 ASP A 18 9.826 1.347 -12.971 1.00 0.00 O ATOM 202 OD2 ASP A 18 10.251 -0.769 -12.557 1.00 0.00 O ATOM 0 HA ASP A 18 7.005 0.923 -12.709 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.907 0.584 -10.357 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.145 -0.756 -11.190 1.00 0.00 H new ATOM 207 N VAL A 19 5.693 2.008 -10.115 1.00 0.00 N ATOM 208 CA VAL A 19 4.580 1.920 -9.178 1.00 0.00 C ATOM 209 C VAL A 19 3.244 1.883 -9.912 1.00 0.00 C ATOM 210 O VAL A 19 2.957 2.745 -10.743 1.00 0.00 O ATOM 211 CB VAL A 19 4.580 3.105 -8.194 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.284 3.138 -7.398 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.782 3.026 -7.266 1.00 0.00 C ATOM 0 H VAL A 19 6.068 2.949 -10.237 1.00 0.00 H new ATOM 0 HA VAL A 19 4.710 0.993 -8.619 1.00 0.00 H new ATOM 0 HB VAL A 19 4.651 4.030 -8.766 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.302 3.982 -6.708 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.441 3.245 -8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.179 2.211 -6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.766 3.871 -6.577 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.744 2.096 -6.700 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.699 3.055 -7.855 1.00 0.00 H new ATOM 223 N ILE A 20 2.431 0.880 -9.600 1.00 0.00 N ATOM 224 CA ILE A 20 1.124 0.732 -10.229 1.00 0.00 C ATOM 225 C ILE A 20 0.077 1.594 -9.531 1.00 0.00 C ATOM 226 O ILE A 20 -0.172 1.438 -8.337 1.00 0.00 O ATOM 227 CB ILE A 20 0.656 -0.735 -10.216 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.606 -1.603 -11.045 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.766 -0.842 -10.746 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.427 -3.087 -10.811 1.00 0.00 C ATOM 0 H ILE A 20 2.654 0.157 -8.915 1.00 0.00 H new ATOM 0 HA ILE A 20 1.232 1.061 -11.262 1.00 0.00 H new ATOM 0 HB ILE A 20 0.668 -1.096 -9.188 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.452 -1.389 -12.103 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.634 -1.328 -10.811 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.083 -1.885 -10.731 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.433 -0.251 -10.119 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.802 -0.467 -11.769 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.132 -3.641 -11.431 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.610 -3.314 -9.761 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.409 -3.376 -11.073 1.00 0.00 H new ATOM 242 N GLU A 21 -0.533 2.502 -10.287 1.00 0.00 N ATOM 243 CA GLU A 21 -1.554 3.388 -9.740 1.00 0.00 C ATOM 244 C GLU A 21 -2.798 2.601 -9.337 1.00 0.00 C ATOM 245 O GLU A 21 -3.654 2.300 -10.171 1.00 0.00 O ATOM 246 CB GLU A 21 -1.927 4.464 -10.762 1.00 0.00 C ATOM 247 CG GLU A 21 -2.623 5.668 -10.151 1.00 0.00 C ATOM 248 CD GLU A 21 -3.304 6.538 -11.189 1.00 0.00 C ATOM 249 OE1 GLU A 21 -4.425 6.187 -11.614 1.00 0.00 O ATOM 250 OE2 GLU A 21 -2.717 7.569 -11.578 1.00 0.00 O ATOM 0 H GLU A 21 -0.338 2.643 -11.278 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.145 3.867 -8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.023 4.797 -11.272 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.577 4.025 -11.519 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.363 5.326 -9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.894 6.265 -9.604 1.00 0.00 H new ATOM 257 N LEU A 22 -2.891 2.269 -8.054 1.00 0.00 N ATOM 258 CA LEU A 22 -4.029 1.516 -7.539 1.00 0.00 C ATOM 259 C LEU A 22 -5.200 2.444 -7.229 1.00 0.00 C ATOM 260 O LEU A 22 -5.023 3.508 -6.635 1.00 0.00 O ATOM 261 CB LEU A 22 -3.628 0.744 -6.281 1.00 0.00 C ATOM 262 CG LEU A 22 -2.691 -0.445 -6.493 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.221 -0.999 -5.158 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.380 -1.528 -7.310 1.00 0.00 C ATOM 0 H LEU A 22 -2.192 2.509 -7.351 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.343 0.809 -8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.150 1.438 -5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.535 0.384 -5.795 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.818 -0.101 -7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.555 -1.845 -5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.688 -0.223 -4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.083 -1.328 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.698 -2.367 -7.451 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.271 -1.870 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.665 -1.125 -8.282 1.00 0.00 H new ATOM 276 N THR A 23 -6.398 2.032 -7.632 1.00 0.00 N ATOM 277 CA THR A 23 -7.598 2.825 -7.397 1.00 0.00 C ATOM 278 C THR A 23 -8.737 1.956 -6.875 1.00 0.00 C ATOM 279 O THR A 23 -8.718 0.730 -6.989 1.00 0.00 O ATOM 280 CB THR A 23 -8.060 3.540 -8.680 1.00 0.00 C ATOM 281 OG1 THR A 23 -9.086 2.777 -9.324 1.00 0.00 O ATOM 282 CG2 THR A 23 -6.894 3.741 -9.637 1.00 0.00 C ATOM 0 H THR A 23 -6.563 1.153 -8.123 1.00 0.00 H new ATOM 0 HA THR A 23 -7.341 3.573 -6.647 1.00 0.00 H new ATOM 0 HB THR A 23 -8.455 4.517 -8.403 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.703 2.287 -10.081 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.244 4.248 -10.536 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.127 4.347 -9.154 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.474 2.772 -9.907 1.00 0.00 H new ATOM 290 N PRO A 24 -9.755 2.603 -6.288 1.00 0.00 N ATOM 291 CA PRO A 24 -10.923 1.909 -5.738 1.00 0.00 C ATOM 292 C PRO A 24 -11.804 1.306 -6.826 1.00 0.00 C ATOM 293 O PRO A 24 -12.968 0.983 -6.588 1.00 0.00 O ATOM 294 CB PRO A 24 -11.674 3.014 -4.992 1.00 0.00 C ATOM 295 CG PRO A 24 -11.265 4.275 -5.672 1.00 0.00 C ATOM 296 CD PRO A 24 -9.844 4.063 -6.117 1.00 0.00 C ATOM 0 HA PRO A 24 -10.637 1.068 -5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.753 2.866 -5.047 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.408 3.030 -3.935 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.913 4.488 -6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.339 5.126 -4.994 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.631 4.590 -7.047 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.132 4.425 -5.375 1.00 0.00 H new ATOM 304 N SER A 25 -11.243 1.157 -8.022 1.00 0.00 N ATOM 305 CA SER A 25 -11.980 0.596 -9.148 1.00 0.00 C ATOM 306 C SER A 25 -11.296 -0.663 -9.672 1.00 0.00 C ATOM 307 O SER A 25 -11.931 -1.517 -10.288 1.00 0.00 O ATOM 308 CB SER A 25 -12.101 1.628 -10.271 1.00 0.00 C ATOM 309 OG SER A 25 -13.193 2.502 -10.044 1.00 0.00 O ATOM 0 H SER A 25 -10.280 1.417 -8.236 1.00 0.00 H new ATOM 0 HA SER A 25 -12.978 0.329 -8.800 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.178 2.204 -10.341 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.231 1.118 -11.225 1.00 0.00 H new ATOM 0 HG SER A 25 -13.248 3.153 -10.774 1.00 0.00 H new ATOM 315 N ASN A 26 -9.994 -0.770 -9.421 1.00 0.00 N ATOM 316 CA ASN A 26 -9.222 -1.924 -9.868 1.00 0.00 C ATOM 317 C ASN A 26 -8.500 -2.581 -8.695 1.00 0.00 C ATOM 318 O ASN A 26 -8.051 -3.723 -8.791 1.00 0.00 O ATOM 319 CB ASN A 26 -8.210 -1.504 -10.935 1.00 0.00 C ATOM 320 CG ASN A 26 -7.754 -0.067 -10.767 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.475 0.868 -11.115 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.553 0.114 -10.232 1.00 0.00 N ATOM 0 H ASN A 26 -9.453 -0.072 -8.911 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.913 -2.649 -10.299 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.344 -2.164 -10.890 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.655 -1.628 -11.922 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.193 1.058 -10.094 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.990 -0.691 -9.958 1.00 0.00 H new ATOM 329 N PHE A 27 -8.392 -1.851 -7.590 1.00 0.00 N ATOM 330 CA PHE A 27 -7.724 -2.363 -6.399 1.00 0.00 C ATOM 331 C PHE A 27 -8.003 -3.852 -6.216 1.00 0.00 C ATOM 332 O PHE A 27 -7.184 -4.584 -5.662 1.00 0.00 O ATOM 333 CB PHE A 27 -8.182 -1.590 -5.160 1.00 0.00 C ATOM 334 CG PHE A 27 -7.387 -1.909 -3.927 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.467 -3.161 -3.339 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.559 -0.957 -3.354 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.737 -3.459 -2.204 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.826 -1.248 -2.220 1.00 0.00 C ATOM 339 CZ PHE A 27 -5.915 -2.500 -1.643 1.00 0.00 C ATOM 0 H PHE A 27 -8.758 -0.904 -7.494 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.650 -2.226 -6.528 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.111 -0.521 -5.362 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.233 -1.810 -4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.108 -3.914 -3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.486 0.024 -3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.809 -4.439 -1.756 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.184 -0.497 -1.785 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.344 -2.729 -0.756 1.00 0.00 H new ATOM 349 N ASN A 28 -9.166 -4.292 -6.684 1.00 0.00 N ATOM 350 CA ASN A 28 -9.555 -5.693 -6.571 1.00 0.00 C ATOM 351 C ASN A 28 -9.021 -6.502 -7.749 1.00 0.00 C ATOM 352 O ASN A 28 -8.519 -7.613 -7.576 1.00 0.00 O ATOM 353 CB ASN A 28 -11.078 -5.817 -6.502 1.00 0.00 C ATOM 354 CG ASN A 28 -11.575 -7.146 -7.038 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.678 -7.340 -8.249 1.00 0.00 O ATOM 356 ND2 ASN A 28 -11.886 -8.069 -6.135 1.00 0.00 N ATOM 0 H ASN A 28 -9.856 -3.699 -7.145 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.123 -6.091 -5.653 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.403 -5.701 -5.468 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.532 -5.006 -7.071 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.226 -8.983 -6.436 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.785 -7.864 -5.141 1.00 0.00 H new ATOM 363 N ARG A 29 -9.132 -5.937 -8.947 1.00 0.00 N ATOM 364 CA ARG A 29 -8.661 -6.606 -10.154 1.00 0.00 C ATOM 365 C ARG A 29 -7.145 -6.491 -10.282 1.00 0.00 C ATOM 366 O ARG A 29 -6.542 -7.080 -11.179 1.00 0.00 O ATOM 367 CB ARG A 29 -9.335 -6.008 -11.390 1.00 0.00 C ATOM 368 CG ARG A 29 -10.699 -6.607 -11.690 1.00 0.00 C ATOM 369 CD ARG A 29 -10.575 -7.976 -12.341 1.00 0.00 C ATOM 370 NE ARG A 29 -11.704 -8.268 -13.220 1.00 0.00 N ATOM 371 CZ ARG A 29 -11.931 -9.464 -13.752 1.00 0.00 C ATOM 372 NH1 ARG A 29 -11.112 -10.474 -13.495 1.00 0.00 N ATOM 373 NH2 ARG A 29 -12.980 -9.651 -14.543 1.00 0.00 N ATOM 0 H ARG A 29 -9.544 -5.018 -9.108 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.923 -7.661 -10.081 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.443 -4.932 -11.250 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.686 -6.153 -12.253 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.271 -6.693 -10.766 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.254 -5.939 -12.348 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.648 -8.023 -12.913 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.511 -8.741 -11.567 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.354 -7.512 -13.437 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.305 -10.334 -12.887 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.289 -11.391 -13.905 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.613 -8.876 -14.743 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.154 -10.570 -14.951 1.00 0.00 H new ATOM 387 N GLU A 30 -6.535 -5.729 -9.380 1.00 0.00 N ATOM 388 CA GLU A 30 -5.090 -5.536 -9.394 1.00 0.00 C ATOM 389 C GLU A 30 -4.429 -6.296 -8.248 1.00 0.00 C ATOM 390 O GLU A 30 -3.438 -7.000 -8.445 1.00 0.00 O ATOM 391 CB GLU A 30 -4.750 -4.047 -9.296 1.00 0.00 C ATOM 392 CG GLU A 30 -4.658 -3.354 -10.645 1.00 0.00 C ATOM 393 CD GLU A 30 -3.385 -3.700 -11.393 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.310 -3.717 -10.758 1.00 0.00 O ATOM 395 OE2 GLU A 30 -3.464 -3.954 -12.613 1.00 0.00 O ATOM 0 H GLU A 30 -7.019 -5.235 -8.630 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.706 -5.927 -10.336 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.508 -3.549 -8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.800 -3.933 -8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.519 -3.633 -11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.707 -2.275 -10.499 1.00 0.00 H new ATOM 402 N VAL A 31 -4.984 -6.148 -7.050 1.00 0.00 N ATOM 403 CA VAL A 31 -4.449 -6.821 -5.871 1.00 0.00 C ATOM 404 C VAL A 31 -5.282 -8.047 -5.513 1.00 0.00 C ATOM 405 O VAL A 31 -4.797 -9.177 -5.571 1.00 0.00 O ATOM 406 CB VAL A 31 -4.402 -5.873 -4.658 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.868 -6.600 -3.433 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.556 -4.648 -4.972 1.00 0.00 C ATOM 0 H VAL A 31 -5.804 -5.568 -6.869 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.435 -7.134 -6.117 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.416 -5.539 -4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.842 -5.915 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.518 -7.443 -3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.861 -6.964 -3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.534 -3.989 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.541 -4.960 -5.217 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.987 -4.116 -5.820 1.00 0.00 H new ATOM 418 N ILE A 32 -6.537 -7.815 -5.143 1.00 0.00 N ATOM 419 CA ILE A 32 -7.438 -8.901 -4.777 1.00 0.00 C ATOM 420 C ILE A 32 -7.424 -10.005 -5.829 1.00 0.00 C ATOM 421 O ILE A 32 -7.594 -11.181 -5.510 1.00 0.00 O ATOM 422 CB ILE A 32 -8.882 -8.398 -4.596 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.921 -7.247 -3.588 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.786 -9.535 -4.145 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.510 -7.653 -2.191 1.00 0.00 C ATOM 0 H ILE A 32 -6.953 -6.885 -5.089 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.080 -9.302 -3.829 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.246 -8.029 -5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.264 -6.449 -3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.930 -6.837 -3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.803 -9.164 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.777 -10.326 -4.895 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.426 -9.931 -3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.561 -6.787 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.182 -8.429 -1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.490 -8.036 -2.209 1.00 0.00 H new ATOM 437 N GLN A 33 -7.218 -9.617 -7.083 1.00 0.00 N ATOM 438 CA GLN A 33 -7.181 -10.574 -8.182 1.00 0.00 C ATOM 439 C GLN A 33 -5.743 -10.918 -8.556 1.00 0.00 C ATOM 440 O GLN A 33 -5.448 -11.222 -9.712 1.00 0.00 O ATOM 441 CB GLN A 33 -7.917 -10.014 -9.400 1.00 0.00 C ATOM 442 CG GLN A 33 -9.427 -9.957 -9.226 1.00 0.00 C ATOM 443 CD GLN A 33 -9.946 -11.026 -8.285 1.00 0.00 C ATOM 444 OE1 GLN A 33 -10.572 -10.601 -7.194 1.00 0.00 O flip ATOM 445 NE2 GLN A 33 -9.785 -12.221 -8.535 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.074 -8.647 -7.363 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.680 -11.486 -7.853 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.546 -9.011 -9.609 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.683 -10.628 -10.270 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.708 -8.975 -8.845 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.906 -10.071 -10.199 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.298 -12.503 -9.386 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.139 -12.929 -7.892 1.00 0.00 H new ATOM 454 N SER A 34 -4.852 -10.867 -7.571 1.00 0.00 N ATOM 455 CA SER A 34 -3.444 -11.169 -7.798 1.00 0.00 C ATOM 456 C SER A 34 -2.949 -12.224 -6.813 1.00 0.00 C ATOM 457 O SER A 34 -2.513 -11.900 -5.707 1.00 0.00 O ATOM 458 CB SER A 34 -2.601 -9.899 -7.669 1.00 0.00 C ATOM 459 OG SER A 34 -1.218 -10.193 -7.759 1.00 0.00 O ATOM 0 H SER A 34 -5.080 -10.619 -6.608 1.00 0.00 H new ATOM 0 HA SER A 34 -3.341 -11.564 -8.809 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.878 -9.194 -8.453 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.812 -9.414 -6.716 1.00 0.00 H new ATOM 0 HG SER A 34 -0.705 -9.493 -7.304 1.00 0.00 H new ATOM 465 N ASP A 35 -3.019 -13.485 -7.222 1.00 0.00 N ATOM 466 CA ASP A 35 -2.578 -14.589 -6.377 1.00 0.00 C ATOM 467 C ASP A 35 -1.207 -14.297 -5.774 1.00 0.00 C ATOM 468 O ASP A 35 -0.846 -14.844 -4.733 1.00 0.00 O ATOM 469 CB ASP A 35 -2.529 -15.888 -7.182 1.00 0.00 C ATOM 470 CG ASP A 35 -2.576 -17.119 -6.299 1.00 0.00 C ATOM 471 OD1 ASP A 35 -2.154 -17.025 -5.127 1.00 0.00 O ATOM 472 OD2 ASP A 35 -3.035 -18.177 -6.779 1.00 0.00 O ATOM 0 H ASP A 35 -3.377 -13.769 -8.134 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.296 -14.702 -5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.367 -15.912 -7.879 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.617 -15.908 -7.779 1.00 0.00 H new ATOM 477 N GLY A 36 -0.446 -13.432 -6.438 1.00 0.00 N ATOM 478 CA GLY A 36 0.877 -13.084 -5.954 1.00 0.00 C ATOM 479 C GLY A 36 0.833 -12.091 -4.811 1.00 0.00 C ATOM 480 O GLY A 36 -0.230 -11.828 -4.247 1.00 0.00 O ATOM 0 H GLY A 36 -0.722 -12.966 -7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.390 -13.988 -5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.462 -12.665 -6.773 1.00 0.00 H new ATOM 484 N LEU A 37 1.991 -11.537 -4.465 1.00 0.00 N ATOM 485 CA LEU A 37 2.081 -10.568 -3.379 1.00 0.00 C ATOM 486 C LEU A 37 1.842 -9.151 -3.892 1.00 0.00 C ATOM 487 O LEU A 37 2.179 -8.829 -5.032 1.00 0.00 O ATOM 488 CB LEU A 37 3.451 -10.654 -2.704 1.00 0.00 C ATOM 489 CG LEU A 37 3.495 -10.273 -1.224 1.00 0.00 C ATOM 490 CD1 LEU A 37 2.921 -11.391 -0.368 1.00 0.00 C ATOM 491 CD2 LEU A 37 4.921 -9.951 -0.799 1.00 0.00 C ATOM 0 H LEU A 37 2.880 -11.743 -4.921 1.00 0.00 H new ATOM 0 HA LEU A 37 1.308 -10.805 -2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.821 -11.674 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.142 -10.008 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 37 2.884 -9.382 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.961 -11.102 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.886 -11.574 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.505 -12.299 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.934 -9.682 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.554 -10.824 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.297 -9.116 -1.391 1.00 0.00 H new ATOM 503 N TRP A 38 1.263 -8.310 -3.044 1.00 0.00 N ATOM 504 CA TRP A 38 0.982 -6.927 -3.411 1.00 0.00 C ATOM 505 C TRP A 38 1.305 -5.981 -2.260 1.00 0.00 C ATOM 506 O TRP A 38 0.906 -6.217 -1.119 1.00 0.00 O ATOM 507 CB TRP A 38 -0.485 -6.773 -3.817 1.00 0.00 C ATOM 508 CG TRP A 38 -0.695 -6.785 -5.301 1.00 0.00 C ATOM 509 CD1 TRP A 38 -0.960 -7.873 -6.083 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.657 -5.656 -6.181 1.00 0.00 C ATOM 511 NE1 TRP A 38 -1.088 -7.488 -7.396 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.907 -6.133 -7.482 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.437 -4.288 -5.996 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.942 -5.291 -8.590 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.471 -3.453 -7.096 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.723 -3.956 -8.380 1.00 0.00 C ATOM 0 H TRP A 38 0.979 -8.561 -2.097 1.00 0.00 H new ATOM 0 HA TRP A 38 1.616 -6.667 -4.259 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -1.065 -7.579 -3.369 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.871 -5.838 -3.410 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.055 -8.887 -5.723 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.286 -8.110 -8.180 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.244 -3.891 -5.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.135 -5.677 -9.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.301 -2.395 -6.965 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.745 -3.277 -9.220 1.00 0.00 H new ATOM 527 N LEU A 39 2.029 -4.910 -2.565 1.00 0.00 N ATOM 528 CA LEU A 39 2.406 -3.928 -1.555 1.00 0.00 C ATOM 529 C LEU A 39 1.717 -2.591 -1.811 1.00 0.00 C ATOM 530 O LEU A 39 2.149 -1.811 -2.660 1.00 0.00 O ATOM 531 CB LEU A 39 3.924 -3.738 -1.541 1.00 0.00 C ATOM 532 CG LEU A 39 4.704 -4.633 -0.578 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.199 -4.505 -0.823 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.367 -4.286 0.865 1.00 0.00 C ATOM 0 H LEU A 39 2.367 -4.700 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 39 2.084 -4.302 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.301 -3.909 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.138 -2.698 -1.293 1.00 0.00 H new ATOM 0 HG LEU A 39 4.414 -5.668 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.738 -5.149 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.427 -4.804 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.505 -3.470 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.932 -4.933 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.628 -3.246 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.300 -4.430 1.034 1.00 0.00 H new ATOM 546 N VAL A 40 0.644 -2.333 -1.070 1.00 0.00 N ATOM 547 CA VAL A 40 -0.103 -1.089 -1.214 1.00 0.00 C ATOM 548 C VAL A 40 0.253 -0.103 -0.107 1.00 0.00 C ATOM 549 O VAL A 40 0.159 -0.423 1.077 1.00 0.00 O ATOM 550 CB VAL A 40 -1.622 -1.342 -1.193 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.380 -0.073 -1.553 1.00 0.00 C ATOM 552 CG2 VAL A 40 -1.987 -2.477 -2.138 1.00 0.00 C ATOM 0 H VAL A 40 0.273 -2.969 -0.364 1.00 0.00 H new ATOM 0 HA VAL A 40 0.174 -0.663 -2.178 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.910 -1.634 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.452 -0.271 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.142 0.710 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.090 0.253 -2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.064 -2.642 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.686 -2.217 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.473 -3.387 -1.829 1.00 0.00 H new ATOM 562 N GLU A 41 0.662 1.099 -0.502 1.00 0.00 N ATOM 563 CA GLU A 41 1.032 2.133 0.457 1.00 0.00 C ATOM 564 C GLU A 41 0.094 3.332 0.354 1.00 0.00 C ATOM 565 O GLU A 41 -0.058 3.925 -0.714 1.00 0.00 O ATOM 566 CB GLU A 41 2.477 2.580 0.226 1.00 0.00 C ATOM 567 CG GLU A 41 2.784 3.959 0.786 1.00 0.00 C ATOM 568 CD GLU A 41 4.272 4.248 0.843 1.00 0.00 C ATOM 569 OE1 GLU A 41 5.040 3.333 1.206 1.00 0.00 O ATOM 570 OE2 GLU A 41 4.667 5.388 0.523 1.00 0.00 O ATOM 0 H GLU A 41 0.745 1.380 -1.479 1.00 0.00 H new ATOM 0 HA GLU A 41 0.945 1.712 1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.150 1.854 0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.683 2.578 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.294 4.714 0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.363 4.042 1.788 1.00 0.00 H new ATOM 577 N PHE A 42 -0.533 3.683 1.472 1.00 0.00 N ATOM 578 CA PHE A 42 -1.458 4.810 1.508 1.00 0.00 C ATOM 579 C PHE A 42 -0.728 6.100 1.869 1.00 0.00 C ATOM 580 O PHE A 42 -0.406 6.340 3.033 1.00 0.00 O ATOM 581 CB PHE A 42 -2.578 4.545 2.516 1.00 0.00 C ATOM 582 CG PHE A 42 -3.387 3.319 2.205 1.00 0.00 C ATOM 583 CD1 PHE A 42 -2.904 2.057 2.513 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.631 3.427 1.603 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.647 0.926 2.228 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.378 2.300 1.316 1.00 0.00 C ATOM 587 CZ PHE A 42 -4.885 1.048 1.628 1.00 0.00 C ATOM 0 H PHE A 42 -0.417 3.203 2.365 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.892 4.924 0.515 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.144 4.441 3.510 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.241 5.410 2.546 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.936 1.956 2.981 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.021 4.403 1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.260 -0.052 2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.346 2.398 0.848 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.467 0.166 1.403 1.00 0.00 H new ATOM 597 N TYR A 43 -0.470 6.928 0.863 1.00 0.00 N ATOM 598 CA TYR A 43 0.224 8.193 1.072 1.00 0.00 C ATOM 599 C TYR A 43 -0.731 9.372 0.912 1.00 0.00 C ATOM 600 O TYR A 43 -1.896 9.197 0.558 1.00 0.00 O ATOM 601 CB TYR A 43 1.389 8.328 0.090 1.00 0.00 C ATOM 602 CG TYR A 43 0.953 8.602 -1.332 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.490 9.857 -1.708 1.00 0.00 C ATOM 604 CD2 TYR A 43 1.003 7.605 -2.299 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.090 10.111 -3.006 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.606 7.851 -3.599 1.00 0.00 C ATOM 607 CZ TYR A 43 0.150 9.105 -3.947 1.00 0.00 C ATOM 608 OH TYR A 43 -0.247 9.354 -5.241 1.00 0.00 O ATOM 0 H TYR A 43 -0.731 6.746 -0.106 1.00 0.00 H new ATOM 0 HA TYR A 43 0.613 8.201 2.090 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.042 9.135 0.423 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.979 7.411 0.110 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.442 10.647 -0.973 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.358 6.621 -2.029 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.268 11.092 -3.282 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.652 7.066 -4.339 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.141 8.541 -5.778 1.00 0.00 H new ATOM 618 N ALA A 44 -0.227 10.573 1.175 1.00 0.00 N ATOM 619 CA ALA A 44 -1.033 11.782 1.058 1.00 0.00 C ATOM 620 C ALA A 44 -0.277 12.876 0.312 1.00 0.00 C ATOM 621 O ALA A 44 0.808 13.298 0.714 1.00 0.00 O ATOM 622 CB ALA A 44 -1.452 12.273 2.436 1.00 0.00 C ATOM 0 H ALA A 44 0.736 10.735 1.471 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.927 11.538 0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.053 13.176 2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.039 11.501 2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.564 12.493 3.029 1.00 0.00 H new ATOM 628 N PRO A 45 -0.860 13.346 -0.801 1.00 0.00 N ATOM 629 CA PRO A 45 -0.257 14.397 -1.626 1.00 0.00 C ATOM 630 C PRO A 45 -0.263 15.755 -0.931 1.00 0.00 C ATOM 631 O PRO A 45 0.145 16.761 -1.511 1.00 0.00 O ATOM 632 CB PRO A 45 -1.151 14.429 -2.868 1.00 0.00 C ATOM 633 CG PRO A 45 -2.465 13.903 -2.403 1.00 0.00 C ATOM 634 CD PRO A 45 -2.152 12.889 -1.338 1.00 0.00 C ATOM 0 HA PRO A 45 0.792 14.193 -1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.246 15.441 -3.261 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.739 13.814 -3.668 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.088 14.705 -2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.016 13.447 -3.226 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.922 12.866 -0.567 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.082 11.882 -1.750 1.00 0.00 H new ATOM 642 N TRP A 46 -0.728 15.775 0.313 1.00 0.00 N ATOM 643 CA TRP A 46 -0.786 17.010 1.087 1.00 0.00 C ATOM 644 C TRP A 46 0.118 16.928 2.312 1.00 0.00 C ATOM 645 O TRP A 46 0.488 17.950 2.891 1.00 0.00 O ATOM 646 CB TRP A 46 -2.225 17.299 1.517 1.00 0.00 C ATOM 647 CG TRP A 46 -2.856 16.171 2.275 1.00 0.00 C ATOM 648 CD1 TRP A 46 -3.838 15.333 1.830 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.550 15.759 3.612 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.161 14.425 2.810 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.384 14.665 3.912 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.651 16.207 4.583 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.345 14.015 5.143 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.613 15.561 5.804 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.455 14.475 6.075 1.00 0.00 C ATOM 0 H TRP A 46 -1.070 14.951 0.807 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.433 17.824 0.453 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.238 18.196 2.136 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.825 17.513 0.633 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.294 15.377 0.852 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.865 13.691 2.730 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.997 17.043 4.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.994 13.178 5.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.922 15.899 6.562 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.401 13.991 7.039 1.00 0.00 H new ATOM 666 N CYS A 47 0.469 15.708 2.702 1.00 0.00 N ATOM 667 CA CYS A 47 1.329 15.493 3.860 1.00 0.00 C ATOM 668 C CYS A 47 2.790 15.751 3.507 1.00 0.00 C ATOM 669 O CYS A 47 3.115 16.082 2.367 1.00 0.00 O ATOM 670 CB CYS A 47 1.164 14.067 4.386 1.00 0.00 C ATOM 671 SG CYS A 47 1.189 13.938 6.190 1.00 0.00 S ATOM 0 H CYS A 47 0.171 14.852 2.233 1.00 0.00 H new ATOM 0 HA CYS A 47 1.032 16.196 4.638 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.222 13.662 4.016 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.961 13.446 3.977 1.00 0.00 H new ATOM 0 HG CYS A 47 1.838 12.867 6.540 1.00 0.00 H new ATOM 677 N GLY A 48 3.668 15.600 4.494 1.00 0.00 N ATOM 678 CA GLY A 48 5.084 15.823 4.268 1.00 0.00 C ATOM 679 C GLY A 48 5.876 14.531 4.235 1.00 0.00 C ATOM 680 O GLY A 48 6.431 14.160 3.199 1.00 0.00 O ATOM 0 H GLY A 48 3.424 15.327 5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.219 16.353 3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.477 16.467 5.055 1.00 0.00 H new ATOM 684 N HIS A 49 5.932 13.843 5.371 1.00 0.00 N ATOM 685 CA HIS A 49 6.664 12.585 5.468 1.00 0.00 C ATOM 686 C HIS A 49 6.248 11.627 4.355 1.00 0.00 C ATOM 687 O HIS A 49 6.945 10.653 4.069 1.00 0.00 O ATOM 688 CB HIS A 49 6.425 11.935 6.831 1.00 0.00 C ATOM 689 CG HIS A 49 4.994 11.976 7.271 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.611 12.282 8.560 1.00 0.00 N ATOM 691 CD2 HIS A 49 3.850 11.748 6.585 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.294 12.239 8.648 1.00 0.00 C ATOM 693 NE2 HIS A 49 2.807 11.917 7.463 1.00 0.00 N ATOM 0 H HIS A 49 5.479 14.135 6.237 1.00 0.00 H new ATOM 0 HA HIS A 49 7.726 12.802 5.359 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.755 10.897 6.792 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.041 12.438 7.577 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.246 12.507 9.326 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.772 11.482 5.541 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.714 12.434 9.538 1.00 0.00 H new ATOM 702 N CYS A 50 5.109 11.911 3.732 1.00 0.00 N ATOM 703 CA CYS A 50 4.600 11.074 2.652 1.00 0.00 C ATOM 704 C CYS A 50 5.196 11.493 1.312 1.00 0.00 C ATOM 705 O CYS A 50 5.664 10.656 0.541 1.00 0.00 O ATOM 706 CB CYS A 50 3.074 11.154 2.593 1.00 0.00 C ATOM 707 SG CYS A 50 2.234 10.208 3.884 1.00 0.00 S ATOM 0 H CYS A 50 4.521 12.714 3.956 1.00 0.00 H new ATOM 0 HA CYS A 50 4.895 10.044 2.854 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.773 12.199 2.669 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.740 10.796 1.619 1.00 0.00 H new ATOM 0 HG CYS A 50 1.512 11.010 4.609 1.00 0.00 H new ATOM 713 N GLN A 51 5.173 12.794 1.042 1.00 0.00 N ATOM 714 CA GLN A 51 5.708 13.324 -0.207 1.00 0.00 C ATOM 715 C GLN A 51 7.172 12.933 -0.380 1.00 0.00 C ATOM 716 O GLN A 51 7.686 12.895 -1.498 1.00 0.00 O ATOM 717 CB GLN A 51 5.568 14.847 -0.241 1.00 0.00 C ATOM 718 CG GLN A 51 4.125 15.326 -0.203 1.00 0.00 C ATOM 719 CD GLN A 51 4.013 16.824 -0.001 1.00 0.00 C ATOM 720 OE1 GLN A 51 5.015 17.540 -0.007 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.789 17.307 0.178 1.00 0.00 N ATOM 0 H GLN A 51 4.790 13.500 1.671 1.00 0.00 H new ATOM 0 HA GLN A 51 5.136 12.895 -1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.106 15.272 0.606 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.045 15.227 -1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.630 15.051 -1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.597 14.814 0.602 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.987 16.677 0.176 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.651 18.308 0.318 1.00 0.00 H new ATOM 730 N ARG A 52 7.838 12.643 0.733 1.00 0.00 N ATOM 731 CA ARG A 52 9.243 12.256 0.704 1.00 0.00 C ATOM 732 C ARG A 52 9.388 10.743 0.569 1.00 0.00 C ATOM 733 O ARG A 52 10.487 10.230 0.355 1.00 0.00 O ATOM 734 CB ARG A 52 9.953 12.736 1.971 1.00 0.00 C ATOM 735 CG ARG A 52 9.906 11.734 3.113 1.00 0.00 C ATOM 736 CD ARG A 52 10.735 12.201 4.299 1.00 0.00 C ATOM 737 NE ARG A 52 10.591 11.314 5.450 1.00 0.00 N ATOM 738 CZ ARG A 52 11.203 10.140 5.555 1.00 0.00 C ATOM 739 NH1 ARG A 52 11.998 9.714 4.583 1.00 0.00 N ATOM 740 NH2 ARG A 52 11.022 9.390 6.635 1.00 0.00 N ATOM 0 H ARG A 52 7.427 12.669 1.666 1.00 0.00 H new ATOM 0 HA ARG A 52 9.705 12.727 -0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.994 12.954 1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.498 13.670 2.300 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.872 11.586 3.426 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.276 10.769 2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.785 12.252 4.010 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.432 13.210 4.579 1.00 0.00 H new ATOM 0 HE ARG A 52 9.987 11.613 6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.141 10.288 3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.467 8.812 4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.412 9.715 7.385 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.493 8.489 6.715 1.00 0.00 H new ATOM 754 N LEU A 53 8.272 10.034 0.697 1.00 0.00 N ATOM 755 CA LEU A 53 8.274 8.579 0.591 1.00 0.00 C ATOM 756 C LEU A 53 7.985 8.137 -0.841 1.00 0.00 C ATOM 757 O LEU A 53 7.888 6.943 -1.127 1.00 0.00 O ATOM 758 CB LEU A 53 7.238 7.977 1.541 1.00 0.00 C ATOM 759 CG LEU A 53 7.203 6.450 1.616 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.565 5.903 2.014 1.00 0.00 C ATOM 761 CD2 LEU A 53 6.134 5.988 2.595 1.00 0.00 C ATOM 0 H LEU A 53 7.354 10.443 0.874 1.00 0.00 H new ATOM 0 HA LEU A 53 9.265 8.221 0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.424 8.366 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.251 8.329 1.240 1.00 0.00 H new ATOM 0 HG LEU A 53 6.954 6.063 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.520 4.815 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.308 6.203 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.845 6.298 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.124 4.899 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.352 6.386 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.159 6.348 2.266 1.00 0.00 H new ATOM 773 N THR A 54 7.850 9.109 -1.738 1.00 0.00 N ATOM 774 CA THR A 54 7.573 8.821 -3.140 1.00 0.00 C ATOM 775 C THR A 54 8.734 8.075 -3.788 1.00 0.00 C ATOM 776 O THR A 54 8.560 7.028 -4.412 1.00 0.00 O ATOM 777 CB THR A 54 7.300 10.112 -3.935 1.00 0.00 C ATOM 778 OG1 THR A 54 6.836 11.141 -3.054 1.00 0.00 O ATOM 779 CG2 THR A 54 6.268 9.867 -5.025 1.00 0.00 C ATOM 0 H THR A 54 7.928 10.102 -1.519 1.00 0.00 H new ATOM 0 HA THR A 54 6.683 8.193 -3.164 1.00 0.00 H new ATOM 0 HB THR A 54 8.232 10.429 -4.403 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.599 11.669 -2.737 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.091 10.792 -5.573 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.637 9.104 -5.710 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.335 9.529 -4.574 1.00 0.00 H new ATOM 787 N PRO A 55 9.949 8.624 -3.637 1.00 0.00 N ATOM 788 CA PRO A 55 11.163 8.026 -4.200 1.00 0.00 C ATOM 789 C PRO A 55 11.553 6.732 -3.494 1.00 0.00 C ATOM 790 O PRO A 55 12.020 5.785 -4.127 1.00 0.00 O ATOM 791 CB PRO A 55 12.228 9.101 -3.971 1.00 0.00 C ATOM 792 CG PRO A 55 11.731 9.884 -2.804 1.00 0.00 C ATOM 793 CD PRO A 55 10.230 9.871 -2.906 1.00 0.00 C ATOM 0 HA PRO A 55 11.033 7.751 -5.247 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.201 8.656 -3.764 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.347 9.734 -4.850 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.062 9.439 -1.866 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.115 10.904 -2.826 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.760 9.875 -1.922 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.856 10.744 -3.441 1.00 0.00 H new ATOM 801 N GLU A 56 11.357 6.698 -2.180 1.00 0.00 N ATOM 802 CA GLU A 56 11.688 5.519 -1.388 1.00 0.00 C ATOM 803 C GLU A 56 10.776 4.349 -1.747 1.00 0.00 C ATOM 804 O GLU A 56 11.212 3.198 -1.787 1.00 0.00 O ATOM 805 CB GLU A 56 11.574 5.830 0.105 1.00 0.00 C ATOM 806 CG GLU A 56 12.639 6.788 0.611 1.00 0.00 C ATOM 807 CD GLU A 56 14.031 6.414 0.140 1.00 0.00 C ATOM 808 OE1 GLU A 56 14.618 5.472 0.713 1.00 0.00 O ATOM 809 OE2 GLU A 56 14.533 7.062 -0.802 1.00 0.00 O ATOM 0 H GLU A 56 10.971 7.473 -1.641 1.00 0.00 H new ATOM 0 HA GLU A 56 12.717 5.238 -1.615 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.590 6.255 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.639 4.899 0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.404 7.798 0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.620 6.804 1.701 1.00 0.00 H new ATOM 816 N TRP A 57 9.510 4.652 -2.005 1.00 0.00 N ATOM 817 CA TRP A 57 8.535 3.626 -2.360 1.00 0.00 C ATOM 818 C TRP A 57 8.741 3.152 -3.794 1.00 0.00 C ATOM 819 O TRP A 57 8.689 1.954 -4.076 1.00 0.00 O ATOM 820 CB TRP A 57 7.113 4.163 -2.186 1.00 0.00 C ATOM 821 CG TRP A 57 6.066 3.092 -2.226 1.00 0.00 C ATOM 822 CD1 TRP A 57 4.999 3.021 -3.076 1.00 0.00 C ATOM 823 CD2 TRP A 57 5.984 1.940 -1.380 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.259 1.894 -2.808 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.843 1.214 -1.773 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.765 1.450 -0.330 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.465 0.027 -1.150 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.389 0.272 0.287 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.248 -0.429 -0.125 1.00 0.00 C ATOM 0 H TRP A 57 9.133 5.599 -1.975 1.00 0.00 H new ATOM 0 HA TRP A 57 8.679 2.776 -1.693 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.046 4.692 -1.235 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.908 4.891 -2.971 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.770 3.744 -3.845 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.412 1.610 -3.300 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.647 1.983 -0.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.585 -0.514 -1.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.985 -0.115 1.101 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.981 -1.348 0.377 1.00 0.00 H new ATOM 840 N LYS A 58 8.976 4.097 -4.697 1.00 0.00 N ATOM 841 CA LYS A 58 9.192 3.776 -6.103 1.00 0.00 C ATOM 842 C LYS A 58 10.337 2.782 -6.265 1.00 0.00 C ATOM 843 O LYS A 58 10.197 1.762 -6.941 1.00 0.00 O ATOM 844 CB LYS A 58 9.492 5.049 -6.898 1.00 0.00 C ATOM 845 CG LYS A 58 8.247 5.770 -7.386 1.00 0.00 C ATOM 846 CD LYS A 58 8.575 7.156 -7.914 1.00 0.00 C ATOM 847 CE LYS A 58 8.456 8.210 -6.824 1.00 0.00 C ATOM 848 NZ LYS A 58 8.418 9.588 -7.387 1.00 0.00 N ATOM 0 H LYS A 58 9.022 5.093 -4.480 1.00 0.00 H new ATOM 0 HA LYS A 58 8.281 3.320 -6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.074 5.728 -6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.113 4.793 -7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.771 5.184 -8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.529 5.851 -6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.587 7.162 -8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.902 7.402 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.552 8.030 -6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.299 8.121 -6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.405 10.280 -6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.260 9.745 -7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.562 9.703 -7.967 1.00 0.00 H new ATOM 862 N LYS A 59 11.469 3.084 -5.639 1.00 0.00 N ATOM 863 CA LYS A 59 12.638 2.215 -5.710 1.00 0.00 C ATOM 864 C LYS A 59 12.251 0.760 -5.468 1.00 0.00 C ATOM 865 O LYS A 59 12.633 -0.128 -6.229 1.00 0.00 O ATOM 866 CB LYS A 59 13.687 2.652 -4.685 1.00 0.00 C ATOM 867 CG LYS A 59 14.622 3.735 -5.194 1.00 0.00 C ATOM 868 CD LYS A 59 15.759 3.995 -4.220 1.00 0.00 C ATOM 869 CE LYS A 59 15.370 5.027 -3.172 1.00 0.00 C ATOM 870 NZ LYS A 59 16.433 5.201 -2.144 1.00 0.00 N ATOM 0 H LYS A 59 11.602 3.924 -5.076 1.00 0.00 H new ATOM 0 HA LYS A 59 13.060 2.298 -6.711 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.180 3.013 -3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.277 1.784 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.030 3.439 -6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.061 4.656 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.039 3.063 -3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.636 4.343 -4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.175 5.983 -3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.443 4.721 -2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.123 5.900 -1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.614 4.291 -1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.306 5.534 -2.600 1.00 0.00 H new ATOM 884 N ALA A 60 11.490 0.524 -4.405 1.00 0.00 N ATOM 885 CA ALA A 60 11.048 -0.823 -4.065 1.00 0.00 C ATOM 886 C ALA A 60 10.199 -1.420 -5.182 1.00 0.00 C ATOM 887 O ALA A 60 10.279 -2.615 -5.464 1.00 0.00 O ATOM 888 CB ALA A 60 10.269 -0.809 -2.758 1.00 0.00 C ATOM 0 H ALA A 60 11.166 1.248 -3.764 1.00 0.00 H new ATOM 0 HA ALA A 60 11.932 -1.448 -3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.945 -1.821 -2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.907 -0.432 -1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.396 -0.164 -2.861 1.00 0.00 H new ATOM 894 N ALA A 61 9.386 -0.580 -5.815 1.00 0.00 N ATOM 895 CA ALA A 61 8.524 -1.026 -6.903 1.00 0.00 C ATOM 896 C ALA A 61 9.345 -1.459 -8.112 1.00 0.00 C ATOM 897 O ALA A 61 8.993 -2.414 -8.805 1.00 0.00 O ATOM 898 CB ALA A 61 7.551 0.078 -7.291 1.00 0.00 C ATOM 0 H ALA A 61 9.306 0.412 -5.593 1.00 0.00 H new ATOM 0 HA ALA A 61 7.957 -1.889 -6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.913 -0.268 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.933 0.338 -6.431 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.108 0.957 -7.616 1.00 0.00 H new ATOM 904 N THR A 62 10.442 -0.751 -8.362 1.00 0.00 N ATOM 905 CA THR A 62 11.312 -1.062 -9.489 1.00 0.00 C ATOM 906 C THR A 62 11.954 -2.435 -9.326 1.00 0.00 C ATOM 907 O THR A 62 12.029 -3.212 -10.277 1.00 0.00 O ATOM 908 CB THR A 62 12.422 -0.005 -9.650 1.00 0.00 C ATOM 909 OG1 THR A 62 11.842 1.298 -9.778 1.00 0.00 O ATOM 910 CG2 THR A 62 13.282 -0.305 -10.868 1.00 0.00 C ATOM 0 H THR A 62 10.749 0.042 -7.799 1.00 0.00 H new ATOM 0 HA THR A 62 10.686 -1.060 -10.381 1.00 0.00 H new ATOM 0 HB THR A 62 13.054 -0.035 -8.763 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.554 1.964 -9.878 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.058 0.454 -10.961 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.745 -1.285 -10.754 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.660 -0.299 -11.763 1.00 0.00 H new ATOM 918 N ALA A 63 12.415 -2.728 -8.114 1.00 0.00 N ATOM 919 CA ALA A 63 13.047 -4.009 -7.827 1.00 0.00 C ATOM 920 C ALA A 63 12.008 -5.117 -7.693 1.00 0.00 C ATOM 921 O ALA A 63 12.142 -6.183 -8.294 1.00 0.00 O ATOM 922 CB ALA A 63 13.884 -3.912 -6.560 1.00 0.00 C ATOM 0 H ALA A 63 12.362 -2.095 -7.316 1.00 0.00 H new ATOM 0 HA ALA A 63 13.700 -4.259 -8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.350 -4.876 -6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.657 -3.155 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.245 -3.635 -5.722 1.00 0.00 H new ATOM 928 N LEU A 64 10.973 -4.858 -6.901 1.00 0.00 N ATOM 929 CA LEU A 64 9.910 -5.834 -6.688 1.00 0.00 C ATOM 930 C LEU A 64 8.867 -5.754 -7.798 1.00 0.00 C ATOM 931 O LEU A 64 7.773 -6.307 -7.677 1.00 0.00 O ATOM 932 CB LEU A 64 9.246 -5.605 -5.330 1.00 0.00 C ATOM 933 CG LEU A 64 10.185 -5.264 -4.172 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.441 -4.495 -3.090 1.00 0.00 C ATOM 935 CD2 LEU A 64 10.806 -6.529 -3.598 1.00 0.00 C ATOM 0 H LEU A 64 10.847 -3.981 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 64 10.355 -6.829 -6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.522 -4.797 -5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.687 -6.502 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 64 10.986 -4.631 -4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.125 -4.261 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.045 -3.570 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.619 -5.103 -2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.471 -6.267 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.018 -7.187 -3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.374 -7.040 -4.375 1.00 0.00 H new ATOM 947 N LYS A 65 9.213 -5.065 -8.879 1.00 0.00 N ATOM 948 CA LYS A 65 8.308 -4.915 -10.013 1.00 0.00 C ATOM 949 C LYS A 65 7.740 -6.265 -10.438 1.00 0.00 C ATOM 950 O LYS A 65 6.524 -6.457 -10.463 1.00 0.00 O ATOM 951 CB LYS A 65 9.037 -4.262 -11.190 1.00 0.00 C ATOM 952 CG LYS A 65 8.341 -4.467 -12.525 1.00 0.00 C ATOM 953 CD LYS A 65 8.857 -3.499 -13.577 1.00 0.00 C ATOM 954 CE LYS A 65 10.115 -4.026 -14.250 1.00 0.00 C ATOM 955 NZ LYS A 65 10.262 -3.502 -15.636 1.00 0.00 N ATOM 0 H LYS A 65 10.114 -4.601 -8.995 1.00 0.00 H new ATOM 0 HA LYS A 65 7.482 -4.274 -9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.132 -3.193 -11.000 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.047 -4.666 -11.250 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.497 -5.491 -12.864 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.267 -4.332 -12.401 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.085 -3.330 -14.328 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.067 -2.535 -13.114 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.988 -3.744 -13.661 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.085 -5.115 -14.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.131 -3.884 -16.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.442 -3.792 -16.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.316 -2.464 -15.611 1.00 0.00 H new ATOM 969 N ASP A 66 8.627 -7.196 -10.771 1.00 0.00 N ATOM 970 CA ASP A 66 8.213 -8.529 -11.193 1.00 0.00 C ATOM 971 C ASP A 66 8.078 -9.462 -9.993 1.00 0.00 C ATOM 972 O ASP A 66 7.430 -10.505 -10.074 1.00 0.00 O ATOM 973 CB ASP A 66 9.218 -9.106 -12.192 1.00 0.00 C ATOM 974 CG ASP A 66 8.968 -8.625 -13.608 1.00 0.00 C ATOM 975 OD1 ASP A 66 9.464 -7.534 -13.960 1.00 0.00 O ATOM 976 OD2 ASP A 66 8.277 -9.340 -14.363 1.00 0.00 O ATOM 0 H ASP A 66 9.637 -7.052 -10.757 1.00 0.00 H new ATOM 0 HA ASP A 66 7.240 -8.444 -11.676 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.227 -8.827 -11.890 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.167 -10.195 -12.167 1.00 0.00 H new ATOM 981 N VAL A 67 8.696 -9.078 -8.880 1.00 0.00 N ATOM 982 CA VAL A 67 8.645 -9.879 -7.663 1.00 0.00 C ATOM 983 C VAL A 67 7.355 -9.625 -6.891 1.00 0.00 C ATOM 984 O VAL A 67 6.528 -10.523 -6.729 1.00 0.00 O ATOM 985 CB VAL A 67 9.846 -9.583 -6.745 1.00 0.00 C ATOM 986 CG1 VAL A 67 10.149 -10.781 -5.858 1.00 0.00 C ATOM 987 CG2 VAL A 67 11.065 -9.199 -7.570 1.00 0.00 C ATOM 0 H VAL A 67 9.237 -8.218 -8.796 1.00 0.00 H new ATOM 0 HA VAL A 67 8.681 -10.924 -7.971 1.00 0.00 H new ATOM 0 HB VAL A 67 9.590 -8.741 -6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.000 -10.553 -5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.279 -11.006 -5.240 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.385 -11.644 -6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.904 -8.993 -6.905 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.325 -10.019 -8.239 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.841 -8.309 -8.158 1.00 0.00 H new ATOM 997 N VAL A 68 7.188 -8.394 -6.417 1.00 0.00 N ATOM 998 CA VAL A 68 5.997 -8.021 -5.663 1.00 0.00 C ATOM 999 C VAL A 68 5.351 -6.767 -6.243 1.00 0.00 C ATOM 1000 O VAL A 68 5.950 -5.692 -6.248 1.00 0.00 O ATOM 1001 CB VAL A 68 6.327 -7.775 -4.179 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.067 -7.419 -3.404 1.00 0.00 C ATOM 1003 CG2 VAL A 68 7.007 -8.995 -3.576 1.00 0.00 C ATOM 0 H VAL A 68 7.862 -7.639 -6.542 1.00 0.00 H new ATOM 0 HA VAL A 68 5.299 -8.855 -5.739 1.00 0.00 H new ATOM 0 HB VAL A 68 7.016 -6.933 -4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.319 -7.249 -2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.626 -6.515 -3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.352 -8.238 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.233 -8.804 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.344 -9.857 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.932 -9.200 -4.115 1.00 0.00 H new ATOM 1013 N LYS A 69 4.124 -6.913 -6.731 1.00 0.00 N ATOM 1014 CA LYS A 69 3.393 -5.793 -7.312 1.00 0.00 C ATOM 1015 C LYS A 69 3.263 -4.649 -6.311 1.00 0.00 C ATOM 1016 O LYS A 69 2.386 -4.664 -5.447 1.00 0.00 O ATOM 1017 CB LYS A 69 2.004 -6.245 -7.768 1.00 0.00 C ATOM 1018 CG LYS A 69 2.025 -7.101 -9.023 1.00 0.00 C ATOM 1019 CD LYS A 69 1.936 -6.251 -10.279 1.00 0.00 C ATOM 1020 CE LYS A 69 2.259 -7.061 -11.525 1.00 0.00 C ATOM 1021 NZ LYS A 69 1.323 -8.206 -11.700 1.00 0.00 N ATOM 0 H LYS A 69 3.614 -7.797 -6.736 1.00 0.00 H new ATOM 0 HA LYS A 69 3.954 -5.435 -8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.531 -6.807 -6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.386 -5.366 -7.948 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.941 -7.692 -9.046 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.193 -7.804 -8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.933 -5.832 -10.366 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.626 -5.411 -10.201 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.210 -6.415 -12.401 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.281 -7.434 -11.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.488 -8.651 -12.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.484 -8.904 -10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.342 -7.863 -11.651 1.00 0.00 H new ATOM 1035 N VAL A 70 4.141 -3.659 -6.433 1.00 0.00 N ATOM 1036 CA VAL A 70 4.123 -2.506 -5.541 1.00 0.00 C ATOM 1037 C VAL A 70 3.287 -1.373 -6.124 1.00 0.00 C ATOM 1038 O VAL A 70 3.743 -0.637 -6.998 1.00 0.00 O ATOM 1039 CB VAL A 70 5.547 -1.989 -5.263 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.505 -0.772 -4.351 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.405 -3.089 -4.658 1.00 0.00 C ATOM 0 H VAL A 70 4.874 -3.632 -7.141 1.00 0.00 H new ATOM 0 HA VAL A 70 3.676 -2.838 -4.604 1.00 0.00 H new ATOM 0 HB VAL A 70 5.996 -1.689 -6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.520 -0.421 -4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.928 0.020 -4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.036 -1.042 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.408 -2.706 -4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.961 -3.423 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.463 -3.928 -5.351 1.00 0.00 H new ATOM 1051 N GLY A 71 2.058 -1.237 -5.633 1.00 0.00 N ATOM 1052 CA GLY A 71 1.177 -0.191 -6.117 1.00 0.00 C ATOM 1053 C GLY A 71 1.244 1.062 -5.267 1.00 0.00 C ATOM 1054 O GLY A 71 2.228 1.292 -4.564 1.00 0.00 O ATOM 0 H GLY A 71 1.658 -1.833 -4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.442 0.056 -7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.152 -0.562 -6.132 1.00 0.00 H new ATOM 1058 N ALA A 72 0.196 1.877 -5.332 1.00 0.00 N ATOM 1059 CA ALA A 72 0.139 3.113 -4.562 1.00 0.00 C ATOM 1060 C ALA A 72 -1.268 3.699 -4.567 1.00 0.00 C ATOM 1061 O ALA A 72 -1.829 3.985 -5.625 1.00 0.00 O ATOM 1062 CB ALA A 72 1.136 4.123 -5.112 1.00 0.00 C ATOM 0 H ALA A 72 -0.626 1.703 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 72 0.404 2.882 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.083 5.042 -4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.143 3.711 -5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.897 4.341 -6.153 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.835 3.875 -3.377 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.178 4.428 -3.245 1.00 0.00 C ATOM 1070 C VAL A 73 -3.159 5.735 -2.461 1.00 0.00 C ATOM 1071 O VAL A 73 -2.673 5.787 -1.332 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.126 3.436 -2.545 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.237 4.181 -1.820 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.701 2.450 -3.550 1.00 0.00 C ATOM 0 H VAL A 73 -1.385 3.643 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.543 4.618 -4.254 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.555 2.874 -1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.897 3.464 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.803 4.843 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.808 4.770 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.368 1.757 -3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.258 2.992 -4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.890 1.893 -4.019 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.692 6.791 -3.068 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.736 8.100 -2.427 1.00 0.00 C ATOM 1086 C ASN A 74 -4.790 8.130 -1.325 1.00 0.00 C ATOM 1087 O ASN A 74 -5.949 8.464 -1.570 1.00 0.00 O ATOM 1088 CB ASN A 74 -4.032 9.188 -3.461 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.175 10.560 -2.832 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -3.914 10.740 -1.643 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.592 11.536 -3.630 1.00 0.00 N ATOM 0 H ASN A 74 -4.099 6.765 -4.003 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.761 8.290 -1.979 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.230 9.212 -4.199 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.949 8.939 -3.994 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.707 12.481 -3.263 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.797 11.341 -4.610 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.379 7.780 -0.110 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.287 7.770 1.030 1.00 0.00 C ATOM 1100 C ALA A 75 -6.159 9.021 1.049 1.00 0.00 C ATOM 1101 O ALA A 75 -7.343 8.959 1.382 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.502 7.652 2.328 1.00 0.00 C ATOM 0 H ALA A 75 -3.423 7.500 0.110 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.942 6.904 0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.192 7.646 3.171 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.927 6.726 2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.823 8.500 2.421 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.567 10.154 0.690 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.291 11.420 0.665 1.00 0.00 C ATOM 1110 C ASP A 76 -7.442 11.369 -0.335 1.00 0.00 C ATOM 1111 O ASP A 76 -8.561 11.782 -0.031 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.342 12.567 0.312 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.034 13.916 0.328 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -6.526 14.317 1.404 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -6.085 14.571 -0.734 1.00 0.00 O ATOM 0 H ASP A 76 -4.588 10.222 0.412 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.705 11.593 1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.512 12.579 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.916 12.392 -0.676 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.158 10.861 -1.530 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.169 10.755 -2.576 1.00 0.00 C ATOM 1122 C LYS A 77 -9.045 9.525 -2.363 1.00 0.00 C ATOM 1123 O LYS A 77 -10.262 9.636 -2.209 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.503 10.688 -3.952 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.453 10.295 -5.069 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.716 9.635 -6.222 1.00 0.00 C ATOM 1127 CE LYS A 77 -7.069 10.666 -7.134 1.00 0.00 C ATOM 1128 NZ LYS A 77 -8.068 11.335 -8.012 1.00 0.00 N ATOM 0 H LYS A 77 -6.236 10.516 -1.798 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.801 11.642 -2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.067 11.660 -4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.683 9.971 -3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.209 9.612 -4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.977 11.180 -5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.952 8.964 -5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.412 9.024 -6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.557 11.415 -6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.311 10.181 -7.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.574 11.916 -8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.643 10.615 -8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.685 11.942 -7.436 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.419 8.352 -2.353 1.00 0.00 N ATOM 1143 CA HIS A 78 -9.143 7.101 -2.157 1.00 0.00 C ATOM 1144 C HIS A 78 -9.407 6.853 -0.675 1.00 0.00 C ATOM 1145 O HIS A 78 -9.293 5.726 -0.195 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.353 5.933 -2.748 1.00 0.00 C ATOM 1147 CG HIS A 78 -7.964 6.136 -4.180 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -6.801 5.886 -4.825 1.00 0.00 N flip ATOM 1149 CD2 HIS A 78 -8.821 6.659 -5.126 1.00 0.00 C flip ATOM 1150 CE1 HIS A 78 -6.974 6.257 -6.136 1.00 0.00 C flip ATOM 1151 NE2 HIS A 78 -8.202 6.719 -6.292 1.00 0.00 N flip ATOM 0 H HIS A 78 -7.413 8.242 -2.478 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.101 7.180 -2.671 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.452 5.777 -2.154 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.949 5.024 -2.667 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.839 6.971 -4.942 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.228 6.183 -6.913 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -8.604 7.063 -7.164 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.761 7.914 0.043 1.00 0.00 N ATOM 1161 CA GLN A 79 -10.040 7.811 1.471 1.00 0.00 C ATOM 1162 C GLN A 79 -10.915 6.598 1.768 1.00 0.00 C ATOM 1163 O GLN A 79 -10.886 6.055 2.873 1.00 0.00 O ATOM 1164 CB GLN A 79 -10.726 9.084 1.971 1.00 0.00 C ATOM 1165 CG GLN A 79 -9.753 10.185 2.363 1.00 0.00 C ATOM 1166 CD GLN A 79 -10.449 11.499 2.660 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -11.677 11.584 2.633 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -9.665 12.532 2.945 1.00 0.00 N ATOM 0 H GLN A 79 -9.861 8.854 -0.340 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.091 7.689 1.993 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.391 9.458 1.193 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.349 8.838 2.831 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.189 9.870 3.241 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.034 10.333 1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.652 12.415 2.956 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.076 13.442 3.153 1.00 0.00 H new ATOM 1177 N SER A 80 -11.692 6.177 0.775 1.00 0.00 N ATOM 1178 CA SER A 80 -12.578 5.030 0.931 1.00 0.00 C ATOM 1179 C SER A 80 -11.777 3.744 1.109 1.00 0.00 C ATOM 1180 O SER A 80 -12.118 2.894 1.932 1.00 0.00 O ATOM 1181 CB SER A 80 -13.504 4.904 -0.280 1.00 0.00 C ATOM 1182 OG SER A 80 -14.462 5.948 -0.300 1.00 0.00 O ATOM 0 H SER A 80 -11.726 6.613 -0.146 1.00 0.00 H new ATOM 0 HA SER A 80 -13.181 5.188 1.825 1.00 0.00 H new ATOM 0 HB2 SER A 80 -12.915 4.929 -1.197 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.012 3.940 -0.254 1.00 0.00 H new ATOM 0 HG SER A 80 -15.041 5.846 -1.084 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.709 3.608 0.331 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.856 2.426 0.400 1.00 0.00 C ATOM 1190 C LEU A 81 -9.166 2.332 1.757 1.00 0.00 C ATOM 1191 O LEU A 81 -9.444 1.429 2.545 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.811 2.461 -0.716 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.342 2.289 -2.139 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.241 2.549 -3.155 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -9.925 0.896 -2.327 1.00 0.00 C ATOM 0 H LEU A 81 -10.413 4.302 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.485 1.545 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.281 3.412 -0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.079 1.676 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.136 3.018 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.638 2.422 -4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.870 3.567 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.425 1.845 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.298 0.792 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.151 0.150 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.744 0.746 -1.624 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.265 3.273 2.024 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.551 3.279 3.287 1.00 0.00 C ATOM 1209 C GLY A 82 -8.454 2.977 4.466 1.00 0.00 C ATOM 1210 O GLY A 82 -8.273 1.974 5.155 1.00 0.00 O ATOM 0 H GLY A 82 -8.017 4.031 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.748 2.542 3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.084 4.253 3.432 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.431 3.848 4.699 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.351 3.653 5.805 1.00 0.00 C ATOM 1216 C GLY A 83 -10.985 2.276 5.795 1.00 0.00 C ATOM 1217 O GLY A 83 -11.213 1.684 6.850 1.00 0.00 O ATOM 0 H GLY A 83 -9.602 4.685 4.142 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.820 3.798 6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.134 4.410 5.761 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.271 1.766 4.602 1.00 0.00 N ATOM 1222 CA GLN A 84 -11.885 0.451 4.461 1.00 0.00 C ATOM 1223 C GLN A 84 -10.985 -0.635 5.042 1.00 0.00 C ATOM 1224 O GLN A 84 -11.449 -1.725 5.377 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.174 0.155 2.988 1.00 0.00 C ATOM 1226 CG GLN A 84 -12.840 -1.192 2.757 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.475 -1.301 1.385 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -14.698 -1.370 1.259 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -12.646 -1.318 0.348 1.00 0.00 N ATOM 0 H GLN A 84 -11.088 2.243 3.719 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.824 0.455 5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.814 0.941 2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.239 0.189 2.429 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.100 -1.984 2.875 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.602 -1.352 3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.639 -1.258 0.499 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.016 -1.391 -0.600 1.00 0.00 H new ATOM 1238 N TYR A 85 -9.698 -0.330 5.159 1.00 0.00 N ATOM 1239 CA TYR A 85 -8.733 -1.281 5.697 1.00 0.00 C ATOM 1240 C TYR A 85 -8.354 -0.920 7.131 1.00 0.00 C ATOM 1241 O TYR A 85 -8.183 -1.796 7.978 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.479 -1.318 4.821 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.652 -2.120 3.551 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.458 -1.657 2.519 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -7.010 -3.341 3.384 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.620 -2.386 1.356 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -7.164 -4.076 2.225 1.00 0.00 C ATOM 1248 CZ TYR A 85 -7.970 -3.595 1.214 1.00 0.00 C ATOM 1249 OH TYR A 85 -8.128 -4.325 0.058 1.00 0.00 O ATOM 0 H TYR A 85 -9.299 0.569 4.888 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.196 -2.268 5.699 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.197 -0.298 4.561 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.655 -1.739 5.398 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -8.967 -0.711 2.627 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.380 -3.722 4.174 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.251 -2.012 0.564 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.656 -5.022 2.111 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.920 -3.761 -0.716 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.227 0.377 7.394 1.00 0.00 N ATOM 1260 CA GLY A 86 -7.871 0.832 8.725 1.00 0.00 C ATOM 1261 C GLY A 86 -6.744 1.846 8.709 1.00 0.00 C ATOM 1262 O GLY A 86 -5.850 1.805 9.555 1.00 0.00 O ATOM 0 H GLY A 86 -8.364 1.120 6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.746 1.274 9.201 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.577 -0.024 9.332 1.00 0.00 H new ATOM 1266 N VAL A 87 -6.785 2.758 7.744 1.00 0.00 N ATOM 1267 CA VAL A 87 -5.760 3.788 7.620 1.00 0.00 C ATOM 1268 C VAL A 87 -6.161 5.055 8.367 1.00 0.00 C ATOM 1269 O VAL A 87 -7.147 5.705 8.020 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.491 4.137 6.145 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.395 5.187 6.036 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -5.123 2.887 5.360 1.00 0.00 C ATOM 0 H VAL A 87 -7.517 2.805 7.036 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.849 3.383 8.061 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.403 4.552 5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.219 5.421 4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.703 6.090 6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.477 4.803 6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.936 3.153 4.319 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.225 2.440 5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.943 2.171 5.410 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.390 5.400 9.392 1.00 0.00 N ATOM 1283 CA GLN A 88 -5.665 6.591 10.188 1.00 0.00 C ATOM 1284 C GLN A 88 -4.527 7.599 10.071 1.00 0.00 C ATOM 1285 O GLN A 88 -4.750 8.809 10.100 1.00 0.00 O ATOM 1286 CB GLN A 88 -5.878 6.212 11.655 1.00 0.00 C ATOM 1287 CG GLN A 88 -7.116 5.362 11.890 1.00 0.00 C ATOM 1288 CD GLN A 88 -7.606 5.428 13.323 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -7.192 4.635 14.170 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -8.492 6.376 13.603 1.00 0.00 N ATOM 0 H GLN A 88 -4.570 4.872 9.691 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.575 7.052 9.803 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.002 5.670 12.013 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.954 7.122 12.249 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.911 5.693 11.222 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.895 4.326 11.633 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.808 7.012 12.870 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.857 6.469 14.551 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.305 7.092 9.939 1.00 0.00 N ATOM 1300 CA GLY A 89 -2.150 7.963 9.820 1.00 0.00 C ATOM 1301 C GLY A 89 -1.177 7.493 8.757 1.00 0.00 C ATOM 1302 O GLY A 89 -0.727 6.347 8.779 1.00 0.00 O ATOM 0 H GLY A 89 -3.094 6.094 9.912 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.483 8.973 9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.637 8.015 10.780 1.00 0.00 H new ATOM 1306 N PHE A 90 -0.852 8.379 7.822 1.00 0.00 N ATOM 1307 CA PHE A 90 0.072 8.049 6.743 1.00 0.00 C ATOM 1308 C PHE A 90 1.463 8.610 7.026 1.00 0.00 C ATOM 1309 O PHE A 90 1.640 9.512 7.845 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.449 8.594 5.412 1.00 0.00 C ATOM 1311 CG PHE A 90 -1.915 8.918 5.429 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -2.830 8.022 5.957 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.378 10.120 4.918 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.180 8.318 5.974 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.727 10.421 4.932 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.629 9.519 5.462 1.00 0.00 C ATOM 0 H PHE A 90 -1.215 9.332 7.789 1.00 0.00 H new ATOM 0 HA PHE A 90 0.144 6.963 6.680 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.110 9.493 5.153 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.256 7.861 4.628 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.485 7.081 6.360 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.677 10.830 4.504 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.883 7.610 6.388 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.075 11.360 4.529 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.683 9.753 5.476 1.00 0.00 H new ATOM 1326 N PRO A 91 2.473 8.063 6.334 1.00 0.00 N ATOM 1327 CA PRO A 91 2.274 6.988 5.358 1.00 0.00 C ATOM 1328 C PRO A 91 1.884 5.670 6.018 1.00 0.00 C ATOM 1329 O PRO A 91 2.286 5.386 7.147 1.00 0.00 O ATOM 1330 CB PRO A 91 3.642 6.864 4.683 1.00 0.00 C ATOM 1331 CG PRO A 91 4.611 7.373 5.693 1.00 0.00 C ATOM 1332 CD PRO A 91 3.889 8.452 6.452 1.00 0.00 C ATOM 0 HA PRO A 91 1.461 7.211 4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.858 5.830 4.413 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.684 7.449 3.764 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.934 6.575 6.361 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.506 7.767 5.211 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.209 8.494 7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.072 9.437 6.023 1.00 0.00 H new ATOM 1340 N THR A 92 1.098 4.867 5.308 1.00 0.00 N ATOM 1341 CA THR A 92 0.653 3.579 5.826 1.00 0.00 C ATOM 1342 C THR A 92 0.826 2.479 4.785 1.00 0.00 C ATOM 1343 O THR A 92 0.033 2.366 3.850 1.00 0.00 O ATOM 1344 CB THR A 92 -0.824 3.629 6.262 1.00 0.00 C ATOM 1345 OG1 THR A 92 -0.933 4.251 7.548 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.419 2.231 6.318 1.00 0.00 C ATOM 0 H THR A 92 0.756 5.086 4.372 1.00 0.00 H new ATOM 0 HA THR A 92 1.273 3.356 6.694 1.00 0.00 H new ATOM 0 HB THR A 92 -1.378 4.213 5.527 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.798 5.217 7.457 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.462 2.292 6.628 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.360 1.771 5.332 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.862 1.627 7.034 1.00 0.00 H new ATOM 1354 N ILE A 93 1.867 1.670 4.953 1.00 0.00 N ATOM 1355 CA ILE A 93 2.142 0.578 4.029 1.00 0.00 C ATOM 1356 C ILE A 93 1.435 -0.702 4.464 1.00 0.00 C ATOM 1357 O ILE A 93 1.428 -1.049 5.645 1.00 0.00 O ATOM 1358 CB ILE A 93 3.653 0.303 3.916 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.389 1.561 3.449 1.00 0.00 C ATOM 1360 CG2 ILE A 93 3.911 -0.854 2.962 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.809 1.655 3.960 1.00 0.00 C ATOM 0 H ILE A 93 2.534 1.751 5.721 1.00 0.00 H new ATOM 0 HA ILE A 93 1.763 0.887 3.055 1.00 0.00 H new ATOM 0 HB ILE A 93 4.032 0.028 4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.402 1.581 2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.834 2.440 3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.983 -1.036 2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.414 -1.750 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.521 -0.606 1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.269 2.571 3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.803 1.667 5.050 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.380 0.795 3.609 1.00 0.00 H new ATOM 1373 N LYS A 94 0.843 -1.400 3.502 1.00 0.00 N ATOM 1374 CA LYS A 94 0.135 -2.644 3.783 1.00 0.00 C ATOM 1375 C LYS A 94 0.612 -3.762 2.860 1.00 0.00 C ATOM 1376 O LYS A 94 0.826 -3.545 1.667 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.373 -2.444 3.622 1.00 0.00 C ATOM 1378 CG LYS A 94 -2.021 -1.732 4.797 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.248 -2.678 5.965 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.193 -2.076 6.994 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.372 -2.969 8.172 1.00 0.00 N ATOM 0 H LYS A 94 0.839 -1.126 2.520 1.00 0.00 H new ATOM 0 HA LYS A 94 0.349 -2.930 4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.560 -1.872 2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.848 -3.416 3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.388 -0.904 5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.973 -1.304 4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.659 -3.619 5.598 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.294 -2.910 6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.804 -1.113 7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.162 -1.887 6.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.023 -2.523 8.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.767 -3.879 7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.452 -3.129 8.629 1.00 0.00 H new ATOM 1395 N ILE A 95 0.775 -4.956 3.420 1.00 0.00 N ATOM 1396 CA ILE A 95 1.223 -6.107 2.647 1.00 0.00 C ATOM 1397 C ILE A 95 0.060 -7.037 2.322 1.00 0.00 C ATOM 1398 O ILE A 95 -0.775 -7.329 3.179 1.00 0.00 O ATOM 1399 CB ILE A 95 2.307 -6.902 3.397 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.529 -6.018 3.660 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.702 -8.138 2.604 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.324 -6.432 4.878 1.00 0.00 C ATOM 0 H ILE A 95 0.603 -5.151 4.406 1.00 0.00 H new ATOM 0 HA ILE A 95 1.645 -5.719 1.720 1.00 0.00 H new ATOM 0 HB ILE A 95 1.902 -7.224 4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.180 -6.043 2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.201 -4.986 3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.469 -8.689 3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.829 -8.775 2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.092 -7.837 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.174 -5.762 5.003 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.689 -6.380 5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.683 -7.453 4.748 1.00 0.00 H new ATOM 1414 N PHE A 96 0.011 -7.503 1.078 1.00 0.00 N ATOM 1415 CA PHE A 96 -1.050 -8.402 0.639 1.00 0.00 C ATOM 1416 C PHE A 96 -0.478 -9.754 0.221 1.00 0.00 C ATOM 1417 O PHE A 96 0.486 -9.824 -0.540 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.824 -7.781 -0.526 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.766 -6.690 -0.104 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.281 -5.477 0.357 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.138 -6.877 -0.170 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.145 -4.470 0.745 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -5.007 -5.874 0.216 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.510 -4.670 0.676 1.00 0.00 C ATOM 0 H PHE A 96 0.694 -7.273 0.356 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.730 -8.558 1.476 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.115 -7.379 -1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.389 -8.562 -1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.215 -5.316 0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.532 -7.817 -0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.753 -3.529 1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.074 -6.031 0.158 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.188 -3.886 0.981 1.00 0.00 H new ATOM 1434 N GLY A 97 -1.082 -10.826 0.725 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.620 -12.162 0.394 1.00 0.00 C ATOM 1436 C GLY A 97 -1.559 -13.241 0.896 1.00 0.00 C ATOM 1437 O GLY A 97 -2.475 -13.655 0.187 1.00 0.00 O ATOM 0 H GLY A 97 -1.883 -10.793 1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.516 -12.250 -0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.370 -12.318 0.823 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.329 -13.699 2.123 1.00 0.00 N ATOM 1442 CA ALA A 98 -2.162 -14.736 2.719 1.00 0.00 C ATOM 1443 C ALA A 98 -3.642 -14.445 2.499 1.00 0.00 C ATOM 1444 O ALA A 98 -4.332 -15.185 1.799 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.862 -14.864 4.205 1.00 0.00 C ATOM 0 H ALA A 98 -0.573 -13.368 2.723 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.928 -15.682 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.491 -15.642 4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.813 -15.127 4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.066 -13.915 4.701 1.00 0.00 H new ATOM 1451 N ASN A 99 -4.124 -13.364 3.103 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.525 -12.976 2.974 1.00 0.00 C ATOM 1453 C ASN A 99 -5.653 -11.625 2.278 1.00 0.00 C ATOM 1454 O ASN A 99 -5.515 -10.575 2.906 1.00 0.00 O ATOM 1455 CB ASN A 99 -6.188 -12.919 4.351 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.700 -12.847 4.261 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.293 -13.230 3.252 1.00 0.00 O ATOM 1458 ND2 ASN A 99 -8.333 -12.353 5.320 1.00 0.00 N ATOM 0 H ASN A 99 -3.566 -12.741 3.687 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.030 -13.726 2.366 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.902 -13.800 4.926 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.817 -12.050 4.894 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.350 -12.279 5.318 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.801 -12.047 6.135 1.00 0.00 H new ATOM 1465 N LYS A 100 -5.918 -11.658 0.977 1.00 0.00 N ATOM 1466 CA LYS A 100 -6.068 -10.437 0.194 1.00 0.00 C ATOM 1467 C LYS A 100 -7.112 -9.516 0.817 1.00 0.00 C ATOM 1468 O LYS A 100 -7.111 -8.309 0.576 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.464 -10.774 -1.245 1.00 0.00 C ATOM 1470 CG LYS A 100 -5.294 -11.203 -2.114 1.00 0.00 C ATOM 1471 CD LYS A 100 -4.235 -10.117 -2.198 1.00 0.00 C ATOM 1472 CE LYS A 100 -3.213 -10.418 -3.283 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.364 -11.591 -2.935 1.00 0.00 N ATOM 0 H LYS A 100 -6.034 -12.518 0.441 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.109 -9.919 0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.207 -11.572 -1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.940 -9.903 -1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.852 -12.113 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.652 -11.442 -3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.711 -9.158 -2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.730 -10.025 -1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.728 -10.609 -4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.580 -9.544 -3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.715 -11.795 -3.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.814 -11.380 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.969 -12.419 -2.762 1.00 0.00 H new ATOM 1487 N ASN A 101 -7.999 -10.093 1.621 1.00 0.00 N ATOM 1488 CA ASN A 101 -9.048 -9.323 2.279 1.00 0.00 C ATOM 1489 C ASN A 101 -8.510 -8.623 3.524 1.00 0.00 C ATOM 1490 O ASN A 101 -9.007 -7.570 3.922 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.217 -10.234 2.659 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.205 -10.410 1.522 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -11.658 -9.436 0.921 1.00 0.00 O ATOM 1494 ND2 ASN A 101 -11.545 -11.659 1.222 1.00 0.00 N ATOM 0 H ASN A 101 -8.012 -11.091 1.832 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.399 -8.564 1.580 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.832 -11.209 2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.733 -9.817 3.524 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -12.206 -11.840 0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -11.145 -12.437 1.747 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.489 -9.216 4.134 1.00 0.00 N ATOM 1502 CA LYS A 102 -6.880 -8.651 5.332 1.00 0.00 C ATOM 1503 C LYS A 102 -5.358 -8.688 5.238 1.00 0.00 C ATOM 1504 O LYS A 102 -4.716 -9.686 5.569 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.344 -9.415 6.574 1.00 0.00 C ATOM 1506 CG LYS A 102 -8.838 -9.688 6.597 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.249 -10.437 7.854 1.00 0.00 C ATOM 1508 CE LYS A 102 -10.514 -11.250 7.629 1.00 0.00 C ATOM 1509 NZ LYS A 102 -10.593 -12.419 8.548 1.00 0.00 N ATOM 0 H LYS A 102 -7.066 -10.089 3.818 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.196 -7.611 5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.809 -10.363 6.628 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.073 -8.845 7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.382 -8.745 6.540 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.116 -10.270 5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.441 -11.098 8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.411 -9.727 8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.386 -10.613 7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.544 -11.597 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.469 -12.947 8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.774 -13.041 8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.591 -12.087 9.533 1.00 0.00 H new ATOM 1523 N PRO A 103 -4.765 -7.577 4.778 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.311 -7.458 4.633 1.00 0.00 C ATOM 1525 C PRO A 103 -2.597 -7.400 5.978 1.00 0.00 C ATOM 1526 O PRO A 103 -3.236 -7.346 7.028 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.137 -6.137 3.877 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.358 -5.349 4.207 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.468 -6.350 4.365 1.00 0.00 C ATOM 0 HA PRO A 103 -2.881 -8.318 4.120 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.233 -5.617 4.192 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.051 -6.304 2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.216 -4.776 5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.587 -4.635 3.416 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.193 -6.031 5.114 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.015 -6.494 3.433 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.268 -7.410 5.939 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.468 -7.359 7.157 1.00 0.00 C ATOM 1539 C GLU A 104 0.052 -5.946 7.407 1.00 0.00 C ATOM 1540 O GLU A 104 0.161 -5.140 6.483 1.00 0.00 O ATOM 1541 CB GLU A 104 0.706 -8.336 7.063 1.00 0.00 C ATOM 1542 CG GLU A 104 0.294 -9.747 6.679 1.00 0.00 C ATOM 1543 CD GLU A 104 1.462 -10.714 6.672 1.00 0.00 C ATOM 1544 OE1 GLU A 104 2.603 -10.263 6.442 1.00 0.00 O ATOM 1545 OE2 GLU A 104 1.235 -11.921 6.896 1.00 0.00 O ATOM 0 H GLU A 104 -0.723 -7.453 5.078 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.106 -7.647 7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.421 -7.963 6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.221 -8.365 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.463 -10.103 7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.166 -9.731 5.691 1.00 0.00 H new ATOM 1552 N ASP A 105 0.370 -5.653 8.664 1.00 0.00 N ATOM 1553 CA ASP A 105 0.878 -4.338 9.037 1.00 0.00 C ATOM 1554 C ASP A 105 2.355 -4.205 8.681 1.00 0.00 C ATOM 1555 O ASP A 105 3.211 -4.850 9.287 1.00 0.00 O ATOM 1556 CB ASP A 105 0.678 -4.098 10.534 1.00 0.00 C ATOM 1557 CG ASP A 105 0.871 -5.358 11.354 1.00 0.00 C ATOM 1558 OD1 ASP A 105 1.650 -6.233 10.922 1.00 0.00 O ATOM 1559 OD2 ASP A 105 0.243 -5.470 12.428 1.00 0.00 O ATOM 0 H ASP A 105 0.285 -6.308 9.441 1.00 0.00 H new ATOM 0 HA ASP A 105 0.319 -3.587 8.478 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.380 -3.336 10.874 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -0.325 -3.707 10.705 1.00 0.00 H new ATOM 1564 N TYR A 106 2.647 -3.366 7.693 1.00 0.00 N ATOM 1565 CA TYR A 106 4.020 -3.151 7.253 1.00 0.00 C ATOM 1566 C TYR A 106 4.868 -2.566 8.379 1.00 0.00 C ATOM 1567 O TYR A 106 4.763 -1.382 8.698 1.00 0.00 O ATOM 1568 CB TYR A 106 4.049 -2.219 6.041 1.00 0.00 C ATOM 1569 CG TYR A 106 5.445 -1.916 5.543 1.00 0.00 C ATOM 1570 CD1 TYR A 106 6.050 -2.718 4.584 1.00 0.00 C ATOM 1571 CD2 TYR A 106 6.157 -0.827 6.031 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.325 -2.446 4.127 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.431 -0.547 5.579 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.012 -1.359 4.628 1.00 0.00 C ATOM 1575 OH TYR A 106 9.281 -1.084 4.174 1.00 0.00 O ATOM 0 H TYR A 106 1.951 -2.824 7.182 1.00 0.00 H new ATOM 0 HA TYR A 106 4.440 -4.117 6.971 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.474 -2.670 5.232 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.554 -1.283 6.301 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.515 -3.569 4.189 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.706 -0.189 6.777 1.00 0.00 H new ATOM 0 HE1 TYR A 106 7.782 -3.080 3.382 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.970 0.304 5.968 1.00 0.00 H new ATOM 0 HH TYR A 106 9.624 -0.285 4.626 1.00 0.00 H new ATOM 1654 N GLY A 112 13.661 2.478 -0.066 1.00 0.00 N ATOM 1655 CA GLY A 112 13.647 1.612 -1.230 1.00 0.00 C ATOM 1656 C GLY A 112 14.383 0.308 -0.992 1.00 0.00 C ATOM 1657 O GLY A 112 14.107 -0.696 -1.647 1.00 0.00 O ATOM 0 HA2 GLY A 112 12.615 1.398 -1.507 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.101 2.134 -2.072 1.00 0.00 H new ATOM 1661 N GLU A 113 15.322 0.324 -0.051 1.00 0.00 N ATOM 1662 CA GLU A 113 16.101 -0.867 0.269 1.00 0.00 C ATOM 1663 C GLU A 113 15.321 -1.793 1.199 1.00 0.00 C ATOM 1664 O GLU A 113 15.096 -2.960 0.883 1.00 0.00 O ATOM 1665 CB GLU A 113 17.429 -0.474 0.919 1.00 0.00 C ATOM 1666 CG GLU A 113 17.929 0.898 0.502 1.00 0.00 C ATOM 1667 CD GLU A 113 19.442 0.997 0.516 1.00 0.00 C ATOM 1668 OE1 GLU A 113 20.042 0.775 1.588 1.00 0.00 O ATOM 1669 OE2 GLU A 113 20.027 1.297 -0.547 1.00 0.00 O ATOM 0 H GLU A 113 15.562 1.147 0.502 1.00 0.00 H new ATOM 0 HA GLU A 113 16.303 -1.400 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.314 -0.495 2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.183 -1.219 0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.563 1.125 -0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 113 17.513 1.651 1.172 1.00 0.00 H new ATOM 1676 N ALA A 114 14.913 -1.262 2.347 1.00 0.00 N ATOM 1677 CA ALA A 114 14.158 -2.039 3.322 1.00 0.00 C ATOM 1678 C ALA A 114 12.944 -2.698 2.676 1.00 0.00 C ATOM 1679 O ALA A 114 12.748 -3.909 2.792 1.00 0.00 O ATOM 1680 CB ALA A 114 13.726 -1.155 4.482 1.00 0.00 C ATOM 0 H ALA A 114 15.093 -0.297 2.624 1.00 0.00 H new ATOM 0 HA ALA A 114 14.807 -2.827 3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.163 -1.749 5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.607 -0.735 4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.098 -0.346 4.109 1.00 0.00 H new ATOM 1686 N ILE A 115 12.131 -1.895 1.998 1.00 0.00 N ATOM 1687 CA ILE A 115 10.936 -2.401 1.335 1.00 0.00 C ATOM 1688 C ILE A 115 11.253 -3.635 0.497 1.00 0.00 C ATOM 1689 O ILE A 115 10.541 -4.638 0.554 1.00 0.00 O ATOM 1690 CB ILE A 115 10.298 -1.331 0.430 1.00 0.00 C ATOM 1691 CG1 ILE A 115 9.999 -0.064 1.235 1.00 0.00 C ATOM 1692 CG2 ILE A 115 9.028 -1.868 -0.212 1.00 0.00 C ATOM 1693 CD1 ILE A 115 10.114 1.208 0.424 1.00 0.00 C ATOM 0 H ILE A 115 12.278 -0.891 1.893 1.00 0.00 H new ATOM 0 HA ILE A 115 10.230 -2.669 2.121 1.00 0.00 H new ATOM 0 HB ILE A 115 11.003 -1.079 -0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 115 8.992 -0.134 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.685 -0.010 2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.589 -1.100 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.267 -2.745 -0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.316 -2.145 0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.889 2.065 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 115 11.128 1.301 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.408 1.175 -0.406 1.00 0.00 H new ATOM 1705 N VAL A 116 12.329 -3.556 -0.280 1.00 0.00 N ATOM 1706 CA VAL A 116 12.744 -4.667 -1.128 1.00 0.00 C ATOM 1707 C VAL A 116 12.895 -5.950 -0.318 1.00 0.00 C ATOM 1708 O VAL A 116 12.500 -7.027 -0.763 1.00 0.00 O ATOM 1709 CB VAL A 116 14.075 -4.363 -1.841 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.610 -5.610 -2.527 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.897 -3.229 -2.839 1.00 0.00 C ATOM 0 H VAL A 116 12.929 -2.733 -0.340 1.00 0.00 H new ATOM 0 HA VAL A 116 11.963 -4.803 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 116 14.804 -4.048 -1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.551 -5.376 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.777 -6.390 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.886 -5.959 -3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.847 -3.027 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.153 -3.513 -3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.563 -2.333 -2.316 1.00 0.00 H new ATOM 1721 N ASP A 117 13.468 -5.826 0.874 1.00 0.00 N ATOM 1722 CA ASP A 117 13.671 -6.975 1.748 1.00 0.00 C ATOM 1723 C ASP A 117 12.352 -7.426 2.368 1.00 0.00 C ATOM 1724 O ASP A 117 12.127 -8.618 2.573 1.00 0.00 O ATOM 1725 CB ASP A 117 14.676 -6.634 2.850 1.00 0.00 C ATOM 1726 CG ASP A 117 15.445 -7.850 3.329 1.00 0.00 C ATOM 1727 OD1 ASP A 117 14.897 -8.612 4.153 1.00 0.00 O ATOM 1728 OD2 ASP A 117 16.594 -8.040 2.878 1.00 0.00 O ATOM 0 H ASP A 117 13.800 -4.941 1.257 1.00 0.00 H new ATOM 0 HA ASP A 117 14.067 -7.792 1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.378 -5.887 2.479 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.149 -6.186 3.692 1.00 0.00 H new ATOM 1733 N ALA A 118 11.484 -6.464 2.664 1.00 0.00 N ATOM 1734 CA ALA A 118 10.187 -6.762 3.259 1.00 0.00 C ATOM 1735 C ALA A 118 9.302 -7.537 2.288 1.00 0.00 C ATOM 1736 O ALA A 118 8.669 -8.523 2.662 1.00 0.00 O ATOM 1737 CB ALA A 118 9.498 -5.477 3.693 1.00 0.00 C ATOM 0 H ALA A 118 11.656 -5.472 2.501 1.00 0.00 H new ATOM 0 HA ALA A 118 10.353 -7.387 4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.531 -5.714 4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.117 -4.963 4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.352 -4.832 2.827 1.00 0.00 H new ATOM 1743 N ALA A 119 9.264 -7.083 1.039 1.00 0.00 N ATOM 1744 CA ALA A 119 8.458 -7.735 0.014 1.00 0.00 C ATOM 1745 C ALA A 119 8.903 -9.177 -0.200 1.00 0.00 C ATOM 1746 O ALA A 119 8.076 -10.082 -0.321 1.00 0.00 O ATOM 1747 CB ALA A 119 8.535 -6.957 -1.291 1.00 0.00 C ATOM 0 H ALA A 119 9.782 -6.267 0.713 1.00 0.00 H new ATOM 0 HA ALA A 119 7.423 -7.750 0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.929 -7.455 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.161 -5.945 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.571 -6.913 -1.628 1.00 0.00 H new ATOM 1753 N LEU A 120 10.215 -9.385 -0.247 1.00 0.00 N ATOM 1754 CA LEU A 120 10.771 -10.719 -0.447 1.00 0.00 C ATOM 1755 C LEU A 120 10.421 -11.636 0.720 1.00 0.00 C ATOM 1756 O LEU A 120 9.814 -12.691 0.534 1.00 0.00 O ATOM 1757 CB LEU A 120 12.290 -10.640 -0.612 1.00 0.00 C ATOM 1758 CG LEU A 120 12.794 -9.880 -1.839 1.00 0.00 C ATOM 1759 CD1 LEU A 120 14.167 -9.284 -1.571 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.835 -10.795 -3.054 1.00 0.00 C ATOM 0 H LEU A 120 10.913 -8.647 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 120 10.334 -11.136 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.708 -10.170 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.684 -11.655 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 120 12.101 -9.065 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.509 -8.747 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 120 14.106 -8.595 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 120 14.871 -10.083 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 120 13.196 -10.237 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.505 -11.632 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.833 -11.173 -3.259 1.00 0.00 H new ATOM 1772 N SER A 121 10.806 -11.226 1.924 1.00 0.00 N ATOM 1773 CA SER A 121 10.535 -12.011 3.122 1.00 0.00 C ATOM 1774 C SER A 121 9.098 -12.525 3.121 1.00 0.00 C ATOM 1775 O SER A 121 8.844 -13.691 3.418 1.00 0.00 O ATOM 1776 CB SER A 121 10.788 -11.172 4.376 1.00 0.00 C ATOM 1777 OG SER A 121 11.194 -11.987 5.462 1.00 0.00 O ATOM 0 H SER A 121 11.307 -10.354 2.096 1.00 0.00 H new ATOM 0 HA SER A 121 11.209 -12.868 3.125 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.556 -10.427 4.170 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.881 -10.630 4.643 1.00 0.00 H new ATOM 0 HG SER A 121 11.351 -11.427 6.251 1.00 0.00 H new ATOM 1783 N ALA A 122 8.162 -11.643 2.785 1.00 0.00 N ATOM 1784 CA ALA A 122 6.751 -12.006 2.744 1.00 0.00 C ATOM 1785 C ALA A 122 6.452 -12.915 1.556 1.00 0.00 C ATOM 1786 O ALA A 122 5.741 -13.912 1.686 1.00 0.00 O ATOM 1787 CB ALA A 122 5.886 -10.756 2.685 1.00 0.00 C ATOM 0 H ALA A 122 8.356 -10.673 2.537 1.00 0.00 H new ATOM 0 HA ALA A 122 6.516 -12.555 3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.835 -11.042 2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.070 -10.144 3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.132 -10.185 1.790 1.00 0.00 H new