USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 887 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 126 LYS NZ :NH3+ -157:sc= 0.014 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 180:sc= 0.0158 USER MOD Set 2.1: A 97 TYR OH : rot 180:sc= -0.343 USER MOD Set 2.2: A 125 LYS NZ :NH3+ -171:sc= 1.15 (180deg=1.28) USER MOD Set 3.1: A 83 GLN : amide:sc= -1.76! K(o=-13!,f=-11) USER MOD Set 3.2: A 86 GLN : amide:sc= -10.9! C(o=-13!,f=-11!) USER MOD Set 4.1: A 17 GLN : amide:sc= -0.166 X(o=-0.12,f=-0.13) USER MOD Set 4.2: A 73 ASN : amide:sc= 0.0499 X(o=-0.12,f=-0.13) USER MOD Set 5.1: A 59 HIS : no HD1:sc= -0.0552 K(o=0.06,f=-0.49) USER MOD Set 5.2: A 67 SER OG : rot 159:sc= 0.115 USER MOD Set 6.1: A 44 SER OG : rot -96:sc= 0.81 USER MOD Set 6.2: A 46 ASN : amide:sc= -6.26! C(o=-5.5!,f=-7.8!) USER MOD Set 7.1: A 32 CYS SG : rot -167:sc= -1.06 USER MOD Set 7.2: A 35 CYS SG : rot 160:sc= -1.14! USER MOD Set 7.3: A 52 CYS SG : rot -126:sc= 1.32 USER MOD Set 7.4: A 55 CYS SG : rot 84:sc= -2.71! USER MOD Set 8.1: A 29 ASN : amide:sc= -1.34 K(o=-6,f=-11!) USER MOD Set 8.2: A 90 ASN : amide:sc= -4.62! C(o=-6!,f=-6.5!) USER MOD Single : A 16 HIS : no HE2:sc= -2.49 X(o=-2.5,f=-2.3!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00557) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -128:sc=-0.000735 (180deg=-0.781) USER MOD Single : A 61 ASN : amide:sc= -0.0822 K(o=-0.082,f=-1.6!) USER MOD Single : A 65 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-2.7!) USER MOD Single : A 70 LYS NZ :NH3+ -138:sc= -0.164 (180deg=-1.2) USER MOD Single : A 71 SER OG : rot -110:sc= -0.0241 USER MOD Single : A 76 GLN : amide:sc= -0.047 K(o=-0.047,f=-1.4!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 81 GLN : amide:sc= -5.34! C(o=-5.3!,f=-8.3!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -171:sc= -2.57 (180deg=-2.75) USER MOD Single : A 88 MET CE :methyl -116:sc= -3.34 (180deg=-5.11!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -5.2! K(o=-5.2!,f=-0.75) USER MOD Single : A 109 GLN : amide:sc= -0.751 X(o=-0.75,f=-0.35) USER MOD Single : A 110 THR OG1 : rot -160:sc= -1.41 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -174:sc= -0.0144! (180deg=-0.288!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 16 -10.681 -1.805 7.754 1.00 0.00 N ATOM 203 CA HIS A 16 -9.264 -1.787 7.409 1.00 0.00 C ATOM 204 C HIS A 16 -8.648 -3.174 7.572 1.00 0.00 C ATOM 205 O HIS A 16 -8.224 -3.792 6.596 1.00 0.00 O ATOM 206 CB HIS A 16 -8.517 -0.779 8.282 1.00 0.00 C ATOM 207 CG HIS A 16 -9.240 0.522 8.448 1.00 0.00 C ATOM 208 ND1 HIS A 16 -8.991 1.395 9.486 1.00 0.00 N ATOM 209 CD2 HIS A 16 -10.210 1.097 7.699 1.00 0.00 C ATOM 210 CE1 HIS A 16 -9.777 2.450 9.369 1.00 0.00 C ATOM 211 NE2 HIS A 16 -10.526 2.295 8.292 1.00 0.00 N ATOM 0 HA HIS A 16 -9.174 -1.488 6.365 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.346 -1.218 9.265 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.537 -0.587 7.844 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -8.307 1.249 10.228 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.653 0.690 6.802 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -9.803 3.296 10.040 1.00 0.00 H new ATOM 219 N GLN A 17 -8.603 -3.654 8.810 1.00 0.00 N ATOM 220 CA GLN A 17 -8.037 -4.967 9.099 1.00 0.00 C ATOM 221 C GLN A 17 -8.239 -5.918 7.924 1.00 0.00 C ATOM 222 O GLN A 17 -7.310 -6.611 7.506 1.00 0.00 O ATOM 223 CB GLN A 17 -8.674 -5.553 10.360 1.00 0.00 C ATOM 224 CG GLN A 17 -8.563 -4.647 11.576 1.00 0.00 C ATOM 225 CD GLN A 17 -7.192 -4.013 11.708 1.00 0.00 C ATOM 226 OE1 GLN A 17 -7.041 -2.799 11.567 1.00 0.00 O ATOM 227 NE2 GLN A 17 -6.184 -4.833 11.981 1.00 0.00 N ATOM 0 H GLN A 17 -8.951 -3.155 9.628 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.966 -4.845 9.264 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.727 -5.757 10.164 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.201 -6.509 10.585 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.317 -3.863 11.510 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.781 -5.224 12.475 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.355 -5.833 12.090 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.239 -4.463 12.082 1.00 0.00 H new ATOM 236 N LEU A 18 -9.457 -5.946 7.395 1.00 0.00 N ATOM 237 CA LEU A 18 -9.782 -6.812 6.267 1.00 0.00 C ATOM 238 C LEU A 18 -9.032 -6.377 5.012 1.00 0.00 C ATOM 239 O LEU A 18 -8.382 -7.188 4.353 1.00 0.00 O ATOM 240 CB LEU A 18 -11.288 -6.799 6.005 1.00 0.00 C ATOM 241 CG LEU A 18 -11.852 -8.013 5.265 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.115 -8.227 3.953 1.00 0.00 C ATOM 243 CD2 LEU A 18 -11.765 -9.257 6.138 1.00 0.00 C ATOM 0 H LEU A 18 -10.236 -5.379 7.729 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.473 -7.826 6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.802 -6.711 6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.529 -5.905 5.431 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.902 -7.824 5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.530 -9.095 3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.229 -7.345 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.057 -8.395 4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.171 -10.111 5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.723 -9.451 6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.339 -9.101 7.051 1.00 0.00 H new ATOM 255 N ILE A 19 -9.125 -5.091 4.690 1.00 0.00 N ATOM 256 CA ILE A 19 -8.453 -4.547 3.517 1.00 0.00 C ATOM 257 C ILE A 19 -6.984 -4.957 3.486 1.00 0.00 C ATOM 258 O ILE A 19 -6.508 -5.528 2.504 1.00 0.00 O ATOM 259 CB ILE A 19 -8.547 -3.010 3.476 1.00 0.00 C ATOM 260 CG1 ILE A 19 -10.005 -2.570 3.338 1.00 0.00 C ATOM 261 CG2 ILE A 19 -7.711 -2.459 2.330 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.252 -1.147 3.789 1.00 0.00 C ATOM 0 H ILE A 19 -9.659 -4.407 5.225 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.961 -4.957 2.644 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.154 -2.611 4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.309 -2.670 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.636 -3.242 3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.787 -1.372 2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.669 -2.748 2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.077 -2.862 1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.307 -0.903 3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.979 -1.046 4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.648 -0.465 3.190 1.00 0.00 H new ATOM 274 N LEU A 20 -6.271 -4.662 4.567 1.00 0.00 N ATOM 275 CA LEU A 20 -4.855 -5.002 4.665 1.00 0.00 C ATOM 276 C LEU A 20 -4.610 -6.444 4.234 1.00 0.00 C ATOM 277 O LEU A 20 -3.668 -6.730 3.495 1.00 0.00 O ATOM 278 CB LEU A 20 -4.359 -4.793 6.097 1.00 0.00 C ATOM 279 CG LEU A 20 -4.207 -3.341 6.550 1.00 0.00 C ATOM 280 CD1 LEU A 20 -4.323 -3.238 8.063 1.00 0.00 C ATOM 281 CD2 LEU A 20 -2.878 -2.770 6.075 1.00 0.00 C ATOM 0 H LEU A 20 -6.649 -4.189 5.388 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.301 -4.344 3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.049 -5.294 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.394 -5.288 6.202 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.011 -2.756 6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.212 -2.197 8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.299 -3.606 8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.541 -3.837 8.529 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.787 -1.736 6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.060 -3.358 6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.834 -2.807 4.987 1.00 0.00 H new ATOM 293 N SER A 21 -5.465 -7.349 4.701 1.00 0.00 N ATOM 294 CA SER A 21 -5.340 -8.763 4.365 1.00 0.00 C ATOM 295 C SER A 21 -5.592 -8.992 2.878 1.00 0.00 C ATOM 296 O SER A 21 -4.876 -9.753 2.225 1.00 0.00 O ATOM 297 CB SER A 21 -6.321 -9.594 5.194 1.00 0.00 C ATOM 298 OG SER A 21 -6.496 -10.884 4.635 1.00 0.00 O ATOM 0 H SER A 21 -6.251 -7.128 5.313 1.00 0.00 H new ATOM 0 HA SER A 21 -4.322 -9.078 4.596 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.953 -9.684 6.216 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.282 -9.083 5.245 1.00 0.00 H new ATOM 0 HG SER A 21 -7.126 -11.396 5.184 1.00 0.00 H new ATOM 304 N LYS A 22 -6.614 -8.329 2.348 1.00 0.00 N ATOM 305 CA LYS A 22 -6.962 -8.458 0.938 1.00 0.00 C ATOM 306 C LYS A 22 -5.739 -8.240 0.054 1.00 0.00 C ATOM 307 O LYS A 22 -5.473 -9.022 -0.860 1.00 0.00 O ATOM 308 CB LYS A 22 -8.058 -7.456 0.568 1.00 0.00 C ATOM 309 CG LYS A 22 -9.451 -7.899 0.979 1.00 0.00 C ATOM 310 CD LYS A 22 -10.515 -7.308 0.069 1.00 0.00 C ATOM 311 CE LYS A 22 -11.798 -8.124 0.108 1.00 0.00 C ATOM 312 NZ LYS A 22 -11.807 -9.193 -0.928 1.00 0.00 N ATOM 0 H LYS A 22 -7.216 -7.696 2.874 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.333 -9.470 0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.837 -6.498 1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.041 -7.293 -0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.511 -8.987 0.951 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.642 -7.595 2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.726 -6.282 0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.139 -7.268 -0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.913 -8.573 1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.653 -7.465 -0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.698 -9.726 -0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.723 -8.763 -1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.006 -9.837 -0.769 1.00 0.00 H new ATOM 326 N LEU A 23 -4.996 -7.174 0.332 1.00 0.00 N ATOM 327 CA LEU A 23 -3.799 -6.853 -0.438 1.00 0.00 C ATOM 328 C LEU A 23 -2.837 -8.036 -0.466 1.00 0.00 C ATOM 329 O LEU A 23 -2.356 -8.434 -1.528 1.00 0.00 O ATOM 330 CB LEU A 23 -3.102 -5.627 0.153 1.00 0.00 C ATOM 331 CG LEU A 23 -4.004 -4.440 0.493 1.00 0.00 C ATOM 332 CD1 LEU A 23 -3.191 -3.312 1.109 1.00 0.00 C ATOM 333 CD2 LEU A 23 -4.737 -3.955 -0.749 1.00 0.00 C ATOM 0 H LEU A 23 -5.201 -6.517 1.085 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.103 -6.632 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.580 -5.933 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.343 -5.290 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.744 -4.767 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.849 -2.476 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.712 -3.665 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.428 -2.985 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.374 -3.110 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.012 -3.644 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.351 -4.763 -1.148 1.00 0.00 H new ATOM 345 N LEU A 24 -2.562 -8.596 0.707 1.00 0.00 N ATOM 346 CA LEU A 24 -1.659 -9.737 0.817 1.00 0.00 C ATOM 347 C LEU A 24 -2.220 -10.949 0.081 1.00 0.00 C ATOM 348 O LEU A 24 -1.470 -11.817 -0.368 1.00 0.00 O ATOM 349 CB LEU A 24 -1.421 -10.083 2.288 1.00 0.00 C ATOM 350 CG LEU A 24 -0.755 -8.998 3.134 1.00 0.00 C ATOM 351 CD1 LEU A 24 -1.162 -9.134 4.593 1.00 0.00 C ATOM 352 CD2 LEU A 24 0.758 -9.065 2.993 1.00 0.00 C ATOM 0 H LEU A 24 -2.951 -8.279 1.595 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.710 -9.464 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.380 -10.331 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.805 -10.981 2.334 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.091 -8.026 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.678 -8.353 5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.244 -9.035 4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.856 -10.111 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.215 -8.285 3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.112 -10.040 3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.033 -8.917 1.949 1.00 0.00 H new ATOM 364 N ARG A 25 -3.542 -11.001 -0.040 1.00 0.00 N ATOM 365 CA ARG A 25 -4.203 -12.107 -0.723 1.00 0.00 C ATOM 366 C ARG A 25 -4.428 -11.780 -2.197 1.00 0.00 C ATOM 367 O ARG A 25 -4.922 -12.611 -2.958 1.00 0.00 O ATOM 368 CB ARG A 25 -5.541 -12.423 -0.050 1.00 0.00 C ATOM 369 CG ARG A 25 -5.397 -13.030 1.335 1.00 0.00 C ATOM 370 CD ARG A 25 -6.720 -13.583 1.841 1.00 0.00 C ATOM 371 NE ARG A 25 -7.226 -14.656 0.990 1.00 0.00 N ATOM 372 CZ ARG A 25 -7.912 -15.697 1.448 1.00 0.00 C ATOM 373 NH1 ARG A 25 -8.173 -15.804 2.744 1.00 0.00 N ATOM 374 NH2 ARG A 25 -8.340 -16.632 0.610 1.00 0.00 N ATOM 0 H ARG A 25 -4.176 -10.291 0.326 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.555 -12.981 -0.657 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.127 -11.507 0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.103 -13.111 -0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.654 -13.827 1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.028 -12.274 2.028 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.592 -13.956 2.857 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.455 -12.779 1.887 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.042 -14.603 -0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.847 -15.086 3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.700 -16.604 3.094 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.142 -16.552 -0.387 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.867 -17.431 0.963 1.00 0.00 H new ATOM 388 N GLU A 26 -4.061 -10.564 -2.590 1.00 0.00 N ATOM 389 CA GLU A 26 -4.224 -10.128 -3.972 1.00 0.00 C ATOM 390 C GLU A 26 -2.988 -10.471 -4.800 1.00 0.00 C ATOM 391 O GLU A 26 -2.665 -9.780 -5.765 1.00 0.00 O ATOM 392 CB GLU A 26 -4.486 -8.622 -4.027 1.00 0.00 C ATOM 393 CG GLU A 26 -5.934 -8.246 -3.761 1.00 0.00 C ATOM 394 CD GLU A 26 -6.846 -8.574 -4.927 1.00 0.00 C ATOM 395 OE1 GLU A 26 -6.577 -8.088 -6.046 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.828 -9.317 -4.721 1.00 0.00 O ATOM 0 H GLU A 26 -3.650 -9.865 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.080 -10.654 -4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.850 -8.124 -3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.196 -8.247 -5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.284 -8.771 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.995 -7.179 -3.546 1.00 0.00 H new ATOM 403 N GLU A 27 -2.303 -11.542 -4.414 1.00 0.00 N ATOM 404 CA GLU A 27 -1.103 -11.976 -5.120 1.00 0.00 C ATOM 405 C GLU A 27 -0.226 -10.782 -5.485 1.00 0.00 C ATOM 406 O GLU A 27 0.365 -10.739 -6.565 1.00 0.00 O ATOM 407 CB GLU A 27 -1.480 -12.752 -6.383 1.00 0.00 C ATOM 408 CG GLU A 27 -1.736 -14.229 -6.137 1.00 0.00 C ATOM 409 CD GLU A 27 -2.157 -14.966 -7.393 1.00 0.00 C ATOM 410 OE1 GLU A 27 -2.901 -14.378 -8.205 1.00 0.00 O ATOM 411 OE2 GLU A 27 -1.741 -16.131 -7.565 1.00 0.00 O ATOM 0 H GLU A 27 -2.558 -12.125 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.538 -12.630 -4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.373 -12.305 -6.821 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.680 -12.648 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.832 -14.689 -5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.512 -14.338 -5.379 1.00 0.00 H new ATOM 418 N ASP A 28 -0.146 -9.814 -4.579 1.00 0.00 N ATOM 419 CA ASP A 28 0.658 -8.619 -4.804 1.00 0.00 C ATOM 420 C ASP A 28 1.678 -8.432 -3.686 1.00 0.00 C ATOM 421 O ASP A 28 2.846 -8.138 -3.940 1.00 0.00 O ATOM 422 CB ASP A 28 -0.240 -7.385 -4.905 1.00 0.00 C ATOM 423 CG ASP A 28 -1.331 -7.546 -5.944 1.00 0.00 C ATOM 424 OD1 ASP A 28 -1.049 -8.121 -7.017 1.00 0.00 O ATOM 425 OD2 ASP A 28 -2.467 -7.098 -5.685 1.00 0.00 O ATOM 0 H ASP A 28 -0.629 -9.834 -3.681 1.00 0.00 H new ATOM 0 HA ASP A 28 1.195 -8.744 -5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.694 -7.189 -3.933 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.369 -6.516 -5.154 1.00 0.00 H new ATOM 430 N ASN A 29 1.229 -8.603 -2.447 1.00 0.00 N ATOM 431 CA ASN A 29 2.102 -8.451 -1.289 1.00 0.00 C ATOM 432 C ASN A 29 2.327 -9.792 -0.597 1.00 0.00 C ATOM 433 O ASN A 29 2.523 -9.852 0.617 1.00 0.00 O ATOM 434 CB ASN A 29 1.503 -7.448 -0.300 1.00 0.00 C ATOM 435 CG ASN A 29 1.007 -6.189 -0.984 1.00 0.00 C ATOM 436 OD1 ASN A 29 1.726 -5.193 -1.072 1.00 0.00 O ATOM 437 ND2 ASN A 29 -0.228 -6.227 -1.471 1.00 0.00 N ATOM 0 H ASN A 29 0.265 -8.847 -2.219 1.00 0.00 H new ATOM 0 HA ASN A 29 3.064 -8.076 -1.638 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.677 -7.918 0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.254 -7.182 0.444 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.616 -5.409 -1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.788 -7.074 -1.375 1.00 0.00 H new ATOM 444 N LYS A 30 2.297 -10.867 -1.378 1.00 0.00 N ATOM 445 CA LYS A 30 2.499 -12.208 -0.843 1.00 0.00 C ATOM 446 C LYS A 30 3.935 -12.392 -0.364 1.00 0.00 C ATOM 447 O LYS A 30 4.233 -13.314 0.397 1.00 0.00 O ATOM 448 CB LYS A 30 2.165 -13.258 -1.905 1.00 0.00 C ATOM 449 CG LYS A 30 0.712 -13.701 -1.888 1.00 0.00 C ATOM 450 CD LYS A 30 0.558 -15.127 -2.387 1.00 0.00 C ATOM 451 CE LYS A 30 -0.846 -15.657 -2.135 1.00 0.00 C ATOM 452 NZ LYS A 30 -1.047 -16.038 -0.710 1.00 0.00 N ATOM 0 H LYS A 30 2.135 -10.835 -2.384 1.00 0.00 H new ATOM 0 HA LYS A 30 1.832 -12.337 0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.401 -12.854 -2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.803 -14.129 -1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.319 -13.625 -0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.119 -13.031 -2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.777 -15.166 -3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.285 -15.768 -1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.576 -14.898 -2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.027 -16.523 -2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.998 -16.441 -0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.334 -16.744 -0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.950 -15.195 -0.108 1.00 0.00 H new ATOM 466 N TYR A 31 4.821 -11.509 -0.812 1.00 0.00 N ATOM 467 CA TYR A 31 6.226 -11.576 -0.429 1.00 0.00 C ATOM 468 C TYR A 31 6.775 -10.184 -0.129 1.00 0.00 C ATOM 469 O TYR A 31 6.338 -9.192 -0.713 1.00 0.00 O ATOM 470 CB TYR A 31 7.048 -12.232 -1.540 1.00 0.00 C ATOM 471 CG TYR A 31 6.440 -13.511 -2.068 1.00 0.00 C ATOM 472 CD1 TYR A 31 5.503 -13.487 -3.094 1.00 0.00 C ATOM 473 CD2 TYR A 31 6.803 -14.745 -1.542 1.00 0.00 C ATOM 474 CE1 TYR A 31 4.945 -14.653 -3.579 1.00 0.00 C ATOM 475 CE2 TYR A 31 6.251 -15.917 -2.021 1.00 0.00 C ATOM 476 CZ TYR A 31 5.322 -15.866 -3.040 1.00 0.00 C ATOM 477 OH TYR A 31 4.768 -17.030 -3.521 1.00 0.00 O ATOM 0 H TYR A 31 4.591 -10.739 -1.440 1.00 0.00 H new ATOM 0 HA TYR A 31 6.302 -12.180 0.475 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.160 -11.526 -2.363 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.049 -12.444 -1.163 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.206 -12.540 -3.519 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.530 -14.788 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.217 -14.616 -4.376 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.545 -16.867 -1.601 1.00 0.00 H new ATOM 0 HH TYR A 31 5.141 -17.795 -3.035 1.00 0.00 H new ATOM 487 N CYS A 32 7.738 -10.119 0.785 1.00 0.00 N ATOM 488 CA CYS A 32 8.348 -8.851 1.165 1.00 0.00 C ATOM 489 C CYS A 32 8.598 -7.979 -0.062 1.00 0.00 C ATOM 490 O CYS A 32 8.866 -8.485 -1.152 1.00 0.00 O ATOM 491 CB CYS A 32 9.664 -9.097 1.906 1.00 0.00 C ATOM 492 SG CYS A 32 10.309 -7.635 2.781 1.00 0.00 S ATOM 0 H CYS A 32 8.113 -10.931 1.276 1.00 0.00 H new ATOM 0 HA CYS A 32 7.658 -8.327 1.827 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.518 -9.903 2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.413 -9.439 1.191 1.00 0.00 H new ATOM 0 HG CYS A 32 11.536 -7.855 3.148 1.00 0.00 H new ATOM 497 N ALA A 33 8.508 -6.666 0.124 1.00 0.00 N ATOM 498 CA ALA A 33 8.726 -5.724 -0.967 1.00 0.00 C ATOM 499 C ALA A 33 10.215 -5.505 -1.213 1.00 0.00 C ATOM 500 O ALA A 33 10.603 -4.635 -1.993 1.00 0.00 O ATOM 501 CB ALA A 33 8.039 -4.400 -0.665 1.00 0.00 C ATOM 0 H ALA A 33 8.286 -6.231 1.019 1.00 0.00 H new ATOM 0 HA ALA A 33 8.293 -6.148 -1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.210 -3.706 -1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.968 -4.565 -0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.446 -3.980 0.255 1.00 0.00 H new ATOM 507 N ASP A 34 11.044 -6.299 -0.544 1.00 0.00 N ATOM 508 CA ASP A 34 12.491 -6.192 -0.692 1.00 0.00 C ATOM 509 C ASP A 34 13.124 -7.571 -0.845 1.00 0.00 C ATOM 510 O ASP A 34 13.681 -7.897 -1.894 1.00 0.00 O ATOM 511 CB ASP A 34 13.095 -5.470 0.513 1.00 0.00 C ATOM 512 CG ASP A 34 12.837 -3.976 0.483 1.00 0.00 C ATOM 513 OD1 ASP A 34 12.949 -3.376 -0.607 1.00 0.00 O ATOM 514 OD2 ASP A 34 12.523 -3.407 1.549 1.00 0.00 O ATOM 0 H ASP A 34 10.739 -7.024 0.106 1.00 0.00 H new ATOM 0 HA ASP A 34 12.699 -5.615 -1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.680 -5.889 1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.170 -5.650 0.539 1.00 0.00 H new ATOM 519 N CYS A 35 13.037 -8.377 0.208 1.00 0.00 N ATOM 520 CA CYS A 35 13.603 -9.720 0.192 1.00 0.00 C ATOM 521 C CYS A 35 12.561 -10.744 -0.248 1.00 0.00 C ATOM 522 O CYS A 35 12.776 -11.951 -0.134 1.00 0.00 O ATOM 523 CB CYS A 35 14.141 -10.086 1.577 1.00 0.00 C ATOM 524 SG CYS A 35 12.846 -10.398 2.819 1.00 0.00 S ATOM 0 H CYS A 35 12.580 -8.123 1.084 1.00 0.00 H new ATOM 0 HA CYS A 35 14.424 -9.733 -0.524 1.00 0.00 H new ATOM 0 HB2 CYS A 35 14.766 -10.974 1.489 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.782 -9.279 1.931 1.00 0.00 H new ATOM 0 HG CYS A 35 13.343 -11.093 3.799 1.00 0.00 H new ATOM 529 N GLU A 36 11.432 -10.253 -0.751 1.00 0.00 N ATOM 530 CA GLU A 36 10.357 -11.126 -1.207 1.00 0.00 C ATOM 531 C GLU A 36 10.262 -12.375 -0.334 1.00 0.00 C ATOM 532 O GLU A 36 10.177 -13.493 -0.840 1.00 0.00 O ATOM 533 CB GLU A 36 10.580 -11.527 -2.667 1.00 0.00 C ATOM 534 CG GLU A 36 10.792 -10.344 -3.597 1.00 0.00 C ATOM 535 CD GLU A 36 9.503 -9.607 -3.906 1.00 0.00 C ATOM 536 OE1 GLU A 36 8.461 -10.275 -4.069 1.00 0.00 O ATOM 537 OE2 GLU A 36 9.537 -8.361 -3.986 1.00 0.00 O ATOM 0 H GLU A 36 11.239 -9.257 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 36 9.419 -10.576 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.447 -12.185 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.720 -12.101 -3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.502 -9.652 -3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.238 -10.694 -4.528 1.00 0.00 H new ATOM 544 N ALA A 37 10.279 -12.174 0.979 1.00 0.00 N ATOM 545 CA ALA A 37 10.194 -13.282 1.923 1.00 0.00 C ATOM 546 C ALA A 37 8.837 -13.973 1.836 1.00 0.00 C ATOM 547 O ALA A 37 7.867 -13.400 1.340 1.00 0.00 O ATOM 548 CB ALA A 37 10.449 -12.790 3.340 1.00 0.00 C ATOM 0 H ALA A 37 10.351 -11.254 1.414 1.00 0.00 H new ATOM 0 HA ALA A 37 10.961 -14.010 1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.382 -13.628 4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.444 -12.349 3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.704 -12.040 3.604 1.00 0.00 H new ATOM 554 N LYS A 38 8.776 -15.208 2.322 1.00 0.00 N ATOM 555 CA LYS A 38 7.538 -15.979 2.301 1.00 0.00 C ATOM 556 C LYS A 38 6.719 -15.727 3.563 1.00 0.00 C ATOM 557 O LYS A 38 7.025 -16.260 4.629 1.00 0.00 O ATOM 558 CB LYS A 38 7.845 -17.472 2.169 1.00 0.00 C ATOM 559 CG LYS A 38 7.973 -17.941 0.730 1.00 0.00 C ATOM 560 CD LYS A 38 8.296 -19.424 0.653 1.00 0.00 C ATOM 561 CE LYS A 38 7.033 -20.270 0.651 1.00 0.00 C ATOM 562 NZ LYS A 38 6.612 -20.642 2.031 1.00 0.00 N ATOM 0 H LYS A 38 9.570 -15.697 2.736 1.00 0.00 H new ATOM 0 HA LYS A 38 6.953 -15.657 1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.772 -17.692 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.056 -18.042 2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.043 -17.742 0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.755 -17.371 0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.872 -19.626 -0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.922 -19.705 1.500 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.229 -19.721 0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.203 -21.174 0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.471 -21.671 2.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.349 -20.357 2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.722 -20.158 2.265 1.00 0.00 H new ATOM 576 N GLY A 39 5.676 -14.913 3.434 1.00 0.00 N ATOM 577 CA GLY A 39 4.829 -14.607 4.572 1.00 0.00 C ATOM 578 C GLY A 39 5.153 -13.262 5.191 1.00 0.00 C ATOM 579 O GLY A 39 5.482 -13.162 6.374 1.00 0.00 O ATOM 0 H GLY A 39 5.402 -14.460 2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.785 -14.617 4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.942 -15.387 5.325 1.00 0.00 H new ATOM 583 N PRO A 40 5.063 -12.196 4.382 1.00 0.00 N ATOM 584 CA PRO A 40 5.347 -10.832 4.836 1.00 0.00 C ATOM 585 C PRO A 40 4.289 -10.310 5.802 1.00 0.00 C ATOM 586 O PRO A 40 3.386 -9.572 5.409 1.00 0.00 O ATOM 587 CB PRO A 40 5.336 -10.017 3.540 1.00 0.00 C ATOM 588 CG PRO A 40 4.466 -10.794 2.612 1.00 0.00 C ATOM 589 CD PRO A 40 4.677 -12.241 2.962 1.00 0.00 C ATOM 0 HA PRO A 40 6.287 -10.773 5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.942 -9.014 3.706 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.342 -9.901 3.136 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.420 -10.512 2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.733 -10.601 1.573 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.771 -12.827 2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.456 -12.693 2.348 1.00 0.00 H new ATOM 597 N ARG A 41 4.408 -10.698 7.068 1.00 0.00 N ATOM 598 CA ARG A 41 3.460 -10.269 8.090 1.00 0.00 C ATOM 599 C ARG A 41 3.494 -8.753 8.261 1.00 0.00 C ATOM 600 O ARG A 41 2.577 -8.051 7.835 1.00 0.00 O ATOM 601 CB ARG A 41 3.774 -10.951 9.423 1.00 0.00 C ATOM 602 CG ARG A 41 2.545 -11.203 10.282 1.00 0.00 C ATOM 603 CD ARG A 41 1.904 -9.901 10.734 1.00 0.00 C ATOM 604 NE ARG A 41 1.116 -10.072 11.951 1.00 0.00 N ATOM 605 CZ ARG A 41 1.640 -10.410 13.124 1.00 0.00 C ATOM 606 NH1 ARG A 41 2.946 -10.610 13.238 1.00 0.00 N ATOM 607 NH2 ARG A 41 0.858 -10.546 14.187 1.00 0.00 N ATOM 0 H ARG A 41 5.151 -11.308 7.410 1.00 0.00 H new ATOM 0 HA ARG A 41 2.460 -10.558 7.768 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.271 -11.901 9.227 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.477 -10.333 9.981 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.820 -11.790 9.718 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.824 -11.794 11.154 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.680 -9.156 10.907 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.265 -9.517 9.939 1.00 0.00 H new ATOM 0 HE ARG A 41 0.108 -9.924 11.898 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.551 -10.504 12.424 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.345 -10.869 14.140 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.147 -10.391 14.104 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.262 -10.806 15.087 1.00 0.00 H new ATOM 621 N TRP A 42 4.555 -8.257 8.887 1.00 0.00 N ATOM 622 CA TRP A 42 4.707 -6.825 9.114 1.00 0.00 C ATOM 623 C TRP A 42 4.495 -6.043 7.823 1.00 0.00 C ATOM 624 O TRP A 42 4.458 -6.619 6.736 1.00 0.00 O ATOM 625 CB TRP A 42 6.093 -6.523 9.686 1.00 0.00 C ATOM 626 CG TRP A 42 6.340 -7.168 11.017 1.00 0.00 C ATOM 627 CD1 TRP A 42 6.614 -8.485 11.251 1.00 0.00 C ATOM 628 CD2 TRP A 42 6.334 -6.524 12.295 1.00 0.00 C ATOM 629 NE1 TRP A 42 6.778 -8.699 12.598 1.00 0.00 N ATOM 630 CE2 TRP A 42 6.612 -7.511 13.260 1.00 0.00 C ATOM 631 CE3 TRP A 42 6.122 -5.209 12.719 1.00 0.00 C ATOM 632 CZ2 TRP A 42 6.682 -7.223 14.621 1.00 0.00 C ATOM 633 CZ3 TRP A 42 6.191 -4.925 14.069 1.00 0.00 C ATOM 634 CH2 TRP A 42 6.471 -5.928 15.007 1.00 0.00 C ATOM 0 H TRP A 42 5.322 -8.825 9.246 1.00 0.00 H new ATOM 0 HA TRP A 42 3.949 -6.514 9.833 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.851 -6.862 8.980 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.210 -5.444 9.786 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.691 -9.247 10.489 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.989 -9.596 13.034 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.908 -4.429 12.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 6.895 -7.995 15.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.026 -3.913 14.408 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.521 -5.673 16.055 1.00 0.00 H new ATOM 645 N ALA A 43 4.356 -4.727 7.949 1.00 0.00 N ATOM 646 CA ALA A 43 4.150 -3.866 6.791 1.00 0.00 C ATOM 647 C ALA A 43 4.452 -2.410 7.128 1.00 0.00 C ATOM 648 O ALA A 43 4.119 -1.932 8.212 1.00 0.00 O ATOM 649 CB ALA A 43 2.724 -4.006 6.277 1.00 0.00 C ATOM 0 H ALA A 43 4.382 -4.234 8.842 1.00 0.00 H new ATOM 0 HA ALA A 43 4.840 -4.181 6.008 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.584 -3.358 5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.541 -5.041 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.024 -3.720 7.062 1.00 0.00 H new ATOM 655 N SER A 44 5.086 -1.710 6.193 1.00 0.00 N ATOM 656 CA SER A 44 5.438 -0.309 6.393 1.00 0.00 C ATOM 657 C SER A 44 4.419 0.608 5.724 1.00 0.00 C ATOM 658 O SER A 44 4.393 0.735 4.500 1.00 0.00 O ATOM 659 CB SER A 44 6.836 -0.028 5.839 1.00 0.00 C ATOM 660 OG SER A 44 7.505 0.952 6.615 1.00 0.00 O ATOM 0 H SER A 44 5.367 -2.090 5.289 1.00 0.00 H new ATOM 0 HA SER A 44 5.433 -0.108 7.464 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.419 -0.949 5.830 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.760 0.311 4.806 1.00 0.00 H new ATOM 0 HG SER A 44 7.397 1.831 6.195 1.00 0.00 H new ATOM 666 N TRP A 45 3.582 1.244 6.535 1.00 0.00 N ATOM 667 CA TRP A 45 2.560 2.149 6.022 1.00 0.00 C ATOM 668 C TRP A 45 3.195 3.366 5.358 1.00 0.00 C ATOM 669 O TRP A 45 2.933 3.655 4.191 1.00 0.00 O ATOM 670 CB TRP A 45 1.632 2.596 7.153 1.00 0.00 C ATOM 671 CG TRP A 45 2.350 3.287 8.272 1.00 0.00 C ATOM 672 CD1 TRP A 45 3.123 2.703 9.235 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.359 4.692 8.547 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.612 3.660 10.091 1.00 0.00 N ATOM 675 CE2 TRP A 45 3.158 4.889 9.690 1.00 0.00 C ATOM 676 CE3 TRP A 45 1.771 5.804 7.937 1.00 0.00 C ATOM 677 CZ2 TRP A 45 3.382 6.151 10.234 1.00 0.00 C ATOM 678 CZ3 TRP A 45 1.994 7.056 8.478 1.00 0.00 C ATOM 679 CH2 TRP A 45 2.794 7.221 9.617 1.00 0.00 C ATOM 0 H TRP A 45 3.591 1.150 7.551 1.00 0.00 H new ATOM 0 HA TRP A 45 1.977 1.613 5.273 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.874 3.267 6.748 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.109 1.726 7.549 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.321 1.644 9.312 1.00 0.00 H new ATOM 0 HE1 TRP A 45 4.215 3.484 10.895 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.154 5.687 7.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.998 6.280 11.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.544 7.922 8.015 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.949 8.213 10.015 1.00 0.00 H new ATOM 690 N ASN A 46 4.032 4.075 6.108 1.00 0.00 N ATOM 691 CA ASN A 46 4.705 5.261 5.591 1.00 0.00 C ATOM 692 C ASN A 46 5.018 5.105 4.106 1.00 0.00 C ATOM 693 O ASN A 46 4.889 6.053 3.331 1.00 0.00 O ATOM 694 CB ASN A 46 5.995 5.523 6.371 1.00 0.00 C ATOM 695 CG ASN A 46 7.208 4.900 5.709 1.00 0.00 C ATOM 696 OD1 ASN A 46 7.456 3.701 5.845 1.00 0.00 O ATOM 697 ND2 ASN A 46 7.971 5.712 4.987 1.00 0.00 N ATOM 0 H ASN A 46 4.261 3.849 7.076 1.00 0.00 H new ATOM 0 HA ASN A 46 4.035 6.111 5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.148 6.598 6.464 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.892 5.127 7.381 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.801 5.349 4.518 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.728 6.699 4.902 1.00 0.00 H new ATOM 704 N ILE A 47 5.430 3.903 3.718 1.00 0.00 N ATOM 705 CA ILE A 47 5.760 3.622 2.326 1.00 0.00 C ATOM 706 C ILE A 47 4.570 3.017 1.590 1.00 0.00 C ATOM 707 O ILE A 47 4.301 3.356 0.438 1.00 0.00 O ATOM 708 CB ILE A 47 6.960 2.663 2.215 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.221 3.321 2.776 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.173 2.247 0.767 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.316 2.336 3.120 1.00 0.00 C ATOM 0 H ILE A 47 5.543 3.108 4.347 1.00 0.00 H new ATOM 0 HA ILE A 47 6.022 4.574 1.865 1.00 0.00 H new ATOM 0 HB ILE A 47 6.747 1.770 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.603 4.036 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.959 3.887 3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.024 1.569 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.280 1.742 0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.367 3.131 0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.179 2.874 3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.952 1.636 3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.607 1.787 2.224 1.00 0.00 H new ATOM 723 N GLY A 48 3.858 2.119 2.264 1.00 0.00 N ATOM 724 CA GLY A 48 2.703 1.482 1.659 1.00 0.00 C ATOM 725 C GLY A 48 3.030 0.121 1.077 1.00 0.00 C ATOM 726 O GLY A 48 2.431 -0.299 0.087 1.00 0.00 O ATOM 0 H GLY A 48 4.061 1.821 3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.918 1.375 2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.308 2.125 0.872 1.00 0.00 H new ATOM 730 N VAL A 49 3.985 -0.570 1.692 1.00 0.00 N ATOM 731 CA VAL A 49 4.391 -1.891 1.228 1.00 0.00 C ATOM 732 C VAL A 49 4.577 -2.851 2.398 1.00 0.00 C ATOM 733 O VAL A 49 4.988 -2.448 3.486 1.00 0.00 O ATOM 734 CB VAL A 49 5.701 -1.824 0.421 1.00 0.00 C ATOM 735 CG1 VAL A 49 5.475 -1.117 -0.907 1.00 0.00 C ATOM 736 CG2 VAL A 49 6.788 -1.128 1.226 1.00 0.00 C ATOM 0 H VAL A 49 4.491 -0.237 2.512 1.00 0.00 H new ATOM 0 HA VAL A 49 3.593 -2.259 0.583 1.00 0.00 H new ATOM 0 HB VAL A 49 6.031 -2.842 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.412 -1.079 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.730 -1.662 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.121 -0.103 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.706 -1.090 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.469 -0.114 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.968 -1.681 2.148 1.00 0.00 H new ATOM 746 N PHE A 50 4.271 -4.123 2.166 1.00 0.00 N ATOM 747 CA PHE A 50 4.404 -5.142 3.201 1.00 0.00 C ATOM 748 C PHE A 50 5.815 -5.723 3.215 1.00 0.00 C ATOM 749 O PHE A 50 6.366 -6.065 2.168 1.00 0.00 O ATOM 750 CB PHE A 50 3.382 -6.259 2.980 1.00 0.00 C ATOM 751 CG PHE A 50 1.959 -5.779 2.983 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.454 -5.060 1.912 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.126 -6.047 4.057 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.145 -4.617 1.912 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.184 -5.606 4.064 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.676 -4.891 2.989 1.00 0.00 C ATOM 0 H PHE A 50 3.929 -4.473 1.271 1.00 0.00 H new ATOM 0 HA PHE A 50 4.215 -4.671 4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.590 -6.748 2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.505 -7.012 3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.091 -4.843 1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.505 -6.607 4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.236 -4.057 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.822 -5.820 4.909 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.700 -4.547 2.991 1.00 0.00 H new ATOM 766 N ILE A 51 6.392 -5.832 4.407 1.00 0.00 N ATOM 767 CA ILE A 51 7.737 -6.372 4.557 1.00 0.00 C ATOM 768 C ILE A 51 7.794 -7.401 5.681 1.00 0.00 C ATOM 769 O ILE A 51 6.847 -7.545 6.454 1.00 0.00 O ATOM 770 CB ILE A 51 8.762 -5.258 4.844 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.374 -4.491 6.110 1.00 0.00 C ATOM 772 CG2 ILE A 51 8.863 -4.313 3.656 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.392 -3.451 6.522 1.00 0.00 C ATOM 0 H ILE A 51 5.949 -5.554 5.283 1.00 0.00 H new ATOM 0 HA ILE A 51 7.991 -6.854 3.613 1.00 0.00 H new ATOM 0 HB ILE A 51 9.738 -5.715 5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.413 -4.003 5.949 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.239 -5.199 6.927 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.591 -3.531 3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.181 -4.870 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.890 -3.860 3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.051 -2.947 7.426 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.349 -3.935 6.715 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.510 -2.720 5.722 1.00 0.00 H new ATOM 785 N CYS A 52 8.912 -8.114 5.766 1.00 0.00 N ATOM 786 CA CYS A 52 9.095 -9.129 6.796 1.00 0.00 C ATOM 787 C CYS A 52 9.620 -8.507 8.087 1.00 0.00 C ATOM 788 O CYS A 52 9.852 -7.300 8.156 1.00 0.00 O ATOM 789 CB CYS A 52 10.061 -10.211 6.309 1.00 0.00 C ATOM 790 SG CYS A 52 11.746 -9.607 5.972 1.00 0.00 S ATOM 0 H CYS A 52 9.705 -8.007 5.134 1.00 0.00 H new ATOM 0 HA CYS A 52 8.125 -9.582 7.000 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.113 -11.001 7.059 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.659 -10.660 5.401 1.00 0.00 H new ATOM 0 HG CYS A 52 12.094 -9.943 4.766 1.00 0.00 H new ATOM 795 N ILE A 53 9.806 -9.339 9.106 1.00 0.00 N ATOM 796 CA ILE A 53 10.304 -8.871 10.393 1.00 0.00 C ATOM 797 C ILE A 53 11.774 -8.476 10.302 1.00 0.00 C ATOM 798 O ILE A 53 12.215 -7.532 10.958 1.00 0.00 O ATOM 799 CB ILE A 53 10.140 -9.945 11.484 1.00 0.00 C ATOM 800 CG1 ILE A 53 10.546 -9.383 12.849 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.968 -11.176 11.145 1.00 0.00 C ATOM 802 CD1 ILE A 53 9.999 -10.175 14.015 1.00 0.00 C ATOM 0 H ILE A 53 9.619 -10.341 9.065 1.00 0.00 H new ATOM 0 HA ILE A 53 9.711 -7.997 10.663 1.00 0.00 H new ATOM 0 HB ILE A 53 9.091 -10.238 11.530 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.634 -9.360 12.914 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.200 -8.352 12.926 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.841 -11.926 11.926 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.637 -11.586 10.191 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.020 -10.899 11.075 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.327 -9.720 14.950 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.910 -10.177 13.974 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.366 -11.200 13.963 1.00 0.00 H new ATOM 814 N ARG A 54 12.527 -9.202 9.482 1.00 0.00 N ATOM 815 CA ARG A 54 13.948 -8.926 9.304 1.00 0.00 C ATOM 816 C ARG A 54 14.165 -7.509 8.784 1.00 0.00 C ATOM 817 O ARG A 54 14.737 -6.663 9.473 1.00 0.00 O ATOM 818 CB ARG A 54 14.568 -9.937 8.338 1.00 0.00 C ATOM 819 CG ARG A 54 16.068 -9.767 8.159 1.00 0.00 C ATOM 820 CD ARG A 54 16.389 -8.847 6.991 1.00 0.00 C ATOM 821 NE ARG A 54 16.082 -9.468 5.705 1.00 0.00 N ATOM 822 CZ ARG A 54 16.904 -10.300 5.077 1.00 0.00 C ATOM 823 NH1 ARG A 54 18.076 -10.611 5.613 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.554 -10.825 3.909 1.00 0.00 N ATOM 0 H ARG A 54 12.177 -9.985 8.931 1.00 0.00 H new ATOM 0 HA ARG A 54 14.435 -9.016 10.275 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.366 -10.945 8.701 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.082 -9.844 7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.501 -9.361 9.073 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.529 -10.741 7.994 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.821 -7.922 7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.445 -8.578 7.021 1.00 0.00 H new ATOM 0 HE ARG A 54 15.188 -9.251 5.266 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.349 -10.211 6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.705 -11.251 5.128 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.653 -10.589 3.493 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.186 -11.464 3.427 1.00 0.00 H new ATOM 838 N CYS A 55 13.707 -7.256 7.562 1.00 0.00 N ATOM 839 CA CYS A 55 13.852 -5.942 6.947 1.00 0.00 C ATOM 840 C CYS A 55 13.295 -4.851 7.858 1.00 0.00 C ATOM 841 O CYS A 55 13.920 -3.809 8.050 1.00 0.00 O ATOM 842 CB CYS A 55 13.137 -5.907 5.595 1.00 0.00 C ATOM 843 SG CYS A 55 13.877 -6.995 4.335 1.00 0.00 S ATOM 0 H CYS A 55 13.232 -7.944 6.978 1.00 0.00 H new ATOM 0 HA CYS A 55 14.915 -5.755 6.793 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.095 -6.192 5.739 1.00 0.00 H new ATOM 0 HB3 CYS A 55 13.138 -4.883 5.222 1.00 0.00 H new ATOM 0 HG CYS A 55 13.412 -8.201 4.476 1.00 0.00 H new ATOM 848 N ALA A 56 12.114 -5.099 8.416 1.00 0.00 N ATOM 849 CA ALA A 56 11.474 -4.140 9.307 1.00 0.00 C ATOM 850 C ALA A 56 12.475 -3.562 10.302 1.00 0.00 C ATOM 851 O ALA A 56 12.596 -2.345 10.439 1.00 0.00 O ATOM 852 CB ALA A 56 10.315 -4.796 10.044 1.00 0.00 C ATOM 0 H ALA A 56 11.582 -5.956 8.266 1.00 0.00 H new ATOM 0 HA ALA A 56 11.088 -3.320 8.701 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.846 -4.068 10.706 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.582 -5.155 9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.686 -5.635 10.632 1.00 0.00 H new ATOM 858 N GLY A 57 13.191 -4.442 10.994 1.00 0.00 N ATOM 859 CA GLY A 57 14.172 -3.999 11.968 1.00 0.00 C ATOM 860 C GLY A 57 15.119 -2.959 11.404 1.00 0.00 C ATOM 861 O GLY A 57 15.490 -2.009 12.094 1.00 0.00 O ATOM 0 H GLY A 57 13.110 -5.454 10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.657 -3.585 12.835 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.746 -4.857 12.317 1.00 0.00 H new ATOM 865 N ILE A 58 15.514 -3.139 10.148 1.00 0.00 N ATOM 866 CA ILE A 58 16.425 -2.209 9.493 1.00 0.00 C ATOM 867 C ILE A 58 15.721 -0.899 9.152 1.00 0.00 C ATOM 868 O ILE A 58 16.302 0.180 9.274 1.00 0.00 O ATOM 869 CB ILE A 58 17.015 -2.812 8.205 1.00 0.00 C ATOM 870 CG1 ILE A 58 17.925 -3.995 8.540 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.780 -1.752 7.426 1.00 0.00 C ATOM 872 CD1 ILE A 58 17.216 -5.331 8.510 1.00 0.00 C ATOM 0 H ILE A 58 15.217 -3.921 9.564 1.00 0.00 H new ATOM 0 HA ILE A 58 17.235 -2.012 10.196 1.00 0.00 H new ATOM 0 HB ILE A 58 16.196 -3.173 7.582 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.754 -4.017 7.833 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.355 -3.843 9.530 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.191 -2.194 6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.105 -0.938 7.160 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.592 -1.364 8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 58 17.922 -6.123 8.757 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.404 -5.329 9.237 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.810 -5.505 7.514 1.00 0.00 H new ATOM 884 N HIS A 59 14.466 -1.001 8.726 1.00 0.00 N ATOM 885 CA HIS A 59 13.682 0.176 8.370 1.00 0.00 C ATOM 886 C HIS A 59 13.642 1.172 9.525 1.00 0.00 C ATOM 887 O HIS A 59 13.898 2.361 9.341 1.00 0.00 O ATOM 888 CB HIS A 59 12.260 -0.231 7.983 1.00 0.00 C ATOM 889 CG HIS A 59 12.116 -0.604 6.539 1.00 0.00 C ATOM 890 ND1 HIS A 59 11.485 0.201 5.614 1.00 0.00 N ATOM 891 CD2 HIS A 59 12.527 -1.701 5.863 1.00 0.00 C ATOM 892 CE1 HIS A 59 11.513 -0.387 4.431 1.00 0.00 C ATOM 893 NE2 HIS A 59 12.140 -1.543 4.555 1.00 0.00 N ATOM 0 H HIS A 59 13.971 -1.886 8.619 1.00 0.00 H new ATOM 0 HA HIS A 59 14.160 0.656 7.516 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.952 -1.075 8.600 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.582 0.592 8.207 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.061 -2.545 6.275 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.094 0.010 3.518 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.309 -2.210 3.802 1.00 0.00 H new ATOM 901 N ARG A 60 13.317 0.677 10.715 1.00 0.00 N ATOM 902 CA ARG A 60 13.241 1.524 11.900 1.00 0.00 C ATOM 903 C ARG A 60 14.490 2.392 12.029 1.00 0.00 C ATOM 904 O ARG A 60 14.400 3.597 12.256 1.00 0.00 O ATOM 905 CB ARG A 60 13.071 0.668 13.156 1.00 0.00 C ATOM 906 CG ARG A 60 12.133 -0.513 12.965 1.00 0.00 C ATOM 907 CD ARG A 60 11.759 -1.149 14.294 1.00 0.00 C ATOM 908 NE ARG A 60 10.626 -0.476 14.924 1.00 0.00 N ATOM 909 CZ ARG A 60 9.855 -1.042 15.845 1.00 0.00 C ATOM 910 NH1 ARG A 60 10.094 -2.284 16.243 1.00 0.00 N ATOM 911 NH2 ARG A 60 8.842 -0.366 16.371 1.00 0.00 N ATOM 0 H ARG A 60 13.102 -0.306 10.884 1.00 0.00 H new ATOM 0 HA ARG A 60 12.374 2.177 11.794 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.048 0.299 13.469 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.693 1.294 13.964 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.230 -0.182 12.452 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.609 -1.257 12.326 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.515 -2.200 14.137 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.618 -1.118 14.965 1.00 0.00 H new ATOM 0 HE ARG A 60 10.416 0.481 14.641 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.872 -2.807 15.841 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.500 -2.716 16.951 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.655 0.590 16.068 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.250 -0.802 17.078 1.00 0.00 H new ATOM 925 N ASN A 61 15.655 1.768 11.882 1.00 0.00 N ATOM 926 CA ASN A 61 16.922 2.483 11.983 1.00 0.00 C ATOM 927 C ASN A 61 16.901 3.751 11.134 1.00 0.00 C ATOM 928 O ASN A 61 17.244 4.835 11.609 1.00 0.00 O ATOM 929 CB ASN A 61 18.077 1.581 11.542 1.00 0.00 C ATOM 930 CG ASN A 61 18.504 0.615 12.631 1.00 0.00 C ATOM 931 OD1 ASN A 61 18.359 0.900 13.820 1.00 0.00 O ATOM 932 ND2 ASN A 61 19.033 -0.534 12.228 1.00 0.00 N ATOM 0 H ASN A 61 15.747 0.770 11.693 1.00 0.00 H new ATOM 0 HA ASN A 61 17.068 2.767 13.025 1.00 0.00 H new ATOM 0 HB2 ASN A 61 17.778 1.018 10.658 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.928 2.199 11.254 1.00 0.00 H new ATOM 0 HD21 ASN A 61 19.339 -1.223 12.915 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.134 -0.727 11.232 1.00 0.00 H new ATOM 939 N LEU A 62 16.495 3.609 9.878 1.00 0.00 N ATOM 940 CA LEU A 62 16.428 4.742 8.962 1.00 0.00 C ATOM 941 C LEU A 62 15.959 6.000 9.687 1.00 0.00 C ATOM 942 O LEU A 62 16.623 7.035 9.647 1.00 0.00 O ATOM 943 CB LEU A 62 15.484 4.429 7.800 1.00 0.00 C ATOM 944 CG LEU A 62 15.734 3.109 7.070 1.00 0.00 C ATOM 945 CD1 LEU A 62 14.870 3.017 5.822 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.206 2.966 6.713 1.00 0.00 C ATOM 0 H LEU A 62 16.207 2.720 9.470 1.00 0.00 H new ATOM 0 HA LEU A 62 17.429 4.921 8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.462 4.424 8.179 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.551 5.240 7.075 1.00 0.00 H new ATOM 0 HG LEU A 62 15.462 2.291 7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.062 2.071 5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.818 3.072 6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.110 3.842 5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.364 2.021 6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.505 3.790 6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.805 2.985 7.624 1.00 0.00 H new ATOM 958 N GLY A 63 14.812 5.902 10.351 1.00 0.00 N ATOM 959 CA GLY A 63 14.276 7.039 11.078 1.00 0.00 C ATOM 960 C GLY A 63 12.783 7.206 10.872 1.00 0.00 C ATOM 961 O GLY A 63 12.268 6.958 9.782 1.00 0.00 O ATOM 0 H GLY A 63 14.244 5.056 10.399 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.482 6.916 12.141 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.788 7.946 10.757 1.00 0.00 H new ATOM 965 N VAL A 64 12.086 7.627 11.923 1.00 0.00 N ATOM 966 CA VAL A 64 10.644 7.827 11.853 1.00 0.00 C ATOM 967 C VAL A 64 10.278 8.813 10.748 1.00 0.00 C ATOM 968 O VAL A 64 9.112 8.934 10.371 1.00 0.00 O ATOM 969 CB VAL A 64 10.083 8.343 13.191 1.00 0.00 C ATOM 970 CG1 VAL A 64 10.231 7.286 14.275 1.00 0.00 C ATOM 971 CG2 VAL A 64 10.776 9.635 13.597 1.00 0.00 C ATOM 0 H VAL A 64 12.497 7.836 12.833 1.00 0.00 H new ATOM 0 HA VAL A 64 10.201 6.856 11.632 1.00 0.00 H new ATOM 0 HB VAL A 64 9.021 8.552 13.063 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.829 7.668 15.213 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.684 6.389 13.985 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.286 7.043 14.404 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.367 9.985 14.545 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.845 9.455 13.708 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.613 10.392 12.830 1.00 0.00 H new ATOM 981 N HIS A 65 11.283 9.514 10.233 1.00 0.00 N ATOM 982 CA HIS A 65 11.068 10.489 9.169 1.00 0.00 C ATOM 983 C HIS A 65 11.236 9.843 7.797 1.00 0.00 C ATOM 984 O HIS A 65 10.631 10.278 6.817 1.00 0.00 O ATOM 985 CB HIS A 65 12.040 11.660 9.317 1.00 0.00 C ATOM 986 CG HIS A 65 13.459 11.236 9.537 1.00 0.00 C ATOM 987 ND1 HIS A 65 13.922 10.751 10.742 1.00 0.00 N ATOM 988 CD2 HIS A 65 14.520 11.224 8.696 1.00 0.00 C ATOM 989 CE1 HIS A 65 15.207 10.461 10.633 1.00 0.00 C ATOM 990 NE2 HIS A 65 15.593 10.738 9.401 1.00 0.00 N ATOM 0 H HIS A 65 12.253 9.425 10.535 1.00 0.00 H new ATOM 0 HA HIS A 65 10.047 10.861 9.253 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.989 12.279 8.421 1.00 0.00 H new ATOM 0 HB3 HIS A 65 11.722 12.282 10.153 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.522 11.538 7.663 1.00 0.00 H new ATOM 0 HE1 HIS A 65 15.834 10.065 11.418 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.536 10.611 9.033 1.00 0.00 H new ATOM 998 N ILE A 66 12.062 8.804 7.736 1.00 0.00 N ATOM 999 CA ILE A 66 12.309 8.098 6.485 1.00 0.00 C ATOM 1000 C ILE A 66 11.306 6.968 6.283 1.00 0.00 C ATOM 1001 O ILE A 66 10.728 6.821 5.206 1.00 0.00 O ATOM 1002 CB ILE A 66 13.735 7.519 6.437 1.00 0.00 C ATOM 1003 CG1 ILE A 66 14.760 8.641 6.265 1.00 0.00 C ATOM 1004 CG2 ILE A 66 13.858 6.504 5.310 1.00 0.00 C ATOM 1005 CD1 ILE A 66 16.142 8.280 6.763 1.00 0.00 C ATOM 0 H ILE A 66 12.571 8.433 8.538 1.00 0.00 H new ATOM 0 HA ILE A 66 12.195 8.828 5.684 1.00 0.00 H new ATOM 0 HB ILE A 66 13.936 7.011 7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 66 14.821 8.907 5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.411 9.526 6.797 1.00 0.00 H new ATOM 0 HG21 ILE A 66 14.872 6.104 5.290 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.151 5.691 5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.640 6.989 4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 66 16.816 9.123 6.609 1.00 0.00 H new ATOM 0 HD12 ILE A 66 16.095 8.042 7.826 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.512 7.414 6.214 1.00 0.00 H new ATOM 1017 N SER A 67 11.102 6.172 7.328 1.00 0.00 N ATOM 1018 CA SER A 67 10.170 5.052 7.265 1.00 0.00 C ATOM 1019 C SER A 67 9.830 4.550 8.665 1.00 0.00 C ATOM 1020 O SER A 67 10.716 4.345 9.495 1.00 0.00 O ATOM 1021 CB SER A 67 10.762 3.914 6.432 1.00 0.00 C ATOM 1022 OG SER A 67 11.587 3.077 7.225 1.00 0.00 O ATOM 0 H SER A 67 11.569 6.282 8.228 1.00 0.00 H new ATOM 0 HA SER A 67 9.253 5.400 6.790 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.958 3.325 5.991 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.343 4.327 5.607 1.00 0.00 H new ATOM 0 HG SER A 67 11.675 2.201 6.794 1.00 0.00 H new ATOM 1028 N ARG A 68 8.541 4.353 8.920 1.00 0.00 N ATOM 1029 CA ARG A 68 8.082 3.876 10.219 1.00 0.00 C ATOM 1030 C ARG A 68 7.564 2.444 10.120 1.00 0.00 C ATOM 1031 O ARG A 68 6.711 2.138 9.287 1.00 0.00 O ATOM 1032 CB ARG A 68 6.984 4.791 10.763 1.00 0.00 C ATOM 1033 CG ARG A 68 7.515 5.998 11.519 1.00 0.00 C ATOM 1034 CD ARG A 68 6.485 6.540 12.498 1.00 0.00 C ATOM 1035 NE ARG A 68 5.659 7.586 11.900 1.00 0.00 N ATOM 1036 CZ ARG A 68 4.770 8.300 12.581 1.00 0.00 C ATOM 1037 NH1 ARG A 68 4.594 8.083 13.877 1.00 0.00 N ATOM 1038 NH2 ARG A 68 4.056 9.234 11.967 1.00 0.00 N ATOM 0 H ARG A 68 7.795 4.516 8.244 1.00 0.00 H new ATOM 0 HA ARG A 68 8.930 3.891 10.904 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.366 5.136 9.934 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.337 4.215 11.424 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.421 5.721 12.058 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.792 6.779 10.811 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.847 5.726 12.841 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.994 6.937 13.376 1.00 0.00 H new ATOM 0 HE ARG A 68 5.771 7.779 10.905 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.142 7.366 14.353 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.911 8.633 14.398 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.189 9.405 10.970 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.374 9.781 12.492 1.00 0.00 H new ATOM 1052 N VAL A 69 8.086 1.571 10.976 1.00 0.00 N ATOM 1053 CA VAL A 69 7.676 0.172 10.986 1.00 0.00 C ATOM 1054 C VAL A 69 6.655 -0.093 12.086 1.00 0.00 C ATOM 1055 O VAL A 69 6.764 0.437 13.192 1.00 0.00 O ATOM 1056 CB VAL A 69 8.883 -0.765 11.184 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.440 -2.220 11.154 1.00 0.00 C ATOM 1058 CG2 VAL A 69 9.942 -0.500 10.124 1.00 0.00 C ATOM 0 H VAL A 69 8.794 1.808 11.671 1.00 0.00 H new ATOM 0 HA VAL A 69 7.222 -0.032 10.016 1.00 0.00 H new ATOM 0 HB VAL A 69 9.321 -0.563 12.162 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.306 -2.867 11.295 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.720 -2.398 11.953 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.976 -2.439 10.192 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.787 -1.170 10.279 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.518 -0.673 9.135 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.280 0.534 10.198 1.00 0.00 H new ATOM 1068 N LYS A 70 5.660 -0.919 11.775 1.00 0.00 N ATOM 1069 CA LYS A 70 4.618 -1.258 12.737 1.00 0.00 C ATOM 1070 C LYS A 70 3.795 -2.446 12.251 1.00 0.00 C ATOM 1071 O LYS A 70 3.530 -2.582 11.057 1.00 0.00 O ATOM 1072 CB LYS A 70 3.705 -0.054 12.976 1.00 0.00 C ATOM 1073 CG LYS A 70 2.917 0.365 11.746 1.00 0.00 C ATOM 1074 CD LYS A 70 1.574 0.968 12.123 1.00 0.00 C ATOM 1075 CE LYS A 70 1.729 2.383 12.659 1.00 0.00 C ATOM 1076 NZ LYS A 70 2.140 2.392 14.091 1.00 0.00 N ATOM 0 H LYS A 70 5.554 -1.366 10.864 1.00 0.00 H new ATOM 0 HA LYS A 70 5.100 -1.532 13.676 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.008 -0.291 13.780 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.309 0.788 13.315 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.494 1.090 11.172 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.760 -0.500 11.101 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.921 0.978 11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.092 0.344 12.875 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.471 2.917 12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.786 2.919 12.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.605 3.123 14.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.946 1.462 14.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.157 2.597 14.159 1.00 0.00 H new ATOM 1090 N SER A 71 3.392 -3.302 13.184 1.00 0.00 N ATOM 1091 CA SER A 71 2.600 -4.480 12.850 1.00 0.00 C ATOM 1092 C SER A 71 1.357 -4.092 12.056 1.00 0.00 C ATOM 1093 O SER A 71 0.968 -2.925 12.022 1.00 0.00 O ATOM 1094 CB SER A 71 2.194 -5.226 14.123 1.00 0.00 C ATOM 1095 OG SER A 71 2.109 -6.621 13.891 1.00 0.00 O ATOM 0 H SER A 71 3.601 -3.202 14.177 1.00 0.00 H new ATOM 0 HA SER A 71 3.214 -5.136 12.233 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.921 -5.029 14.911 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.232 -4.853 14.476 1.00 0.00 H new ATOM 0 HG SER A 71 1.171 -6.902 13.925 1.00 0.00 H new ATOM 1101 N VAL A 72 0.738 -5.080 11.417 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.462 -4.843 10.624 1.00 0.00 C ATOM 1103 C VAL A 72 -1.720 -4.984 11.474 1.00 0.00 C ATOM 1104 O VAL A 72 -2.651 -4.188 11.359 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.549 -5.817 9.433 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.545 -5.311 8.401 1.00 0.00 C ATOM 1107 CG2 VAL A 72 0.823 -6.017 8.808 1.00 0.00 C ATOM 0 H VAL A 72 1.048 -6.052 11.433 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.395 -3.823 10.246 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.901 -6.781 9.800 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.593 -6.012 7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.530 -5.224 8.859 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.227 -4.334 8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.743 -6.708 7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.205 -5.059 8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.505 -6.428 9.552 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.740 -6.002 12.328 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.884 -6.247 13.198 1.00 0.00 C ATOM 1119 C ASN A 73 -2.595 -5.779 14.621 1.00 0.00 C ATOM 1120 O ASN A 73 -3.329 -4.961 15.178 1.00 0.00 O ATOM 1121 CB ASN A 73 -3.238 -7.735 13.202 1.00 0.00 C ATOM 1122 CG ASN A 73 -4.719 -7.977 13.427 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -5.518 -7.911 12.493 1.00 0.00 O ATOM 1124 ND2 ASN A 73 -5.090 -8.257 14.671 1.00 0.00 N ATOM 0 H ASN A 73 -0.977 -6.670 12.436 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.731 -5.679 12.812 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.940 -8.179 12.252 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.668 -8.239 13.982 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.073 -8.428 14.884 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.392 -8.301 15.414 1.00 0.00 H new ATOM 1131 N LEU A 74 -1.522 -6.301 15.204 1.00 0.00 N ATOM 1132 CA LEU A 74 -1.134 -5.936 16.562 1.00 0.00 C ATOM 1133 C LEU A 74 -1.233 -4.428 16.770 1.00 0.00 C ATOM 1134 O LEU A 74 -1.641 -3.964 17.835 1.00 0.00 O ATOM 1135 CB LEU A 74 0.291 -6.410 16.852 1.00 0.00 C ATOM 1136 CG LEU A 74 0.471 -7.916 17.047 1.00 0.00 C ATOM 1137 CD1 LEU A 74 1.947 -8.270 17.139 1.00 0.00 C ATOM 1138 CD2 LEU A 74 -0.270 -8.385 18.291 1.00 0.00 C ATOM 0 H LEU A 74 -0.905 -6.979 14.757 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.820 -6.425 17.253 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.933 -6.091 16.031 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.646 -5.903 17.749 1.00 0.00 H new ATOM 0 HG LEU A 74 0.049 -8.428 16.182 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.055 -9.346 17.278 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.451 -7.970 16.220 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.394 -7.748 17.985 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.131 -9.459 18.414 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.122 -7.866 19.165 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.333 -8.167 18.186 1.00 0.00 H new ATOM 1150 N ASP A 75 -0.860 -3.670 15.746 1.00 0.00 N ATOM 1151 CA ASP A 75 -0.910 -2.214 15.815 1.00 0.00 C ATOM 1152 C ASP A 75 -2.216 -1.686 15.230 1.00 0.00 C ATOM 1153 O ASP A 75 -2.922 -2.402 14.520 1.00 0.00 O ATOM 1154 CB ASP A 75 0.279 -1.606 15.069 1.00 0.00 C ATOM 1155 CG ASP A 75 1.488 -1.414 15.964 1.00 0.00 C ATOM 1156 OD1 ASP A 75 1.907 -2.394 16.614 1.00 0.00 O ATOM 1157 OD2 ASP A 75 2.015 -0.283 16.014 1.00 0.00 O ATOM 0 H ASP A 75 -0.520 -4.039 14.858 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.859 -1.923 16.864 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.548 -2.252 14.233 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.014 -0.644 14.647 1.00 0.00 H new ATOM 1162 N GLN A 76 -2.531 -0.432 15.536 1.00 0.00 N ATOM 1163 CA GLN A 76 -3.754 0.190 15.041 1.00 0.00 C ATOM 1164 C GLN A 76 -3.479 1.012 13.787 1.00 0.00 C ATOM 1165 O GLN A 76 -2.438 1.659 13.674 1.00 0.00 O ATOM 1166 CB GLN A 76 -4.372 1.079 16.122 1.00 0.00 C ATOM 1167 CG GLN A 76 -3.475 2.229 16.550 1.00 0.00 C ATOM 1168 CD GLN A 76 -4.258 3.420 17.065 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -5.477 3.353 17.229 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -3.562 4.521 17.324 1.00 0.00 N ATOM 0 H GLN A 76 -1.957 0.173 16.124 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.457 -0.603 14.786 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.315 1.483 15.753 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.606 0.468 16.994 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.794 1.883 17.328 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.862 2.540 15.704 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.553 4.534 17.174 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.036 5.354 17.673 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.417 0.980 12.847 1.00 0.00 N ATOM 1180 CA TRP A 77 -4.274 1.722 11.600 1.00 0.00 C ATOM 1181 C TRP A 77 -5.483 2.620 11.359 1.00 0.00 C ATOM 1182 O TRP A 77 -6.531 2.449 11.983 1.00 0.00 O ATOM 1183 CB TRP A 77 -4.099 0.757 10.426 1.00 0.00 C ATOM 1184 CG TRP A 77 -2.803 0.005 10.464 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -2.319 -0.741 11.501 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -1.827 -0.074 9.420 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -1.100 -1.278 11.164 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -0.776 -0.885 9.893 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -1.739 0.459 8.131 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.347 -1.172 9.121 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -0.623 0.174 7.367 1.00 0.00 C ATOM 1192 CH2 TRP A 77 0.407 -0.636 7.864 1.00 0.00 C ATOM 0 H TRP A 77 -5.284 0.448 12.925 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.387 2.351 11.680 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.924 0.045 10.424 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.159 1.317 9.493 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.821 -0.887 12.446 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.529 -1.873 11.764 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -2.529 1.082 7.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 1.142 -1.796 9.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -0.543 0.582 6.370 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.266 -0.841 7.242 1.00 0.00 H new ATOM 1203 N THR A 78 -5.331 3.579 10.451 1.00 0.00 N ATOM 1204 CA THR A 78 -6.409 4.505 10.130 1.00 0.00 C ATOM 1205 C THR A 78 -6.695 4.518 8.632 1.00 0.00 C ATOM 1206 O THR A 78 -5.776 4.465 7.815 1.00 0.00 O ATOM 1207 CB THR A 78 -6.077 5.937 10.590 1.00 0.00 C ATOM 1208 OG1 THR A 78 -4.919 6.418 9.898 1.00 0.00 O ATOM 1209 CG2 THR A 78 -5.831 5.979 12.091 1.00 0.00 C ATOM 0 H THR A 78 -4.471 3.734 9.925 1.00 0.00 H new ATOM 0 HA THR A 78 -7.293 4.156 10.663 1.00 0.00 H new ATOM 0 HB THR A 78 -6.929 6.576 10.359 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.716 7.330 10.195 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.598 7.000 12.393 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.724 5.640 12.616 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.994 5.327 12.341 1.00 0.00 H new ATOM 1217 N ALA A 79 -7.974 4.590 8.279 1.00 0.00 N ATOM 1218 CA ALA A 79 -8.379 4.613 6.879 1.00 0.00 C ATOM 1219 C ALA A 79 -7.404 5.430 6.038 1.00 0.00 C ATOM 1220 O ALA A 79 -6.985 4.999 4.964 1.00 0.00 O ATOM 1221 CB ALA A 79 -9.788 5.171 6.747 1.00 0.00 C ATOM 0 H ALA A 79 -8.747 4.633 8.943 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.369 3.589 6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.078 5.183 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.482 4.544 7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.816 6.186 7.142 1.00 0.00 H new ATOM 1227 N GLU A 80 -7.048 6.611 6.534 1.00 0.00 N ATOM 1228 CA GLU A 80 -6.123 7.488 5.826 1.00 0.00 C ATOM 1229 C GLU A 80 -4.845 6.742 5.450 1.00 0.00 C ATOM 1230 O GLU A 80 -4.410 6.778 4.300 1.00 0.00 O ATOM 1231 CB GLU A 80 -5.781 8.706 6.686 1.00 0.00 C ATOM 1232 CG GLU A 80 -4.921 9.735 5.970 1.00 0.00 C ATOM 1233 CD GLU A 80 -4.281 10.725 6.924 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -4.149 10.395 8.121 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -3.912 11.830 6.473 1.00 0.00 O ATOM 0 H GLU A 80 -7.386 6.982 7.422 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.610 7.824 4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.706 9.182 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.261 8.372 7.584 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.141 9.223 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.533 10.275 5.248 1.00 0.00 H new ATOM 1242 N GLN A 81 -4.251 6.068 6.429 1.00 0.00 N ATOM 1243 CA GLN A 81 -3.023 5.315 6.202 1.00 0.00 C ATOM 1244 C GLN A 81 -3.279 4.118 5.293 1.00 0.00 C ATOM 1245 O GLN A 81 -2.459 3.791 4.435 1.00 0.00 O ATOM 1246 CB GLN A 81 -2.435 4.843 7.533 1.00 0.00 C ATOM 1247 CG GLN A 81 -2.398 5.926 8.600 1.00 0.00 C ATOM 1248 CD GLN A 81 -1.094 6.699 8.601 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -0.544 7.014 7.545 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -0.591 7.010 9.790 1.00 0.00 N ATOM 0 H GLN A 81 -4.600 6.028 7.387 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.308 5.975 5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.021 4.001 7.902 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.423 4.476 7.364 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.226 6.617 8.440 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.547 5.471 9.579 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.080 6.729 10.640 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.284 7.530 9.853 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.422 3.468 5.487 1.00 0.00 N ATOM 1260 CA ILE A 82 -4.786 2.307 4.683 1.00 0.00 C ATOM 1261 C ILE A 82 -4.652 2.606 3.194 1.00 0.00 C ATOM 1262 O ILE A 82 -3.951 1.900 2.470 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.226 1.849 4.976 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -6.358 1.409 6.436 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -6.624 0.719 4.039 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.322 0.391 6.856 1.00 0.00 C ATOM 0 H ILE A 82 -5.111 3.725 6.193 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.097 1.507 4.954 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.900 2.689 4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.277 2.285 7.080 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.352 0.990 6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.645 0.406 4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.565 1.064 3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.948 -0.125 4.179 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.476 0.125 7.902 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.417 -0.501 6.237 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.325 0.814 6.732 1.00 0.00 H new ATOM 1278 N GLN A 83 -5.328 3.658 2.744 1.00 0.00 N ATOM 1279 CA GLN A 83 -5.284 4.051 1.341 1.00 0.00 C ATOM 1280 C GLN A 83 -3.881 3.873 0.769 1.00 0.00 C ATOM 1281 O GLN A 83 -3.696 3.216 -0.256 1.00 0.00 O ATOM 1282 CB GLN A 83 -5.731 5.505 1.182 1.00 0.00 C ATOM 1283 CG GLN A 83 -5.893 5.937 -0.267 1.00 0.00 C ATOM 1284 CD GLN A 83 -6.906 5.095 -1.017 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -8.030 5.532 -1.266 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -6.512 3.881 -1.382 1.00 0.00 N ATOM 0 H GLN A 83 -5.913 4.253 3.331 1.00 0.00 H new ATOM 0 HA GLN A 83 -5.967 3.406 0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.679 5.644 1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.003 6.155 1.667 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.201 6.982 -0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.929 5.873 -0.771 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.571 3.560 -1.154 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -7.150 3.269 -1.890 1.00 0.00 H new ATOM 1295 N CYS A 84 -2.896 4.461 1.439 1.00 0.00 N ATOM 1296 CA CYS A 84 -1.509 4.368 0.997 1.00 0.00 C ATOM 1297 C CYS A 84 -1.142 2.927 0.658 1.00 0.00 C ATOM 1298 O CYS A 84 -0.747 2.626 -0.468 1.00 0.00 O ATOM 1299 CB CYS A 84 -0.570 4.905 2.079 1.00 0.00 C ATOM 1300 SG CYS A 84 -0.717 6.684 2.367 1.00 0.00 S ATOM 0 H CYS A 84 -3.032 5.007 2.290 1.00 0.00 H new ATOM 0 HA CYS A 84 -1.399 4.973 0.097 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -0.770 4.379 3.012 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.458 4.677 1.799 1.00 0.00 H new ATOM 0 HG CYS A 84 0.114 7.043 3.300 1.00 0.00 H new ATOM 1306 N MET A 85 -1.274 2.041 1.640 1.00 0.00 N ATOM 1307 CA MET A 85 -0.956 0.632 1.444 1.00 0.00 C ATOM 1308 C MET A 85 -1.353 0.173 0.045 1.00 0.00 C ATOM 1309 O MET A 85 -0.592 -0.519 -0.630 1.00 0.00 O ATOM 1310 CB MET A 85 -1.666 -0.224 2.495 1.00 0.00 C ATOM 1311 CG MET A 85 -1.176 0.025 3.913 1.00 0.00 C ATOM 1312 SD MET A 85 0.595 -0.255 4.095 1.00 0.00 S ATOM 1313 CE MET A 85 0.746 -1.912 3.432 1.00 0.00 C ATOM 0 H MET A 85 -1.599 2.274 2.578 1.00 0.00 H new ATOM 0 HA MET A 85 0.122 0.511 1.554 1.00 0.00 H new ATOM 0 HB2 MET A 85 -2.737 -0.027 2.449 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.525 -1.277 2.250 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.409 1.051 4.199 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.715 -0.628 4.599 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.751 -2.289 3.621 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.017 -2.564 3.913 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.562 -1.892 2.358 1.00 0.00 H new ATOM 1323 N GLN A 86 -2.550 0.563 -0.383 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.047 0.191 -1.702 1.00 0.00 C ATOM 1325 C GLN A 86 -2.420 1.060 -2.786 1.00 0.00 C ATOM 1326 O GLN A 86 -1.947 0.554 -3.805 1.00 0.00 O ATOM 1327 CB GLN A 86 -4.571 0.317 -1.749 1.00 0.00 C ATOM 1328 CG GLN A 86 -5.287 -0.569 -0.742 1.00 0.00 C ATOM 1329 CD GLN A 86 -5.413 0.083 0.621 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -5.865 1.223 0.738 1.00 0.00 O ATOM 1331 NE2 GLN A 86 -5.015 -0.639 1.662 1.00 0.00 N ATOM 0 H GLN A 86 -3.193 1.136 0.164 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.768 -0.846 -1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.847 1.356 -1.567 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -4.917 0.066 -2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.281 -0.811 -1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.746 -1.510 -0.642 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.647 -1.579 1.519 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.078 -0.253 2.604 1.00 0.00 H new ATOM 1340 N ASP A 87 -2.418 2.369 -2.561 1.00 0.00 N ATOM 1341 CA ASP A 87 -1.848 3.309 -3.519 1.00 0.00 C ATOM 1342 C ASP A 87 -0.417 2.918 -3.878 1.00 0.00 C ATOM 1343 O ASP A 87 0.056 3.199 -4.978 1.00 0.00 O ATOM 1344 CB ASP A 87 -1.875 4.729 -2.951 1.00 0.00 C ATOM 1345 CG ASP A 87 -3.213 5.410 -3.159 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -4.249 4.713 -3.102 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -3.226 6.639 -3.376 1.00 0.00 O ATOM 0 H ASP A 87 -2.805 2.804 -1.723 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.453 3.278 -4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.650 4.695 -1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.092 5.321 -3.424 1.00 0.00 H new ATOM 1352 N MET A 88 0.266 2.270 -2.940 1.00 0.00 N ATOM 1353 CA MET A 88 1.643 1.841 -3.158 1.00 0.00 C ATOM 1354 C MET A 88 1.721 0.327 -3.325 1.00 0.00 C ATOM 1355 O MET A 88 1.893 -0.176 -4.435 1.00 0.00 O ATOM 1356 CB MET A 88 2.528 2.282 -1.990 1.00 0.00 C ATOM 1357 CG MET A 88 3.997 1.940 -2.178 1.00 0.00 C ATOM 1358 SD MET A 88 4.871 3.158 -3.181 1.00 0.00 S ATOM 1359 CE MET A 88 5.379 2.150 -4.571 1.00 0.00 C ATOM 0 H MET A 88 -0.111 2.031 -2.023 1.00 0.00 H new ATOM 0 HA MET A 88 2.002 2.309 -4.074 1.00 0.00 H new ATOM 0 HB2 MET A 88 2.428 3.359 -1.856 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.168 1.812 -1.075 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.477 1.867 -1.202 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.081 0.960 -2.648 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.467 2.098 -4.604 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.971 1.145 -4.460 1.00 0.00 H new ATOM 0 HE3 MET A 88 5.008 2.592 -5.496 1.00 0.00 H new ATOM 1369 N GLY A 89 1.592 -0.395 -2.216 1.00 0.00 N ATOM 1370 CA GLY A 89 1.651 -1.844 -2.263 1.00 0.00 C ATOM 1371 C GLY A 89 2.908 -2.352 -2.941 1.00 0.00 C ATOM 1372 O GLY A 89 3.664 -1.575 -3.523 1.00 0.00 O ATOM 0 H GLY A 89 1.448 -0.002 -1.286 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.604 -2.239 -1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.777 -2.223 -2.793 1.00 0.00 H new ATOM 1376 N ASN A 90 3.133 -3.659 -2.863 1.00 0.00 N ATOM 1377 CA ASN A 90 4.309 -4.270 -3.473 1.00 0.00 C ATOM 1378 C ASN A 90 4.305 -4.069 -4.985 1.00 0.00 C ATOM 1379 O ASN A 90 5.336 -3.766 -5.586 1.00 0.00 O ATOM 1380 CB ASN A 90 4.362 -5.763 -3.145 1.00 0.00 C ATOM 1381 CG ASN A 90 5.203 -6.057 -1.919 1.00 0.00 C ATOM 1382 OD1 ASN A 90 6.000 -6.996 -1.909 1.00 0.00 O ATOM 1383 ND2 ASN A 90 5.030 -5.253 -0.876 1.00 0.00 N ATOM 0 H ASN A 90 2.517 -4.316 -2.384 1.00 0.00 H new ATOM 0 HA ASN A 90 5.194 -3.783 -3.063 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.349 -6.133 -2.984 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.768 -6.305 -3.999 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.569 -5.402 -0.023 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.358 -4.487 -0.928 1.00 0.00 H new ATOM 1390 N THR A 91 3.136 -4.238 -5.595 1.00 0.00 N ATOM 1391 CA THR A 91 2.996 -4.077 -7.037 1.00 0.00 C ATOM 1392 C THR A 91 3.808 -2.888 -7.538 1.00 0.00 C ATOM 1393 O THR A 91 4.836 -3.056 -8.194 1.00 0.00 O ATOM 1394 CB THR A 91 1.522 -3.884 -7.440 1.00 0.00 C ATOM 1395 OG1 THR A 91 0.716 -4.913 -6.855 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.367 -3.910 -8.954 1.00 0.00 C ATOM 0 H THR A 91 2.272 -4.486 -5.113 1.00 0.00 H new ATOM 0 HA THR A 91 3.374 -4.991 -7.496 1.00 0.00 H new ATOM 0 HB THR A 91 1.192 -2.912 -7.074 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.220 -4.783 -7.114 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.318 -3.772 -9.215 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.959 -3.108 -9.394 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.713 -4.869 -9.339 1.00 0.00 H new ATOM 1404 N LYS A 92 3.340 -1.684 -7.225 1.00 0.00 N ATOM 1405 CA LYS A 92 4.023 -0.465 -7.642 1.00 0.00 C ATOM 1406 C LYS A 92 5.444 -0.421 -7.088 1.00 0.00 C ATOM 1407 O LYS A 92 6.396 -0.142 -7.817 1.00 0.00 O ATOM 1408 CB LYS A 92 3.244 0.766 -7.173 1.00 0.00 C ATOM 1409 CG LYS A 92 1.948 0.991 -7.933 1.00 0.00 C ATOM 1410 CD LYS A 92 0.823 0.130 -7.382 1.00 0.00 C ATOM 1411 CE LYS A 92 -0.528 0.558 -7.935 1.00 0.00 C ATOM 1412 NZ LYS A 92 -1.561 -0.499 -7.753 1.00 0.00 N ATOM 0 H LYS A 92 2.490 -1.527 -6.684 1.00 0.00 H new ATOM 0 HA LYS A 92 4.076 -0.462 -8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.020 0.661 -6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.876 1.648 -7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.667 2.042 -7.872 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.099 0.763 -8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.006 -0.915 -7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.810 0.198 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.852 1.472 -7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.429 0.791 -8.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.467 -0.169 -8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.265 -1.363 -8.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.674 -0.703 -6.740 1.00 0.00 H new ATOM 1426 N ALA A 93 5.580 -0.701 -5.796 1.00 0.00 N ATOM 1427 CA ALA A 93 6.885 -0.697 -5.147 1.00 0.00 C ATOM 1428 C ALA A 93 7.956 -1.279 -6.063 1.00 0.00 C ATOM 1429 O ALA A 93 9.023 -0.692 -6.237 1.00 0.00 O ATOM 1430 CB ALA A 93 6.826 -1.474 -3.840 1.00 0.00 C ATOM 0 H ALA A 93 4.802 -0.933 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 93 7.153 0.337 -4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.807 -1.463 -3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.096 -1.012 -3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.532 -2.504 -4.042 1.00 0.00 H new ATOM 1436 N ARG A 94 7.664 -2.437 -6.646 1.00 0.00 N ATOM 1437 CA ARG A 94 8.603 -3.100 -7.542 1.00 0.00 C ATOM 1438 C ARG A 94 8.805 -2.285 -8.817 1.00 0.00 C ATOM 1439 O ARG A 94 9.922 -2.172 -9.324 1.00 0.00 O ATOM 1440 CB ARG A 94 8.102 -4.502 -7.895 1.00 0.00 C ATOM 1441 CG ARG A 94 8.933 -5.194 -8.963 1.00 0.00 C ATOM 1442 CD ARG A 94 8.153 -6.312 -9.638 1.00 0.00 C ATOM 1443 NE ARG A 94 8.208 -7.556 -8.875 1.00 0.00 N ATOM 1444 CZ ARG A 94 7.615 -8.680 -9.259 1.00 0.00 C ATOM 1445 NH1 ARG A 94 6.926 -8.717 -10.391 1.00 0.00 N ATOM 1446 NH2 ARG A 94 7.711 -9.772 -8.511 1.00 0.00 N ATOM 0 H ARG A 94 6.784 -2.936 -6.514 1.00 0.00 H new ATOM 0 HA ARG A 94 9.560 -3.183 -7.028 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.100 -5.115 -6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.069 -4.434 -8.237 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.247 -4.465 -9.710 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.839 -5.601 -8.514 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.114 -6.007 -9.759 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.554 -6.482 -10.637 1.00 0.00 H new ATOM 0 HE ARG A 94 8.731 -7.562 -7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.850 -7.880 -10.970 1.00 0.00 H new ATOM 0 HH12 ARG A 94 6.472 -9.582 -10.683 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.241 -9.748 -7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.255 -10.635 -8.807 1.00 0.00 H new ATOM 1460 N LEU A 95 7.718 -1.719 -9.329 1.00 0.00 N ATOM 1461 CA LEU A 95 7.774 -0.915 -10.545 1.00 0.00 C ATOM 1462 C LEU A 95 8.315 0.481 -10.249 1.00 0.00 C ATOM 1463 O LEU A 95 8.472 1.302 -11.154 1.00 0.00 O ATOM 1464 CB LEU A 95 6.386 -0.813 -11.178 1.00 0.00 C ATOM 1465 CG LEU A 95 5.611 -2.124 -11.312 1.00 0.00 C ATOM 1466 CD1 LEU A 95 4.162 -1.853 -11.683 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.268 -3.028 -12.345 1.00 0.00 C ATOM 0 H LEU A 95 6.787 -1.802 -8.921 1.00 0.00 H new ATOM 0 HA LEU A 95 8.450 -1.406 -11.245 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.789 -0.120 -10.585 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.493 -0.374 -12.170 1.00 0.00 H new ATOM 0 HG LEU A 95 5.628 -2.634 -10.349 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.627 -2.798 -11.774 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.696 -1.245 -10.908 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.123 -1.321 -12.634 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.703 -3.957 -12.427 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.283 -2.525 -13.312 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.289 -3.251 -12.036 1.00 0.00 H new ATOM 1479 N LEU A 96 8.599 0.742 -8.978 1.00 0.00 N ATOM 1480 CA LEU A 96 9.125 2.039 -8.563 1.00 0.00 C ATOM 1481 C LEU A 96 10.544 1.902 -8.020 1.00 0.00 C ATOM 1482 O LEU A 96 11.505 2.349 -8.647 1.00 0.00 O ATOM 1483 CB LEU A 96 8.218 2.662 -7.501 1.00 0.00 C ATOM 1484 CG LEU A 96 8.289 4.184 -7.367 1.00 0.00 C ATOM 1485 CD1 LEU A 96 9.590 4.600 -6.698 1.00 0.00 C ATOM 1486 CD2 LEU A 96 8.152 4.846 -8.730 1.00 0.00 C ATOM 0 H LEU A 96 8.474 0.074 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 96 9.151 2.690 -9.437 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.188 2.385 -7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.466 2.220 -6.536 1.00 0.00 H new ATOM 0 HG LEU A 96 7.460 4.514 -6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.623 5.686 -6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.647 4.154 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.433 4.258 -7.298 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.205 5.929 -8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.960 4.510 -9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.193 4.574 -9.172 1.00 0.00 H new ATOM 1498 N TYR A 97 10.667 1.280 -6.853 1.00 0.00 N ATOM 1499 CA TYR A 97 11.969 1.085 -6.225 1.00 0.00 C ATOM 1500 C TYR A 97 12.798 0.063 -6.997 1.00 0.00 C ATOM 1501 O TYR A 97 13.966 0.299 -7.302 1.00 0.00 O ATOM 1502 CB TYR A 97 11.796 0.628 -4.775 1.00 0.00 C ATOM 1503 CG TYR A 97 11.279 1.712 -3.857 1.00 0.00 C ATOM 1504 CD1 TYR A 97 12.139 2.658 -3.313 1.00 0.00 C ATOM 1505 CD2 TYR A 97 9.930 1.790 -3.533 1.00 0.00 C ATOM 1506 CE1 TYR A 97 11.671 3.650 -2.473 1.00 0.00 C ATOM 1507 CE2 TYR A 97 9.453 2.779 -2.694 1.00 0.00 C ATOM 1508 CZ TYR A 97 10.327 3.706 -2.167 1.00 0.00 C ATOM 1509 OH TYR A 97 9.857 4.693 -1.331 1.00 0.00 O ATOM 0 H TYR A 97 9.882 0.902 -6.323 1.00 0.00 H new ATOM 0 HA TYR A 97 12.497 2.038 -6.238 1.00 0.00 H new ATOM 0 HB2 TYR A 97 11.108 -0.217 -4.749 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.755 0.271 -4.398 1.00 0.00 H new ATOM 0 HD1 TYR A 97 13.192 2.617 -3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.243 1.065 -3.944 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.353 4.377 -2.058 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.401 2.826 -2.452 1.00 0.00 H new ATOM 0 HH TYR A 97 8.889 4.592 -1.218 1.00 0.00 H new ATOM 1519 N GLU A 98 12.183 -1.074 -7.308 1.00 0.00 N ATOM 1520 CA GLU A 98 12.864 -2.133 -8.044 1.00 0.00 C ATOM 1521 C GLU A 98 12.823 -1.865 -9.546 1.00 0.00 C ATOM 1522 O GLU A 98 12.726 -2.791 -10.350 1.00 0.00 O ATOM 1523 CB GLU A 98 12.224 -3.489 -7.740 1.00 0.00 C ATOM 1524 CG GLU A 98 13.029 -4.671 -8.253 1.00 0.00 C ATOM 1525 CD GLU A 98 12.152 -5.833 -8.677 1.00 0.00 C ATOM 1526 OE1 GLU A 98 11.834 -6.680 -7.816 1.00 0.00 O ATOM 1527 OE2 GLU A 98 11.785 -5.896 -9.869 1.00 0.00 O ATOM 0 H GLU A 98 11.216 -1.285 -7.062 1.00 0.00 H new ATOM 0 HA GLU A 98 13.906 -2.151 -7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.097 -3.588 -6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.228 -3.519 -8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.637 -4.352 -9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.716 -5.004 -7.475 1.00 0.00 H new ATOM 1534 N ALA A 99 12.898 -0.590 -9.916 1.00 0.00 N ATOM 1535 CA ALA A 99 12.871 -0.200 -11.320 1.00 0.00 C ATOM 1536 C ALA A 99 14.228 0.333 -11.767 1.00 0.00 C ATOM 1537 O ALA A 99 14.662 0.085 -12.891 1.00 0.00 O ATOM 1538 CB ALA A 99 11.788 0.843 -11.557 1.00 0.00 C ATOM 0 H ALA A 99 12.978 0.189 -9.263 1.00 0.00 H new ATOM 0 HA ALA A 99 12.644 -1.085 -11.914 1.00 0.00 H new ATOM 0 HB1 ALA A 99 11.779 1.125 -12.610 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.818 0.428 -11.284 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.991 1.723 -10.947 1.00 0.00 H new ATOM 1544 N ASN A 100 14.892 1.066 -10.880 1.00 0.00 N ATOM 1545 CA ASN A 100 16.200 1.635 -11.185 1.00 0.00 C ATOM 1546 C ASN A 100 17.315 0.657 -10.830 1.00 0.00 C ATOM 1547 O ASN A 100 18.467 1.052 -10.642 1.00 0.00 O ATOM 1548 CB ASN A 100 16.398 2.949 -10.426 1.00 0.00 C ATOM 1549 CG ASN A 100 15.758 4.128 -11.134 1.00 0.00 C ATOM 1550 OD1 ASN A 100 16.036 4.388 -12.305 1.00 0.00 O ATOM 1551 ND2 ASN A 100 14.897 4.848 -10.425 1.00 0.00 N ATOM 0 H ASN A 100 14.546 1.280 -9.945 1.00 0.00 H new ATOM 0 HA ASN A 100 16.241 1.832 -12.256 1.00 0.00 H new ATOM 0 HB2 ASN A 100 15.974 2.855 -9.426 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.465 3.138 -10.304 1.00 0.00 H new ATOM 0 HD21 ASN A 100 14.436 5.653 -10.848 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.697 4.596 -9.457 1.00 0.00 H new ATOM 1558 N LEU A 101 16.966 -0.622 -10.739 1.00 0.00 N ATOM 1559 CA LEU A 101 17.938 -1.658 -10.407 1.00 0.00 C ATOM 1560 C LEU A 101 18.852 -1.948 -11.593 1.00 0.00 C ATOM 1561 O LEU A 101 18.493 -1.735 -12.751 1.00 0.00 O ATOM 1562 CB LEU A 101 17.219 -2.939 -9.976 1.00 0.00 C ATOM 1563 CG LEU A 101 16.720 -2.975 -8.532 1.00 0.00 C ATOM 1564 CD1 LEU A 101 16.148 -4.344 -8.199 1.00 0.00 C ATOM 1565 CD2 LEU A 101 17.842 -2.615 -7.570 1.00 0.00 C ATOM 0 H LEU A 101 16.018 -0.966 -10.890 1.00 0.00 H new ATOM 0 HA LEU A 101 18.551 -1.296 -9.581 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.367 -3.094 -10.638 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.896 -3.780 -10.126 1.00 0.00 H new ATOM 0 HG LEU A 101 15.926 -2.236 -8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.798 -4.351 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.314 -4.562 -8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 101 16.921 -5.102 -8.325 1.00 0.00 H new ATOM 0 HD21 LEU A 101 17.468 -2.646 -6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 101 18.658 -3.329 -7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 101 18.205 -1.612 -7.793 1.00 0.00 H new ATOM 1664 N ARG A 107 19.447 -9.910 -5.724 1.00 0.00 N ATOM 1665 CA ARG A 107 18.747 -9.788 -4.451 1.00 0.00 C ATOM 1666 C ARG A 107 19.585 -10.363 -3.312 1.00 0.00 C ATOM 1667 O ARG A 107 19.987 -11.527 -3.332 1.00 0.00 O ATOM 1668 CB ARG A 107 17.397 -10.503 -4.516 1.00 0.00 C ATOM 1669 CG ARG A 107 16.329 -9.869 -3.639 1.00 0.00 C ATOM 1670 CD ARG A 107 14.973 -10.523 -3.852 1.00 0.00 C ATOM 1671 NE ARG A 107 14.440 -10.258 -5.185 1.00 0.00 N ATOM 1672 CZ ARG A 107 13.770 -9.156 -5.503 1.00 0.00 C ATOM 1673 NH1 ARG A 107 13.552 -8.221 -4.588 1.00 0.00 N ATOM 1674 NH2 ARG A 107 13.317 -8.987 -6.738 1.00 0.00 N ATOM 0 HA ARG A 107 18.580 -8.728 -4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.049 -10.511 -5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 107 17.531 -11.542 -4.217 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.617 -9.958 -2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.259 -8.804 -3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.063 -11.599 -3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.272 -10.156 -3.102 1.00 0.00 H new ATOM 0 HE ARG A 107 14.590 -10.957 -5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.899 -8.347 -3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 107 13.037 -7.376 -4.835 1.00 0.00 H new ATOM 0 HH21 ARG A 107 13.483 -9.704 -7.445 1.00 0.00 H new ATOM 0 HH22 ARG A 107 12.803 -8.140 -6.981 1.00 0.00 H new ATOM 1688 N PRO A 108 19.855 -9.530 -2.297 1.00 0.00 N ATOM 1689 CA PRO A 108 20.647 -9.934 -1.131 1.00 0.00 C ATOM 1690 C PRO A 108 19.908 -10.931 -0.245 1.00 0.00 C ATOM 1691 O PRO A 108 18.717 -10.773 0.021 1.00 0.00 O ATOM 1692 CB PRO A 108 20.873 -8.618 -0.382 1.00 0.00 C ATOM 1693 CG PRO A 108 19.732 -7.750 -0.789 1.00 0.00 C ATOM 1694 CD PRO A 108 19.408 -8.130 -2.208 1.00 0.00 C ATOM 0 HA PRO A 108 21.568 -10.440 -1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 108 20.887 -8.774 0.697 1.00 0.00 H new ATOM 0 HB3 PRO A 108 21.829 -8.168 -0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 108 18.872 -7.905 -0.137 1.00 0.00 H new ATOM 0 HG3 PRO A 108 19.999 -6.696 -0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 108 18.342 -8.034 -2.416 1.00 0.00 H new ATOM 0 HD3 PRO A 108 19.931 -7.495 -2.923 1.00 0.00 H new ATOM 1702 N GLN A 109 20.623 -11.956 0.208 1.00 0.00 N ATOM 1703 CA GLN A 109 20.033 -12.978 1.064 1.00 0.00 C ATOM 1704 C GLN A 109 20.428 -12.763 2.521 1.00 0.00 C ATOM 1705 O GLN A 109 19.620 -12.955 3.430 1.00 0.00 O ATOM 1706 CB GLN A 109 20.470 -14.371 0.605 1.00 0.00 C ATOM 1707 CG GLN A 109 19.797 -14.827 -0.680 1.00 0.00 C ATOM 1708 CD GLN A 109 18.288 -14.894 -0.556 1.00 0.00 C ATOM 1709 OE1 GLN A 109 17.730 -15.924 -0.177 1.00 0.00 O ATOM 1710 NE2 GLN A 109 17.618 -13.793 -0.877 1.00 0.00 N ATOM 0 H GLN A 109 21.610 -12.100 -0.003 1.00 0.00 H new ATOM 0 HA GLN A 109 18.949 -12.900 0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.550 -14.375 0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 109 20.252 -15.090 1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 109 20.061 -14.143 -1.487 1.00 0.00 H new ATOM 0 HG3 GLN A 109 20.179 -15.810 -0.957 1.00 0.00 H new ATOM 0 HE21 GLN A 109 18.121 -12.962 -1.186 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.600 -13.779 -0.814 1.00 0.00 H new ATOM 1719 N THR A 110 21.677 -12.362 2.737 1.00 0.00 N ATOM 1720 CA THR A 110 22.181 -12.122 4.084 1.00 0.00 C ATOM 1721 C THR A 110 21.869 -10.701 4.541 1.00 0.00 C ATOM 1722 O THR A 110 21.740 -9.790 3.724 1.00 0.00 O ATOM 1723 CB THR A 110 23.701 -12.353 4.165 1.00 0.00 C ATOM 1724 OG1 THR A 110 24.379 -11.479 3.256 1.00 0.00 O ATOM 1725 CG2 THR A 110 24.046 -13.799 3.840 1.00 0.00 C ATOM 0 H THR A 110 22.358 -12.197 1.996 1.00 0.00 H new ATOM 0 HA THR A 110 21.678 -12.832 4.741 1.00 0.00 H new ATOM 0 HB THR A 110 24.025 -12.139 5.183 1.00 0.00 H new ATOM 0 HG1 THR A 110 25.276 -11.829 3.073 1.00 0.00 H new ATOM 0 HG21 THR A 110 25.125 -13.939 3.903 1.00 0.00 H new ATOM 0 HG22 THR A 110 23.552 -14.460 4.552 1.00 0.00 H new ATOM 0 HG23 THR A 110 23.708 -14.036 2.831 1.00 0.00 H new ATOM 1733 N ASP A 111 21.751 -10.520 5.852 1.00 0.00 N ATOM 1734 CA ASP A 111 21.457 -9.209 6.419 1.00 0.00 C ATOM 1735 C ASP A 111 22.540 -8.201 6.049 1.00 0.00 C ATOM 1736 O ASP A 111 22.243 -7.077 5.645 1.00 0.00 O ATOM 1737 CB ASP A 111 21.330 -9.304 7.940 1.00 0.00 C ATOM 1738 CG ASP A 111 20.383 -8.265 8.508 1.00 0.00 C ATOM 1739 OD1 ASP A 111 20.318 -7.151 7.948 1.00 0.00 O ATOM 1740 OD2 ASP A 111 19.705 -8.567 9.513 1.00 0.00 O ATOM 0 H ASP A 111 21.854 -11.264 6.542 1.00 0.00 H new ATOM 0 HA ASP A 111 20.509 -8.866 6.004 1.00 0.00 H new ATOM 0 HB2 ASP A 111 20.978 -10.299 8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 111 22.314 -9.180 8.392 1.00 0.00 H new ATOM 1745 N GLN A 112 23.796 -8.611 6.190 1.00 0.00 N ATOM 1746 CA GLN A 112 24.924 -7.743 5.872 1.00 0.00 C ATOM 1747 C GLN A 112 24.638 -6.916 4.623 1.00 0.00 C ATOM 1748 O GLN A 112 25.056 -5.763 4.522 1.00 0.00 O ATOM 1749 CB GLN A 112 26.193 -8.573 5.670 1.00 0.00 C ATOM 1750 CG GLN A 112 26.055 -9.644 4.600 1.00 0.00 C ATOM 1751 CD GLN A 112 27.386 -10.260 4.217 1.00 0.00 C ATOM 1752 OE1 GLN A 112 28.194 -9.641 3.525 1.00 0.00 O ATOM 1753 NE2 GLN A 112 27.622 -11.487 4.667 1.00 0.00 N ATOM 0 H GLN A 112 24.059 -9.539 6.522 1.00 0.00 H new ATOM 0 HA GLN A 112 25.074 -7.062 6.710 1.00 0.00 H new ATOM 0 HB2 GLN A 112 27.014 -7.908 5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 112 26.462 -9.047 6.614 1.00 0.00 H new ATOM 0 HG2 GLN A 112 25.386 -10.427 4.959 1.00 0.00 H new ATOM 0 HG3 GLN A 112 25.591 -9.210 3.714 1.00 0.00 H new ATOM 0 HE21 GLN A 112 26.924 -11.964 5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 112 28.501 -11.953 4.442 1.00 0.00 H new ATOM 1762 N ALA A 113 23.925 -7.514 3.674 1.00 0.00 N ATOM 1763 CA ALA A 113 23.583 -6.832 2.432 1.00 0.00 C ATOM 1764 C ALA A 113 22.214 -6.167 2.530 1.00 0.00 C ATOM 1765 O ALA A 113 22.103 -4.942 2.484 1.00 0.00 O ATOM 1766 CB ALA A 113 23.615 -7.810 1.267 1.00 0.00 C ATOM 0 H ALA A 113 23.573 -8.469 3.742 1.00 0.00 H new ATOM 0 HA ALA A 113 24.325 -6.052 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.358 -7.287 0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 113 24.615 -8.235 1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 113 22.896 -8.610 1.443 1.00 0.00 H new ATOM 1772 N VAL A 114 21.173 -6.983 2.665 1.00 0.00 N ATOM 1773 CA VAL A 114 19.811 -6.474 2.770 1.00 0.00 C ATOM 1774 C VAL A 114 19.775 -5.155 3.533 1.00 0.00 C ATOM 1775 O VAL A 114 19.247 -4.158 3.042 1.00 0.00 O ATOM 1776 CB VAL A 114 18.886 -7.486 3.471 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.510 -6.881 3.703 1.00 0.00 C ATOM 1778 CG2 VAL A 114 18.784 -8.767 2.657 1.00 0.00 C ATOM 0 H VAL A 114 21.247 -8.000 2.704 1.00 0.00 H new ATOM 0 HA VAL A 114 19.454 -6.312 1.753 1.00 0.00 H new ATOM 0 HB VAL A 114 19.316 -7.733 4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 114 16.871 -7.611 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.603 -5.995 4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.069 -6.603 2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.126 -9.471 3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 114 18.378 -8.540 1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 114 19.774 -9.209 2.549 1.00 0.00 H new ATOM 1788 N GLU A 115 20.340 -5.158 4.736 1.00 0.00 N ATOM 1789 CA GLU A 115 20.371 -3.960 5.568 1.00 0.00 C ATOM 1790 C GLU A 115 20.727 -2.730 4.737 1.00 0.00 C ATOM 1791 O GLU A 115 20.062 -1.697 4.822 1.00 0.00 O ATOM 1792 CB GLU A 115 21.380 -4.129 6.706 1.00 0.00 C ATOM 1793 CG GLU A 115 21.315 -3.023 7.746 1.00 0.00 C ATOM 1794 CD GLU A 115 22.189 -1.836 7.390 1.00 0.00 C ATOM 1795 OE1 GLU A 115 23.068 -1.986 6.516 1.00 0.00 O ATOM 1796 OE2 GLU A 115 21.992 -0.756 7.986 1.00 0.00 O ATOM 0 H GLU A 115 20.782 -5.975 5.156 1.00 0.00 H new ATOM 0 HA GLU A 115 19.377 -3.816 5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.206 -5.087 7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.386 -4.163 6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 115 20.283 -2.690 7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 115 21.624 -3.420 8.713 1.00 0.00 H new ATOM 1803 N PHE A 116 21.779 -2.849 3.935 1.00 0.00 N ATOM 1804 CA PHE A 116 22.225 -1.748 3.089 1.00 0.00 C ATOM 1805 C PHE A 116 21.300 -1.576 1.887 1.00 0.00 C ATOM 1806 O PHE A 116 20.813 -0.479 1.616 1.00 0.00 O ATOM 1807 CB PHE A 116 23.659 -1.990 2.614 1.00 0.00 C ATOM 1808 CG PHE A 116 24.700 -1.563 3.608 1.00 0.00 C ATOM 1809 CD1 PHE A 116 24.802 -0.238 3.999 1.00 0.00 C ATOM 1810 CD2 PHE A 116 25.577 -2.488 4.152 1.00 0.00 C ATOM 1811 CE1 PHE A 116 25.760 0.157 4.914 1.00 0.00 C ATOM 1812 CE2 PHE A 116 26.537 -2.099 5.068 1.00 0.00 C ATOM 1813 CZ PHE A 116 26.628 -0.775 5.450 1.00 0.00 C ATOM 0 H PHE A 116 22.339 -3.697 3.853 1.00 0.00 H new ATOM 0 HA PHE A 116 22.196 -0.833 3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 116 23.788 -3.051 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 116 23.819 -1.453 1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 116 24.125 0.495 3.584 1.00 0.00 H new ATOM 0 HD2 PHE A 116 25.510 -3.525 3.857 1.00 0.00 H new ATOM 0 HE1 PHE A 116 25.830 1.193 5.210 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.215 -2.830 5.484 1.00 0.00 H new ATOM 0 HZ PHE A 116 27.376 -0.469 6.166 1.00 0.00 H new ATOM 1823 N PHE A 117 21.063 -2.670 1.170 1.00 0.00 N ATOM 1824 CA PHE A 117 20.199 -2.641 -0.004 1.00 0.00 C ATOM 1825 C PHE A 117 18.952 -1.802 0.259 1.00 0.00 C ATOM 1826 O PHE A 117 18.560 -0.977 -0.568 1.00 0.00 O ATOM 1827 CB PHE A 117 19.796 -4.063 -0.401 1.00 0.00 C ATOM 1828 CG PHE A 117 18.855 -4.114 -1.571 1.00 0.00 C ATOM 1829 CD1 PHE A 117 19.291 -3.779 -2.843 1.00 0.00 C ATOM 1830 CD2 PHE A 117 17.535 -4.499 -1.399 1.00 0.00 C ATOM 1831 CE1 PHE A 117 18.427 -3.824 -3.921 1.00 0.00 C ATOM 1832 CE2 PHE A 117 16.667 -4.547 -2.474 1.00 0.00 C ATOM 1833 CZ PHE A 117 17.114 -4.210 -3.736 1.00 0.00 C ATOM 0 H PHE A 117 21.457 -3.587 1.382 1.00 0.00 H new ATOM 0 HA PHE A 117 20.756 -2.186 -0.823 1.00 0.00 H new ATOM 0 HB2 PHE A 117 20.694 -4.633 -0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 117 19.328 -4.551 0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 117 20.318 -3.479 -2.994 1.00 0.00 H new ATOM 0 HD2 PHE A 117 17.180 -4.765 -0.414 1.00 0.00 H new ATOM 0 HE1 PHE A 117 18.778 -3.558 -4.907 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.640 -4.848 -2.327 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.438 -4.248 -4.577 1.00 0.00 H new ATOM 1843 N ILE A 118 18.333 -2.018 1.415 1.00 0.00 N ATOM 1844 CA ILE A 118 17.131 -1.282 1.787 1.00 0.00 C ATOM 1845 C ILE A 118 17.452 0.179 2.085 1.00 0.00 C ATOM 1846 O ILE A 118 16.680 1.076 1.748 1.00 0.00 O ATOM 1847 CB ILE A 118 16.446 -1.907 3.016 1.00 0.00 C ATOM 1848 CG1 ILE A 118 15.999 -3.337 2.706 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.261 -1.059 3.451 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.430 -4.066 3.903 1.00 0.00 C ATOM 0 H ILE A 118 18.644 -2.697 2.110 1.00 0.00 H new ATOM 0 HA ILE A 118 16.451 -1.336 0.937 1.00 0.00 H new ATOM 0 HB ILE A 118 17.164 -1.940 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.248 -3.311 1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 118 16.849 -3.899 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 118 14.788 -1.514 4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 118 15.605 -0.057 3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 118 14.540 -0.997 2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.134 -5.073 3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.185 -4.124 4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.560 -3.527 4.277 1.00 0.00 H new ATOM 1862 N ARG A 119 18.597 0.410 2.719 1.00 0.00 N ATOM 1863 CA ARG A 119 19.021 1.762 3.062 1.00 0.00 C ATOM 1864 C ARG A 119 19.298 2.581 1.805 1.00 0.00 C ATOM 1865 O ARG A 119 18.672 3.615 1.575 1.00 0.00 O ATOM 1866 CB ARG A 119 20.272 1.719 3.942 1.00 0.00 C ATOM 1867 CG ARG A 119 19.968 1.664 5.431 1.00 0.00 C ATOM 1868 CD ARG A 119 21.242 1.589 6.257 1.00 0.00 C ATOM 1869 NE ARG A 119 21.860 2.901 6.431 1.00 0.00 N ATOM 1870 CZ ARG A 119 21.516 3.754 7.389 1.00 0.00 C ATOM 1871 NH1 ARG A 119 20.564 3.435 8.256 1.00 0.00 N ATOM 1872 NH2 ARG A 119 22.124 4.929 7.483 1.00 0.00 N ATOM 0 H ARG A 119 19.248 -0.322 3.005 1.00 0.00 H new ATOM 0 HA ARG A 119 18.212 2.240 3.615 1.00 0.00 H new ATOM 0 HB2 ARG A 119 20.868 0.848 3.669 1.00 0.00 H new ATOM 0 HB3 ARG A 119 20.881 2.599 3.736 1.00 0.00 H new ATOM 0 HG2 ARG A 119 19.397 2.547 5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 119 19.343 0.797 5.644 1.00 0.00 H new ATOM 0 HD2 ARG A 119 21.016 1.162 7.234 1.00 0.00 H new ATOM 0 HD3 ARG A 119 21.949 0.917 5.772 1.00 0.00 H new ATOM 0 HE ARG A 119 22.596 3.177 5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 119 20.094 2.532 8.188 1.00 0.00 H new ATOM 0 HH12 ARG A 119 20.302 4.092 8.991 1.00 0.00 H new ATOM 0 HH21 ARG A 119 22.857 5.179 6.819 1.00 0.00 H new ATOM 0 HH22 ARG A 119 21.859 5.583 8.219 1.00 0.00 H new ATOM 1886 N ASP A 120 20.240 2.111 0.995 1.00 0.00 N ATOM 1887 CA ASP A 120 20.601 2.798 -0.239 1.00 0.00 C ATOM 1888 C ASP A 120 19.436 2.792 -1.225 1.00 0.00 C ATOM 1889 O ASP A 120 19.462 3.491 -2.238 1.00 0.00 O ATOM 1890 CB ASP A 120 21.827 2.142 -0.875 1.00 0.00 C ATOM 1891 CG ASP A 120 22.998 2.051 0.084 1.00 0.00 C ATOM 1892 OD1 ASP A 120 22.760 1.853 1.294 1.00 0.00 O ATOM 1893 OD2 ASP A 120 24.152 2.178 -0.376 1.00 0.00 O ATOM 0 H ASP A 120 20.768 1.256 1.171 1.00 0.00 H new ATOM 0 HA ASP A 120 20.840 3.832 0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.563 1.141 -1.218 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.125 2.712 -1.755 1.00 0.00 H new ATOM 1898 N LYS A 121 18.416 1.996 -0.922 1.00 0.00 N ATOM 1899 CA LYS A 121 17.241 1.897 -1.780 1.00 0.00 C ATOM 1900 C LYS A 121 16.189 2.928 -1.382 1.00 0.00 C ATOM 1901 O LYS A 121 15.589 3.578 -2.238 1.00 0.00 O ATOM 1902 CB LYS A 121 16.646 0.490 -1.704 1.00 0.00 C ATOM 1903 CG LYS A 121 15.277 0.373 -2.350 1.00 0.00 C ATOM 1904 CD LYS A 121 15.028 -1.029 -2.882 1.00 0.00 C ATOM 1905 CE LYS A 121 15.298 -1.114 -4.376 1.00 0.00 C ATOM 1906 NZ LYS A 121 16.757 -1.128 -4.676 1.00 0.00 N ATOM 0 H LYS A 121 18.379 1.410 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 121 17.552 2.098 -2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.327 -0.210 -2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.572 0.192 -0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.507 0.629 -1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 121 15.196 1.092 -3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.666 -1.738 -2.355 1.00 0.00 H new ATOM 0 HD3 LYS A 121 13.996 -1.318 -2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.836 -2.016 -4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.832 -0.266 -4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 16.900 -1.084 -5.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 17.211 -0.307 -4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 17.179 -2.003 -4.305 1.00 0.00 H new ATOM 1920 N TYR A 122 15.971 3.071 -0.080 1.00 0.00 N ATOM 1921 CA TYR A 122 14.990 4.022 0.430 1.00 0.00 C ATOM 1922 C TYR A 122 15.677 5.257 1.006 1.00 0.00 C ATOM 1923 O TYR A 122 15.291 6.388 0.713 1.00 0.00 O ATOM 1924 CB TYR A 122 14.120 3.363 1.502 1.00 0.00 C ATOM 1925 CG TYR A 122 13.184 2.308 0.957 1.00 0.00 C ATOM 1926 CD1 TYR A 122 13.646 1.033 0.651 1.00 0.00 C ATOM 1927 CD2 TYR A 122 11.839 2.585 0.747 1.00 0.00 C ATOM 1928 CE1 TYR A 122 12.795 0.066 0.152 1.00 0.00 C ATOM 1929 CE2 TYR A 122 10.981 1.624 0.250 1.00 0.00 C ATOM 1930 CZ TYR A 122 11.463 0.366 -0.046 1.00 0.00 C ATOM 1931 OH TYR A 122 10.612 -0.594 -0.543 1.00 0.00 O ATOM 0 H TYR A 122 16.460 2.541 0.642 1.00 0.00 H new ATOM 0 HA TYR A 122 14.358 4.334 -0.401 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.766 2.910 2.254 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.534 4.132 2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 122 14.688 0.794 0.806 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.458 3.569 0.976 1.00 0.00 H new ATOM 0 HE1 TYR A 122 13.170 -0.919 -0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 122 9.938 1.856 0.094 1.00 0.00 H new ATOM 0 HH TYR A 122 9.709 -0.222 -0.622 1.00 0.00 H new ATOM 1941 N GLU A 123 16.698 5.030 1.826 1.00 0.00 N ATOM 1942 CA GLU A 123 17.439 6.124 2.443 1.00 0.00 C ATOM 1943 C GLU A 123 18.119 6.987 1.384 1.00 0.00 C ATOM 1944 O GLU A 123 17.792 8.163 1.221 1.00 0.00 O ATOM 1945 CB GLU A 123 18.485 5.576 3.417 1.00 0.00 C ATOM 1946 CG GLU A 123 18.870 6.557 4.512 1.00 0.00 C ATOM 1947 CD GLU A 123 20.183 6.198 5.180 1.00 0.00 C ATOM 1948 OE1 GLU A 123 21.086 5.692 4.481 1.00 0.00 O ATOM 1949 OE2 GLU A 123 20.308 6.423 6.402 1.00 0.00 O ATOM 0 H GLU A 123 17.031 4.099 2.078 1.00 0.00 H new ATOM 0 HA GLU A 123 16.730 6.744 2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 123 18.100 4.665 3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.379 5.298 2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 123 18.944 7.558 4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 123 18.080 6.586 5.263 1.00 0.00 H new ATOM 1956 N LYS A 124 19.067 6.394 0.666 1.00 0.00 N ATOM 1957 CA LYS A 124 19.793 7.106 -0.379 1.00 0.00 C ATOM 1958 C LYS A 124 18.914 7.313 -1.609 1.00 0.00 C ATOM 1959 O LYS A 124 19.167 8.201 -2.423 1.00 0.00 O ATOM 1960 CB LYS A 124 21.057 6.335 -0.767 1.00 0.00 C ATOM 1961 CG LYS A 124 21.966 6.027 0.410 1.00 0.00 C ATOM 1962 CD LYS A 124 22.759 7.251 0.837 1.00 0.00 C ATOM 1963 CE LYS A 124 23.953 7.488 -0.075 1.00 0.00 C ATOM 1964 NZ LYS A 124 24.803 8.613 0.404 1.00 0.00 N ATOM 0 H LYS A 124 19.350 5.422 0.789 1.00 0.00 H new ATOM 0 HA LYS A 124 20.076 8.083 0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 124 20.769 5.400 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 124 21.614 6.914 -1.504 1.00 0.00 H new ATOM 0 HG2 LYS A 124 21.369 5.669 1.248 1.00 0.00 H new ATOM 0 HG3 LYS A 124 22.652 5.224 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 124 22.111 8.128 0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 124 23.103 7.123 1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 124 24.552 6.579 -0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 124 23.602 7.702 -1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 25.606 8.742 -0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 24.239 9.486 0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.159 8.398 1.357 1.00 0.00 H new ATOM 1978 N LYS A 125 17.880 6.489 -1.736 1.00 0.00 N ATOM 1979 CA LYS A 125 16.961 6.583 -2.864 1.00 0.00 C ATOM 1980 C LYS A 125 17.701 6.400 -4.186 1.00 0.00 C ATOM 1981 O LYS A 125 17.394 7.061 -5.178 1.00 0.00 O ATOM 1982 CB LYS A 125 16.242 7.933 -2.852 1.00 0.00 C ATOM 1983 CG LYS A 125 15.268 8.094 -1.698 1.00 0.00 C ATOM 1984 CD LYS A 125 14.137 7.083 -1.777 1.00 0.00 C ATOM 1985 CE LYS A 125 12.887 7.589 -1.075 1.00 0.00 C ATOM 1986 NZ LYS A 125 11.698 6.746 -1.381 1.00 0.00 N ATOM 0 H LYS A 125 17.657 5.748 -1.071 1.00 0.00 H new ATOM 0 HA LYS A 125 16.224 5.786 -2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 125 16.984 8.730 -2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 125 15.703 8.056 -3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 125 15.799 7.974 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.856 9.103 -1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.909 6.872 -2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.455 6.144 -1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.055 7.602 0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.691 8.617 -1.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 10.842 7.206 -1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 11.611 6.629 -2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 11.810 5.813 -0.935 1.00 0.00 H new ATOM 2000 N LYS A 126 18.678 5.499 -4.192 1.00 0.00 N ATOM 2001 CA LYS A 126 19.461 5.228 -5.392 1.00 0.00 C ATOM 2002 C LYS A 126 18.576 4.678 -6.506 1.00 0.00 C ATOM 2003 O LYS A 126 18.402 5.314 -7.545 1.00 0.00 O ATOM 2004 CB LYS A 126 20.582 4.234 -5.079 1.00 0.00 C ATOM 2005 CG LYS A 126 21.864 4.895 -4.603 1.00 0.00 C ATOM 2006 CD LYS A 126 22.922 3.865 -4.245 1.00 0.00 C ATOM 2007 CE LYS A 126 23.585 3.292 -5.488 1.00 0.00 C ATOM 2008 NZ LYS A 126 24.253 1.990 -5.211 1.00 0.00 N ATOM 0 H LYS A 126 18.946 4.944 -3.379 1.00 0.00 H new ATOM 0 HA LYS A 126 19.899 6.167 -5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.236 3.538 -4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 126 20.796 3.647 -5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.246 5.554 -5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 126 21.652 5.518 -3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.677 4.324 -3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.467 3.059 -3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 126 22.837 3.157 -6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 126 24.319 4.003 -5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 24.994 1.822 -5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 24.681 2.014 -4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 23.551 1.224 -5.255 1.00 0.00 H new ATOM 2022 N TYR A 127 18.018 3.493 -6.282 1.00 0.00 N ATOM 2023 CA TYR A 127 17.152 2.858 -7.267 1.00 0.00 C ATOM 2024 C TYR A 127 15.720 3.369 -7.145 1.00 0.00 C ATOM 2025 O TYR A 127 14.762 2.615 -7.319 1.00 0.00 O ATOM 2026 CB TYR A 127 17.178 1.338 -7.096 1.00 0.00 C ATOM 2027 CG TYR A 127 18.513 0.805 -6.626 1.00 0.00 C ATOM 2028 CD1 TYR A 127 18.836 0.779 -5.275 1.00 0.00 C ATOM 2029 CD2 TYR A 127 19.451 0.328 -7.533 1.00 0.00 C ATOM 2030 CE1 TYR A 127 20.054 0.294 -4.841 1.00 0.00 C ATOM 2031 CE2 TYR A 127 20.672 -0.160 -7.107 1.00 0.00 C ATOM 2032 CZ TYR A 127 20.968 -0.175 -5.760 1.00 0.00 C ATOM 2033 OH TYR A 127 22.183 -0.660 -5.333 1.00 0.00 O ATOM 0 H TYR A 127 18.150 2.953 -5.427 1.00 0.00 H new ATOM 0 HA TYR A 127 17.526 3.113 -8.259 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.408 1.048 -6.381 1.00 0.00 H new ATOM 0 HB3 TYR A 127 16.923 0.869 -8.047 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.122 1.144 -4.552 1.00 0.00 H new ATOM 0 HD2 TYR A 127 19.222 0.339 -8.588 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.289 0.282 -3.787 1.00 0.00 H new ATOM 0 HE2 TYR A 127 21.390 -0.528 -7.825 1.00 0.00 H new ATOM 0 HH TYR A 127 22.709 -0.952 -6.107 1.00 0.00 H new ATOM 2043 N TYR A 128 15.582 4.656 -6.844 1.00 0.00 N ATOM 2044 CA TYR A 128 14.268 5.270 -6.696 1.00 0.00 C ATOM 2045 C TYR A 128 13.869 6.017 -7.965 1.00 0.00 C ATOM 2046 O TYR A 128 14.535 6.968 -8.373 1.00 0.00 O ATOM 2047 CB TYR A 128 14.261 6.227 -5.503 1.00 0.00 C ATOM 2048 CG TYR A 128 12.884 6.740 -5.146 1.00 0.00 C ATOM 2049 CD1 TYR A 128 11.910 5.885 -4.646 1.00 0.00 C ATOM 2050 CD2 TYR A 128 12.557 8.081 -5.309 1.00 0.00 C ATOM 2051 CE1 TYR A 128 10.651 6.349 -4.319 1.00 0.00 C ATOM 2052 CE2 TYR A 128 11.300 8.554 -4.984 1.00 0.00 C ATOM 2053 CZ TYR A 128 10.351 7.684 -4.490 1.00 0.00 C ATOM 2054 OH TYR A 128 9.098 8.151 -4.165 1.00 0.00 O ATOM 0 H TYR A 128 16.364 5.294 -6.698 1.00 0.00 H new ATOM 0 HA TYR A 128 13.542 4.476 -6.521 1.00 0.00 H new ATOM 0 HB2 TYR A 128 14.686 5.718 -4.638 1.00 0.00 H new ATOM 0 HB3 TYR A 128 14.909 7.075 -5.724 1.00 0.00 H new ATOM 0 HD1 TYR A 128 12.141 4.839 -4.511 1.00 0.00 H new ATOM 0 HD2 TYR A 128 13.298 8.765 -5.696 1.00 0.00 H new ATOM 0 HE1 TYR A 128 9.906 5.670 -3.932 1.00 0.00 H new ATOM 0 HE2 TYR A 128 11.062 9.599 -5.116 1.00 0.00 H new ATOM 0 HH TYR A 128 9.051 9.113 -4.344 1.00 0.00 H new ATOM 2064 N ASP A 129 12.778 5.578 -8.583 1.00 0.00 N ATOM 2065 CA ASP A 129 12.288 6.205 -9.805 1.00 0.00 C ATOM 2066 C ASP A 129 11.136 7.158 -9.502 1.00 0.00 C ATOM 2067 O ASP A 129 10.015 6.728 -9.227 1.00 0.00 O ATOM 2068 CB ASP A 129 11.835 5.139 -10.804 1.00 0.00 C ATOM 2069 CG ASP A 129 11.734 5.677 -12.218 1.00 0.00 C ATOM 2070 OD1 ASP A 129 11.183 6.783 -12.394 1.00 0.00 O ATOM 2071 OD2 ASP A 129 12.206 4.991 -13.149 1.00 0.00 O ATOM 0 H ASP A 129 12.216 4.791 -8.258 1.00 0.00 H new ATOM 0 HA ASP A 129 13.105 6.779 -10.243 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.537 4.305 -10.785 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.865 4.746 -10.497 1.00 0.00 H new