USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=25 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 121 LYS NZ :NH3+ -125:sc= 1.87 (180deg=-1.07) USER MOD Set 1.2: A 122 TYR OH : rot 30:sc= 0.0795 USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 81 GLN : amide:sc= -3.22! C(o=-3.2!,f=-9.3!) USER MOD Set 3.1: A 44 SER OG : rot -47:sc= 1.16 USER MOD Set 3.2: A 46 ASN :FLIP amide:sc= -5.21! C(o=-5.8!,f=-5.2!) USER MOD Set 3.3: A 59 HIS : no HD1:sc= -1.48 K(o=-5.2,f=-5.9!) USER MOD Set 3.4: A 67 SER OG : rot -140:sc= 0.329 USER MOD Set 4.1: A 32 CYS SG : rot 151:sc= -0.355 USER MOD Set 4.2: A 35 CYS SG : rot -56:sc= -2.33! USER MOD Set 4.3: A 52 CYS SG : rot -126:sc= 1.36 USER MOD Set 4.4: A 55 CYS SG : rot 83:sc= -0.815 USER MOD Set 5.1: A 17 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.33) USER MOD Set 5.2: A 73 ASN : amide:sc= 0 X(o=-0.33,f=-0.75) USER MOD Single : A 16 HIS : no HE2:sc= -3.33! C(o=-3.3!,f=-3.6!) 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 29 ASN : amide:sc= -3.53! C(o=-3.5!,f=-11!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.6) USER MOD Single : A 65 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-2.1!) USER MOD Single : A 70 LYS NZ :NH3+ -125:sc= -1.42 (180deg=-2.68!) USER MOD Single : A 71 SER OG : rot 136:sc= -0.803 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 84 CYS SG : rot -68:sc= 0.0964! USER MOD Single : A 85 MET CE :methyl -141:sc= -5.1! (180deg=-6.05!) USER MOD Single : A 86 GLN : amide:sc= -12.4! C(o=-12!,f=-20!) USER MOD Single : A 88 MET CE :methyl -99:sc= -0.237 (180deg=-1.48!) USER MOD Single : A 90 ASN : amide:sc= -1.8 K(o=-1.8,f=-8.6!) USER MOD Single : A 91 THR OG1 : rot 170:sc= -0.0359 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 165:sc= 0 USER MOD Single : A 100 ASN :FLIP amide:sc= -0.0341 F(o=-1.4,f=-0.034) USER MOD Single : A 109 GLN :FLIP amide:sc= -0.469 F(o=-1,f=-0.47) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0.421 (180deg=0.421) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 16 -10.317 -1.652 7.401 1.00 0.00 N ATOM 203 CA HIS A 16 -8.868 -1.634 7.237 1.00 0.00 C ATOM 204 C HIS A 16 -8.274 -3.014 7.501 1.00 0.00 C ATOM 205 O HIS A 16 -7.706 -3.637 6.604 1.00 0.00 O ATOM 206 CB HIS A 16 -8.240 -0.606 8.179 1.00 0.00 C ATOM 207 CG HIS A 16 -8.903 0.736 8.128 1.00 0.00 C ATOM 208 ND1 HIS A 16 -9.174 1.484 9.254 1.00 0.00 N ATOM 209 CD2 HIS A 16 -9.347 1.465 7.078 1.00 0.00 C ATOM 210 CE1 HIS A 16 -9.759 2.614 8.899 1.00 0.00 C ATOM 211 NE2 HIS A 16 -9.875 2.628 7.583 1.00 0.00 N ATOM 0 HA HIS A 16 -8.647 -1.354 6.207 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.285 -0.986 9.200 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.186 -0.491 7.927 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -8.957 1.208 10.212 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -9.296 1.184 6.036 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.087 3.394 9.570 1.00 0.00 H new ATOM 219 N GLN A 17 -8.408 -3.484 8.737 1.00 0.00 N ATOM 220 CA GLN A 17 -7.883 -4.789 9.119 1.00 0.00 C ATOM 221 C GLN A 17 -8.028 -5.790 7.977 1.00 0.00 C ATOM 222 O GLN A 17 -7.037 -6.228 7.391 1.00 0.00 O ATOM 223 CB GLN A 17 -8.604 -5.309 10.363 1.00 0.00 C ATOM 224 CG GLN A 17 -8.393 -4.443 11.595 1.00 0.00 C ATOM 225 CD GLN A 17 -7.008 -3.829 11.646 1.00 0.00 C ATOM 226 OE1 GLN A 17 -6.842 -2.627 11.441 1.00 0.00 O ATOM 227 NE2 GLN A 17 -6.005 -4.654 11.922 1.00 0.00 N ATOM 0 H GLN A 17 -8.876 -2.980 9.491 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.823 -4.674 9.344 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.672 -5.374 10.153 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.259 -6.321 10.577 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.139 -3.649 11.608 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.553 -5.045 12.489 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.189 -5.644 12.085 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.050 -4.298 11.971 1.00 0.00 H new ATOM 236 N LEU A 18 -9.269 -6.148 7.665 1.00 0.00 N ATOM 237 CA LEU A 18 -9.545 -7.097 6.593 1.00 0.00 C ATOM 238 C LEU A 18 -8.787 -6.721 5.324 1.00 0.00 C ATOM 239 O LEU A 18 -7.971 -7.496 4.824 1.00 0.00 O ATOM 240 CB LEU A 18 -11.047 -7.151 6.307 1.00 0.00 C ATOM 241 CG LEU A 18 -11.545 -8.392 5.563 1.00 0.00 C ATOM 242 CD1 LEU A 18 -13.060 -8.492 5.648 1.00 0.00 C ATOM 243 CD2 LEU A 18 -11.090 -8.361 4.111 1.00 0.00 C ATOM 0 H LEU A 18 -10.100 -5.795 8.140 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.208 -8.082 6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.580 -7.082 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.318 -6.270 5.725 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.116 -9.275 6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.397 -9.380 5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.362 -8.561 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.509 -7.606 5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.453 -9.251 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.490 -7.472 3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.001 -8.338 4.071 1.00 0.00 H new ATOM 255 N ILE A 19 -9.062 -5.527 4.809 1.00 0.00 N ATOM 256 CA ILE A 19 -8.403 -5.048 3.600 1.00 0.00 C ATOM 257 C ILE A 19 -6.932 -5.449 3.580 1.00 0.00 C ATOM 258 O ILE A 19 -6.477 -6.135 2.663 1.00 0.00 O ATOM 259 CB ILE A 19 -8.508 -3.516 3.472 1.00 0.00 C ATOM 260 CG1 ILE A 19 -9.969 -3.095 3.306 1.00 0.00 C ATOM 261 CG2 ILE A 19 -7.673 -3.025 2.299 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.170 -1.596 3.307 1.00 0.00 C ATOM 0 H ILE A 19 -9.736 -4.874 5.210 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.915 -5.511 2.756 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.121 -3.062 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.353 -3.504 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.559 -3.533 4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.757 -1.941 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.629 -3.298 2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.033 -3.484 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.230 -1.371 3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.817 -1.182 4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.608 -1.153 2.485 1.00 0.00 H new ATOM 274 N LEU A 20 -6.193 -5.019 4.596 1.00 0.00 N ATOM 275 CA LEU A 20 -4.772 -5.334 4.696 1.00 0.00 C ATOM 276 C LEU A 20 -4.512 -6.793 4.335 1.00 0.00 C ATOM 277 O LEU A 20 -3.558 -7.106 3.622 1.00 0.00 O ATOM 278 CB LEU A 20 -4.265 -5.050 6.111 1.00 0.00 C ATOM 279 CG LEU A 20 -4.157 -3.575 6.501 1.00 0.00 C ATOM 280 CD1 LEU A 20 -4.199 -3.418 8.013 1.00 0.00 C ATOM 281 CD2 LEU A 20 -2.882 -2.966 5.935 1.00 0.00 C ATOM 0 H LEU A 20 -6.554 -4.451 5.363 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.234 -4.702 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.929 -5.545 6.820 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.282 -5.508 6.222 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.009 -3.044 6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.121 -2.362 8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.139 -3.816 8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.367 -3.963 8.459 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.822 -1.916 6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.018 -3.500 6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.893 -3.045 4.848 1.00 0.00 H new ATOM 293 N SER A 21 -5.367 -7.682 4.829 1.00 0.00 N ATOM 294 CA SER A 21 -5.229 -9.108 4.559 1.00 0.00 C ATOM 295 C SER A 21 -5.510 -9.413 3.091 1.00 0.00 C ATOM 296 O SER A 21 -4.846 -10.251 2.481 1.00 0.00 O ATOM 297 CB SER A 21 -6.179 -9.912 5.450 1.00 0.00 C ATOM 298 OG SER A 21 -6.309 -11.244 4.985 1.00 0.00 O ATOM 0 H SER A 21 -6.163 -7.440 5.419 1.00 0.00 H new ATOM 0 HA SER A 21 -4.202 -9.397 4.782 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.806 -9.916 6.474 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.158 -9.433 5.469 1.00 0.00 H new ATOM 0 HG SER A 21 -6.920 -11.737 5.572 1.00 0.00 H new ATOM 304 N LYS A 22 -6.500 -8.727 2.530 1.00 0.00 N ATOM 305 CA LYS A 22 -6.871 -8.922 1.133 1.00 0.00 C ATOM 306 C LYS A 22 -5.697 -8.610 0.211 1.00 0.00 C ATOM 307 O LYS A 22 -5.509 -9.266 -0.815 1.00 0.00 O ATOM 308 CB LYS A 22 -8.066 -8.036 0.773 1.00 0.00 C ATOM 309 CG LYS A 22 -9.410 -8.704 1.005 1.00 0.00 C ATOM 310 CD LYS A 22 -10.459 -8.199 0.029 1.00 0.00 C ATOM 311 CE LYS A 22 -11.786 -8.919 0.215 1.00 0.00 C ATOM 312 NZ LYS A 22 -12.937 -8.086 -0.232 1.00 0.00 N ATOM 0 H LYS A 22 -7.060 -8.031 3.022 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.148 -9.967 0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.019 -7.120 1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.990 -7.746 -0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.304 -9.784 0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.740 -8.514 2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.602 -7.128 0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.106 -8.342 -0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.774 -9.853 -0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.913 -9.180 1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.823 -8.612 -0.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.964 -7.206 0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.829 -7.858 -1.241 1.00 0.00 H new ATOM 326 N LEU A 23 -4.909 -7.607 0.582 1.00 0.00 N ATOM 327 CA LEU A 23 -3.751 -7.210 -0.212 1.00 0.00 C ATOM 328 C LEU A 23 -2.658 -8.271 -0.151 1.00 0.00 C ATOM 329 O LEU A 23 -2.040 -8.602 -1.164 1.00 0.00 O ATOM 330 CB LEU A 23 -3.205 -5.869 0.282 1.00 0.00 C ATOM 331 CG LEU A 23 -4.246 -4.791 0.586 1.00 0.00 C ATOM 332 CD1 LEU A 23 -3.631 -3.674 1.415 1.00 0.00 C ATOM 333 CD2 LEU A 23 -4.834 -4.239 -0.705 1.00 0.00 C ATOM 0 H LEU A 23 -5.050 -7.054 1.427 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.071 -7.105 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.622 -6.048 1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.518 -5.480 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.052 -5.243 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.387 -2.916 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.259 -4.081 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.806 -3.223 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.573 -3.473 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.039 -3.803 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.312 -5.045 -1.261 1.00 0.00 H new ATOM 345 N LEU A 24 -2.425 -8.804 1.044 1.00 0.00 N ATOM 346 CA LEU A 24 -1.407 -9.831 1.238 1.00 0.00 C ATOM 347 C LEU A 24 -1.690 -11.050 0.365 1.00 0.00 C ATOM 348 O LEU A 24 -0.787 -11.593 -0.272 1.00 0.00 O ATOM 349 CB LEU A 24 -1.347 -10.246 2.709 1.00 0.00 C ATOM 350 CG LEU A 24 -0.913 -9.161 3.695 1.00 0.00 C ATOM 351 CD1 LEU A 24 -1.163 -9.609 5.126 1.00 0.00 C ATOM 352 CD2 LEU A 24 0.555 -8.812 3.492 1.00 0.00 C ATOM 0 H LEU A 24 -2.927 -8.542 1.892 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.444 -9.413 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.333 -10.605 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.661 -11.088 2.801 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.508 -8.267 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.848 -8.824 5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.226 -9.808 5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.595 -10.517 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.847 -8.038 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.166 -9.700 3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.705 -8.447 2.476 1.00 0.00 H new ATOM 364 N ARG A 25 -2.949 -11.473 0.340 1.00 0.00 N ATOM 365 CA ARG A 25 -3.351 -12.627 -0.456 1.00 0.00 C ATOM 366 C ARG A 25 -2.834 -12.508 -1.886 1.00 0.00 C ATOM 367 O ARG A 25 -2.541 -13.512 -2.535 1.00 0.00 O ATOM 368 CB ARG A 25 -4.875 -12.763 -0.463 1.00 0.00 C ATOM 369 CG ARG A 25 -5.422 -13.551 0.715 1.00 0.00 C ATOM 370 CD ARG A 25 -6.935 -13.432 0.812 1.00 0.00 C ATOM 371 NE ARG A 25 -7.470 -14.161 1.958 1.00 0.00 N ATOM 372 CZ ARG A 25 -7.670 -15.474 1.966 1.00 0.00 C ATOM 373 NH1 ARG A 25 -7.381 -16.198 0.893 1.00 0.00 N ATOM 374 NH2 ARG A 25 -8.160 -16.066 3.047 1.00 0.00 N ATOM 0 H ARG A 25 -3.708 -11.035 0.861 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.916 -13.518 -0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.320 -11.768 -0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.184 -13.249 -1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.145 -14.600 0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.968 -13.190 1.638 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.211 -12.381 0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.388 -13.813 -0.103 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.703 -13.633 2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.004 -15.747 0.059 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.535 -17.206 0.901 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.384 -15.513 3.874 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.313 -17.074 3.051 1.00 0.00 H new ATOM 388 N GLU A 26 -2.725 -11.275 -2.370 1.00 0.00 N ATOM 389 CA GLU A 26 -2.244 -11.026 -3.724 1.00 0.00 C ATOM 390 C GLU A 26 -0.773 -11.411 -3.859 1.00 0.00 C ATOM 391 O GLU A 26 0.042 -11.099 -2.991 1.00 0.00 O ATOM 392 CB GLU A 26 -2.433 -9.554 -4.094 1.00 0.00 C ATOM 393 CG GLU A 26 -3.889 -9.124 -4.155 1.00 0.00 C ATOM 394 CD GLU A 26 -4.586 -9.600 -5.415 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.322 -9.026 -6.493 1.00 0.00 O ATOM 396 OE2 GLU A 26 -5.394 -10.548 -5.323 1.00 0.00 O ATOM 0 H GLU A 26 -2.963 -10.433 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.827 -11.643 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.910 -8.935 -3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.967 -9.369 -5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.416 -9.513 -3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.945 -8.037 -4.102 1.00 0.00 H new ATOM 403 N GLU A 27 -0.443 -12.090 -4.952 1.00 0.00 N ATOM 404 CA GLU A 27 0.929 -12.519 -5.199 1.00 0.00 C ATOM 405 C GLU A 27 1.897 -11.347 -5.065 1.00 0.00 C ATOM 406 O GLU A 27 3.042 -11.519 -4.646 1.00 0.00 O ATOM 407 CB GLU A 27 1.050 -13.138 -6.593 1.00 0.00 C ATOM 408 CG GLU A 27 2.349 -13.896 -6.812 1.00 0.00 C ATOM 409 CD GLU A 27 2.222 -14.979 -7.866 1.00 0.00 C ATOM 410 OE1 GLU A 27 1.658 -16.048 -7.554 1.00 0.00 O ATOM 411 OE2 GLU A 27 2.686 -14.756 -9.003 1.00 0.00 O ATOM 0 H GLU A 27 -1.106 -12.355 -5.681 1.00 0.00 H new ATOM 0 HA GLU A 27 1.188 -13.270 -4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.212 -13.816 -6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.969 -12.348 -7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.129 -13.195 -7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.666 -14.345 -5.871 1.00 0.00 H new ATOM 418 N ASP A 28 1.429 -10.157 -5.424 1.00 0.00 N ATOM 419 CA ASP A 28 2.253 -8.956 -5.344 1.00 0.00 C ATOM 420 C ASP A 28 2.700 -8.698 -3.909 1.00 0.00 C ATOM 421 O ASP A 28 3.797 -8.196 -3.671 1.00 0.00 O ATOM 422 CB ASP A 28 1.482 -7.746 -5.876 1.00 0.00 C ATOM 423 CG ASP A 28 -0.008 -7.848 -5.613 1.00 0.00 C ATOM 424 OD1 ASP A 28 -0.410 -7.751 -4.435 1.00 0.00 O ATOM 425 OD2 ASP A 28 -0.772 -8.026 -6.585 1.00 0.00 O ATOM 0 H ASP A 28 0.484 -9.998 -5.773 1.00 0.00 H new ATOM 0 HA ASP A 28 3.139 -9.112 -5.959 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.869 -6.839 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.653 -7.652 -6.948 1.00 0.00 H new ATOM 430 N ASN A 29 1.841 -9.045 -2.955 1.00 0.00 N ATOM 431 CA ASN A 29 2.147 -8.850 -1.543 1.00 0.00 C ATOM 432 C ASN A 29 2.208 -10.187 -0.810 1.00 0.00 C ATOM 433 O ASN A 29 1.965 -10.259 0.395 1.00 0.00 O ATOM 434 CB ASN A 29 1.097 -7.947 -0.892 1.00 0.00 C ATOM 435 CG ASN A 29 0.873 -6.666 -1.672 1.00 0.00 C ATOM 436 OD1 ASN A 29 1.491 -6.444 -2.714 1.00 0.00 O ATOM 437 ND2 ASN A 29 -0.014 -5.815 -1.170 1.00 0.00 N ATOM 0 H ASN A 29 0.928 -9.463 -3.135 1.00 0.00 H new ATOM 0 HA ASN A 29 3.124 -8.371 -1.471 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.155 -8.489 -0.811 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.411 -7.701 0.122 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.206 -4.936 -1.651 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.503 -6.040 -0.304 1.00 0.00 H new ATOM 444 N LYS A 30 2.537 -11.244 -1.545 1.00 0.00 N ATOM 445 CA LYS A 30 2.633 -12.579 -0.966 1.00 0.00 C ATOM 446 C LYS A 30 3.989 -12.786 -0.300 1.00 0.00 C ATOM 447 O LYS A 30 4.158 -13.694 0.515 1.00 0.00 O ATOM 448 CB LYS A 30 2.415 -13.642 -2.046 1.00 0.00 C ATOM 449 CG LYS A 30 0.963 -14.060 -2.203 1.00 0.00 C ATOM 450 CD LYS A 30 0.450 -14.770 -0.962 1.00 0.00 C ATOM 451 CE LYS A 30 -0.622 -15.792 -1.309 1.00 0.00 C ATOM 452 NZ LYS A 30 -0.033 -17.086 -1.754 1.00 0.00 N ATOM 0 H LYS A 30 2.742 -11.202 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 30 1.857 -12.676 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.779 -13.259 -2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.013 -14.521 -1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.350 -13.181 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.864 -14.718 -3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.278 -15.267 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.044 -14.038 -0.264 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.256 -15.962 -0.439 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.261 -15.394 -2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.796 -17.755 -1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.552 -16.929 -2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.557 -17.479 -0.993 1.00 0.00 H new ATOM 466 N TYR A 31 4.951 -11.940 -0.650 1.00 0.00 N ATOM 467 CA TYR A 31 6.292 -12.032 -0.086 1.00 0.00 C ATOM 468 C TYR A 31 6.870 -10.644 0.174 1.00 0.00 C ATOM 469 O TYR A 31 6.363 -9.642 -0.332 1.00 0.00 O ATOM 470 CB TYR A 31 7.212 -12.811 -1.028 1.00 0.00 C ATOM 471 CG TYR A 31 6.537 -13.987 -1.697 1.00 0.00 C ATOM 472 CD1 TYR A 31 5.856 -13.833 -2.897 1.00 0.00 C ATOM 473 CD2 TYR A 31 6.583 -15.254 -1.128 1.00 0.00 C ATOM 474 CE1 TYR A 31 5.238 -14.905 -3.511 1.00 0.00 C ATOM 475 CE2 TYR A 31 5.969 -16.332 -1.735 1.00 0.00 C ATOM 476 CZ TYR A 31 5.297 -16.152 -2.927 1.00 0.00 C ATOM 477 OH TYR A 31 4.684 -17.223 -3.536 1.00 0.00 O ATOM 0 H TYR A 31 4.827 -11.183 -1.322 1.00 0.00 H new ATOM 0 HA TYR A 31 6.223 -12.561 0.864 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.590 -12.135 -1.795 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.075 -13.169 -0.466 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.809 -12.858 -3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.108 -15.398 -0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.711 -14.767 -4.444 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.014 -17.310 -1.280 1.00 0.00 H new ATOM 0 HH TYR A 31 4.821 -18.029 -2.996 1.00 0.00 H new ATOM 487 N CYS A 32 7.935 -10.593 0.967 1.00 0.00 N ATOM 488 CA CYS A 32 8.584 -9.329 1.295 1.00 0.00 C ATOM 489 C CYS A 32 8.898 -8.534 0.032 1.00 0.00 C ATOM 490 O CYS A 32 9.027 -9.099 -1.054 1.00 0.00 O ATOM 491 CB CYS A 32 9.870 -9.583 2.085 1.00 0.00 C ATOM 492 SG CYS A 32 10.565 -8.094 2.872 1.00 0.00 S ATOM 0 H CYS A 32 8.367 -11.412 1.394 1.00 0.00 H new ATOM 0 HA CYS A 32 7.898 -8.745 1.908 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.670 -10.328 2.855 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.617 -10.009 1.415 1.00 0.00 H new ATOM 0 HG CYS A 32 11.212 -8.433 3.948 1.00 0.00 H new ATOM 497 N ALA A 33 9.021 -7.219 0.182 1.00 0.00 N ATOM 498 CA ALA A 33 9.322 -6.346 -0.946 1.00 0.00 C ATOM 499 C ALA A 33 10.827 -6.212 -1.150 1.00 0.00 C ATOM 500 O ALA A 33 11.283 -5.434 -1.988 1.00 0.00 O ATOM 501 CB ALA A 33 8.692 -4.977 -0.737 1.00 0.00 C ATOM 0 H ALA A 33 8.917 -6.735 1.074 1.00 0.00 H new ATOM 0 HA ALA A 33 8.898 -6.795 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.925 -4.336 -1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.611 -5.084 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.088 -4.529 0.175 1.00 0.00 H new ATOM 507 N ASP A 34 11.594 -6.975 -0.378 1.00 0.00 N ATOM 508 CA ASP A 34 13.049 -6.941 -0.474 1.00 0.00 C ATOM 509 C ASP A 34 13.624 -8.354 -0.509 1.00 0.00 C ATOM 510 O ASP A 34 14.283 -8.744 -1.473 1.00 0.00 O ATOM 511 CB ASP A 34 13.641 -6.165 0.703 1.00 0.00 C ATOM 512 CG ASP A 34 12.838 -4.924 1.041 1.00 0.00 C ATOM 513 OD1 ASP A 34 12.860 -3.966 0.240 1.00 0.00 O ATOM 514 OD2 ASP A 34 12.187 -4.912 2.106 1.00 0.00 O ATOM 0 H ASP A 34 11.232 -7.624 0.321 1.00 0.00 H new ATOM 0 HA ASP A 34 13.316 -6.436 -1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.685 -6.815 1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.666 -5.878 0.467 1.00 0.00 H new ATOM 519 N CYS A 35 13.371 -9.116 0.550 1.00 0.00 N ATOM 520 CA CYS A 35 13.864 -10.485 0.642 1.00 0.00 C ATOM 521 C CYS A 35 12.812 -11.476 0.152 1.00 0.00 C ATOM 522 O CYS A 35 12.989 -12.689 0.262 1.00 0.00 O ATOM 523 CB CYS A 35 14.256 -10.812 2.084 1.00 0.00 C ATOM 524 SG CYS A 35 12.840 -11.002 3.215 1.00 0.00 S ATOM 0 H CYS A 35 12.827 -8.808 1.356 1.00 0.00 H new ATOM 0 HA CYS A 35 14.744 -10.572 0.005 1.00 0.00 H new ATOM 0 HB2 CYS A 35 14.839 -11.733 2.091 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.905 -10.021 2.461 1.00 0.00 H new ATOM 0 HG CYS A 35 12.114 -9.924 3.186 1.00 0.00 H new ATOM 529 N GLU A 36 11.717 -10.950 -0.389 1.00 0.00 N ATOM 530 CA GLU A 36 10.637 -11.789 -0.895 1.00 0.00 C ATOM 531 C GLU A 36 10.389 -12.975 0.034 1.00 0.00 C ATOM 532 O GLU A 36 10.069 -14.074 -0.418 1.00 0.00 O ATOM 533 CB GLU A 36 10.967 -12.290 -2.302 1.00 0.00 C ATOM 534 CG GLU A 36 11.145 -11.175 -3.319 1.00 0.00 C ATOM 535 CD GLU A 36 9.832 -10.735 -3.937 1.00 0.00 C ATOM 536 OE1 GLU A 36 8.845 -10.583 -3.187 1.00 0.00 O ATOM 537 OE2 GLU A 36 9.791 -10.542 -5.170 1.00 0.00 O ATOM 0 H GLU A 36 11.555 -9.948 -0.488 1.00 0.00 H new ATOM 0 HA GLU A 36 9.731 -11.185 -0.936 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.880 -12.883 -2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.170 -12.953 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.620 -10.321 -2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.819 -11.511 -4.107 1.00 0.00 H new ATOM 544 N ALA A 37 10.539 -12.742 1.334 1.00 0.00 N ATOM 545 CA ALA A 37 10.329 -13.789 2.326 1.00 0.00 C ATOM 546 C ALA A 37 8.902 -14.324 2.267 1.00 0.00 C ATOM 547 O ALA A 37 7.971 -13.600 1.914 1.00 0.00 O ATOM 548 CB ALA A 37 10.642 -13.266 3.720 1.00 0.00 C ATOM 0 H ALA A 37 10.805 -11.838 1.724 1.00 0.00 H new ATOM 0 HA ALA A 37 11.007 -14.612 2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.481 -14.059 4.451 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.681 -12.940 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.988 -12.424 3.948 1.00 0.00 H new ATOM 554 N LYS A 38 8.737 -15.596 2.615 1.00 0.00 N ATOM 555 CA LYS A 38 7.424 -16.228 2.603 1.00 0.00 C ATOM 556 C LYS A 38 6.648 -15.896 3.874 1.00 0.00 C ATOM 557 O LYS A 38 6.960 -16.399 4.952 1.00 0.00 O ATOM 558 CB LYS A 38 7.567 -17.745 2.462 1.00 0.00 C ATOM 559 CG LYS A 38 6.413 -18.399 1.721 1.00 0.00 C ATOM 560 CD LYS A 38 6.656 -19.883 1.507 1.00 0.00 C ATOM 561 CE LYS A 38 5.349 -20.656 1.422 1.00 0.00 C ATOM 562 NZ LYS A 38 5.538 -21.999 0.807 1.00 0.00 N ATOM 0 H LYS A 38 9.497 -16.209 2.909 1.00 0.00 H new ATOM 0 HA LYS A 38 6.870 -15.840 1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.497 -17.967 1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.648 -18.188 3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.491 -18.258 2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.275 -17.910 0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.227 -20.031 0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.259 -20.276 2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.929 -20.770 2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.628 -20.086 0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.624 -22.494 0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.915 -21.890 -0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.207 -22.552 1.380 1.00 0.00 H new ATOM 576 N GLY A 39 5.635 -15.046 3.739 1.00 0.00 N ATOM 577 CA GLY A 39 4.830 -14.663 4.884 1.00 0.00 C ATOM 578 C GLY A 39 5.149 -13.266 5.376 1.00 0.00 C ATOM 579 O GLY A 39 5.610 -13.071 6.501 1.00 0.00 O ATOM 0 H GLY A 39 5.357 -14.616 2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.775 -14.719 4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.992 -15.375 5.693 1.00 0.00 H new ATOM 583 N PRO A 40 4.905 -12.262 4.520 1.00 0.00 N ATOM 584 CA PRO A 40 5.164 -10.858 4.851 1.00 0.00 C ATOM 585 C PRO A 40 4.200 -10.324 5.905 1.00 0.00 C ATOM 586 O PRO A 40 3.204 -9.677 5.578 1.00 0.00 O ATOM 587 CB PRO A 40 4.954 -10.135 3.519 1.00 0.00 C ATOM 588 CG PRO A 40 4.026 -11.013 2.753 1.00 0.00 C ATOM 589 CD PRO A 40 4.357 -12.422 3.162 1.00 0.00 C ATOM 0 HA PRO A 40 6.157 -10.716 5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.527 -9.144 3.670 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.897 -9.999 2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.987 -10.775 2.980 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.157 -10.877 1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.473 -13.060 3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.082 -12.877 2.487 1.00 0.00 H new ATOM 597 N ARG A 41 4.502 -10.598 7.170 1.00 0.00 N ATOM 598 CA ARG A 41 3.661 -10.146 8.271 1.00 0.00 C ATOM 599 C ARG A 41 3.700 -8.625 8.396 1.00 0.00 C ATOM 600 O ARG A 41 2.721 -7.943 8.095 1.00 0.00 O ATOM 601 CB ARG A 41 4.114 -10.788 9.584 1.00 0.00 C ATOM 602 CG ARG A 41 2.989 -10.977 10.589 1.00 0.00 C ATOM 603 CD ARG A 41 2.452 -9.642 11.082 1.00 0.00 C ATOM 604 NE ARG A 41 1.802 -9.761 12.384 1.00 0.00 N ATOM 605 CZ ARG A 41 0.562 -10.209 12.549 1.00 0.00 C ATOM 606 NH1 ARG A 41 -0.157 -10.579 11.498 1.00 0.00 N ATOM 607 NH2 ARG A 41 0.040 -10.288 13.766 1.00 0.00 N ATOM 0 H ARG A 41 5.323 -11.131 7.457 1.00 0.00 H new ATOM 0 HA ARG A 41 2.636 -10.450 8.061 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.564 -11.757 9.369 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.891 -10.169 10.033 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.182 -11.548 10.130 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.350 -11.560 11.436 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.270 -8.925 11.149 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.741 -9.247 10.356 1.00 0.00 H new ATOM 0 HE ARG A 41 2.329 -9.485 13.213 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.242 -10.520 10.561 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.109 -10.923 11.627 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.591 -10.005 14.576 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.912 -10.632 13.891 1.00 0.00 H new ATOM 621 N TRP A 42 4.836 -8.103 8.842 1.00 0.00 N ATOM 622 CA TRP A 42 5.003 -6.663 9.007 1.00 0.00 C ATOM 623 C TRP A 42 4.749 -5.932 7.693 1.00 0.00 C ATOM 624 O TRP A 42 4.648 -6.553 6.636 1.00 0.00 O ATOM 625 CB TRP A 42 6.409 -6.347 9.518 1.00 0.00 C ATOM 626 CG TRP A 42 6.645 -6.800 10.927 1.00 0.00 C ATOM 627 CD1 TRP A 42 6.810 -8.085 11.358 1.00 0.00 C ATOM 628 CD2 TRP A 42 6.742 -5.969 12.089 1.00 0.00 C ATOM 629 NE1 TRP A 42 7.002 -8.104 12.718 1.00 0.00 N ATOM 630 CE2 TRP A 42 6.966 -6.818 13.190 1.00 0.00 C ATOM 631 CE3 TRP A 42 6.663 -4.591 12.306 1.00 0.00 C ATOM 632 CZ2 TRP A 42 7.110 -6.333 14.487 1.00 0.00 C ATOM 633 CZ3 TRP A 42 6.805 -4.111 13.594 1.00 0.00 C ATOM 634 CH2 TRP A 42 7.028 -4.979 14.671 1.00 0.00 C ATOM 0 H TRP A 42 5.656 -8.655 9.096 1.00 0.00 H new ATOM 0 HA TRP A 42 4.273 -6.319 9.739 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.141 -6.822 8.864 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.577 -5.272 9.457 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.792 -8.958 10.723 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.148 -8.940 13.285 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.494 -3.913 11.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.280 -7.001 15.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.743 -3.048 13.774 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.137 -4.572 15.665 1.00 0.00 H new ATOM 645 N ALA A 43 4.647 -4.609 7.768 1.00 0.00 N ATOM 646 CA ALA A 43 4.407 -3.793 6.584 1.00 0.00 C ATOM 647 C ALA A 43 4.694 -2.322 6.863 1.00 0.00 C ATOM 648 O ALA A 43 4.316 -1.794 7.909 1.00 0.00 O ATOM 649 CB ALA A 43 2.975 -3.971 6.102 1.00 0.00 C ATOM 0 H ALA A 43 4.727 -4.080 8.636 1.00 0.00 H new ATOM 0 HA ALA A 43 5.087 -4.126 5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.810 -3.356 5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.802 -5.018 5.853 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.286 -3.667 6.889 1.00 0.00 H new ATOM 655 N SER A 44 5.365 -1.666 5.923 1.00 0.00 N ATOM 656 CA SER A 44 5.707 -0.256 6.070 1.00 0.00 C ATOM 657 C SER A 44 4.717 0.625 5.313 1.00 0.00 C ATOM 658 O SER A 44 4.752 0.703 4.085 1.00 0.00 O ATOM 659 CB SER A 44 7.127 0.002 5.564 1.00 0.00 C ATOM 660 OG SER A 44 7.751 1.039 6.301 1.00 0.00 O ATOM 0 H SER A 44 5.683 -2.088 5.051 1.00 0.00 H new ATOM 0 HA SER A 44 5.655 -0.004 7.129 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.717 -0.911 5.645 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.097 0.270 4.508 1.00 0.00 H new ATOM 0 HG SER A 44 7.135 1.797 6.385 1.00 0.00 H new ATOM 666 N TRP A 45 3.836 1.286 6.055 1.00 0.00 N ATOM 667 CA TRP A 45 2.836 2.162 5.455 1.00 0.00 C ATOM 668 C TRP A 45 3.492 3.384 4.823 1.00 0.00 C ATOM 669 O TRP A 45 3.276 3.678 3.648 1.00 0.00 O ATOM 670 CB TRP A 45 1.817 2.602 6.507 1.00 0.00 C ATOM 671 CG TRP A 45 2.407 3.461 7.584 1.00 0.00 C ATOM 672 CD1 TRP A 45 3.120 3.040 8.670 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.333 4.888 7.678 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.494 4.120 9.434 1.00 0.00 N ATOM 675 CE2 TRP A 45 3.025 5.265 8.847 1.00 0.00 C ATOM 676 CE3 TRP A 45 1.753 5.884 6.889 1.00 0.00 C ATOM 677 CZ2 TRP A 45 3.148 6.594 9.242 1.00 0.00 C ATOM 678 CZ3 TRP A 45 1.876 7.203 7.283 1.00 0.00 C ATOM 679 CH2 TRP A 45 2.570 7.548 8.451 1.00 0.00 C ATOM 0 H TRP A 45 3.794 1.232 7.073 1.00 0.00 H new ATOM 0 HA TRP A 45 2.322 1.603 4.673 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.012 3.149 6.016 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.370 1.718 6.962 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.355 2.010 8.895 1.00 0.00 H new ATOM 0 HE1 TRP A 45 4.034 4.076 10.298 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.218 5.628 5.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.681 6.862 10.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.430 7.981 6.681 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.650 8.588 8.732 1.00 0.00 H new ATOM 690 N ASN A 46 4.295 4.094 5.610 1.00 0.00 N ATOM 691 CA ASN A 46 4.982 5.285 5.126 1.00 0.00 C ATOM 692 C ASN A 46 5.360 5.136 3.655 1.00 0.00 C ATOM 693 O ASN A 46 5.235 6.078 2.873 1.00 0.00 O ATOM 694 CB ASN A 46 6.236 5.551 5.962 1.00 0.00 C ATOM 695 CG ASN A 46 7.124 4.327 6.077 1.00 0.00 C ATOM 696 OD1 ASN A 46 6.755 3.410 6.962 1.00 0.00 O flip ATOM 697 ND2 ASN A 46 8.130 4.209 5.377 1.00 0.00 N flip ATOM 0 H ASN A 46 4.485 3.865 6.585 1.00 0.00 H new ATOM 0 HA ASN A 46 4.302 6.131 5.224 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.803 6.367 5.513 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.942 5.878 6.959 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.375 4.940 4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.718 3.380 5.465 1.00 0.00 H new ATOM 704 N ILE A 47 5.821 3.945 3.287 1.00 0.00 N ATOM 705 CA ILE A 47 6.215 3.672 1.910 1.00 0.00 C ATOM 706 C ILE A 47 5.076 3.024 1.131 1.00 0.00 C ATOM 707 O ILE A 47 4.785 3.411 0.000 1.00 0.00 O ATOM 708 CB ILE A 47 7.450 2.754 1.850 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.672 3.468 2.431 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.717 2.318 0.417 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.682 2.529 3.053 1.00 0.00 C ATOM 0 H ILE A 47 5.931 3.155 3.922 1.00 0.00 H new ATOM 0 HA ILE A 47 6.463 4.632 1.456 1.00 0.00 H new ATOM 0 HB ILE A 47 7.253 1.865 2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.158 4.040 1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.341 4.183 3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.593 1.670 0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.852 1.775 0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.897 3.196 -0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.521 3.104 3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.212 1.975 3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.042 1.830 2.298 1.00 0.00 H new ATOM 723 N GLY A 48 4.432 2.035 1.745 1.00 0.00 N ATOM 724 CA GLY A 48 3.331 1.350 1.095 1.00 0.00 C ATOM 725 C GLY A 48 3.734 -0.002 0.542 1.00 0.00 C ATOM 726 O GLY A 48 3.334 -0.374 -0.561 1.00 0.00 O ATOM 0 H GLY A 48 4.654 1.697 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.517 1.219 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.949 1.971 0.285 1.00 0.00 H new ATOM 730 N VAL A 49 4.531 -0.739 1.309 1.00 0.00 N ATOM 731 CA VAL A 49 4.990 -2.058 0.889 1.00 0.00 C ATOM 732 C VAL A 49 5.010 -3.032 2.062 1.00 0.00 C ATOM 733 O VAL A 49 5.275 -2.645 3.200 1.00 0.00 O ATOM 734 CB VAL A 49 6.398 -1.991 0.268 1.00 0.00 C ATOM 735 CG1 VAL A 49 6.407 -1.063 -0.937 1.00 0.00 C ATOM 736 CG2 VAL A 49 7.416 -1.542 1.305 1.00 0.00 C ATOM 0 H VAL A 49 4.872 -0.445 2.224 1.00 0.00 H new ATOM 0 HA VAL A 49 4.286 -2.413 0.137 1.00 0.00 H new ATOM 0 HB VAL A 49 6.675 -2.989 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.410 -1.029 -1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.708 -1.433 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.110 -0.061 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.405 -1.500 0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.145 -0.554 1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.428 -2.250 2.134 1.00 0.00 H new ATOM 746 N PHE A 50 4.728 -4.299 1.776 1.00 0.00 N ATOM 747 CA PHE A 50 4.713 -5.330 2.807 1.00 0.00 C ATOM 748 C PHE A 50 6.087 -5.979 2.948 1.00 0.00 C ATOM 749 O PHE A 50 6.642 -6.497 1.978 1.00 0.00 O ATOM 750 CB PHE A 50 3.664 -6.395 2.479 1.00 0.00 C ATOM 751 CG PHE A 50 2.252 -5.892 2.568 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.554 -5.958 3.764 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.621 -5.356 1.457 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.254 -5.496 3.850 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.322 -4.892 1.538 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.363 -4.964 2.735 1.00 0.00 C ATOM 0 H PHE A 50 4.507 -4.636 0.839 1.00 0.00 H new ATOM 0 HA PHE A 50 4.456 -4.857 3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.844 -6.773 1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.786 -7.236 3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.031 -6.375 4.638 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.150 -5.300 0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.278 -5.551 4.788 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.157 -4.473 0.666 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.380 -4.605 2.799 1.00 0.00 H new ATOM 766 N ILE A 51 6.628 -5.947 4.161 1.00 0.00 N ATOM 767 CA ILE A 51 7.936 -6.532 4.428 1.00 0.00 C ATOM 768 C ILE A 51 7.879 -7.484 5.618 1.00 0.00 C ATOM 769 O ILE A 51 6.901 -7.504 6.365 1.00 0.00 O ATOM 770 CB ILE A 51 8.993 -5.447 4.704 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.565 -4.576 5.887 1.00 0.00 C ATOM 772 CG2 ILE A 51 9.212 -4.594 3.463 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.681 -3.717 6.440 1.00 0.00 C ATOM 0 H ILE A 51 6.181 -5.523 4.974 1.00 0.00 H new ATOM 0 HA ILE A 51 8.222 -7.087 3.534 1.00 0.00 H new ATOM 0 HB ILE A 51 9.935 -5.934 4.958 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.743 -3.932 5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.184 -5.218 6.681 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.962 -3.831 3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.556 -5.225 2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.275 -4.114 3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.306 -3.127 7.276 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.495 -4.355 6.783 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.047 -3.050 5.660 1.00 0.00 H new ATOM 785 N CYS A 52 8.936 -8.272 5.790 1.00 0.00 N ATOM 786 CA CYS A 52 9.008 -9.226 6.890 1.00 0.00 C ATOM 787 C CYS A 52 9.519 -8.553 8.161 1.00 0.00 C ATOM 788 O CYS A 52 9.791 -7.352 8.173 1.00 0.00 O ATOM 789 CB CYS A 52 9.919 -10.397 6.518 1.00 0.00 C ATOM 790 SG CYS A 52 11.664 -9.932 6.271 1.00 0.00 S ATOM 0 H CYS A 52 9.754 -8.268 5.181 1.00 0.00 H new ATOM 0 HA CYS A 52 8.003 -9.602 7.078 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.863 -11.151 7.303 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.544 -10.859 5.605 1.00 0.00 H new ATOM 0 HG CYS A 52 12.060 -10.337 5.101 1.00 0.00 H new ATOM 795 N ILE A 53 9.648 -9.335 9.227 1.00 0.00 N ATOM 796 CA ILE A 53 10.128 -8.816 10.502 1.00 0.00 C ATOM 797 C ILE A 53 11.615 -8.485 10.436 1.00 0.00 C ATOM 798 O ILE A 53 12.073 -7.516 11.042 1.00 0.00 O ATOM 799 CB ILE A 53 9.886 -9.819 11.645 1.00 0.00 C ATOM 800 CG1 ILE A 53 10.490 -9.294 12.949 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.475 -11.177 11.291 1.00 0.00 C ATOM 802 CD1 ILE A 53 9.760 -8.097 13.514 1.00 0.00 C ATOM 0 H ILE A 53 9.427 -10.331 9.233 1.00 0.00 H new ATOM 0 HA ILE A 53 9.565 -7.905 10.704 1.00 0.00 H new ATOM 0 HB ILE A 53 8.811 -9.936 11.785 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.487 -10.094 13.689 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.532 -9.025 12.775 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.296 -11.875 12.108 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.003 -11.553 10.383 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.548 -11.077 11.128 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.243 -7.779 14.438 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.785 -7.281 12.792 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.724 -8.367 13.720 1.00 0.00 H new ATOM 814 N ARG A 54 12.363 -9.296 9.695 1.00 0.00 N ATOM 815 CA ARG A 54 13.799 -9.089 9.549 1.00 0.00 C ATOM 816 C ARG A 54 14.093 -7.713 8.959 1.00 0.00 C ATOM 817 O ARG A 54 14.727 -6.873 9.599 1.00 0.00 O ATOM 818 CB ARG A 54 14.405 -10.177 8.660 1.00 0.00 C ATOM 819 CG ARG A 54 15.925 -10.189 8.662 1.00 0.00 C ATOM 820 CD ARG A 54 16.491 -9.306 7.561 1.00 0.00 C ATOM 821 NE ARG A 54 16.184 -9.827 6.231 1.00 0.00 N ATOM 822 CZ ARG A 54 16.927 -10.735 5.608 1.00 0.00 C ATOM 823 NH1 ARG A 54 18.014 -11.221 6.192 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.583 -11.159 4.399 1.00 0.00 N ATOM 0 H ARG A 54 11.999 -10.102 9.187 1.00 0.00 H new ATOM 0 HA ARG A 54 14.251 -9.145 10.539 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.042 -11.150 8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.053 -10.037 7.638 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.291 -9.846 9.630 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.282 -11.210 8.530 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.085 -8.299 7.659 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.572 -9.227 7.679 1.00 0.00 H new ATOM 0 HE ARG A 54 15.354 -9.474 5.755 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.281 -10.898 7.122 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.583 -11.918 5.711 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.747 -10.788 3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.154 -11.856 3.921 1.00 0.00 H new ATOM 838 N CYS A 55 13.628 -7.488 7.734 1.00 0.00 N ATOM 839 CA CYS A 55 13.841 -6.215 7.056 1.00 0.00 C ATOM 840 C CYS A 55 13.310 -5.056 7.896 1.00 0.00 C ATOM 841 O CYS A 55 13.969 -4.028 8.039 1.00 0.00 O ATOM 842 CB CYS A 55 13.159 -6.222 5.687 1.00 0.00 C ATOM 843 SG CYS A 55 13.902 -7.379 4.492 1.00 0.00 S ATOM 0 H CYS A 55 13.101 -8.172 7.191 1.00 0.00 H new ATOM 0 HA CYS A 55 14.914 -6.080 6.919 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.107 -6.477 5.818 1.00 0.00 H new ATOM 0 HB3 CYS A 55 13.193 -5.215 5.271 1.00 0.00 H new ATOM 0 HG CYS A 55 13.420 -8.571 4.685 1.00 0.00 H new ATOM 848 N ALA A 56 12.114 -5.232 8.447 1.00 0.00 N ATOM 849 CA ALA A 56 11.495 -4.203 9.274 1.00 0.00 C ATOM 850 C ALA A 56 12.496 -3.619 10.264 1.00 0.00 C ATOM 851 O ALA A 56 12.674 -2.404 10.338 1.00 0.00 O ATOM 852 CB ALA A 56 10.291 -4.772 10.011 1.00 0.00 C ATOM 0 H ALA A 56 11.554 -6.077 8.336 1.00 0.00 H new ATOM 0 HA ALA A 56 11.160 -3.398 8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.839 -3.993 10.625 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.560 -5.135 9.288 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.611 -5.596 10.649 1.00 0.00 H new ATOM 858 N GLY A 57 13.149 -4.493 11.024 1.00 0.00 N ATOM 859 CA GLY A 57 14.124 -4.043 12.001 1.00 0.00 C ATOM 860 C GLY A 57 15.063 -2.993 11.441 1.00 0.00 C ATOM 861 O GLY A 57 15.411 -2.032 12.129 1.00 0.00 O ATOM 0 H GLY A 57 13.021 -5.504 10.981 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.604 -3.636 12.868 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.705 -4.897 12.350 1.00 0.00 H new ATOM 865 N ILE A 58 15.477 -3.177 10.192 1.00 0.00 N ATOM 866 CA ILE A 58 16.382 -2.238 9.542 1.00 0.00 C ATOM 867 C ILE A 58 15.656 -0.955 9.152 1.00 0.00 C ATOM 868 O ILE A 58 16.214 0.139 9.241 1.00 0.00 O ATOM 869 CB ILE A 58 17.024 -2.853 8.284 1.00 0.00 C ATOM 870 CG1 ILE A 58 18.065 -3.903 8.679 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.657 -1.768 7.427 1.00 0.00 C ATOM 872 CD1 ILE A 58 17.504 -5.306 8.769 1.00 0.00 C ATOM 0 H ILE A 58 15.200 -3.968 9.610 1.00 0.00 H new ATOM 0 HA ILE A 58 17.165 -2.005 10.263 1.00 0.00 H new ATOM 0 HB ILE A 58 16.245 -3.342 7.698 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.876 -3.891 7.951 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.497 -3.631 9.642 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.106 -2.219 6.542 1.00 0.00 H new ATOM 0 HG22 ILE A 58 16.893 -1.053 7.122 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.426 -1.253 8.002 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.297 -5.997 9.053 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.713 -5.334 9.518 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.098 -5.598 7.801 1.00 0.00 H new ATOM 884 N HIS A 59 14.407 -1.096 8.719 1.00 0.00 N ATOM 885 CA HIS A 59 13.602 0.052 8.317 1.00 0.00 C ATOM 886 C HIS A 59 13.485 1.059 9.458 1.00 0.00 C ATOM 887 O HIS A 59 13.586 2.268 9.244 1.00 0.00 O ATOM 888 CB HIS A 59 12.210 -0.402 7.879 1.00 0.00 C ATOM 889 CG HIS A 59 12.135 -0.795 6.435 1.00 0.00 C ATOM 890 ND1 HIS A 59 11.602 0.022 5.460 1.00 0.00 N ATOM 891 CD2 HIS A 59 12.531 -1.924 5.803 1.00 0.00 C ATOM 892 CE1 HIS A 59 11.672 -0.589 4.291 1.00 0.00 C ATOM 893 NE2 HIS A 59 12.233 -1.771 4.471 1.00 0.00 N ATOM 0 H HIS A 59 13.930 -1.994 8.638 1.00 0.00 H new ATOM 0 HA HIS A 59 14.099 0.536 7.476 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.903 -1.248 8.494 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.499 0.403 8.066 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.995 -2.785 6.261 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.329 -0.190 3.348 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.415 -2.458 3.740 1.00 0.00 H new ATOM 901 N ARG A 60 13.272 0.554 10.668 1.00 0.00 N ATOM 902 CA ARG A 60 13.140 1.409 11.841 1.00 0.00 C ATOM 903 C ARG A 60 14.369 2.299 12.006 1.00 0.00 C ATOM 904 O ARG A 60 14.251 3.486 12.306 1.00 0.00 O ATOM 905 CB ARG A 60 12.939 0.561 13.098 1.00 0.00 C ATOM 906 CG ARG A 60 12.068 -0.664 12.873 1.00 0.00 C ATOM 907 CD ARG A 60 11.661 -1.308 14.189 1.00 0.00 C ATOM 908 NE ARG A 60 10.819 -0.426 14.993 1.00 0.00 N ATOM 909 CZ ARG A 60 11.299 0.449 15.869 1.00 0.00 C ATOM 910 NH1 ARG A 60 12.607 0.559 16.054 1.00 0.00 N ATOM 911 NH2 ARG A 60 10.469 1.218 16.563 1.00 0.00 N ATOM 0 H ARG A 60 13.187 -0.444 10.862 1.00 0.00 H new ATOM 0 HA ARG A 60 12.267 2.046 11.698 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.912 0.241 13.470 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.489 1.179 13.875 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.176 -0.380 12.315 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.608 -1.389 12.264 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.126 -2.236 13.988 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.554 -1.571 14.755 1.00 0.00 H new ATOM 0 HE ARG A 60 9.808 -0.485 14.875 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.249 -0.030 15.523 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.972 1.232 16.728 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.462 1.137 16.424 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.838 1.890 17.236 1.00 0.00 H new ATOM 925 N ASN A 61 15.546 1.716 11.809 1.00 0.00 N ATOM 926 CA ASN A 61 16.797 2.455 11.937 1.00 0.00 C ATOM 927 C ASN A 61 16.797 3.685 11.033 1.00 0.00 C ATOM 928 O ASN A 61 17.145 4.785 11.463 1.00 0.00 O ATOM 929 CB ASN A 61 17.984 1.554 11.591 1.00 0.00 C ATOM 930 CG ASN A 61 17.869 0.180 12.221 1.00 0.00 C ATOM 931 OD1 ASN A 61 17.100 -0.022 13.161 1.00 0.00 O ATOM 932 ND2 ASN A 61 18.637 -0.773 11.705 1.00 0.00 N ATOM 0 H ASN A 61 15.660 0.734 11.560 1.00 0.00 H new ATOM 0 HA ASN A 61 16.890 2.786 12.971 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.054 1.450 10.508 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.907 2.028 11.926 1.00 0.00 H new ATOM 0 HD21 ASN A 61 18.604 -1.718 12.088 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.260 -0.560 10.926 1.00 0.00 H new ATOM 939 N LEU A 62 16.404 3.490 9.779 1.00 0.00 N ATOM 940 CA LEU A 62 16.358 4.582 8.813 1.00 0.00 C ATOM 941 C LEU A 62 15.966 5.892 9.491 1.00 0.00 C ATOM 942 O LEU A 62 16.619 6.918 9.306 1.00 0.00 O ATOM 943 CB LEU A 62 15.367 4.258 7.694 1.00 0.00 C ATOM 944 CG LEU A 62 15.602 2.943 6.950 1.00 0.00 C ATOM 945 CD1 LEU A 62 14.699 2.852 5.730 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.063 2.813 6.545 1.00 0.00 C ATOM 0 H LEU A 62 16.113 2.586 9.407 1.00 0.00 H new ATOM 0 HA LEU A 62 17.354 4.699 8.386 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.364 4.238 8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.389 5.072 6.969 1.00 0.00 H new ATOM 0 HG LEU A 62 15.357 2.119 7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.880 1.910 5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.656 2.899 6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.912 3.682 5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.212 1.871 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.335 3.642 5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.691 2.832 7.436 1.00 0.00 H new ATOM 958 N GLY A 63 14.896 5.848 10.279 1.00 0.00 N ATOM 959 CA GLY A 63 14.437 7.036 10.974 1.00 0.00 C ATOM 960 C GLY A 63 12.945 7.257 10.821 1.00 0.00 C ATOM 961 O GLY A 63 12.372 6.971 9.770 1.00 0.00 O ATOM 0 H GLY A 63 14.339 5.011 10.448 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.682 6.951 12.033 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.971 7.906 10.592 1.00 0.00 H new ATOM 965 N VAL A 64 12.313 7.767 11.874 1.00 0.00 N ATOM 966 CA VAL A 64 10.878 8.026 11.852 1.00 0.00 C ATOM 967 C VAL A 64 10.506 8.964 10.710 1.00 0.00 C ATOM 968 O VAL A 64 9.339 9.063 10.329 1.00 0.00 O ATOM 969 CB VAL A 64 10.399 8.638 13.182 1.00 0.00 C ATOM 970 CG1 VAL A 64 10.543 7.635 14.315 1.00 0.00 C ATOM 971 CG2 VAL A 64 11.168 9.915 13.488 1.00 0.00 C ATOM 0 H VAL A 64 12.772 8.009 12.752 1.00 0.00 H new ATOM 0 HA VAL A 64 10.385 7.065 11.704 1.00 0.00 H new ATOM 0 HB VAL A 64 9.343 8.891 13.086 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.200 8.086 15.246 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.943 6.751 14.097 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.590 7.347 14.416 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.817 10.334 14.431 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.232 9.690 13.565 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.007 10.637 12.688 1.00 0.00 H new ATOM 981 N HIS A 65 11.506 9.650 10.165 1.00 0.00 N ATOM 982 CA HIS A 65 11.284 10.581 9.064 1.00 0.00 C ATOM 983 C HIS A 65 11.385 9.865 7.720 1.00 0.00 C ATOM 984 O HIS A 65 10.782 10.289 6.734 1.00 0.00 O ATOM 985 CB HIS A 65 12.295 11.725 9.124 1.00 0.00 C ATOM 986 CG HIS A 65 13.710 11.266 9.301 1.00 0.00 C ATOM 987 ND1 HIS A 65 14.241 10.921 10.526 1.00 0.00 N ATOM 988 CD2 HIS A 65 14.704 11.094 8.399 1.00 0.00 C ATOM 989 CE1 HIS A 65 15.502 10.559 10.370 1.00 0.00 C ATOM 990 NE2 HIS A 65 15.807 10.654 9.088 1.00 0.00 N ATOM 0 H HIS A 65 12.477 9.579 10.468 1.00 0.00 H new ATOM 0 HA HIS A 65 10.279 10.991 9.163 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.224 12.310 8.207 1.00 0.00 H new ATOM 0 HB3 HIS A 65 12.031 12.389 9.947 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.641 11.270 7.335 1.00 0.00 H new ATOM 0 HE1 HIS A 65 16.170 10.240 11.156 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.715 10.436 8.677 1.00 0.00 H new ATOM 998 N ILE A 66 12.153 8.781 7.689 1.00 0.00 N ATOM 999 CA ILE A 66 12.332 8.008 6.467 1.00 0.00 C ATOM 1000 C ILE A 66 11.277 6.914 6.347 1.00 0.00 C ATOM 1001 O ILE A 66 10.659 6.745 5.296 1.00 0.00 O ATOM 1002 CB ILE A 66 13.731 7.365 6.408 1.00 0.00 C ATOM 1003 CG1 ILE A 66 14.798 8.434 6.161 1.00 0.00 C ATOM 1004 CG2 ILE A 66 13.779 6.300 5.322 1.00 0.00 C ATOM 1005 CD1 ILE A 66 16.150 8.082 6.739 1.00 0.00 C ATOM 0 H ILE A 66 12.661 8.419 8.496 1.00 0.00 H new ATOM 0 HA ILE A 66 12.225 8.704 5.635 1.00 0.00 H new ATOM 0 HB ILE A 66 13.936 6.888 7.367 1.00 0.00 H new ATOM 0 HG12 ILE A 66 14.901 8.592 5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.462 9.377 6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 66 14.774 5.855 5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.042 5.527 5.538 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.556 6.754 4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 66 16.857 8.884 6.526 1.00 0.00 H new ATOM 0 HD12 ILE A 66 16.062 7.953 7.818 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.507 7.155 6.290 1.00 0.00 H new ATOM 1017 N SER A 67 11.073 6.175 7.433 1.00 0.00 N ATOM 1018 CA SER A 67 10.093 5.095 7.450 1.00 0.00 C ATOM 1019 C SER A 67 9.630 4.804 8.874 1.00 0.00 C ATOM 1020 O SER A 67 10.400 4.933 9.827 1.00 0.00 O ATOM 1021 CB SER A 67 10.685 3.831 6.825 1.00 0.00 C ATOM 1022 OG SER A 67 9.755 2.762 6.859 1.00 0.00 O ATOM 0 H SER A 67 11.573 6.304 8.312 1.00 0.00 H new ATOM 0 HA SER A 67 9.230 5.411 6.864 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.975 4.033 5.794 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.591 3.547 7.361 1.00 0.00 H new ATOM 0 HG SER A 67 10.222 1.929 7.080 1.00 0.00 H new ATOM 1028 N ARG A 68 8.368 4.411 9.011 1.00 0.00 N ATOM 1029 CA ARG A 68 7.802 4.102 10.319 1.00 0.00 C ATOM 1030 C ARG A 68 7.227 2.689 10.342 1.00 0.00 C ATOM 1031 O ARG A 68 6.075 2.469 9.968 1.00 0.00 O ATOM 1032 CB ARG A 68 6.711 5.113 10.677 1.00 0.00 C ATOM 1033 CG ARG A 68 7.248 6.496 11.009 1.00 0.00 C ATOM 1034 CD ARG A 68 6.167 7.387 11.600 1.00 0.00 C ATOM 1035 NE ARG A 68 5.474 8.162 10.573 1.00 0.00 N ATOM 1036 CZ ARG A 68 4.794 9.274 10.826 1.00 0.00 C ATOM 1037 NH1 ARG A 68 4.715 9.740 12.065 1.00 0.00 N ATOM 1038 NH2 ARG A 68 4.191 9.924 9.839 1.00 0.00 N ATOM 0 H ARG A 68 7.718 4.299 8.233 1.00 0.00 H new ATOM 0 HA ARG A 68 8.602 4.163 11.057 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.014 5.194 9.843 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.145 4.738 11.530 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.074 6.407 11.715 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.649 6.958 10.107 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.446 6.773 12.139 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.614 8.066 12.327 1.00 0.00 H new ATOM 0 HE ARG A 68 5.515 7.831 9.609 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.177 9.244 12.827 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.192 10.595 12.256 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.249 9.570 8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.669 10.778 10.035 1.00 0.00 H new ATOM 1052 N VAL A 69 8.039 1.733 10.784 1.00 0.00 N ATOM 1053 CA VAL A 69 7.612 0.341 10.857 1.00 0.00 C ATOM 1054 C VAL A 69 6.550 0.147 11.934 1.00 0.00 C ATOM 1055 O VAL A 69 6.670 0.672 13.042 1.00 0.00 O ATOM 1056 CB VAL A 69 8.799 -0.596 11.148 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.340 -2.046 11.180 1.00 0.00 C ATOM 1058 CG2 VAL A 69 9.898 -0.399 10.115 1.00 0.00 C ATOM 0 H VAL A 69 8.996 1.898 11.097 1.00 0.00 H new ATOM 0 HA VAL A 69 7.189 0.089 9.884 1.00 0.00 H new ATOM 0 HB VAL A 69 9.204 -0.347 12.129 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.192 -2.693 11.387 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.590 -2.173 11.961 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.908 -2.312 10.215 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.729 -1.069 10.336 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.508 -0.620 9.122 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.246 0.633 10.146 1.00 0.00 H new ATOM 1068 N LYS A 70 5.510 -0.610 11.603 1.00 0.00 N ATOM 1069 CA LYS A 70 4.427 -0.876 12.541 1.00 0.00 C ATOM 1070 C LYS A 70 3.708 -2.174 12.189 1.00 0.00 C ATOM 1071 O LYS A 70 3.622 -2.550 11.020 1.00 0.00 O ATOM 1072 CB LYS A 70 3.430 0.286 12.544 1.00 0.00 C ATOM 1073 CG LYS A 70 2.957 0.684 11.157 1.00 0.00 C ATOM 1074 CD LYS A 70 1.511 1.151 11.175 1.00 0.00 C ATOM 1075 CE LYS A 70 1.384 2.554 11.748 1.00 0.00 C ATOM 1076 NZ LYS A 70 0.160 3.245 11.258 1.00 0.00 N ATOM 0 H LYS A 70 5.394 -1.051 10.690 1.00 0.00 H new ATOM 0 HA LYS A 70 4.860 -0.979 13.536 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.566 0.011 13.149 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.892 1.149 13.023 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.593 1.480 10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.058 -0.164 10.480 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.109 1.133 10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.912 0.460 11.767 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.360 2.501 12.836 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.264 3.138 11.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.424 4.152 10.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.316 2.648 10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.484 3.418 12.056 1.00 0.00 H new ATOM 1090 N SER A 71 3.193 -2.855 13.208 1.00 0.00 N ATOM 1091 CA SER A 71 2.483 -4.113 13.006 1.00 0.00 C ATOM 1092 C SER A 71 1.192 -3.889 12.225 1.00 0.00 C ATOM 1093 O SER A 71 0.423 -2.976 12.524 1.00 0.00 O ATOM 1094 CB SER A 71 2.171 -4.769 14.353 1.00 0.00 C ATOM 1095 OG SER A 71 3.223 -5.628 14.757 1.00 0.00 O ATOM 0 H SER A 71 3.254 -2.557 14.182 1.00 0.00 H new ATOM 0 HA SER A 71 3.126 -4.776 12.428 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.015 -3.999 15.109 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.243 -5.335 14.279 1.00 0.00 H new ATOM 0 HG SER A 71 3.415 -5.486 15.707 1.00 0.00 H new ATOM 1101 N VAL A 72 0.961 -4.731 11.223 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.237 -4.627 10.398 1.00 0.00 C ATOM 1103 C VAL A 72 -1.497 -4.840 11.230 1.00 0.00 C ATOM 1104 O VAL A 72 -2.533 -4.229 10.973 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.217 -5.650 9.247 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.118 -5.193 8.110 1.00 0.00 C ATOM 1107 CG2 VAL A 72 1.206 -5.869 8.755 1.00 0.00 C ATOM 0 H VAL A 72 1.587 -5.493 10.963 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.246 -3.621 9.979 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.599 -6.600 9.621 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.091 -5.929 7.306 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.140 -5.091 8.474 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.769 -4.231 7.734 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.202 -6.595 7.942 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.617 -4.925 8.397 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.820 -6.245 9.573 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.400 -5.712 12.229 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.532 -6.006 13.099 1.00 0.00 C ATOM 1119 C ASN A 73 -2.272 -5.507 14.517 1.00 0.00 C ATOM 1120 O ASN A 73 -2.928 -4.577 14.990 1.00 0.00 O ATOM 1121 CB ASN A 73 -2.809 -7.510 13.119 1.00 0.00 C ATOM 1122 CG ASN A 73 -4.073 -7.855 13.883 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -5.071 -7.138 13.811 1.00 0.00 O ATOM 1124 ND2 ASN A 73 -4.036 -8.959 14.621 1.00 0.00 N ATOM 0 H ASN A 73 -0.549 -6.227 12.455 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.406 -5.487 12.705 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.896 -7.874 12.095 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.962 -8.027 13.571 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.856 -9.242 15.157 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.187 -9.524 14.652 1.00 0.00 H new ATOM 1131 N LEU A 74 -1.311 -6.129 15.191 1.00 0.00 N ATOM 1132 CA LEU A 74 -0.962 -5.748 16.555 1.00 0.00 C ATOM 1133 C LEU A 74 -1.034 -4.234 16.733 1.00 0.00 C ATOM 1134 O LEU A 74 -1.394 -3.741 17.802 1.00 0.00 O ATOM 1135 CB LEU A 74 0.441 -6.248 16.903 1.00 0.00 C ATOM 1136 CG LEU A 74 0.693 -7.741 16.690 1.00 0.00 C ATOM 1137 CD1 LEU A 74 2.183 -8.042 16.736 1.00 0.00 C ATOM 1138 CD2 LEU A 74 -0.051 -8.562 17.733 1.00 0.00 C ATOM 0 H LEU A 74 -0.759 -6.900 14.815 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.683 -6.209 17.230 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.162 -5.689 16.307 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.640 -6.012 17.948 1.00 0.00 H new ATOM 0 HG LEU A 74 0.317 -8.016 15.705 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.344 -9.109 16.583 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.692 -7.482 15.951 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.583 -7.751 17.707 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.140 -9.622 17.566 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.294 -8.284 18.729 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.121 -8.369 17.653 1.00 0.00 H new ATOM 1150 N ASP A 75 -0.690 -3.503 15.678 1.00 0.00 N ATOM 1151 CA ASP A 75 -0.718 -2.046 15.716 1.00 0.00 C ATOM 1152 C ASP A 75 -2.045 -1.514 15.185 1.00 0.00 C ATOM 1153 O ASP A 75 -2.764 -2.214 14.472 1.00 0.00 O ATOM 1154 CB ASP A 75 0.440 -1.471 14.900 1.00 0.00 C ATOM 1155 CG ASP A 75 0.957 -0.164 15.469 1.00 0.00 C ATOM 1156 OD1 ASP A 75 1.844 -0.209 16.348 1.00 0.00 O ATOM 1157 OD2 ASP A 75 0.477 0.903 15.035 1.00 0.00 O ATOM 0 H ASP A 75 -0.389 -3.896 14.786 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.611 -1.732 16.754 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.253 -2.196 14.867 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.113 -1.312 13.872 1.00 0.00 H new ATOM 1162 N GLN A 76 -2.364 -0.273 15.539 1.00 0.00 N ATOM 1163 CA GLN A 76 -3.606 0.351 15.098 1.00 0.00 C ATOM 1164 C GLN A 76 -3.377 1.198 13.851 1.00 0.00 C ATOM 1165 O GLN A 76 -2.603 2.155 13.872 1.00 0.00 O ATOM 1166 CB GLN A 76 -4.191 1.217 16.216 1.00 0.00 C ATOM 1167 CG GLN A 76 -5.376 2.061 15.775 1.00 0.00 C ATOM 1168 CD GLN A 76 -6.594 1.225 15.438 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -6.841 0.907 14.274 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -7.365 0.863 16.457 1.00 0.00 N ATOM 0 H GLN A 76 -1.780 0.320 16.129 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.314 -0.441 14.852 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.501 0.573 17.039 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.411 1.874 16.601 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.631 2.765 16.567 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.093 2.651 14.904 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.123 1.148 17.406 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.199 0.300 16.291 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.054 0.839 12.766 1.00 0.00 N ATOM 1180 CA TRP A 77 -3.923 1.566 11.508 1.00 0.00 C ATOM 1181 C TRP A 77 -5.087 2.531 11.314 1.00 0.00 C ATOM 1182 O TRP A 77 -6.097 2.452 12.015 1.00 0.00 O ATOM 1183 CB TRP A 77 -3.855 0.587 10.334 1.00 0.00 C ATOM 1184 CG TRP A 77 -2.530 -0.102 10.212 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -1.921 -0.880 11.154 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -1.650 -0.072 9.083 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -0.715 -1.337 10.678 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -0.526 -0.855 9.410 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -1.703 0.539 7.827 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.534 -1.042 8.526 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -0.650 0.353 6.951 1.00 0.00 C ATOM 1192 CH2 TRP A 77 0.456 -0.432 7.304 1.00 0.00 C ATOM 0 H TRP A 77 -4.699 0.049 12.732 1.00 0.00 H new ATOM 0 HA TRP A 77 -2.999 2.143 11.545 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.637 -0.163 10.450 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.063 1.125 9.409 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.327 -1.104 12.130 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.066 -1.938 11.187 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -2.551 1.145 7.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 1.387 -1.647 8.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -0.680 0.821 5.978 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.263 -0.558 6.597 1.00 0.00 H new ATOM 1203 N THR A 78 -4.941 3.444 10.359 1.00 0.00 N ATOM 1204 CA THR A 78 -5.980 4.425 10.074 1.00 0.00 C ATOM 1205 C THR A 78 -6.245 4.526 8.576 1.00 0.00 C ATOM 1206 O THR A 78 -5.356 4.282 7.761 1.00 0.00 O ATOM 1207 CB THR A 78 -5.601 5.818 10.611 1.00 0.00 C ATOM 1208 OG1 THR A 78 -4.343 6.228 10.063 1.00 0.00 O ATOM 1209 CG2 THR A 78 -5.518 5.808 12.130 1.00 0.00 C ATOM 0 H THR A 78 -4.112 3.524 9.770 1.00 0.00 H new ATOM 0 HA THR A 78 -6.884 4.083 10.578 1.00 0.00 H new ATOM 0 HB THR A 78 -6.376 6.523 10.310 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.110 7.115 10.408 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.249 6.802 12.486 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.485 5.523 12.545 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.761 5.091 12.448 1.00 0.00 H new ATOM 1217 N ALA A 79 -7.474 4.887 8.220 1.00 0.00 N ATOM 1218 CA ALA A 79 -7.855 5.023 6.820 1.00 0.00 C ATOM 1219 C ALA A 79 -6.707 5.591 5.991 1.00 0.00 C ATOM 1220 O ALA A 79 -6.367 5.055 4.937 1.00 0.00 O ATOM 1221 CB ALA A 79 -9.088 5.905 6.691 1.00 0.00 C ATOM 0 H ALA A 79 -8.222 5.090 8.882 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.090 4.031 6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.361 5.998 5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.915 5.457 7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.873 6.893 7.098 1.00 0.00 H new ATOM 1227 N GLU A 80 -6.116 6.679 6.475 1.00 0.00 N ATOM 1228 CA GLU A 80 -5.008 7.319 5.777 1.00 0.00 C ATOM 1229 C GLU A 80 -3.908 6.310 5.460 1.00 0.00 C ATOM 1230 O GLU A 80 -3.455 6.208 4.320 1.00 0.00 O ATOM 1231 CB GLU A 80 -4.438 8.463 6.619 1.00 0.00 C ATOM 1232 CG GLU A 80 -3.440 9.331 5.871 1.00 0.00 C ATOM 1233 CD GLU A 80 -2.820 10.399 6.752 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -3.411 11.493 6.863 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -1.744 10.139 7.329 1.00 0.00 O ATOM 0 H GLU A 80 -6.386 7.135 7.347 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.389 7.722 4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.259 9.088 6.970 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.954 8.046 7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.651 8.700 5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.939 9.806 5.027 1.00 0.00 H new ATOM 1242 N GLN A 81 -3.484 5.567 6.477 1.00 0.00 N ATOM 1243 CA GLN A 81 -2.437 4.566 6.307 1.00 0.00 C ATOM 1244 C GLN A 81 -2.882 3.471 5.344 1.00 0.00 C ATOM 1245 O GLN A 81 -2.055 2.822 4.702 1.00 0.00 O ATOM 1246 CB GLN A 81 -2.065 3.953 7.658 1.00 0.00 C ATOM 1247 CG GLN A 81 -1.005 4.741 8.412 1.00 0.00 C ATOM 1248 CD GLN A 81 -1.460 6.145 8.761 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -1.969 6.874 7.909 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -1.277 6.532 10.018 1.00 0.00 N ATOM 0 H GLN A 81 -3.849 5.639 7.427 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.561 5.060 5.886 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.961 3.883 8.275 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.706 2.936 7.500 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.745 4.209 9.327 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.100 4.796 7.807 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.851 5.895 10.691 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.562 7.467 10.311 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.192 3.270 5.248 1.00 0.00 N ATOM 1260 CA ILE A 82 -4.746 2.253 4.363 1.00 0.00 C ATOM 1261 C ILE A 82 -4.816 2.756 2.925 1.00 0.00 C ATOM 1262 O ILE A 82 -4.731 1.974 1.979 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.154 1.821 4.813 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -6.085 1.119 6.171 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -6.786 0.909 3.772 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.517 -0.281 6.101 1.00 0.00 C ATOM 0 H ILE A 82 -4.890 3.798 5.772 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.078 1.393 4.413 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.776 2.710 4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.475 1.716 6.849 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.086 1.075 6.599 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.781 0.612 4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.864 1.439 2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.167 0.021 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.498 -0.716 7.100 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.140 -0.894 5.449 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.503 -0.243 5.703 1.00 0.00 H new ATOM 1278 N GLN A 83 -4.971 4.067 2.769 1.00 0.00 N ATOM 1279 CA GLN A 83 -5.052 4.675 1.446 1.00 0.00 C ATOM 1280 C GLN A 83 -3.719 4.562 0.713 1.00 0.00 C ATOM 1281 O GLN A 83 -3.679 4.505 -0.517 1.00 0.00 O ATOM 1282 CB GLN A 83 -5.461 6.144 1.561 1.00 0.00 C ATOM 1283 CG GLN A 83 -5.681 6.821 0.217 1.00 0.00 C ATOM 1284 CD GLN A 83 -7.114 6.708 -0.266 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -8.033 7.251 0.348 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -7.312 6.000 -1.372 1.00 0.00 N ATOM 0 H GLN A 83 -5.043 4.728 3.542 1.00 0.00 H new ATOM 0 HA GLN A 83 -5.808 4.139 0.873 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.377 6.213 2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.690 6.685 2.109 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -5.410 7.874 0.296 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.016 6.376 -0.523 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -6.521 5.567 -1.849 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.255 5.889 -1.745 1.00 0.00 H new ATOM 1295 N CYS A 84 -2.631 4.529 1.475 1.00 0.00 N ATOM 1296 CA CYS A 84 -1.296 4.424 0.897 1.00 0.00 C ATOM 1297 C CYS A 84 -0.970 2.977 0.542 1.00 0.00 C ATOM 1298 O CYS A 84 -0.421 2.699 -0.523 1.00 0.00 O ATOM 1299 CB CYS A 84 -0.252 4.971 1.872 1.00 0.00 C ATOM 1300 SG CYS A 84 0.149 3.847 3.230 1.00 0.00 S ATOM 0 H CYS A 84 -2.647 4.573 2.494 1.00 0.00 H new ATOM 0 HA CYS A 84 -1.274 5.017 -0.017 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.661 5.198 1.321 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -0.616 5.911 2.288 1.00 0.00 H new ATOM 0 HG CYS A 84 -0.882 3.728 4.013 1.00 0.00 H new ATOM 1306 N MET A 85 -1.311 2.061 1.442 1.00 0.00 N ATOM 1307 CA MET A 85 -1.053 0.643 1.223 1.00 0.00 C ATOM 1308 C MET A 85 -1.542 0.208 -0.155 1.00 0.00 C ATOM 1309 O MET A 85 -0.865 -0.547 -0.853 1.00 0.00 O ATOM 1310 CB MET A 85 -1.735 -0.195 2.307 1.00 0.00 C ATOM 1311 CG MET A 85 -1.067 -0.088 3.668 1.00 0.00 C ATOM 1312 SD MET A 85 0.686 -0.507 3.616 1.00 0.00 S ATOM 1313 CE MET A 85 0.622 -2.141 2.883 1.00 0.00 C ATOM 0 H MET A 85 -1.766 2.275 2.329 1.00 0.00 H new ATOM 0 HA MET A 85 0.024 0.483 1.274 1.00 0.00 H new ATOM 0 HB2 MET A 85 -2.775 0.118 2.396 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.742 -1.240 1.996 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.183 0.928 4.046 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.574 -0.750 4.370 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.360 -2.784 3.363 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.373 -2.564 3.022 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.840 -2.071 1.817 1.00 0.00 H new ATOM 1323 N GLN A 86 -2.720 0.689 -0.539 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.298 0.348 -1.833 1.00 0.00 C ATOM 1325 C GLN A 86 -2.707 1.216 -2.939 1.00 0.00 C ATOM 1326 O GLN A 86 -2.108 0.708 -3.887 1.00 0.00 O ATOM 1327 CB GLN A 86 -4.818 0.513 -1.796 1.00 0.00 C ATOM 1328 CG GLN A 86 -5.526 -0.547 -0.968 1.00 0.00 C ATOM 1329 CD GLN A 86 -4.856 -0.785 0.371 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -3.724 -1.265 0.436 1.00 0.00 O ATOM 1331 NE2 GLN A 86 -5.554 -0.448 1.450 1.00 0.00 N ATOM 0 H GLN A 86 -3.292 1.315 0.027 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.058 -0.694 -2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.058 1.497 -1.393 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.203 0.483 -2.815 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.560 -0.244 -0.804 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.553 -1.482 -1.528 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.489 -0.053 1.350 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.155 -0.584 2.379 1.00 0.00 H new ATOM 1340 N ASP A 87 -2.882 2.527 -2.812 1.00 0.00 N ATOM 1341 CA ASP A 87 -2.365 3.466 -3.800 1.00 0.00 C ATOM 1342 C ASP A 87 -0.953 3.082 -4.230 1.00 0.00 C ATOM 1343 O ASP A 87 -0.604 3.173 -5.406 1.00 0.00 O ATOM 1344 CB ASP A 87 -2.371 4.888 -3.236 1.00 0.00 C ATOM 1345 CG ASP A 87 -3.678 5.610 -3.498 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -4.210 5.485 -4.621 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -4.169 6.299 -2.580 1.00 0.00 O ATOM 0 H ASP A 87 -3.378 2.963 -2.035 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.014 3.427 -4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.189 4.850 -2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.552 5.454 -3.678 1.00 0.00 H new ATOM 1352 N MET A 88 -0.144 2.652 -3.267 1.00 0.00 N ATOM 1353 CA MET A 88 1.231 2.253 -3.546 1.00 0.00 C ATOM 1354 C MET A 88 1.343 0.737 -3.670 1.00 0.00 C ATOM 1355 O MET A 88 1.489 0.204 -4.769 1.00 0.00 O ATOM 1356 CB MET A 88 2.164 2.756 -2.443 1.00 0.00 C ATOM 1357 CG MET A 88 3.639 2.600 -2.776 1.00 0.00 C ATOM 1358 SD MET A 88 4.328 4.058 -3.583 1.00 0.00 S ATOM 1359 CE MET A 88 5.038 3.326 -5.056 1.00 0.00 C ATOM 0 H MET A 88 -0.416 2.571 -2.287 1.00 0.00 H new ATOM 0 HA MET A 88 1.527 2.700 -4.495 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.953 3.808 -2.251 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.949 2.215 -1.522 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.195 2.400 -1.860 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.771 1.734 -3.425 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.108 3.181 -4.910 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.564 2.363 -5.249 1.00 0.00 H new ATOM 0 HE3 MET A 88 4.874 3.988 -5.906 1.00 0.00 H new ATOM 1369 N GLY A 89 1.274 0.048 -2.535 1.00 0.00 N ATOM 1370 CA GLY A 89 1.370 -1.400 -2.540 1.00 0.00 C ATOM 1371 C GLY A 89 2.735 -1.890 -2.980 1.00 0.00 C ATOM 1372 O GLY A 89 3.704 -1.131 -2.980 1.00 0.00 O ATOM 0 H GLY A 89 1.153 0.467 -1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.157 -1.778 -1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.609 -1.809 -3.205 1.00 0.00 H new ATOM 1376 N ASN A 90 2.814 -3.163 -3.354 1.00 0.00 N ATOM 1377 CA ASN A 90 4.072 -3.753 -3.796 1.00 0.00 C ATOM 1378 C ASN A 90 4.156 -3.777 -5.319 1.00 0.00 C ATOM 1379 O ASN A 90 5.245 -3.732 -5.894 1.00 0.00 O ATOM 1380 CB ASN A 90 4.215 -5.173 -3.244 1.00 0.00 C ATOM 1381 CG ASN A 90 4.091 -5.221 -1.733 1.00 0.00 C ATOM 1382 OD1 ASN A 90 3.410 -4.392 -1.129 1.00 0.00 O ATOM 1383 ND2 ASN A 90 4.751 -6.194 -1.116 1.00 0.00 N ATOM 0 H ASN A 90 2.022 -3.805 -3.360 1.00 0.00 H new ATOM 0 HA ASN A 90 4.887 -3.138 -3.414 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.452 -5.811 -3.689 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.182 -5.579 -3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.706 -6.277 -0.100 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.303 -6.859 -1.658 1.00 0.00 H new ATOM 1390 N THR A 91 2.998 -3.848 -5.969 1.00 0.00 N ATOM 1391 CA THR A 91 2.940 -3.878 -7.425 1.00 0.00 C ATOM 1392 C THR A 91 3.579 -2.631 -8.027 1.00 0.00 C ATOM 1393 O THR A 91 4.324 -2.713 -9.004 1.00 0.00 O ATOM 1394 CB THR A 91 1.488 -3.990 -7.927 1.00 0.00 C ATOM 1395 OG1 THR A 91 0.906 -5.216 -7.471 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.435 -3.932 -9.446 1.00 0.00 C ATOM 0 H THR A 91 2.088 -3.886 -5.510 1.00 0.00 H new ATOM 0 HA THR A 91 3.497 -4.759 -7.745 1.00 0.00 H new ATOM 0 HB THR A 91 0.922 -3.149 -7.527 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.057 -5.209 -7.653 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.400 -4.013 -9.777 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.853 -2.985 -9.789 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.015 -4.756 -9.862 1.00 0.00 H new ATOM 1404 N LYS A 92 3.282 -1.478 -7.439 1.00 0.00 N ATOM 1405 CA LYS A 92 3.829 -0.213 -7.916 1.00 0.00 C ATOM 1406 C LYS A 92 5.175 0.079 -7.261 1.00 0.00 C ATOM 1407 O LYS A 92 6.085 0.608 -7.900 1.00 0.00 O ATOM 1408 CB LYS A 92 2.852 0.930 -7.627 1.00 0.00 C ATOM 1409 CG LYS A 92 1.683 0.989 -8.596 1.00 0.00 C ATOM 1410 CD LYS A 92 0.821 2.217 -8.354 1.00 0.00 C ATOM 1411 CE LYS A 92 1.487 3.478 -8.882 1.00 0.00 C ATOM 1412 NZ LYS A 92 0.524 4.608 -8.997 1.00 0.00 N ATOM 0 H LYS A 92 2.665 -1.393 -6.631 1.00 0.00 H new ATOM 0 HA LYS A 92 3.978 -0.293 -8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.468 0.821 -6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.392 1.876 -7.663 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.058 1.002 -9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.076 0.090 -8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.146 2.085 -8.839 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.631 2.325 -7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.303 3.763 -8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.927 3.275 -9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.017 5.449 -9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.242 4.346 -9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.123 4.819 -8.061 1.00 0.00 H new ATOM 1426 N ALA A 93 5.296 -0.270 -5.985 1.00 0.00 N ATOM 1427 CA ALA A 93 6.533 -0.049 -5.246 1.00 0.00 C ATOM 1428 C ALA A 93 7.700 -0.786 -5.895 1.00 0.00 C ATOM 1429 O ALA A 93 8.827 -0.291 -5.911 1.00 0.00 O ATOM 1430 CB ALA A 93 6.369 -0.488 -3.799 1.00 0.00 C ATOM 0 H ALA A 93 4.552 -0.707 -5.441 1.00 0.00 H new ATOM 0 HA ALA A 93 6.754 1.018 -5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.300 -0.317 -3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.569 0.087 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.120 -1.549 -3.767 1.00 0.00 H new ATOM 1436 N ARG A 94 7.422 -1.970 -6.429 1.00 0.00 N ATOM 1437 CA ARG A 94 8.449 -2.776 -7.078 1.00 0.00 C ATOM 1438 C ARG A 94 8.856 -2.164 -8.415 1.00 0.00 C ATOM 1439 O ARG A 94 10.044 -2.029 -8.713 1.00 0.00 O ATOM 1440 CB ARG A 94 7.948 -4.205 -7.291 1.00 0.00 C ATOM 1441 CG ARG A 94 6.890 -4.325 -8.375 1.00 0.00 C ATOM 1442 CD ARG A 94 6.428 -5.763 -8.547 1.00 0.00 C ATOM 1443 NE ARG A 94 5.275 -5.865 -9.438 1.00 0.00 N ATOM 1444 CZ ARG A 94 4.860 -7.007 -9.974 1.00 0.00 C ATOM 1445 NH1 ARG A 94 5.499 -8.139 -9.711 1.00 0.00 N ATOM 1446 NH2 ARG A 94 3.803 -7.019 -10.776 1.00 0.00 N ATOM 0 H ARG A 94 6.494 -2.393 -6.425 1.00 0.00 H new ATOM 0 HA ARG A 94 9.323 -2.798 -6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.794 -4.843 -7.549 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.539 -4.581 -6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.037 -3.695 -8.123 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.291 -3.955 -9.319 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.247 -6.362 -8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.172 -6.180 -7.573 1.00 0.00 H new ATOM 0 HE ARG A 94 4.761 -5.013 -9.661 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.312 -8.134 -9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.177 -9.014 -10.125 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.309 -6.151 -10.981 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.485 -7.896 -11.187 1.00 0.00 H new ATOM 1460 N LEU A 95 7.864 -1.796 -9.218 1.00 0.00 N ATOM 1461 CA LEU A 95 8.117 -1.198 -10.524 1.00 0.00 C ATOM 1462 C LEU A 95 8.727 0.192 -10.377 1.00 0.00 C ATOM 1463 O LEU A 95 9.237 0.763 -11.343 1.00 0.00 O ATOM 1464 CB LEU A 95 6.820 -1.116 -11.330 1.00 0.00 C ATOM 1465 CG LEU A 95 6.034 -2.420 -11.471 1.00 0.00 C ATOM 1466 CD1 LEU A 95 4.641 -2.147 -12.016 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.778 -3.396 -12.370 1.00 0.00 C ATOM 0 H LEU A 95 6.876 -1.901 -8.987 1.00 0.00 H new ATOM 0 HA LEU A 95 8.827 -1.832 -11.055 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.172 -0.373 -10.864 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.059 -0.749 -12.328 1.00 0.00 H new ATOM 0 HG LEU A 95 5.934 -2.870 -10.483 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.096 -3.087 -12.110 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.107 -1.484 -11.335 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.720 -1.674 -12.995 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.204 -4.318 -12.459 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.909 -2.953 -13.357 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.754 -3.616 -11.938 1.00 0.00 H new ATOM 1479 N LEU A 96 8.674 0.731 -9.164 1.00 0.00 N ATOM 1480 CA LEU A 96 9.223 2.055 -8.890 1.00 0.00 C ATOM 1481 C LEU A 96 10.624 1.950 -8.295 1.00 0.00 C ATOM 1482 O LEU A 96 11.608 2.333 -8.927 1.00 0.00 O ATOM 1483 CB LEU A 96 8.307 2.821 -7.935 1.00 0.00 C ATOM 1484 CG LEU A 96 8.442 4.344 -7.952 1.00 0.00 C ATOM 1485 CD1 LEU A 96 9.688 4.778 -7.195 1.00 0.00 C ATOM 1486 CD2 LEU A 96 8.479 4.860 -9.384 1.00 0.00 C ATOM 0 H LEU A 96 8.257 0.272 -8.354 1.00 0.00 H new ATOM 0 HA LEU A 96 9.288 2.597 -9.833 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.274 2.565 -8.171 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.498 2.471 -6.921 1.00 0.00 H new ATOM 0 HG LEU A 96 7.572 4.772 -7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.767 5.865 -7.218 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.621 4.441 -6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.569 4.340 -7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.575 5.946 -9.377 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.330 4.423 -9.906 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.558 4.581 -9.895 1.00 0.00 H new ATOM 1498 N TYR A 97 10.705 1.427 -7.076 1.00 0.00 N ATOM 1499 CA TYR A 97 11.985 1.272 -6.395 1.00 0.00 C ATOM 1500 C TYR A 97 12.848 0.223 -7.090 1.00 0.00 C ATOM 1501 O TYR A 97 14.024 0.457 -7.367 1.00 0.00 O ATOM 1502 CB TYR A 97 11.764 0.880 -4.933 1.00 0.00 C ATOM 1503 CG TYR A 97 11.184 1.993 -4.089 1.00 0.00 C ATOM 1504 CD1 TYR A 97 9.816 2.231 -4.065 1.00 0.00 C ATOM 1505 CD2 TYR A 97 12.005 2.806 -3.317 1.00 0.00 C ATOM 1506 CE1 TYR A 97 9.281 3.247 -3.296 1.00 0.00 C ATOM 1507 CE2 TYR A 97 11.479 3.823 -2.544 1.00 0.00 C ATOM 1508 CZ TYR A 97 10.117 4.039 -2.537 1.00 0.00 C ATOM 1509 OH TYR A 97 9.589 5.052 -1.769 1.00 0.00 O ATOM 0 H TYR A 97 9.900 1.104 -6.540 1.00 0.00 H new ATOM 0 HA TYR A 97 12.507 2.228 -6.433 1.00 0.00 H new ATOM 0 HB2 TYR A 97 11.096 0.019 -4.893 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.715 0.566 -4.502 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.159 1.611 -4.657 1.00 0.00 H new ATOM 0 HD2 TYR A 97 13.072 2.640 -3.321 1.00 0.00 H new ATOM 0 HE1 TYR A 97 8.215 3.420 -3.289 1.00 0.00 H new ATOM 0 HE2 TYR A 97 12.131 4.445 -1.949 1.00 0.00 H new ATOM 0 HH TYR A 97 10.260 5.356 -1.122 1.00 0.00 H new ATOM 1519 N GLU A 98 12.254 -0.933 -7.368 1.00 0.00 N ATOM 1520 CA GLU A 98 12.968 -2.019 -8.030 1.00 0.00 C ATOM 1521 C GLU A 98 12.827 -1.918 -9.546 1.00 0.00 C ATOM 1522 O GLU A 98 12.716 -2.929 -10.238 1.00 0.00 O ATOM 1523 CB GLU A 98 12.444 -3.373 -7.547 1.00 0.00 C ATOM 1524 CG GLU A 98 12.884 -3.728 -6.136 1.00 0.00 C ATOM 1525 CD GLU A 98 12.776 -5.212 -5.848 1.00 0.00 C ATOM 1526 OE1 GLU A 98 11.675 -5.773 -6.031 1.00 0.00 O ATOM 1527 OE2 GLU A 98 13.791 -5.814 -5.439 1.00 0.00 O ATOM 0 H GLU A 98 11.281 -1.142 -7.145 1.00 0.00 H new ATOM 0 HA GLU A 98 14.024 -1.934 -7.774 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.355 -3.367 -7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.785 -4.150 -8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.915 -3.407 -5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.274 -3.177 -5.420 1.00 0.00 H new ATOM 1534 N ALA A 99 12.832 -0.690 -10.054 1.00 0.00 N ATOM 1535 CA ALA A 99 12.706 -0.456 -11.487 1.00 0.00 C ATOM 1536 C ALA A 99 14.075 -0.284 -12.138 1.00 0.00 C ATOM 1537 O ALA A 99 14.338 -0.834 -13.206 1.00 0.00 O ATOM 1538 CB ALA A 99 11.838 0.767 -11.748 1.00 0.00 C ATOM 0 H ALA A 99 12.922 0.158 -9.494 1.00 0.00 H new ATOM 0 HA ALA A 99 12.228 -1.329 -11.932 1.00 0.00 H new ATOM 0 HB1 ALA A 99 11.753 0.930 -12.822 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.846 0.606 -11.325 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.293 1.642 -11.283 1.00 0.00 H new ATOM 1544 N ASN A 100 14.942 0.485 -11.486 1.00 0.00 N ATOM 1545 CA ASN A 100 16.284 0.730 -12.003 1.00 0.00 C ATOM 1546 C ASN A 100 17.260 -0.332 -11.507 1.00 0.00 C ATOM 1547 O ASN A 100 18.469 -0.104 -11.454 1.00 0.00 O ATOM 1548 CB ASN A 100 16.768 2.119 -11.583 1.00 0.00 C ATOM 1549 CG ASN A 100 16.123 3.226 -12.396 1.00 0.00 C ATOM 1550 OD1 ASN A 100 15.129 3.885 -11.813 1.00 0.00 O flip ATOM 1551 ND2 ASN A 100 16.516 3.485 -13.534 1.00 0.00 N flip ATOM 0 H ASN A 100 14.740 0.948 -10.600 1.00 0.00 H new ATOM 0 HA ASN A 100 16.242 0.680 -13.091 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.549 2.273 -10.526 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.851 2.173 -11.695 1.00 0.00 H new ATOM 0 HD21 ASN A 100 17.284 2.952 -13.942 1.00 0.00 H new ATOM 0 HD22 ASN A 100 16.074 4.233 -14.068 1.00 0.00 H new ATOM 1558 N LEU A 101 16.728 -1.494 -11.145 1.00 0.00 N ATOM 1559 CA LEU A 101 17.552 -2.593 -10.653 1.00 0.00 C ATOM 1560 C LEU A 101 18.577 -3.016 -11.701 1.00 0.00 C ATOM 1561 O LEU A 101 18.369 -2.863 -12.905 1.00 0.00 O ATOM 1562 CB LEU A 101 16.672 -3.786 -10.274 1.00 0.00 C ATOM 1563 CG LEU A 101 16.058 -3.748 -8.874 1.00 0.00 C ATOM 1564 CD1 LEU A 101 15.104 -4.916 -8.678 1.00 0.00 C ATOM 1565 CD2 LEU A 101 17.149 -3.764 -7.813 1.00 0.00 C ATOM 0 H LEU A 101 15.730 -1.700 -11.183 1.00 0.00 H new ATOM 0 HA LEU A 101 18.086 -2.247 -9.768 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.864 -3.862 -11.002 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.268 -4.694 -10.363 1.00 0.00 H new ATOM 0 HG LEU A 101 15.492 -2.822 -8.771 1.00 0.00 H new ATOM 0 HD11 LEU A 101 14.677 -4.873 -7.676 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.304 -4.860 -9.416 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.646 -5.853 -8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 101 16.694 -3.737 -6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 101 17.742 -4.673 -7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 101 17.793 -2.894 -7.940 1.00 0.00 H new ATOM 1664 N ARG A 107 18.464 -10.703 -5.033 1.00 0.00 N ATOM 1665 CA ARG A 107 17.999 -10.425 -3.680 1.00 0.00 C ATOM 1666 C ARG A 107 19.009 -10.912 -2.646 1.00 0.00 C ATOM 1667 O ARG A 107 19.408 -12.077 -2.633 1.00 0.00 O ATOM 1668 CB ARG A 107 16.643 -11.090 -3.437 1.00 0.00 C ATOM 1669 CG ARG A 107 15.460 -10.234 -3.859 1.00 0.00 C ATOM 1670 CD ARG A 107 14.138 -10.925 -3.562 1.00 0.00 C ATOM 1671 NE ARG A 107 14.004 -12.185 -4.290 1.00 0.00 N ATOM 1672 CZ ARG A 107 13.819 -12.259 -5.603 1.00 0.00 C ATOM 1673 NH1 ARG A 107 13.748 -11.152 -6.329 1.00 0.00 N ATOM 1674 NH2 ARG A 107 13.706 -13.442 -6.193 1.00 0.00 N ATOM 0 HA ARG A 107 17.891 -9.345 -3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.609 -12.035 -3.980 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.549 -11.327 -2.377 1.00 0.00 H new ATOM 0 HG2 ARG A 107 15.497 -9.278 -3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 107 15.528 -10.018 -4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.060 -11.115 -2.491 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.315 -10.263 -3.829 1.00 0.00 H new ATOM 0 HE ARG A 107 14.055 -13.055 -3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.836 -10.241 -5.879 1.00 0.00 H new ATOM 0 HH12 ARG A 107 13.606 -11.212 -7.337 1.00 0.00 H new ATOM 0 HH21 ARG A 107 13.761 -14.296 -5.638 1.00 0.00 H new ATOM 0 HH22 ARG A 107 13.564 -13.497 -7.202 1.00 0.00 H new ATOM 1688 N PRO A 108 19.434 -10.001 -1.758 1.00 0.00 N ATOM 1689 CA PRO A 108 20.404 -10.315 -0.704 1.00 0.00 C ATOM 1690 C PRO A 108 19.819 -11.230 0.367 1.00 0.00 C ATOM 1691 O PRO A 108 18.665 -11.075 0.764 1.00 0.00 O ATOM 1692 CB PRO A 108 20.740 -8.944 -0.112 1.00 0.00 C ATOM 1693 CG PRO A 108 19.545 -8.103 -0.402 1.00 0.00 C ATOM 1694 CD PRO A 108 19.001 -8.595 -1.715 1.00 0.00 C ATOM 0 HA PRO A 108 21.270 -10.850 -1.093 1.00 0.00 H new ATOM 0 HB2 PRO A 108 20.927 -9.011 0.960 1.00 0.00 H new ATOM 0 HB3 PRO A 108 21.638 -8.526 -0.567 1.00 0.00 H new ATOM 0 HG2 PRO A 108 18.801 -8.197 0.389 1.00 0.00 H new ATOM 0 HG3 PRO A 108 19.815 -7.049 -0.462 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.915 -8.507 -1.758 1.00 0.00 H new ATOM 0 HD3 PRO A 108 19.401 -8.026 -2.554 1.00 0.00 H new ATOM 1702 N GLN A 109 20.624 -12.181 0.829 1.00 0.00 N ATOM 1703 CA GLN A 109 20.185 -13.120 1.855 1.00 0.00 C ATOM 1704 C GLN A 109 20.792 -12.770 3.209 1.00 0.00 C ATOM 1705 O GLN A 109 20.125 -12.855 4.241 1.00 0.00 O ATOM 1706 CB GLN A 109 20.568 -14.549 1.465 1.00 0.00 C ATOM 1707 CG GLN A 109 19.946 -15.611 2.358 1.00 0.00 C ATOM 1708 CD GLN A 109 18.512 -15.292 2.732 1.00 0.00 C ATOM 1709 OE1 GLN A 109 17.708 -14.931 1.740 1.00 0.00 O flip ATOM 1710 NE2 GLN A 109 18.132 -15.369 3.901 1.00 0.00 N flip ATOM 0 H GLN A 109 21.582 -12.322 0.510 1.00 0.00 H new ATOM 0 HA GLN A 109 19.100 -13.051 1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 109 20.264 -14.729 0.434 1.00 0.00 H new ATOM 0 HB3 GLN A 109 21.653 -14.648 1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 109 19.979 -16.574 1.848 1.00 0.00 H new ATOM 0 HG3 GLN A 109 20.541 -15.711 3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 109 18.785 -15.651 4.632 1.00 0.00 H new ATOM 0 HE22 GLN A 109 17.164 -15.151 4.138 1.00 0.00 H new ATOM 1719 N THR A 110 22.062 -12.376 3.200 1.00 0.00 N ATOM 1720 CA THR A 110 22.759 -12.015 4.427 1.00 0.00 C ATOM 1721 C THR A 110 22.437 -10.584 4.841 1.00 0.00 C ATOM 1722 O THR A 110 22.599 -9.649 4.056 1.00 0.00 O ATOM 1723 CB THR A 110 24.285 -12.161 4.270 1.00 0.00 C ATOM 1724 OG1 THR A 110 24.946 -11.686 5.448 1.00 0.00 O ATOM 1725 CG2 THR A 110 24.780 -11.388 3.058 1.00 0.00 C ATOM 0 H THR A 110 22.628 -12.299 2.355 1.00 0.00 H new ATOM 0 HA THR A 110 22.413 -12.701 5.201 1.00 0.00 H new ATOM 0 HB THR A 110 24.514 -13.217 4.126 1.00 0.00 H new ATOM 0 HG1 THR A 110 25.915 -11.784 5.341 1.00 0.00 H new ATOM 0 HG21 THR A 110 25.860 -11.506 2.967 1.00 0.00 H new ATOM 0 HG22 THR A 110 24.297 -11.772 2.160 1.00 0.00 H new ATOM 0 HG23 THR A 110 24.539 -10.332 3.177 1.00 0.00 H new ATOM 1733 N ASP A 111 21.982 -10.419 6.078 1.00 0.00 N ATOM 1734 CA ASP A 111 21.639 -9.100 6.598 1.00 0.00 C ATOM 1735 C ASP A 111 22.697 -8.072 6.211 1.00 0.00 C ATOM 1736 O ASP A 111 22.377 -7.007 5.683 1.00 0.00 O ATOM 1737 CB ASP A 111 21.491 -9.150 8.119 1.00 0.00 C ATOM 1738 CG ASP A 111 21.378 -7.770 8.736 1.00 0.00 C ATOM 1739 OD1 ASP A 111 22.428 -7.131 8.958 1.00 0.00 O ATOM 1740 OD2 ASP A 111 20.239 -7.328 8.995 1.00 0.00 O ATOM 0 H ASP A 111 21.842 -11.182 6.740 1.00 0.00 H new ATOM 0 HA ASP A 111 20.688 -8.800 6.158 1.00 0.00 H new ATOM 0 HB2 ASP A 111 20.607 -9.733 8.376 1.00 0.00 H new ATOM 0 HB3 ASP A 111 22.349 -9.667 8.548 1.00 0.00 H new ATOM 1745 N GLN A 112 23.958 -8.398 6.479 1.00 0.00 N ATOM 1746 CA GLN A 112 25.062 -7.501 6.160 1.00 0.00 C ATOM 1747 C GLN A 112 24.809 -6.771 4.845 1.00 0.00 C ATOM 1748 O GLN A 112 25.186 -5.610 4.686 1.00 0.00 O ATOM 1749 CB GLN A 112 26.374 -8.283 6.078 1.00 0.00 C ATOM 1750 CG GLN A 112 27.612 -7.402 6.139 1.00 0.00 C ATOM 1751 CD GLN A 112 28.894 -8.204 6.251 1.00 0.00 C ATOM 1752 OE1 GLN A 112 29.450 -8.651 5.247 1.00 0.00 O ATOM 1753 NE2 GLN A 112 29.370 -8.391 7.476 1.00 0.00 N ATOM 0 H GLN A 112 24.240 -9.276 6.916 1.00 0.00 H new ATOM 0 HA GLN A 112 25.137 -6.761 6.956 1.00 0.00 H new ATOM 0 HB2 GLN A 112 26.410 -9.003 6.896 1.00 0.00 H new ATOM 0 HB3 GLN A 112 26.390 -8.854 5.150 1.00 0.00 H new ATOM 0 HG2 GLN A 112 27.654 -6.779 5.245 1.00 0.00 H new ATOM 0 HG3 GLN A 112 27.533 -6.729 6.993 1.00 0.00 H new ATOM 0 HE21 GLN A 112 28.877 -8.002 8.280 1.00 0.00 H new ATOM 0 HE22 GLN A 112 30.229 -8.923 7.614 1.00 0.00 H new ATOM 1762 N ALA A 113 24.167 -7.459 3.906 1.00 0.00 N ATOM 1763 CA ALA A 113 23.862 -6.875 2.606 1.00 0.00 C ATOM 1764 C ALA A 113 22.436 -6.335 2.567 1.00 0.00 C ATOM 1765 O ALA A 113 22.203 -5.199 2.153 1.00 0.00 O ATOM 1766 CB ALA A 113 24.069 -7.904 1.504 1.00 0.00 C ATOM 0 H ALA A 113 23.848 -8.421 4.022 1.00 0.00 H new ATOM 0 HA ALA A 113 24.543 -6.040 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.838 -7.454 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 113 25.106 -8.239 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 113 23.412 -8.757 1.674 1.00 0.00 H new ATOM 1772 N VAL A 114 21.486 -7.157 3.001 1.00 0.00 N ATOM 1773 CA VAL A 114 20.082 -6.761 3.017 1.00 0.00 C ATOM 1774 C VAL A 114 19.906 -5.385 3.649 1.00 0.00 C ATOM 1775 O VAL A 114 19.479 -4.439 2.989 1.00 0.00 O ATOM 1776 CB VAL A 114 19.220 -7.781 3.785 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.760 -7.354 3.784 1.00 0.00 C ATOM 1778 CG2 VAL A 114 19.379 -9.170 3.185 1.00 0.00 C ATOM 0 H VAL A 114 21.662 -8.101 3.346 1.00 0.00 H new ATOM 0 HA VAL A 114 19.751 -6.725 1.979 1.00 0.00 H new ATOM 0 HB VAL A 114 19.562 -7.816 4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.166 -8.086 4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.666 -6.380 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.400 -7.290 2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.763 -9.878 3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 114 19.064 -9.154 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 114 20.424 -9.474 3.243 1.00 0.00 H new ATOM 1788 N GLU A 115 20.239 -5.282 4.932 1.00 0.00 N ATOM 1789 CA GLU A 115 20.117 -4.021 5.653 1.00 0.00 C ATOM 1790 C GLU A 115 20.473 -2.842 4.752 1.00 0.00 C ATOM 1791 O GLU A 115 19.673 -1.925 4.566 1.00 0.00 O ATOM 1792 CB GLU A 115 21.020 -4.024 6.888 1.00 0.00 C ATOM 1793 CG GLU A 115 21.114 -2.673 7.577 1.00 0.00 C ATOM 1794 CD GLU A 115 22.444 -2.466 8.275 1.00 0.00 C ATOM 1795 OE1 GLU A 115 23.058 -3.469 8.695 1.00 0.00 O ATOM 1796 OE2 GLU A 115 22.872 -1.299 8.401 1.00 0.00 O ATOM 0 H GLU A 115 20.595 -6.056 5.493 1.00 0.00 H new ATOM 0 HA GLU A 115 19.080 -3.913 5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.646 -4.760 7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.020 -4.344 6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 115 20.967 -1.883 6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 115 20.308 -2.584 8.305 1.00 0.00 H new ATOM 1803 N PHE A 116 21.679 -2.874 4.195 1.00 0.00 N ATOM 1804 CA PHE A 116 22.143 -1.808 3.315 1.00 0.00 C ATOM 1805 C PHE A 116 21.216 -1.654 2.113 1.00 0.00 C ATOM 1806 O PHE A 116 20.653 -0.583 1.882 1.00 0.00 O ATOM 1807 CB PHE A 116 23.569 -2.094 2.840 1.00 0.00 C ATOM 1808 CG PHE A 116 24.622 -1.715 3.842 1.00 0.00 C ATOM 1809 CD1 PHE A 116 24.606 -0.468 4.446 1.00 0.00 C ATOM 1810 CD2 PHE A 116 25.627 -2.606 4.181 1.00 0.00 C ATOM 1811 CE1 PHE A 116 25.574 -0.117 5.367 1.00 0.00 C ATOM 1812 CE2 PHE A 116 26.598 -2.261 5.103 1.00 0.00 C ATOM 1813 CZ PHE A 116 26.570 -1.015 5.697 1.00 0.00 C ATOM 0 H PHE A 116 22.353 -3.627 4.337 1.00 0.00 H new ATOM 0 HA PHE A 116 22.136 -0.876 3.880 1.00 0.00 H new ATOM 0 HB2 PHE A 116 23.661 -3.156 2.612 1.00 0.00 H new ATOM 0 HB3 PHE A 116 23.750 -1.552 1.912 1.00 0.00 H new ATOM 0 HD1 PHE A 116 23.828 0.237 4.194 1.00 0.00 H new ATOM 0 HD2 PHE A 116 25.652 -3.582 3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 116 25.552 0.859 5.829 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.377 -2.965 5.358 1.00 0.00 H new ATOM 0 HZ PHE A 116 27.326 -0.743 6.419 1.00 0.00 H new ATOM 1823 N PHE A 117 21.064 -2.730 1.349 1.00 0.00 N ATOM 1824 CA PHE A 117 20.207 -2.715 0.169 1.00 0.00 C ATOM 1825 C PHE A 117 18.966 -1.859 0.408 1.00 0.00 C ATOM 1826 O PHE A 117 18.665 -0.954 -0.370 1.00 0.00 O ATOM 1827 CB PHE A 117 19.793 -4.140 -0.205 1.00 0.00 C ATOM 1828 CG PHE A 117 18.672 -4.196 -1.203 1.00 0.00 C ATOM 1829 CD1 PHE A 117 18.834 -3.677 -2.477 1.00 0.00 C ATOM 1830 CD2 PHE A 117 17.455 -4.769 -0.867 1.00 0.00 C ATOM 1831 CE1 PHE A 117 17.804 -3.726 -3.397 1.00 0.00 C ATOM 1832 CE2 PHE A 117 16.422 -4.822 -1.783 1.00 0.00 C ATOM 1833 CZ PHE A 117 16.597 -4.301 -3.050 1.00 0.00 C ATOM 0 H PHE A 117 21.523 -3.624 1.526 1.00 0.00 H new ATOM 0 HA PHE A 117 20.773 -2.280 -0.655 1.00 0.00 H new ATOM 0 HB2 PHE A 117 20.657 -4.666 -0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 117 19.492 -4.671 0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 117 19.777 -3.229 -2.755 1.00 0.00 H new ATOM 0 HD2 PHE A 117 17.313 -5.179 0.122 1.00 0.00 H new ATOM 0 HE1 PHE A 117 17.943 -3.315 -4.386 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.479 -5.270 -1.508 1.00 0.00 H new ATOM 0 HZ PHE A 117 15.792 -4.343 -3.768 1.00 0.00 H new ATOM 1843 N ILE A 118 18.252 -2.153 1.489 1.00 0.00 N ATOM 1844 CA ILE A 118 17.045 -1.411 1.831 1.00 0.00 C ATOM 1845 C ILE A 118 17.358 0.059 2.087 1.00 0.00 C ATOM 1846 O ILE A 118 16.582 0.942 1.720 1.00 0.00 O ATOM 1847 CB ILE A 118 16.355 -2.001 3.075 1.00 0.00 C ATOM 1848 CG1 ILE A 118 15.952 -3.455 2.821 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.139 -1.167 3.452 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.676 -4.236 4.087 1.00 0.00 C ATOM 0 H ILE A 118 18.488 -2.899 2.143 1.00 0.00 H new ATOM 0 HA ILE A 118 16.371 -1.494 0.978 1.00 0.00 H new ATOM 0 HB ILE A 118 17.059 -1.979 3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.062 -3.472 2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 118 16.746 -3.951 2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 118 14.662 -1.597 4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 118 15.452 -0.146 3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 118 14.431 -1.160 2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.396 -5.258 3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.571 -4.250 4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.861 -3.764 4.636 1.00 0.00 H new ATOM 1862 N ARG A 119 18.500 0.315 2.716 1.00 0.00 N ATOM 1863 CA ARG A 119 18.916 1.679 3.020 1.00 0.00 C ATOM 1864 C ARG A 119 19.256 2.441 1.742 1.00 0.00 C ATOM 1865 O ARG A 119 18.650 3.470 1.442 1.00 0.00 O ATOM 1866 CB ARG A 119 20.126 1.669 3.957 1.00 0.00 C ATOM 1867 CG ARG A 119 19.755 1.696 5.430 1.00 0.00 C ATOM 1868 CD ARG A 119 20.981 1.538 6.316 1.00 0.00 C ATOM 1869 NE ARG A 119 21.634 2.817 6.579 1.00 0.00 N ATOM 1870 CZ ARG A 119 21.209 3.687 7.488 1.00 0.00 C ATOM 1871 NH1 ARG A 119 20.136 3.416 8.218 1.00 0.00 N ATOM 1872 NH2 ARG A 119 21.858 4.830 7.669 1.00 0.00 N ATOM 0 H ARG A 119 19.154 -0.404 3.025 1.00 0.00 H new ATOM 0 HA ARG A 119 18.086 2.184 3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 119 20.722 0.779 3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 119 20.755 2.531 3.734 1.00 0.00 H new ATOM 0 HG2 ARG A 119 19.255 2.636 5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 119 19.046 0.896 5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 119 20.689 1.079 7.261 1.00 0.00 H new ATOM 0 HD3 ARG A 119 21.689 0.861 5.838 1.00 0.00 H new ATOM 0 HE ARG A 119 22.463 3.056 6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 119 19.635 2.538 8.082 1.00 0.00 H new ATOM 0 HH12 ARG A 119 19.811 4.086 8.916 1.00 0.00 H new ATOM 0 HH21 ARG A 119 22.684 5.041 7.110 1.00 0.00 H new ATOM 0 HH22 ARG A 119 21.531 5.497 8.367 1.00 0.00 H new ATOM 1886 N ASP A 120 20.227 1.929 0.995 1.00 0.00 N ATOM 1887 CA ASP A 120 20.647 2.561 -0.251 1.00 0.00 C ATOM 1888 C ASP A 120 19.530 2.510 -1.289 1.00 0.00 C ATOM 1889 O ASP A 120 19.623 3.133 -2.347 1.00 0.00 O ATOM 1890 CB ASP A 120 21.900 1.877 -0.798 1.00 0.00 C ATOM 1891 CG ASP A 120 22.939 1.627 0.277 1.00 0.00 C ATOM 1892 OD1 ASP A 120 23.040 2.453 1.208 1.00 0.00 O ATOM 1893 OD2 ASP A 120 23.652 0.605 0.188 1.00 0.00 O ATOM 0 H ASP A 120 20.738 1.078 1.230 1.00 0.00 H new ATOM 0 HA ASP A 120 20.876 3.606 -0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.621 0.929 -1.258 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.335 2.496 -1.583 1.00 0.00 H new ATOM 1898 N LYS A 121 18.475 1.764 -0.980 1.00 0.00 N ATOM 1899 CA LYS A 121 17.340 1.631 -1.885 1.00 0.00 C ATOM 1900 C LYS A 121 16.240 2.626 -1.528 1.00 0.00 C ATOM 1901 O LYS A 121 15.653 3.258 -2.407 1.00 0.00 O ATOM 1902 CB LYS A 121 16.787 0.205 -1.837 1.00 0.00 C ATOM 1903 CG LYS A 121 15.538 0.007 -2.678 1.00 0.00 C ATOM 1904 CD LYS A 121 15.305 -1.460 -2.995 1.00 0.00 C ATOM 1905 CE LYS A 121 14.430 -2.125 -1.944 1.00 0.00 C ATOM 1906 NZ LYS A 121 12.981 -1.937 -2.229 1.00 0.00 N ATOM 0 H LYS A 121 18.382 1.242 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 121 17.687 1.846 -2.896 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.558 -0.486 -2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.563 -0.054 -0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.674 0.407 -2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 121 15.631 0.570 -3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 121 14.833 -1.551 -3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 121 16.263 -1.977 -3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.657 -3.190 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.664 -1.712 -0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.517 -1.509 -1.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.867 -1.311 -3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 12.545 -2.859 -2.432 1.00 0.00 H new ATOM 1920 N TYR A 122 15.968 2.760 -0.235 1.00 0.00 N ATOM 1921 CA TYR A 122 14.938 3.678 0.237 1.00 0.00 C ATOM 1922 C TYR A 122 15.560 4.951 0.803 1.00 0.00 C ATOM 1923 O TYR A 122 15.130 6.059 0.484 1.00 0.00 O ATOM 1924 CB TYR A 122 14.073 3.003 1.303 1.00 0.00 C ATOM 1925 CG TYR A 122 13.141 1.949 0.748 1.00 0.00 C ATOM 1926 CD1 TYR A 122 11.916 2.298 0.194 1.00 0.00 C ATOM 1927 CD2 TYR A 122 13.487 0.603 0.777 1.00 0.00 C ATOM 1928 CE1 TYR A 122 11.061 1.339 -0.313 1.00 0.00 C ATOM 1929 CE2 TYR A 122 12.639 -0.363 0.271 1.00 0.00 C ATOM 1930 CZ TYR A 122 11.428 0.010 -0.272 1.00 0.00 C ATOM 1931 OH TYR A 122 10.580 -0.949 -0.778 1.00 0.00 O ATOM 0 H TYR A 122 16.446 2.245 0.505 1.00 0.00 H new ATOM 0 HA TYR A 122 14.311 3.948 -0.613 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.722 2.545 2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.484 3.763 1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 122 11.627 3.338 0.159 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.435 0.307 1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 122 10.111 1.628 -0.739 1.00 0.00 H new ATOM 0 HE2 TYR A 122 12.923 -1.405 0.301 1.00 0.00 H new ATOM 0 HH TYR A 122 10.050 -0.565 -1.508 1.00 0.00 H new ATOM 1941 N GLU A 123 16.575 4.782 1.644 1.00 0.00 N ATOM 1942 CA GLU A 123 17.257 5.917 2.255 1.00 0.00 C ATOM 1943 C GLU A 123 17.958 6.765 1.196 1.00 0.00 C ATOM 1944 O GLU A 123 17.622 7.932 0.996 1.00 0.00 O ATOM 1945 CB GLU A 123 18.274 5.433 3.291 1.00 0.00 C ATOM 1946 CG GLU A 123 18.582 6.460 4.368 1.00 0.00 C ATOM 1947 CD GLU A 123 19.179 7.734 3.804 1.00 0.00 C ATOM 1948 OE1 GLU A 123 20.157 7.641 3.032 1.00 0.00 O ATOM 1949 OE2 GLU A 123 18.669 8.825 4.136 1.00 0.00 O ATOM 0 H GLU A 123 16.943 3.871 1.918 1.00 0.00 H new ATOM 0 HA GLU A 123 16.508 6.533 2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 123 17.896 4.526 3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.199 5.165 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.666 6.700 4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 123 19.274 6.027 5.090 1.00 0.00 H new ATOM 1956 N LYS A 124 18.935 6.169 0.521 1.00 0.00 N ATOM 1957 CA LYS A 124 19.684 6.866 -0.517 1.00 0.00 C ATOM 1958 C LYS A 124 18.842 7.030 -1.778 1.00 0.00 C ATOM 1959 O LYS A 124 19.061 7.948 -2.569 1.00 0.00 O ATOM 1960 CB LYS A 124 20.970 6.104 -0.845 1.00 0.00 C ATOM 1961 CG LYS A 124 21.855 5.855 0.364 1.00 0.00 C ATOM 1962 CD LYS A 124 23.132 5.126 -0.021 1.00 0.00 C ATOM 1963 CE LYS A 124 24.129 6.062 -0.686 1.00 0.00 C ATOM 1964 NZ LYS A 124 25.526 5.558 -0.569 1.00 0.00 N ATOM 0 H LYS A 124 19.227 5.204 0.675 1.00 0.00 H new ATOM 0 HA LYS A 124 19.941 7.857 -0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 124 20.710 5.147 -1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 124 21.535 6.665 -1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 124 22.105 6.806 0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 124 21.308 5.268 1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.583 4.685 0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 124 22.894 4.306 -0.698 1.00 0.00 H new ATOM 0 HE2 LYS A 124 23.872 6.178 -1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 124 24.060 7.050 -0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 26.175 6.224 -1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 25.781 5.471 0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.599 4.627 -1.026 1.00 0.00 H new ATOM 1978 N LYS A 125 17.876 6.136 -1.960 1.00 0.00 N ATOM 1979 CA LYS A 125 16.998 6.182 -3.123 1.00 0.00 C ATOM 1980 C LYS A 125 17.796 6.019 -4.413 1.00 0.00 C ATOM 1981 O LYS A 125 17.524 6.686 -5.412 1.00 0.00 O ATOM 1982 CB LYS A 125 16.226 7.503 -3.152 1.00 0.00 C ATOM 1983 CG LYS A 125 15.265 7.672 -1.988 1.00 0.00 C ATOM 1984 CD LYS A 125 14.094 6.709 -2.089 1.00 0.00 C ATOM 1985 CE LYS A 125 12.873 7.237 -1.350 1.00 0.00 C ATOM 1986 NZ LYS A 125 12.145 8.265 -2.145 1.00 0.00 N ATOM 0 H LYS A 125 17.681 5.370 -1.316 1.00 0.00 H new ATOM 0 HA LYS A 125 16.291 5.356 -3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 125 16.937 8.329 -3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 125 15.667 7.567 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 125 15.795 7.505 -1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.894 8.697 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.844 6.547 -3.138 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.380 5.742 -1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.200 6.410 -1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 125 13.183 7.667 -0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.320 8.600 -1.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 12.779 9.066 -2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 11.827 7.848 -3.043 1.00 0.00 H new ATOM 2000 N LYS A 126 18.780 5.127 -4.386 1.00 0.00 N ATOM 2001 CA LYS A 126 19.616 4.873 -5.554 1.00 0.00 C ATOM 2002 C LYS A 126 18.779 4.355 -6.719 1.00 0.00 C ATOM 2003 O LYS A 126 18.564 5.062 -7.704 1.00 0.00 O ATOM 2004 CB LYS A 126 20.713 3.863 -5.211 1.00 0.00 C ATOM 2005 CG LYS A 126 22.002 4.506 -4.729 1.00 0.00 C ATOM 2006 CD LYS A 126 22.920 3.490 -4.070 1.00 0.00 C ATOM 2007 CE LYS A 126 23.777 2.765 -5.096 1.00 0.00 C ATOM 2008 NZ LYS A 126 25.023 3.517 -5.410 1.00 0.00 N ATOM 0 H LYS A 126 19.019 4.567 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 126 20.078 5.814 -5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.344 3.186 -4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 126 20.926 3.257 -6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.516 4.969 -5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 126 21.770 5.301 -4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.563 3.993 -3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.324 2.766 -3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 126 24.036 1.776 -4.719 1.00 0.00 H new ATOM 0 HE3 LYS A 126 23.202 2.617 -6.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 25.579 2.989 -6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 24.777 4.452 -5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 25.585 3.636 -4.543 1.00 0.00 H new ATOM 2022 N TYR A 127 18.310 3.118 -6.600 1.00 0.00 N ATOM 2023 CA TYR A 127 17.498 2.505 -7.645 1.00 0.00 C ATOM 2024 C TYR A 127 16.147 3.205 -7.766 1.00 0.00 C ATOM 2025 O TYR A 127 15.462 3.085 -8.781 1.00 0.00 O ATOM 2026 CB TYR A 127 17.290 1.019 -7.352 1.00 0.00 C ATOM 2027 CG TYR A 127 18.529 0.324 -6.835 1.00 0.00 C ATOM 2028 CD1 TYR A 127 18.895 0.416 -5.498 1.00 0.00 C ATOM 2029 CD2 TYR A 127 19.335 -0.424 -7.685 1.00 0.00 C ATOM 2030 CE1 TYR A 127 20.028 -0.216 -5.022 1.00 0.00 C ATOM 2031 CE2 TYR A 127 20.468 -1.061 -7.217 1.00 0.00 C ATOM 2032 CZ TYR A 127 20.810 -0.954 -5.885 1.00 0.00 C ATOM 2033 OH TYR A 127 21.939 -1.586 -5.416 1.00 0.00 O ATOM 0 H TYR A 127 18.478 2.520 -5.791 1.00 0.00 H new ATOM 0 HA TYR A 127 18.028 2.611 -8.591 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.490 0.910 -6.619 1.00 0.00 H new ATOM 0 HB3 TYR A 127 16.958 0.521 -8.263 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.283 0.991 -4.819 1.00 0.00 H new ATOM 0 HD2 TYR A 127 19.071 -0.509 -8.729 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.299 -0.132 -3.980 1.00 0.00 H new ATOM 0 HE2 TYR A 127 21.083 -1.640 -7.890 1.00 0.00 H new ATOM 0 HH TYR A 127 22.376 -2.064 -6.152 1.00 0.00 H new ATOM 2043 N TYR A 128 15.773 3.938 -6.723 1.00 0.00 N ATOM 2044 CA TYR A 128 14.504 4.656 -6.710 1.00 0.00 C ATOM 2045 C TYR A 128 14.309 5.441 -8.004 1.00 0.00 C ATOM 2046 O TYR A 128 15.090 6.337 -8.323 1.00 0.00 O ATOM 2047 CB TYR A 128 14.444 5.605 -5.511 1.00 0.00 C ATOM 2048 CG TYR A 128 13.150 6.383 -5.419 1.00 0.00 C ATOM 2049 CD1 TYR A 128 11.973 5.766 -5.017 1.00 0.00 C ATOM 2050 CD2 TYR A 128 13.107 7.736 -5.735 1.00 0.00 C ATOM 2051 CE1 TYR A 128 10.789 6.472 -4.932 1.00 0.00 C ATOM 2052 CE2 TYR A 128 11.927 8.451 -5.651 1.00 0.00 C ATOM 2053 CZ TYR A 128 10.771 7.814 -5.250 1.00 0.00 C ATOM 2054 OH TYR A 128 9.594 8.522 -5.166 1.00 0.00 O ATOM 0 H TYR A 128 16.330 4.051 -5.876 1.00 0.00 H new ATOM 0 HA TYR A 128 13.701 3.923 -6.626 1.00 0.00 H new ATOM 0 HB2 TYR A 128 14.578 5.029 -4.595 1.00 0.00 H new ATOM 0 HB3 TYR A 128 15.276 6.306 -5.571 1.00 0.00 H new ATOM 0 HD1 TYR A 128 11.983 4.716 -4.766 1.00 0.00 H new ATOM 0 HD2 TYR A 128 14.010 8.237 -6.051 1.00 0.00 H new ATOM 0 HE1 TYR A 128 9.882 5.976 -4.618 1.00 0.00 H new ATOM 0 HE2 TYR A 128 11.910 9.502 -5.898 1.00 0.00 H new ATOM 0 HH TYR A 128 9.754 9.454 -5.423 1.00 0.00 H new ATOM 2064 N ASP A 129 13.261 5.096 -8.744 1.00 0.00 N ATOM 2065 CA ASP A 129 12.960 5.768 -10.003 1.00 0.00 C ATOM 2066 C ASP A 129 12.059 6.977 -9.772 1.00 0.00 C ATOM 2067 O ASP A 129 10.909 6.837 -9.353 1.00 0.00 O ATOM 2068 CB ASP A 129 12.292 4.796 -10.977 1.00 0.00 C ATOM 2069 CG ASP A 129 12.347 5.285 -12.411 1.00 0.00 C ATOM 2070 OD1 ASP A 129 12.234 6.510 -12.625 1.00 0.00 O ATOM 2071 OD2 ASP A 129 12.502 4.442 -13.320 1.00 0.00 O ATOM 0 H ASP A 129 12.606 4.355 -8.494 1.00 0.00 H new ATOM 0 HA ASP A 129 13.899 6.115 -10.435 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.781 3.824 -10.909 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.252 4.651 -10.685 1.00 0.00 H new