USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 948 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 104 MET CE :methyl -160:sc= -1.54 (180deg=-1.24) USER MOD Set 1.2: A 131 GLN :FLIP amide:sc= -0.46 F(o=-2.9,f=-2) USER MOD Set 1.3: A 132 TYR OH : rot 55:sc= 0 USER MOD Set 2.1: A 67 GLN : amide:sc= -0.0345 X(o=-0.035,f=-0.035) USER MOD Set 2.2: A 97 MET CE :methyl 180:sc=-0.00061 (180deg=-0.00061) USER MOD Set 3.1: A 39 TYR OH : rot 180:sc= -0.421 USER MOD Set 3.2: A 55 ASN : amide:sc= -0.0127 X(o=-0.43,f=-0.76) USER MOD Set 4.1: A 26 CYS SG : rot 90:sc= 0.0564 USER MOD Set 4.2: A 38 HIS :FLIP no HE2:sc= -1.74! C(o=-5.8!,f=-1.7!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 147:sc= 0.354 (180deg=-0.232) USER MOD Single : A 21 ASN : amide:sc= -0.335 X(o=-0.34,f=-0.48) USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= 0.711 (180deg=0.674) USER MOD Single : A 24 ASN : amide:sc= -0.414 X(o=-0.41,f=-0.068) USER MOD Single : A 28 GLN : amide:sc= -0.199 X(o=-0.2,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= -0.136 (180deg=-0.377) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0465 F(o=-3.1!,f=-0.046) USER MOD Single : A 36 MET CE :methyl 142:sc= -0.263 (180deg=-0.948) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 66:sc= 1.2 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.607 K(o=-0.61,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00558) USER MOD Single : A 51 LYS NZ :NH3+ -149:sc= -1.76! (180deg=-3.96!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 165:sc= 1.46 USER MOD Single : A 59 CYS SG : rot 132:sc= 0.436 USER MOD Single : A 60 TYR OH : rot 37:sc= 0.089 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -138:sc= 0.63 (180deg=-0.296) USER MOD Single : A 73 CYS SG : rot -83:sc= -0.811 USER MOD Single : A 76 CYS SG : rot -15:sc= -3.77! USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 163:sc= 1.06 (180deg=0.749) USER MOD Single : A 87 TYR OH : rot 25:sc= 0.0396 USER MOD Single : A 88 THR OG1 : rot -164:sc= 0.322 USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= 0.42 (180deg=0.411) USER MOD Single : A 98 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0322) USER MOD Single : A 100 TYR OH : rot 30:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0282 USER MOD Single : A 102 LYS NZ :NH3+ 157:sc= 0.759 (180deg=0.414) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.011) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -33:sc= 0.275 USER MOD Single : A 117 CYS SG : rot -48:sc= -9.14! USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.85) USER MOD Single : A 127 CYS SG : rot -105:sc= -3.95! USER MOD Single : A 128 MET CE :methyl -147:sc= -0.0274 (180deg=-0.66) USER MOD Single : A 129 MET CE :methyl -159:sc= -0.105 (180deg=-0.626) USER MOD Single : A 133 ASN :FLIP amide:sc= -0.119 F(o=-0.71,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 221 N LEU A 15 10.049 21.193 -1.269 1.00 32.12 N ATOM 222 CA LEU A 15 8.613 21.382 -1.587 1.00 22.21 C ATOM 223 C LEU A 15 7.923 20.011 -1.736 1.00 20.30 C ATOM 224 O LEU A 15 6.773 19.823 -1.310 1.00 71.01 O ATOM 225 CB LEU A 15 8.396 22.226 -2.889 1.00 13.22 C ATOM 226 CG LEU A 15 9.095 23.638 -2.970 1.00 74.11 C ATOM 227 CD1 LEU A 15 10.565 23.545 -3.450 1.00 41.35 C ATOM 228 CD2 LEU A 15 8.305 24.618 -3.857 1.00 25.20 C ATOM 0 HA LEU A 15 8.169 21.936 -0.760 1.00 22.21 H new ATOM 0 HB2 LEU A 15 8.740 21.632 -3.736 1.00 13.22 H new ATOM 0 HB3 LEU A 15 7.324 22.374 -3.018 1.00 13.22 H new ATOM 0 HG LEU A 15 9.104 24.027 -1.952 1.00 74.11 H new ATOM 0 HD11 LEU A 15 10.999 24.544 -3.488 1.00 41.35 H new ATOM 0 HD12 LEU A 15 11.136 22.927 -2.757 1.00 41.35 H new ATOM 0 HD13 LEU A 15 10.596 23.098 -4.444 1.00 41.35 H new ATOM 0 HD21 LEU A 15 8.820 25.578 -3.886 1.00 25.20 H new ATOM 0 HD22 LEU A 15 8.230 24.215 -4.867 1.00 25.20 H new ATOM 0 HD23 LEU A 15 7.305 24.755 -3.446 1.00 25.20 H new ATOM 240 N ALA A 16 8.678 19.049 -2.304 1.00 65.31 N ATOM 241 CA ALA A 16 8.214 17.673 -2.516 1.00 12.25 C ATOM 242 C ALA A 16 7.878 16.968 -1.184 1.00 41.22 C ATOM 243 O ALA A 16 7.008 16.092 -1.151 1.00 24.53 O ATOM 244 CB ALA A 16 9.256 16.880 -3.327 1.00 71.42 C ATOM 0 H ALA A 16 9.631 19.211 -2.629 1.00 65.31 H new ATOM 0 HA ALA A 16 7.288 17.713 -3.090 1.00 12.25 H new ATOM 0 HB1 ALA A 16 8.901 15.861 -3.478 1.00 71.42 H new ATOM 0 HB2 ALA A 16 9.405 17.359 -4.295 1.00 71.42 H new ATOM 0 HB3 ALA A 16 10.200 16.858 -2.783 1.00 71.42 H new ATOM 250 N LEU A 17 8.524 17.380 -0.067 1.00 13.00 N ATOM 251 CA LEU A 17 8.244 16.786 1.256 1.00 4.52 C ATOM 252 C LEU A 17 6.956 17.404 1.834 1.00 53.54 C ATOM 253 O LEU A 17 6.242 16.753 2.604 1.00 1.00 O ATOM 254 CB LEU A 17 9.489 16.922 2.217 1.00 22.42 C ATOM 255 CG LEU A 17 9.488 18.055 3.328 1.00 55.34 C ATOM 256 CD1 LEU A 17 8.772 17.601 4.626 1.00 22.20 C ATOM 257 CD2 LEU A 17 10.920 18.541 3.648 1.00 43.32 C ATOM 0 H LEU A 17 9.234 18.113 -0.058 1.00 13.00 H new ATOM 0 HA LEU A 17 8.072 15.715 1.150 1.00 4.52 H new ATOM 0 HB2 LEU A 17 9.619 15.966 2.724 1.00 22.42 H new ATOM 0 HB3 LEU A 17 10.370 17.074 1.593 1.00 22.42 H new ATOM 0 HG LEU A 17 8.926 18.891 2.912 1.00 55.34 H new ATOM 0 HD11 LEU A 17 8.797 18.409 5.357 1.00 22.20 H new ATOM 0 HD12 LEU A 17 7.736 17.347 4.400 1.00 22.20 H new ATOM 0 HD13 LEU A 17 9.279 16.727 5.035 1.00 22.20 H new ATOM 0 HD21 LEU A 17 10.879 19.316 4.413 1.00 43.32 H new ATOM 0 HD22 LEU A 17 11.516 17.704 4.012 1.00 43.32 H new ATOM 0 HD23 LEU A 17 11.377 18.946 2.745 1.00 43.32 H new ATOM 269 N MET A 18 6.643 18.645 1.403 1.00 13.14 N ATOM 270 CA MET A 18 5.515 19.430 1.940 1.00 11.50 C ATOM 271 C MET A 18 4.189 18.914 1.360 1.00 24.31 C ATOM 272 O MET A 18 3.207 18.723 2.088 1.00 4.22 O ATOM 273 CB MET A 18 5.700 20.936 1.598 1.00 62.25 C ATOM 274 CG MET A 18 7.045 21.524 2.040 1.00 75.53 C ATOM 275 SD MET A 18 7.359 21.303 3.800 1.00 2.13 S ATOM 276 CE MET A 18 8.882 22.219 3.984 1.00 5.53 C ATOM 0 H MET A 18 7.166 19.129 0.673 1.00 13.14 H new ATOM 0 HA MET A 18 5.492 19.317 3.024 1.00 11.50 H new ATOM 0 HB2 MET A 18 5.596 21.067 0.521 1.00 62.25 H new ATOM 0 HB3 MET A 18 4.897 21.504 2.067 1.00 62.25 H new ATOM 0 HG2 MET A 18 7.847 21.054 1.471 1.00 75.53 H new ATOM 0 HG3 MET A 18 7.067 22.588 1.802 1.00 75.53 H new ATOM 0 HE1 MET A 18 9.208 22.177 5.023 1.00 5.53 H new ATOM 0 HE2 MET A 18 9.649 21.782 3.345 1.00 5.53 H new ATOM 0 HE3 MET A 18 8.719 23.258 3.696 1.00 5.53 H new ATOM 286 N VAL A 19 4.214 18.658 0.042 1.00 54.13 N ATOM 287 CA VAL A 19 3.033 18.271 -0.740 1.00 22.13 C ATOM 288 C VAL A 19 2.531 16.857 -0.361 1.00 33.22 C ATOM 289 O VAL A 19 1.319 16.602 -0.362 1.00 62.24 O ATOM 290 CB VAL A 19 3.342 18.342 -2.277 1.00 45.14 C ATOM 291 CG1 VAL A 19 4.364 17.262 -2.690 1.00 43.14 C ATOM 292 CG2 VAL A 19 2.058 18.246 -3.133 1.00 2.24 C ATOM 0 H VAL A 19 5.066 18.715 -0.515 1.00 54.13 H new ATOM 0 HA VAL A 19 2.240 18.980 -0.503 1.00 22.13 H new ATOM 0 HB VAL A 19 3.784 19.320 -2.469 1.00 45.14 H new ATOM 0 HG11 VAL A 19 4.559 17.335 -3.760 1.00 43.14 H new ATOM 0 HG12 VAL A 19 5.294 17.412 -2.141 1.00 43.14 H new ATOM 0 HG13 VAL A 19 3.963 16.275 -2.461 1.00 43.14 H new ATOM 0 HG21 VAL A 19 2.320 18.299 -4.190 1.00 2.24 H new ATOM 0 HG22 VAL A 19 1.556 17.300 -2.931 1.00 2.24 H new ATOM 0 HG23 VAL A 19 1.391 19.071 -2.883 1.00 2.24 H new ATOM 302 N LYS A 20 3.476 15.945 -0.039 1.00 54.33 N ATOM 303 CA LYS A 20 3.142 14.552 0.284 1.00 71.24 C ATOM 304 C LYS A 20 2.442 14.467 1.656 1.00 41.51 C ATOM 305 O LYS A 20 1.599 13.590 1.865 1.00 72.53 O ATOM 306 CB LYS A 20 4.409 13.646 0.226 1.00 15.42 C ATOM 307 CG LYS A 20 5.438 13.848 1.362 1.00 4.11 C ATOM 308 CD LYS A 20 6.662 12.894 1.271 1.00 60.13 C ATOM 309 CE LYS A 20 7.623 13.220 0.117 1.00 54.33 C ATOM 310 NZ LYS A 20 8.821 12.340 0.114 1.00 54.24 N ATOM 0 H LYS A 20 4.473 16.155 0.002 1.00 54.33 H new ATOM 0 HA LYS A 20 2.445 14.181 -0.467 1.00 71.24 H new ATOM 0 HB2 LYS A 20 4.088 12.605 0.235 1.00 15.42 H new ATOM 0 HB3 LYS A 20 4.911 13.817 -0.727 1.00 15.42 H new ATOM 0 HG2 LYS A 20 5.790 14.879 1.343 1.00 4.11 H new ATOM 0 HG3 LYS A 20 4.942 13.698 2.321 1.00 4.11 H new ATOM 0 HD2 LYS A 20 7.212 12.935 2.211 1.00 60.13 H new ATOM 0 HD3 LYS A 20 6.305 11.871 1.155 1.00 60.13 H new ATOM 0 HE2 LYS A 20 7.096 13.116 -0.832 1.00 54.33 H new ATOM 0 HE3 LYS A 20 7.939 14.260 0.194 1.00 54.33 H new ATOM 0 HZ1 LYS A 20 9.128 12.174 -0.866 1.00 54.24 H new ATOM 0 HZ2 LYS A 20 9.589 12.798 0.645 1.00 54.24 H new ATOM 0 HZ3 LYS A 20 8.585 11.431 0.561 1.00 54.24 H new ATOM 324 N ASN A 21 2.797 15.410 2.567 1.00 12.53 N ATOM 325 CA ASN A 21 2.189 15.532 3.905 1.00 63.03 C ATOM 326 C ASN A 21 0.711 15.946 3.786 1.00 43.32 C ATOM 327 O ASN A 21 -0.178 15.269 4.312 1.00 1.25 O ATOM 328 CB ASN A 21 2.958 16.571 4.773 1.00 61.34 C ATOM 329 CG ASN A 21 4.391 16.170 5.133 1.00 63.45 C ATOM 330 OD1 ASN A 21 4.715 14.989 5.246 1.00 53.31 O ATOM 331 ND2 ASN A 21 5.257 17.160 5.334 1.00 31.23 N ATOM 0 H ASN A 21 3.518 16.108 2.386 1.00 12.53 H new ATOM 0 HA ASN A 21 2.250 14.559 4.392 1.00 63.03 H new ATOM 0 HB2 ASN A 21 2.984 17.521 4.239 1.00 61.34 H new ATOM 0 HB3 ASN A 21 2.400 16.738 5.694 1.00 61.34 H new ATOM 0 HD21 ASN A 21 6.222 16.950 5.590 1.00 31.23 H new ATOM 0 HD22 ASN A 21 4.956 18.129 5.232 1.00 31.23 H new ATOM 338 N LYS A 22 0.464 17.062 3.065 1.00 41.35 N ATOM 339 CA LYS A 22 -0.894 17.624 2.897 1.00 1.12 C ATOM 340 C LYS A 22 -1.771 16.706 2.009 1.00 61.13 C ATOM 341 O LYS A 22 -3.011 16.696 2.133 1.00 42.43 O ATOM 342 CB LYS A 22 -0.820 19.110 2.395 1.00 11.12 C ATOM 343 CG LYS A 22 0.023 19.368 1.113 1.00 63.21 C ATOM 344 CD LYS A 22 -0.764 19.204 -0.215 1.00 55.01 C ATOM 345 CE LYS A 22 -1.784 20.331 -0.451 1.00 2.21 C ATOM 346 NZ LYS A 22 -2.626 20.071 -1.643 1.00 62.24 N ATOM 0 H LYS A 22 1.192 17.594 2.588 1.00 41.35 H new ATOM 0 HA LYS A 22 -1.391 17.656 3.867 1.00 1.12 H new ATOM 0 HB2 LYS A 22 -1.836 19.459 2.211 1.00 11.12 H new ATOM 0 HB3 LYS A 22 -0.413 19.722 3.200 1.00 11.12 H new ATOM 0 HG2 LYS A 22 0.430 20.378 1.158 1.00 63.21 H new ATOM 0 HG3 LYS A 22 0.871 18.683 1.106 1.00 63.21 H new ATOM 0 HD2 LYS A 22 -0.061 19.178 -1.047 1.00 55.01 H new ATOM 0 HD3 LYS A 22 -1.284 18.246 -0.207 1.00 55.01 H new ATOM 0 HE2 LYS A 22 -2.420 20.435 0.428 1.00 2.21 H new ATOM 0 HE3 LYS A 22 -1.258 21.277 -0.577 1.00 2.21 H new ATOM 0 HZ1 LYS A 22 -3.205 20.910 -1.849 1.00 62.24 H new ATOM 0 HZ2 LYS A 22 -2.017 19.862 -2.460 1.00 62.24 H new ATOM 0 HZ3 LYS A 22 -3.248 19.258 -1.458 1.00 62.24 H new ATOM 360 N GLY A 23 -1.099 15.907 1.155 1.00 13.12 N ATOM 361 CA GLY A 23 -1.751 14.874 0.353 1.00 33.33 C ATOM 362 C GLY A 23 -2.469 13.826 1.205 1.00 2.21 C ATOM 363 O GLY A 23 -3.655 13.549 0.986 1.00 73.22 O ATOM 0 H GLY A 23 -0.091 15.967 1.009 1.00 13.12 H new ATOM 0 HA2 GLY A 23 -2.469 15.342 -0.320 1.00 33.33 H new ATOM 0 HA3 GLY A 23 -1.006 14.380 -0.270 1.00 33.33 H new ATOM 367 N ASN A 24 -1.748 13.250 2.198 1.00 74.25 N ATOM 368 CA ASN A 24 -2.315 12.240 3.119 1.00 63.11 C ATOM 369 C ASN A 24 -3.190 12.874 4.210 1.00 74.11 C ATOM 370 O ASN A 24 -4.035 12.179 4.794 1.00 53.54 O ATOM 371 CB ASN A 24 -1.214 11.337 3.752 1.00 73.04 C ATOM 372 CG ASN A 24 -0.257 12.055 4.710 1.00 65.35 C ATOM 373 OD1 ASN A 24 -0.558 12.247 5.885 1.00 1.32 O ATOM 374 ND2 ASN A 24 0.918 12.411 4.236 1.00 11.01 N ATOM 0 H ASN A 24 -0.769 13.470 2.380 1.00 74.25 H new ATOM 0 HA ASN A 24 -2.956 11.604 2.509 1.00 63.11 H new ATOM 0 HB2 ASN A 24 -1.699 10.522 4.290 1.00 73.04 H new ATOM 0 HB3 ASN A 24 -0.630 10.886 2.950 1.00 73.04 H new ATOM 0 HD21 ASN A 24 1.601 12.857 4.848 1.00 11.01 H new ATOM 0 HD22 ASN A 24 1.145 12.241 3.256 1.00 11.01 H new ATOM 381 N GLU A 25 -2.990 14.183 4.501 1.00 31.02 N ATOM 382 CA GLU A 25 -3.839 14.879 5.486 1.00 45.11 C ATOM 383 C GLU A 25 -5.235 15.102 4.876 1.00 41.24 C ATOM 384 O GLU A 25 -6.224 15.101 5.603 1.00 31.31 O ATOM 385 CB GLU A 25 -3.223 16.222 6.017 1.00 55.44 C ATOM 386 CG GLU A 25 -3.685 17.517 5.299 1.00 51.12 C ATOM 387 CD GLU A 25 -3.210 18.807 5.988 1.00 23.14 C ATOM 388 OE1 GLU A 25 -3.813 19.203 7.004 1.00 12.24 O ATOM 389 OE2 GLU A 25 -2.244 19.442 5.516 1.00 25.23 O ATOM 0 H GLU A 25 -2.265 14.762 4.077 1.00 31.02 H new ATOM 0 HA GLU A 25 -3.913 14.239 6.365 1.00 45.11 H new ATOM 0 HB2 GLU A 25 -3.462 16.314 7.077 1.00 55.44 H new ATOM 0 HB3 GLU A 25 -2.138 16.156 5.940 1.00 55.44 H new ATOM 0 HG2 GLU A 25 -3.315 17.505 4.274 1.00 51.12 H new ATOM 0 HG3 GLU A 25 -4.774 17.524 5.245 1.00 51.12 H new ATOM 396 N CYS A 26 -5.295 15.294 3.528 1.00 43.34 N ATOM 397 CA CYS A 26 -6.571 15.397 2.791 1.00 63.13 C ATOM 398 C CYS A 26 -7.450 14.148 3.006 1.00 53.01 C ATOM 399 O CYS A 26 -8.662 14.263 3.224 1.00 12.25 O ATOM 400 CB CYS A 26 -6.320 15.602 1.290 1.00 32.53 C ATOM 401 SG CYS A 26 -7.839 15.678 0.307 1.00 42.15 S ATOM 0 H CYS A 26 -4.469 15.380 2.936 1.00 43.34 H new ATOM 0 HA CYS A 26 -7.102 16.263 3.185 1.00 63.13 H new ATOM 0 HB2 CYS A 26 -5.757 16.524 1.147 1.00 32.53 H new ATOM 0 HB3 CYS A 26 -5.697 14.788 0.919 1.00 32.53 H new ATOM 0 HG CYS A 26 -8.246 16.910 0.232 1.00 42.15 H new ATOM 407 N PHE A 27 -6.810 12.961 2.979 1.00 35.52 N ATOM 408 CA PHE A 27 -7.484 11.666 3.219 1.00 20.43 C ATOM 409 C PHE A 27 -8.106 11.655 4.631 1.00 64.42 C ATOM 410 O PHE A 27 -9.278 11.286 4.814 1.00 50.00 O ATOM 411 CB PHE A 27 -6.463 10.507 3.029 1.00 72.21 C ATOM 412 CG PHE A 27 -7.087 9.109 2.960 1.00 25.23 C ATOM 413 CD1 PHE A 27 -7.745 8.674 1.807 1.00 55.44 C ATOM 414 CD2 PHE A 27 -7.017 8.234 4.041 1.00 54.25 C ATOM 415 CE1 PHE A 27 -8.307 7.410 1.741 1.00 74.30 C ATOM 416 CE2 PHE A 27 -7.581 6.969 3.976 1.00 40.32 C ATOM 417 CZ PHE A 27 -8.227 6.558 2.826 1.00 64.34 C ATOM 0 H PHE A 27 -5.812 12.872 2.790 1.00 35.52 H new ATOM 0 HA PHE A 27 -8.291 11.525 2.500 1.00 20.43 H new ATOM 0 HB2 PHE A 27 -5.899 10.684 2.113 1.00 72.21 H new ATOM 0 HB3 PHE A 27 -5.749 10.531 3.852 1.00 72.21 H new ATOM 0 HD1 PHE A 27 -7.816 9.333 0.954 1.00 55.44 H new ATOM 0 HD2 PHE A 27 -6.515 8.546 4.945 1.00 54.25 H new ATOM 0 HE1 PHE A 27 -8.809 7.090 0.840 1.00 74.30 H new ATOM 0 HE2 PHE A 27 -7.515 6.305 4.825 1.00 40.32 H new ATOM 0 HZ PHE A 27 -8.668 5.574 2.775 1.00 64.34 H new ATOM 427 N GLN A 28 -7.312 12.152 5.599 1.00 12.31 N ATOM 428 CA GLN A 28 -7.730 12.334 6.999 1.00 30.50 C ATOM 429 C GLN A 28 -8.914 13.331 7.113 1.00 12.13 C ATOM 430 O GLN A 28 -9.725 13.213 8.040 1.00 4.15 O ATOM 431 CB GLN A 28 -6.511 12.794 7.864 1.00 34.32 C ATOM 432 CG GLN A 28 -6.830 13.227 9.321 1.00 72.23 C ATOM 433 CD GLN A 28 -7.478 12.141 10.203 1.00 43.14 C ATOM 434 OE1 GLN A 28 -8.285 12.445 11.085 1.00 23.15 O ATOM 435 NE2 GLN A 28 -7.114 10.879 10.010 1.00 53.55 N ATOM 0 H GLN A 28 -6.349 12.442 5.426 1.00 12.31 H new ATOM 0 HA GLN A 28 -8.084 11.376 7.381 1.00 30.50 H new ATOM 0 HB2 GLN A 28 -5.788 11.979 7.899 1.00 34.32 H new ATOM 0 HB3 GLN A 28 -6.026 13.628 7.357 1.00 34.32 H new ATOM 0 HG2 GLN A 28 -5.905 13.554 9.796 1.00 72.23 H new ATOM 0 HG3 GLN A 28 -7.495 14.090 9.289 1.00 72.23 H new ATOM 0 HE21 GLN A 28 -6.445 10.648 9.275 1.00 53.55 H new ATOM 0 HE22 GLN A 28 -7.503 10.141 10.596 1.00 53.55 H new ATOM 444 N LYS A 29 -9.050 14.278 6.140 1.00 11.51 N ATOM 445 CA LYS A 29 -10.152 15.272 6.170 1.00 1.22 C ATOM 446 C LYS A 29 -11.504 14.592 5.849 1.00 25.25 C ATOM 447 O LYS A 29 -12.567 15.174 6.094 1.00 22.02 O ATOM 448 CB LYS A 29 -9.904 16.459 5.183 1.00 54.24 C ATOM 449 CG LYS A 29 -8.548 17.189 5.354 1.00 14.04 C ATOM 450 CD LYS A 29 -8.285 17.747 6.784 1.00 55.22 C ATOM 451 CE LYS A 29 -8.821 19.177 7.013 1.00 4.25 C ATOM 452 NZ LYS A 29 -10.264 19.342 6.681 1.00 30.20 N ATOM 0 H LYS A 29 -8.421 14.370 5.342 1.00 11.51 H new ATOM 0 HA LYS A 29 -10.184 15.683 7.179 1.00 1.22 H new ATOM 0 HB2 LYS A 29 -9.969 16.081 4.163 1.00 54.24 H new ATOM 0 HB3 LYS A 29 -10.707 17.186 5.305 1.00 54.24 H new ATOM 0 HG2 LYS A 29 -7.745 16.500 5.094 1.00 14.04 H new ATOM 0 HG3 LYS A 29 -8.503 18.014 4.643 1.00 14.04 H new ATOM 0 HD2 LYS A 29 -8.743 17.078 7.513 1.00 55.22 H new ATOM 0 HD3 LYS A 29 -7.212 17.738 6.974 1.00 55.22 H new ATOM 0 HE2 LYS A 29 -8.665 19.450 8.057 1.00 4.25 H new ATOM 0 HE3 LYS A 29 -8.238 19.874 6.411 1.00 4.25 H new ATOM 0 HZ1 LYS A 29 -10.589 20.277 7.001 1.00 30.20 H new ATOM 0 HZ2 LYS A 29 -10.395 19.263 5.652 1.00 30.20 H new ATOM 0 HZ3 LYS A 29 -10.817 18.602 7.158 1.00 30.20 H new ATOM 466 N GLY A 30 -11.443 13.352 5.320 1.00 2.14 N ATOM 467 CA GLY A 30 -12.633 12.588 4.936 1.00 22.12 C ATOM 468 C GLY A 30 -12.903 12.661 3.445 1.00 22.33 C ATOM 469 O GLY A 30 -13.941 12.186 2.980 1.00 61.24 O ATOM 0 H GLY A 30 -10.566 12.859 5.150 1.00 2.14 H new ATOM 0 HA2 GLY A 30 -12.505 11.546 5.230 1.00 22.12 H new ATOM 0 HA3 GLY A 30 -13.498 12.968 5.479 1.00 22.12 H new ATOM 473 N ASP A 31 -11.967 13.268 2.698 1.00 71.32 N ATOM 474 CA ASP A 31 -12.052 13.389 1.235 1.00 13.12 C ATOM 475 C ASP A 31 -11.159 12.326 0.596 1.00 31.03 C ATOM 476 O ASP A 31 -9.942 12.503 0.531 1.00 14.14 O ATOM 477 CB ASP A 31 -11.615 14.804 0.783 1.00 4.12 C ATOM 478 CG ASP A 31 -12.472 15.915 1.395 1.00 44.31 C ATOM 479 OD1 ASP A 31 -13.590 16.153 0.890 1.00 3.11 O ATOM 480 OD2 ASP A 31 -12.035 16.561 2.377 1.00 71.34 O ATOM 0 H ASP A 31 -11.127 13.690 3.094 1.00 71.32 H new ATOM 0 HA ASP A 31 -13.083 13.237 0.917 1.00 13.12 H new ATOM 0 HB2 ASP A 31 -10.572 14.962 1.059 1.00 4.12 H new ATOM 0 HB3 ASP A 31 -11.670 14.866 -0.304 1.00 4.12 H new ATOM 485 N TYR A 32 -11.764 11.209 0.171 1.00 53.44 N ATOM 486 CA TYR A 32 -11.045 10.057 -0.393 1.00 65.51 C ATOM 487 C TYR A 32 -10.557 10.351 -1.851 1.00 21.51 C ATOM 488 O TYR A 32 -9.352 10.237 -2.101 1.00 45.03 O ATOM 489 CB TYR A 32 -11.913 8.765 -0.300 1.00 50.51 C ATOM 490 CG TYR A 32 -12.256 8.326 1.146 1.00 53.43 C ATOM 491 CD1 TYR A 32 -12.968 9.161 2.010 1.00 63.12 C ATOM 492 CD2 TYR A 32 -11.876 7.083 1.638 1.00 43.21 C ATOM 493 CE1 TYR A 32 -13.281 8.777 3.293 1.00 72.25 C ATOM 494 CE2 TYR A 32 -12.189 6.690 2.926 1.00 63.14 C ATOM 495 CZ TYR A 32 -12.894 7.541 3.751 1.00 35.55 C ATOM 496 OH TYR A 32 -13.202 7.152 5.039 1.00 60.44 O ATOM 0 H TYR A 32 -12.775 11.078 0.209 1.00 53.44 H new ATOM 0 HA TYR A 32 -10.149 9.883 0.203 1.00 65.51 H new ATOM 0 HB2 TYR A 32 -12.842 8.926 -0.848 1.00 50.51 H new ATOM 0 HB3 TYR A 32 -11.386 7.951 -0.798 1.00 50.51 H new ATOM 0 HD1 TYR A 32 -13.281 10.134 1.661 1.00 63.12 H new ATOM 0 HD2 TYR A 32 -11.324 6.409 1.000 1.00 43.21 H new ATOM 0 HE1 TYR A 32 -13.830 9.446 3.939 1.00 72.25 H new ATOM 0 HE2 TYR A 32 -11.882 5.719 3.285 1.00 63.14 H new ATOM 0 HH TYR A 32 -12.855 6.250 5.200 1.00 60.44 H new ATOM 506 N PRO A 33 -11.452 10.764 -2.840 1.00 60.15 N ATOM 507 CA PRO A 33 -10.991 11.062 -4.224 1.00 74.11 C ATOM 508 C PRO A 33 -10.047 12.288 -4.264 1.00 62.21 C ATOM 509 O PRO A 33 -8.991 12.230 -4.889 1.00 2.14 O ATOM 510 CB PRO A 33 -12.305 11.306 -5.011 1.00 52.32 C ATOM 511 CG PRO A 33 -13.298 11.730 -3.970 1.00 74.13 C ATOM 512 CD PRO A 33 -12.931 10.964 -2.718 1.00 53.33 C ATOM 0 HA PRO A 33 -10.400 10.252 -4.652 1.00 74.11 H new ATOM 0 HB2 PRO A 33 -12.174 12.076 -5.771 1.00 52.32 H new ATOM 0 HB3 PRO A 33 -12.632 10.403 -5.526 1.00 52.32 H new ATOM 0 HG2 PRO A 33 -13.251 12.805 -3.799 1.00 74.13 H new ATOM 0 HG3 PRO A 33 -14.316 11.502 -4.284 1.00 74.13 H new ATOM 0 HD2 PRO A 33 -13.186 11.524 -1.818 1.00 53.33 H new ATOM 0 HD3 PRO A 33 -13.460 10.012 -2.662 1.00 53.33 H new ATOM 520 N GLN A 34 -10.417 13.369 -3.538 1.00 23.54 N ATOM 521 CA GLN A 34 -9.607 14.604 -3.466 1.00 43.32 C ATOM 522 C GLN A 34 -8.213 14.328 -2.861 1.00 31.11 C ATOM 523 O GLN A 34 -7.232 14.974 -3.249 1.00 13.14 O ATOM 524 CB GLN A 34 -10.373 15.700 -2.669 1.00 41.02 C ATOM 525 CG GLN A 34 -9.656 17.064 -2.491 1.00 71.03 C ATOM 526 CD GLN A 34 -9.607 18.013 -3.714 1.00 33.12 C ATOM 527 OE1 GLN A 34 -9.624 17.508 -4.944 1.00 75.20 O flip ATOM 528 NE2 GLN A 34 -9.555 19.231 -3.542 1.00 61.14 N flip ATOM 0 H GLN A 34 -11.277 13.408 -2.991 1.00 23.54 H new ATOM 0 HA GLN A 34 -9.444 14.971 -4.479 1.00 43.32 H new ATOM 0 HB2 GLN A 34 -11.326 15.879 -3.167 1.00 41.02 H new ATOM 0 HB3 GLN A 34 -10.601 15.304 -1.679 1.00 41.02 H new ATOM 0 HG2 GLN A 34 -10.143 17.595 -1.673 1.00 71.03 H new ATOM 0 HG3 GLN A 34 -8.631 16.866 -2.178 1.00 71.03 H new ATOM 0 HE21 GLN A 34 -9.542 19.612 -2.596 1.00 61.14 H new ATOM 0 HE22 GLN A 34 -9.525 19.859 -4.345 1.00 61.14 H new ATOM 537 N ALA A 35 -8.133 13.337 -1.940 1.00 63.31 N ATOM 538 CA ALA A 35 -6.853 12.852 -1.391 1.00 1.41 C ATOM 539 C ALA A 35 -5.976 12.273 -2.497 1.00 30.42 C ATOM 540 O ALA A 35 -4.779 12.525 -2.516 1.00 62.52 O ATOM 541 CB ALA A 35 -7.076 11.794 -0.306 1.00 53.20 C ATOM 0 H ALA A 35 -8.950 12.858 -1.562 1.00 63.31 H new ATOM 0 HA ALA A 35 -6.347 13.707 -0.943 1.00 1.41 H new ATOM 0 HB1 ALA A 35 -6.113 11.458 0.078 1.00 53.20 H new ATOM 0 HB2 ALA A 35 -7.660 12.224 0.507 1.00 53.20 H new ATOM 0 HB3 ALA A 35 -7.614 10.946 -0.730 1.00 53.20 H new ATOM 547 N MET A 36 -6.612 11.536 -3.437 1.00 23.43 N ATOM 548 CA MET A 36 -5.915 10.852 -4.545 1.00 74.33 C ATOM 549 C MET A 36 -5.332 11.900 -5.511 1.00 33.13 C ATOM 550 O MET A 36 -4.248 11.711 -6.057 1.00 33.02 O ATOM 551 CB MET A 36 -6.904 9.896 -5.277 1.00 51.44 C ATOM 552 CG MET A 36 -6.354 9.195 -6.536 1.00 22.13 C ATOM 553 SD MET A 36 -7.626 8.272 -7.431 1.00 14.12 S ATOM 554 CE MET A 36 -8.839 9.542 -7.796 1.00 75.42 C ATOM 0 H MET A 36 -7.623 11.400 -3.446 1.00 23.43 H new ATOM 0 HA MET A 36 -5.093 10.253 -4.153 1.00 74.33 H new ATOM 0 HB2 MET A 36 -7.229 9.131 -4.572 1.00 51.44 H new ATOM 0 HB3 MET A 36 -7.789 10.466 -5.559 1.00 51.44 H new ATOM 0 HG2 MET A 36 -5.916 9.940 -7.200 1.00 22.13 H new ATOM 0 HG3 MET A 36 -5.552 8.515 -6.248 1.00 22.13 H new ATOM 0 HE1 MET A 36 -9.253 9.374 -8.790 1.00 75.42 H new ATOM 0 HE2 MET A 36 -9.640 9.503 -7.058 1.00 75.42 H new ATOM 0 HE3 MET A 36 -8.362 10.521 -7.762 1.00 75.42 H new ATOM 564 N LYS A 37 -6.064 13.020 -5.662 1.00 61.22 N ATOM 565 CA LYS A 37 -5.664 14.155 -6.519 1.00 42.20 C ATOM 566 C LYS A 37 -4.508 14.941 -5.871 1.00 72.15 C ATOM 567 O LYS A 37 -3.574 15.382 -6.556 1.00 11.45 O ATOM 568 CB LYS A 37 -6.889 15.073 -6.759 1.00 14.53 C ATOM 569 CG LYS A 37 -8.101 14.323 -7.350 1.00 54.50 C ATOM 570 CD LYS A 37 -9.316 15.238 -7.616 1.00 32.30 C ATOM 571 CE LYS A 37 -10.508 14.477 -8.223 1.00 31.32 C ATOM 572 NZ LYS A 37 -11.663 15.369 -8.504 1.00 31.30 N ATOM 0 H LYS A 37 -6.956 13.165 -5.190 1.00 61.22 H new ATOM 0 HA LYS A 37 -5.311 13.776 -7.478 1.00 42.20 H new ATOM 0 HB2 LYS A 37 -7.180 15.535 -5.815 1.00 14.53 H new ATOM 0 HB3 LYS A 37 -6.604 15.880 -7.434 1.00 14.53 H new ATOM 0 HG2 LYS A 37 -7.804 13.845 -8.284 1.00 54.50 H new ATOM 0 HG3 LYS A 37 -8.397 13.528 -6.665 1.00 54.50 H new ATOM 0 HD2 LYS A 37 -9.626 15.705 -6.681 1.00 32.30 H new ATOM 0 HD3 LYS A 37 -9.021 16.041 -8.291 1.00 32.30 H new ATOM 0 HE2 LYS A 37 -10.194 13.991 -9.147 1.00 31.32 H new ATOM 0 HE3 LYS A 37 -10.819 13.688 -7.538 1.00 31.32 H new ATOM 0 HZ1 LYS A 37 -12.441 14.812 -8.912 1.00 31.30 H new ATOM 0 HZ2 LYS A 37 -11.982 15.813 -7.619 1.00 31.30 H new ATOM 0 HZ3 LYS A 37 -11.376 16.107 -9.178 1.00 31.30 H new ATOM 586 N HIS A 38 -4.585 15.088 -4.534 1.00 62.53 N ATOM 587 CA HIS A 38 -3.527 15.714 -3.718 1.00 35.15 C ATOM 588 C HIS A 38 -2.311 14.774 -3.559 1.00 60.52 C ATOM 589 O HIS A 38 -1.224 15.218 -3.179 1.00 61.15 O ATOM 590 CB HIS A 38 -4.086 16.196 -2.355 1.00 34.31 C ATOM 591 CG HIS A 38 -5.066 17.344 -2.481 1.00 25.34 C ATOM 592 ND1 HIS A 38 -6.190 17.647 -1.795 1.00 75.34 N flip ATOM 593 CD2 HIS A 38 -4.935 18.345 -3.420 1.00 62.31 C flip ATOM 594 CE1 HIS A 38 -6.698 18.798 -2.323 1.00 11.23 C flip ATOM 595 NE2 HIS A 38 -5.924 19.200 -3.300 1.00 5.14 N flip ATOM 0 H HIS A 38 -5.387 14.774 -3.987 1.00 62.53 H new ATOM 0 HA HIS A 38 -3.170 16.599 -4.245 1.00 35.15 H new ATOM 0 HB2 HIS A 38 -4.578 15.361 -1.856 1.00 34.31 H new ATOM 0 HB3 HIS A 38 -3.256 16.504 -1.718 1.00 34.31 H new ATOM 0 HD1 HIS A 38 -6.587 17.112 -1.022 1.00 75.34 H new ATOM 0 HD2 HIS A 38 -4.138 18.415 -4.146 1.00 62.31 H new ATOM 0 HE1 HIS A 38 -7.595 19.298 -1.989 1.00 11.23 H new ATOM 604 N TYR A 39 -2.521 13.469 -3.809 1.00 51.12 N ATOM 605 CA TYR A 39 -1.428 12.503 -3.971 1.00 45.43 C ATOM 606 C TYR A 39 -0.783 12.651 -5.358 1.00 73.34 C ATOM 607 O TYR A 39 0.426 12.580 -5.462 1.00 62.42 O ATOM 608 CB TYR A 39 -1.911 11.040 -3.767 1.00 40.12 C ATOM 609 CG TYR A 39 -2.148 10.631 -2.303 1.00 41.45 C ATOM 610 CD1 TYR A 39 -1.216 10.949 -1.313 1.00 73.13 C ATOM 611 CD2 TYR A 39 -3.279 9.904 -1.917 1.00 73.31 C ATOM 612 CE1 TYR A 39 -1.406 10.559 -0.006 1.00 3.34 C ATOM 613 CE2 TYR A 39 -3.465 9.506 -0.610 1.00 51.31 C ATOM 614 CZ TYR A 39 -2.533 9.832 0.341 1.00 63.14 C ATOM 615 OH TYR A 39 -2.716 9.408 1.644 1.00 11.05 O ATOM 0 H TYR A 39 -3.450 13.059 -3.903 1.00 51.12 H new ATOM 0 HA TYR A 39 -0.688 12.721 -3.201 1.00 45.43 H new ATOM 0 HB2 TYR A 39 -2.838 10.899 -4.322 1.00 40.12 H new ATOM 0 HB3 TYR A 39 -1.173 10.366 -4.202 1.00 40.12 H new ATOM 0 HD1 TYR A 39 -0.332 11.510 -1.577 1.00 73.13 H new ATOM 0 HD2 TYR A 39 -4.022 9.649 -2.658 1.00 73.31 H new ATOM 0 HE1 TYR A 39 -0.677 10.820 0.747 1.00 3.34 H new ATOM 0 HE2 TYR A 39 -4.342 8.939 -0.336 1.00 51.31 H new ATOM 0 HH TYR A 39 -3.559 8.913 1.711 1.00 11.05 H new ATOM 625 N THR A 40 -1.598 12.865 -6.414 1.00 32.04 N ATOM 626 CA THR A 40 -1.104 12.884 -7.814 1.00 2.23 C ATOM 627 C THR A 40 -0.150 14.075 -8.052 1.00 34.34 C ATOM 628 O THR A 40 0.877 13.919 -8.717 1.00 64.10 O ATOM 629 CB THR A 40 -2.291 12.915 -8.834 1.00 15.24 C ATOM 630 OG1 THR A 40 -3.183 11.817 -8.564 1.00 41.34 O ATOM 631 CG2 THR A 40 -1.825 12.820 -10.303 1.00 1.21 C ATOM 0 H THR A 40 -2.601 13.027 -6.326 1.00 32.04 H new ATOM 0 HA THR A 40 -0.544 11.963 -7.976 1.00 2.23 H new ATOM 0 HB THR A 40 -2.792 13.874 -8.706 1.00 15.24 H new ATOM 0 HG1 THR A 40 -3.602 11.944 -7.687 1.00 41.34 H new ATOM 0 HG21 THR A 40 -2.693 12.846 -10.962 1.00 1.21 H new ATOM 0 HG22 THR A 40 -1.170 13.660 -10.532 1.00 1.21 H new ATOM 0 HG23 THR A 40 -1.283 11.886 -10.453 1.00 1.21 H new ATOM 639 N GLU A 41 -0.485 15.249 -7.471 1.00 41.40 N ATOM 640 CA GLU A 41 0.405 16.432 -7.497 1.00 24.43 C ATOM 641 C GLU A 41 1.709 16.139 -6.716 1.00 32.54 C ATOM 642 O GLU A 41 2.772 16.667 -7.056 1.00 64.15 O ATOM 643 CB GLU A 41 -0.323 17.683 -6.928 1.00 72.05 C ATOM 644 CG GLU A 41 -0.812 17.516 -5.479 1.00 22.12 C ATOM 645 CD GLU A 41 -1.559 18.740 -4.921 1.00 4.10 C ATOM 646 OE1 GLU A 41 -2.721 18.970 -5.324 1.00 65.53 O ATOM 647 OE2 GLU A 41 -1.011 19.465 -4.062 1.00 35.34 O ATOM 0 H GLU A 41 -1.365 15.403 -6.979 1.00 41.40 H new ATOM 0 HA GLU A 41 0.669 16.646 -8.532 1.00 24.43 H new ATOM 0 HB2 GLU A 41 0.352 18.537 -6.977 1.00 72.05 H new ATOM 0 HB3 GLU A 41 -1.177 17.915 -7.565 1.00 72.05 H new ATOM 0 HG2 GLU A 41 -1.469 16.648 -5.427 1.00 22.12 H new ATOM 0 HG3 GLU A 41 0.045 17.305 -4.840 1.00 22.12 H new ATOM 654 N ALA A 42 1.611 15.273 -5.682 1.00 43.04 N ATOM 655 CA ALA A 42 2.766 14.810 -4.906 1.00 2.01 C ATOM 656 C ALA A 42 3.631 13.834 -5.729 1.00 73.21 C ATOM 657 O ALA A 42 4.839 13.879 -5.630 1.00 71.55 O ATOM 658 CB ALA A 42 2.307 14.195 -3.569 1.00 35.33 C ATOM 0 H ALA A 42 0.724 14.879 -5.368 1.00 43.04 H new ATOM 0 HA ALA A 42 3.395 15.669 -4.671 1.00 2.01 H new ATOM 0 HB1 ALA A 42 3.177 13.857 -3.006 1.00 35.33 H new ATOM 0 HB2 ALA A 42 1.769 14.945 -2.989 1.00 35.33 H new ATOM 0 HB3 ALA A 42 1.650 13.348 -3.765 1.00 35.33 H new ATOM 664 N ILE A 43 3.001 12.994 -6.589 1.00 71.51 N ATOM 665 CA ILE A 43 3.724 12.127 -7.554 1.00 2.30 C ATOM 666 C ILE A 43 4.532 13.018 -8.543 1.00 4.23 C ATOM 667 O ILE A 43 5.657 12.682 -8.923 1.00 55.02 O ATOM 668 CB ILE A 43 2.731 11.136 -8.331 1.00 62.00 C ATOM 669 CG1 ILE A 43 2.450 9.815 -7.528 1.00 23.43 C ATOM 670 CG2 ILE A 43 3.222 10.771 -9.756 1.00 73.33 C ATOM 671 CD1 ILE A 43 1.585 9.934 -6.303 1.00 61.11 C ATOM 0 H ILE A 43 1.986 12.899 -6.633 1.00 71.51 H new ATOM 0 HA ILE A 43 4.416 11.493 -7.000 1.00 2.30 H new ATOM 0 HB ILE A 43 1.802 11.698 -8.425 1.00 62.00 H new ATOM 0 HG12 ILE A 43 1.983 9.099 -8.205 1.00 23.43 H new ATOM 0 HG13 ILE A 43 3.408 9.391 -7.227 1.00 23.43 H new ATOM 0 HG21 ILE A 43 2.505 10.098 -10.227 1.00 73.33 H new ATOM 0 HG22 ILE A 43 3.314 11.678 -10.353 1.00 73.33 H new ATOM 0 HG23 ILE A 43 4.193 10.279 -9.692 1.00 73.33 H new ATOM 0 HD11 ILE A 43 1.469 8.953 -5.842 1.00 61.11 H new ATOM 0 HD12 ILE A 43 2.052 10.616 -5.592 1.00 61.11 H new ATOM 0 HD13 ILE A 43 0.605 10.320 -6.585 1.00 61.11 H new ATOM 683 N LYS A 44 3.948 14.178 -8.912 1.00 50.43 N ATOM 684 CA LYS A 44 4.579 15.140 -9.843 1.00 20.23 C ATOM 685 C LYS A 44 5.819 15.809 -9.212 1.00 50.25 C ATOM 686 O LYS A 44 6.732 16.224 -9.933 1.00 11.32 O ATOM 687 CB LYS A 44 3.552 16.217 -10.300 1.00 25.54 C ATOM 688 CG LYS A 44 2.311 15.640 -11.017 1.00 51.22 C ATOM 689 CD LYS A 44 2.674 14.786 -12.257 1.00 3.02 C ATOM 690 CE LYS A 44 1.447 14.134 -12.914 1.00 44.33 C ATOM 691 NZ LYS A 44 1.828 13.317 -14.096 1.00 25.53 N ATOM 0 H LYS A 44 3.031 14.473 -8.576 1.00 50.43 H new ATOM 0 HA LYS A 44 4.912 14.581 -10.718 1.00 20.23 H new ATOM 0 HB2 LYS A 44 3.224 16.784 -9.429 1.00 25.54 H new ATOM 0 HB3 LYS A 44 4.051 16.919 -10.968 1.00 25.54 H new ATOM 0 HG2 LYS A 44 1.743 15.029 -10.315 1.00 51.22 H new ATOM 0 HG3 LYS A 44 1.661 16.460 -11.324 1.00 51.22 H new ATOM 0 HD2 LYS A 44 3.181 15.415 -12.989 1.00 3.02 H new ATOM 0 HD3 LYS A 44 3.379 14.008 -11.963 1.00 3.02 H new ATOM 0 HE2 LYS A 44 0.935 13.505 -12.186 1.00 44.33 H new ATOM 0 HE3 LYS A 44 0.742 14.908 -13.218 1.00 44.33 H new ATOM 0 HZ1 LYS A 44 0.976 12.892 -14.514 1.00 25.53 H new ATOM 0 HZ2 LYS A 44 2.294 13.923 -14.801 1.00 25.53 H new ATOM 0 HZ3 LYS A 44 2.481 12.563 -13.801 1.00 25.53 H new ATOM 705 N ARG A 45 5.839 15.899 -7.869 1.00 50.41 N ATOM 706 CA ARG A 45 6.957 16.496 -7.109 1.00 33.52 C ATOM 707 C ARG A 45 7.999 15.421 -6.732 1.00 73.14 C ATOM 708 O ARG A 45 9.205 15.692 -6.694 1.00 24.51 O ATOM 709 CB ARG A 45 6.425 17.159 -5.814 1.00 51.25 C ATOM 710 CG ARG A 45 5.380 18.275 -6.010 1.00 23.10 C ATOM 711 CD ARG A 45 5.950 19.568 -6.606 1.00 73.33 C ATOM 712 NE ARG A 45 4.907 20.609 -6.680 1.00 64.31 N ATOM 713 CZ ARG A 45 4.513 21.265 -7.779 1.00 12.24 C ATOM 714 NH1 ARG A 45 5.054 21.007 -8.970 1.00 64.41 N ATOM 715 NH2 ARG A 45 3.554 22.172 -7.676 1.00 44.31 N ATOM 0 H ARG A 45 5.080 15.560 -7.278 1.00 50.41 H new ATOM 0 HA ARG A 45 7.432 17.247 -7.741 1.00 33.52 H new ATOM 0 HB2 ARG A 45 5.987 16.384 -5.185 1.00 51.25 H new ATOM 0 HB3 ARG A 45 7.272 17.573 -5.266 1.00 51.25 H new ATOM 0 HG2 ARG A 45 4.588 17.906 -6.661 1.00 23.10 H new ATOM 0 HG3 ARG A 45 4.922 18.502 -5.047 1.00 23.10 H new ATOM 0 HD2 ARG A 45 6.781 19.921 -5.995 1.00 73.33 H new ATOM 0 HD3 ARG A 45 6.347 19.372 -7.602 1.00 73.33 H new ATOM 0 HE ARG A 45 4.439 20.853 -5.807 1.00 64.31 H new ATOM 0 HH11 ARG A 45 5.783 20.298 -9.057 1.00 64.41 H new ATOM 0 HH12 ARG A 45 4.739 21.518 -9.795 1.00 64.41 H new ATOM 0 HH21 ARG A 45 3.127 22.362 -6.769 1.00 44.31 H new ATOM 0 HH22 ARG A 45 3.242 22.681 -8.503 1.00 44.31 H new ATOM 729 N ASN A 46 7.505 14.205 -6.457 1.00 43.20 N ATOM 730 CA ASN A 46 8.310 13.099 -5.901 1.00 51.15 C ATOM 731 C ASN A 46 7.774 11.721 -6.398 1.00 45.24 C ATOM 732 O ASN A 46 7.022 11.033 -5.694 1.00 33.33 O ATOM 733 CB ASN A 46 8.367 13.201 -4.338 1.00 13.42 C ATOM 734 CG ASN A 46 7.022 13.485 -3.663 1.00 62.10 C ATOM 735 OD1 ASN A 46 6.657 14.633 -3.438 1.00 1.33 O ATOM 736 ND2 ASN A 46 6.255 12.456 -3.383 1.00 73.21 N ATOM 0 H ASN A 46 6.528 13.956 -6.614 1.00 43.20 H new ATOM 0 HA ASN A 46 9.334 13.182 -6.264 1.00 51.15 H new ATOM 0 HB2 ASN A 46 8.767 12.268 -3.941 1.00 13.42 H new ATOM 0 HB3 ASN A 46 9.068 13.989 -4.065 1.00 13.42 H new ATOM 0 HD21 ASN A 46 5.334 12.604 -2.969 1.00 73.21 H new ATOM 0 HD22 ASN A 46 6.580 11.509 -3.579 1.00 73.21 H new ATOM 743 N PRO A 47 8.144 11.314 -7.658 1.00 31.15 N ATOM 744 CA PRO A 47 7.703 10.022 -8.264 1.00 30.24 C ATOM 745 C PRO A 47 8.488 8.789 -7.745 1.00 35.24 C ATOM 746 O PRO A 47 8.045 7.648 -7.942 1.00 30.45 O ATOM 747 CB PRO A 47 7.962 10.263 -9.775 1.00 11.53 C ATOM 748 CG PRO A 47 9.163 11.166 -9.800 1.00 25.23 C ATOM 749 CD PRO A 47 8.988 12.099 -8.616 1.00 32.21 C ATOM 0 HA PRO A 47 6.669 9.781 -8.015 1.00 30.24 H new ATOM 0 HB2 PRO A 47 8.155 9.328 -10.301 1.00 11.53 H new ATOM 0 HB3 PRO A 47 7.103 10.729 -10.258 1.00 11.53 H new ATOM 0 HG2 PRO A 47 10.087 10.594 -9.717 1.00 25.23 H new ATOM 0 HG3 PRO A 47 9.217 11.723 -10.735 1.00 25.23 H new ATOM 0 HD2 PRO A 47 9.948 12.368 -8.175 1.00 32.21 H new ATOM 0 HD3 PRO A 47 8.500 13.029 -8.909 1.00 32.21 H new ATOM 757 N LYS A 48 9.649 9.032 -7.092 1.00 43.43 N ATOM 758 CA LYS A 48 10.510 7.951 -6.558 1.00 21.41 C ATOM 759 C LYS A 48 9.823 7.320 -5.328 1.00 0.32 C ATOM 760 O LYS A 48 9.915 6.102 -5.105 1.00 3.23 O ATOM 761 CB LYS A 48 11.942 8.454 -6.168 1.00 71.25 C ATOM 762 CG LYS A 48 12.787 9.111 -7.298 1.00 60.10 C ATOM 763 CD LYS A 48 12.394 10.574 -7.603 1.00 54.14 C ATOM 764 CE LYS A 48 13.342 11.259 -8.596 1.00 55.20 C ATOM 765 NZ LYS A 48 13.424 10.536 -9.897 1.00 53.24 N ATOM 0 H LYS A 48 10.011 9.970 -6.922 1.00 43.43 H new ATOM 0 HA LYS A 48 10.640 7.211 -7.348 1.00 21.41 H new ATOM 0 HB2 LYS A 48 11.840 9.175 -5.357 1.00 71.25 H new ATOM 0 HB3 LYS A 48 12.503 7.608 -5.772 1.00 71.25 H new ATOM 0 HG2 LYS A 48 13.840 9.079 -7.017 1.00 60.10 H new ATOM 0 HG3 LYS A 48 12.682 8.520 -8.208 1.00 60.10 H new ATOM 0 HD2 LYS A 48 11.381 10.595 -8.004 1.00 54.14 H new ATOM 0 HD3 LYS A 48 12.381 11.142 -6.673 1.00 54.14 H new ATOM 0 HE2 LYS A 48 13.003 12.280 -8.772 1.00 55.20 H new ATOM 0 HE3 LYS A 48 14.338 11.325 -8.157 1.00 55.20 H new ATOM 0 HZ1 LYS A 48 14.050 11.056 -10.544 1.00 53.24 H new ATOM 0 HZ2 LYS A 48 13.805 9.581 -9.740 1.00 53.24 H new ATOM 0 HZ3 LYS A 48 12.475 10.466 -10.315 1.00 53.24 H new ATOM 779 N ASP A 49 9.138 8.186 -4.549 1.00 30.50 N ATOM 780 CA ASP A 49 8.367 7.791 -3.358 1.00 52.25 C ATOM 781 C ASP A 49 7.205 6.860 -3.732 1.00 51.23 C ATOM 782 O ASP A 49 6.139 7.324 -4.158 1.00 32.11 O ATOM 783 CB ASP A 49 7.808 9.041 -2.619 1.00 4.33 C ATOM 784 CG ASP A 49 8.846 9.805 -1.795 1.00 11.53 C ATOM 785 OD1 ASP A 49 9.055 9.463 -0.612 1.00 1.43 O ATOM 786 OD2 ASP A 49 9.435 10.775 -2.298 1.00 52.51 O ATOM 0 H ASP A 49 9.107 9.188 -4.735 1.00 30.50 H new ATOM 0 HA ASP A 49 9.048 7.257 -2.695 1.00 52.25 H new ATOM 0 HB2 ASP A 49 7.375 9.719 -3.354 1.00 4.33 H new ATOM 0 HB3 ASP A 49 6.999 8.727 -1.960 1.00 4.33 H new ATOM 791 N ALA A 50 7.433 5.543 -3.581 1.00 54.33 N ATOM 792 CA ALA A 50 6.379 4.524 -3.723 1.00 44.34 C ATOM 793 C ALA A 50 5.416 4.565 -2.531 1.00 34.54 C ATOM 794 O ALA A 50 4.300 4.044 -2.608 1.00 62.42 O ATOM 795 CB ALA A 50 6.983 3.131 -3.893 1.00 51.51 C ATOM 0 H ALA A 50 8.350 5.157 -3.358 1.00 54.33 H new ATOM 0 HA ALA A 50 5.809 4.752 -4.624 1.00 44.34 H new ATOM 0 HB1 ALA A 50 6.183 2.398 -3.996 1.00 51.51 H new ATOM 0 HB2 ALA A 50 7.609 3.112 -4.785 1.00 51.51 H new ATOM 0 HB3 ALA A 50 7.588 2.888 -3.020 1.00 51.51 H new ATOM 801 N LYS A 51 5.871 5.192 -1.421 1.00 14.33 N ATOM 802 CA LYS A 51 5.049 5.420 -0.230 1.00 50.40 C ATOM 803 C LYS A 51 3.853 6.367 -0.517 1.00 13.33 C ATOM 804 O LYS A 51 2.917 6.413 0.270 1.00 74.32 O ATOM 805 CB LYS A 51 5.936 5.877 0.975 1.00 31.42 C ATOM 806 CG LYS A 51 6.720 7.217 0.845 1.00 41.35 C ATOM 807 CD LYS A 51 5.914 8.510 1.182 1.00 61.13 C ATOM 808 CE LYS A 51 5.476 8.654 2.660 1.00 71.15 C ATOM 809 NZ LYS A 51 4.427 7.675 3.068 1.00 62.41 N ATOM 0 H LYS A 51 6.822 5.551 -1.335 1.00 14.33 H new ATOM 0 HA LYS A 51 4.595 4.472 0.059 1.00 50.40 H new ATOM 0 HB2 LYS A 51 5.293 5.951 1.852 1.00 31.42 H new ATOM 0 HB3 LYS A 51 6.659 5.086 1.175 1.00 31.42 H new ATOM 0 HG2 LYS A 51 7.590 7.172 1.500 1.00 41.35 H new ATOM 0 HG3 LYS A 51 7.094 7.300 -0.176 1.00 41.35 H new ATOM 0 HD2 LYS A 51 6.520 9.376 0.915 1.00 61.13 H new ATOM 0 HD3 LYS A 51 5.024 8.537 0.553 1.00 61.13 H new ATOM 0 HE2 LYS A 51 6.348 8.530 3.303 1.00 71.15 H new ATOM 0 HE3 LYS A 51 5.102 9.665 2.823 1.00 71.15 H new ATOM 0 HZ1 LYS A 51 3.822 8.099 3.799 1.00 62.41 H new ATOM 0 HZ2 LYS A 51 3.847 7.423 2.242 1.00 62.41 H new ATOM 0 HZ3 LYS A 51 4.880 6.819 3.447 1.00 62.41 H new ATOM 823 N LEU A 52 3.919 7.155 -1.619 1.00 71.33 N ATOM 824 CA LEU A 52 2.752 7.931 -2.126 1.00 65.13 C ATOM 825 C LEU A 52 1.753 7.006 -2.852 1.00 61.32 C ATOM 826 O LEU A 52 0.534 7.152 -2.707 1.00 52.21 O ATOM 827 CB LEU A 52 3.203 9.082 -3.089 1.00 34.10 C ATOM 828 CG LEU A 52 3.504 10.471 -2.439 1.00 40.12 C ATOM 829 CD1 LEU A 52 2.255 11.059 -1.748 1.00 54.15 C ATOM 830 CD2 LEU A 52 4.691 10.403 -1.474 1.00 54.44 C ATOM 0 H LEU A 52 4.766 7.272 -2.175 1.00 71.33 H new ATOM 0 HA LEU A 52 2.261 8.378 -1.262 1.00 65.13 H new ATOM 0 HB2 LEU A 52 4.099 8.752 -3.615 1.00 34.10 H new ATOM 0 HB3 LEU A 52 2.425 9.220 -3.840 1.00 34.10 H new ATOM 0 HG LEU A 52 3.781 11.146 -3.248 1.00 40.12 H new ATOM 0 HD11 LEU A 52 2.503 12.025 -1.308 1.00 54.15 H new ATOM 0 HD12 LEU A 52 1.460 11.189 -2.482 1.00 54.15 H new ATOM 0 HD13 LEU A 52 1.918 10.379 -0.965 1.00 54.15 H new ATOM 0 HD21 LEU A 52 4.867 11.389 -1.044 1.00 54.44 H new ATOM 0 HD22 LEU A 52 4.471 9.693 -0.677 1.00 54.44 H new ATOM 0 HD23 LEU A 52 5.581 10.079 -2.014 1.00 54.44 H new ATOM 842 N TYR A 53 2.299 6.075 -3.656 1.00 60.32 N ATOM 843 CA TYR A 53 1.514 5.147 -4.494 1.00 61.35 C ATOM 844 C TYR A 53 0.736 4.129 -3.638 1.00 34.23 C ATOM 845 O TYR A 53 -0.413 3.817 -3.928 1.00 23.31 O ATOM 846 CB TYR A 53 2.435 4.415 -5.495 1.00 33.15 C ATOM 847 CG TYR A 53 3.069 5.333 -6.562 1.00 3.53 C ATOM 848 CD1 TYR A 53 4.244 6.042 -6.300 1.00 44.05 C ATOM 849 CD2 TYR A 53 2.503 5.475 -7.831 1.00 75.25 C ATOM 850 CE1 TYR A 53 4.829 6.849 -7.253 1.00 64.31 C ATOM 851 CE2 TYR A 53 3.086 6.280 -8.791 1.00 34.33 C ATOM 852 CZ TYR A 53 4.251 6.964 -8.497 1.00 51.44 C ATOM 853 OH TYR A 53 4.835 7.771 -9.455 1.00 42.23 O ATOM 0 H TYR A 53 3.307 5.944 -3.744 1.00 60.32 H new ATOM 0 HA TYR A 53 0.786 5.738 -5.049 1.00 61.35 H new ATOM 0 HB2 TYR A 53 3.231 3.917 -4.941 1.00 33.15 H new ATOM 0 HB3 TYR A 53 1.861 3.636 -5.997 1.00 33.15 H new ATOM 0 HD1 TYR A 53 4.705 5.956 -5.327 1.00 44.05 H new ATOM 0 HD2 TYR A 53 1.592 4.945 -8.067 1.00 75.25 H new ATOM 0 HE1 TYR A 53 5.736 7.388 -7.024 1.00 64.31 H new ATOM 0 HE2 TYR A 53 2.633 6.374 -9.767 1.00 34.33 H new ATOM 0 HH TYR A 53 4.302 7.741 -10.277 1.00 42.23 H new ATOM 863 N SER A 54 1.367 3.636 -2.573 1.00 30.24 N ATOM 864 CA SER A 54 0.745 2.673 -1.646 1.00 63.35 C ATOM 865 C SER A 54 -0.316 3.361 -0.745 1.00 21.42 C ATOM 866 O SER A 54 -1.269 2.714 -0.292 1.00 53.14 O ATOM 867 CB SER A 54 1.856 2.008 -0.820 1.00 22.43 C ATOM 868 OG SER A 54 2.751 2.986 -0.322 1.00 61.55 O ATOM 0 H SER A 54 2.323 3.888 -2.323 1.00 30.24 H new ATOM 0 HA SER A 54 0.212 1.908 -2.210 1.00 63.35 H new ATOM 0 HB2 SER A 54 1.419 1.450 0.008 1.00 22.43 H new ATOM 0 HB3 SER A 54 2.397 1.291 -1.437 1.00 22.43 H new ATOM 0 HG SER A 54 3.304 2.593 0.385 1.00 61.55 H new ATOM 874 N ASN A 55 -0.133 4.676 -0.507 1.00 55.13 N ATOM 875 CA ASN A 55 -1.118 5.525 0.196 1.00 22.31 C ATOM 876 C ASN A 55 -2.365 5.763 -0.683 1.00 62.12 C ATOM 877 O ASN A 55 -3.499 5.715 -0.184 1.00 44.33 O ATOM 878 CB ASN A 55 -0.483 6.889 0.613 1.00 43.13 C ATOM 879 CG ASN A 55 0.354 6.841 1.896 1.00 14.42 C ATOM 880 OD1 ASN A 55 0.935 5.814 2.252 1.00 40.12 O ATOM 881 ND2 ASN A 55 0.428 7.971 2.597 1.00 42.14 N ATOM 0 H ASN A 55 0.704 5.181 -0.798 1.00 55.13 H new ATOM 0 HA ASN A 55 -1.426 4.998 1.099 1.00 22.31 H new ATOM 0 HB2 ASN A 55 0.147 7.245 -0.202 1.00 43.13 H new ATOM 0 HB3 ASN A 55 -1.280 7.621 0.743 1.00 43.13 H new ATOM 0 HD21 ASN A 55 0.978 8.003 3.456 1.00 42.14 H new ATOM 0 HD22 ASN A 55 -0.065 8.804 2.275 1.00 42.14 H new ATOM 888 N ARG A 56 -2.157 6.026 -1.994 1.00 62.33 N ATOM 889 CA ARG A 56 -3.275 6.228 -2.940 1.00 64.41 C ATOM 890 C ARG A 56 -3.916 4.871 -3.303 1.00 42.33 C ATOM 891 O ARG A 56 -5.062 4.832 -3.738 1.00 54.14 O ATOM 892 CB ARG A 56 -2.833 7.004 -4.221 1.00 34.33 C ATOM 893 CG ARG A 56 -2.025 6.175 -5.241 1.00 61.22 C ATOM 894 CD ARG A 56 -1.658 6.935 -6.528 1.00 44.15 C ATOM 895 NE ARG A 56 -1.006 6.025 -7.492 1.00 60.11 N ATOM 896 CZ ARG A 56 -1.127 6.068 -8.826 1.00 65.02 C ATOM 897 NH1 ARG A 56 -1.895 6.975 -9.424 1.00 11.31 N ATOM 898 NH2 ARG A 56 -0.488 5.170 -9.556 1.00 54.33 N ATOM 0 H ARG A 56 -1.232 6.103 -2.417 1.00 62.33 H new ATOM 0 HA ARG A 56 -4.021 6.848 -2.443 1.00 64.41 H new ATOM 0 HB2 ARG A 56 -3.722 7.394 -4.716 1.00 34.33 H new ATOM 0 HB3 ARG A 56 -2.234 7.863 -3.918 1.00 34.33 H new ATOM 0 HG2 ARG A 56 -1.108 5.828 -4.764 1.00 61.22 H new ATOM 0 HG3 ARG A 56 -2.601 5.289 -5.508 1.00 61.22 H new ATOM 0 HD2 ARG A 56 -2.555 7.365 -6.973 1.00 44.15 H new ATOM 0 HD3 ARG A 56 -0.991 7.764 -6.291 1.00 44.15 H new ATOM 0 HE ARG A 56 -0.407 5.295 -7.106 1.00 60.11 H new ATOM 0 HH11 ARG A 56 -2.407 7.657 -8.865 1.00 11.31 H new ATOM 0 HH12 ARG A 56 -1.971 6.988 -10.441 1.00 11.31 H new ATOM 0 HH21 ARG A 56 0.086 4.459 -9.103 1.00 54.33 H new ATOM 0 HH22 ARG A 56 -0.569 5.188 -10.573 1.00 54.33 H new ATOM 912 N ALA A 57 -3.158 3.769 -3.117 1.00 51.14 N ATOM 913 CA ALA A 57 -3.670 2.396 -3.286 1.00 31.33 C ATOM 914 C ALA A 57 -4.595 2.030 -2.116 1.00 22.14 C ATOM 915 O ALA A 57 -5.595 1.335 -2.303 1.00 43.21 O ATOM 916 CB ALA A 57 -2.511 1.394 -3.410 1.00 41.00 C ATOM 0 H ALA A 57 -2.175 3.808 -2.846 1.00 51.14 H new ATOM 0 HA ALA A 57 -4.248 2.349 -4.209 1.00 31.33 H new ATOM 0 HB1 ALA A 57 -2.912 0.388 -3.534 1.00 41.00 H new ATOM 0 HB2 ALA A 57 -1.900 1.650 -4.275 1.00 41.00 H new ATOM 0 HB3 ALA A 57 -1.899 1.432 -2.509 1.00 41.00 H new ATOM 922 N ALA A 58 -4.248 2.537 -0.913 1.00 34.11 N ATOM 923 CA ALA A 58 -5.096 2.430 0.291 1.00 64.31 C ATOM 924 C ALA A 58 -6.368 3.300 0.153 1.00 2.44 C ATOM 925 O ALA A 58 -7.334 3.118 0.899 1.00 62.34 O ATOM 926 CB ALA A 58 -4.288 2.829 1.537 1.00 14.31 C ATOM 0 H ALA A 58 -3.371 3.032 -0.751 1.00 34.11 H new ATOM 0 HA ALA A 58 -5.418 1.394 0.400 1.00 64.31 H new ATOM 0 HB1 ALA A 58 -4.920 2.748 2.422 1.00 14.31 H new ATOM 0 HB2 ALA A 58 -3.430 2.165 1.642 1.00 14.31 H new ATOM 0 HB3 ALA A 58 -3.941 3.857 1.432 1.00 14.31 H new ATOM 932 N CYS A 59 -6.326 4.274 -0.776 1.00 73.14 N ATOM 933 CA CYS A 59 -7.506 5.042 -1.195 1.00 64.20 C ATOM 934 C CYS A 59 -8.320 4.235 -2.233 1.00 12.32 C ATOM 935 O CYS A 59 -9.545 4.135 -2.117 1.00 32.24 O ATOM 936 CB CYS A 59 -7.085 6.412 -1.770 1.00 12.11 C ATOM 937 SG CYS A 59 -8.463 7.444 -2.305 1.00 14.52 S ATOM 0 H CYS A 59 -5.469 4.548 -1.256 1.00 73.14 H new ATOM 0 HA CYS A 59 -8.137 5.223 -0.325 1.00 64.20 H new ATOM 0 HB2 CYS A 59 -6.514 6.951 -1.014 1.00 12.11 H new ATOM 0 HB3 CYS A 59 -6.418 6.249 -2.616 1.00 12.11 H new ATOM 0 HG CYS A 59 -8.315 8.645 -1.830 1.00 14.52 H new ATOM 943 N TYR A 60 -7.614 3.619 -3.220 1.00 54.55 N ATOM 944 CA TYR A 60 -8.241 2.831 -4.311 1.00 12.15 C ATOM 945 C TYR A 60 -9.080 1.663 -3.766 1.00 44.24 C ATOM 946 O TYR A 60 -10.115 1.341 -4.329 1.00 61.40 O ATOM 947 CB TYR A 60 -7.179 2.302 -5.328 1.00 62.42 C ATOM 948 CG TYR A 60 -6.607 3.370 -6.276 1.00 72.22 C ATOM 949 CD1 TYR A 60 -7.458 4.262 -6.936 1.00 50.51 C ATOM 950 CD2 TYR A 60 -5.230 3.484 -6.527 1.00 1.33 C ATOM 951 CE1 TYR A 60 -6.962 5.223 -7.793 1.00 71.03 C ATOM 952 CE2 TYR A 60 -4.733 4.448 -7.386 1.00 23.32 C ATOM 953 CZ TYR A 60 -5.602 5.316 -8.016 1.00 1.34 C ATOM 954 OH TYR A 60 -5.113 6.296 -8.856 1.00 14.31 O ATOM 0 H TYR A 60 -6.596 3.656 -3.279 1.00 54.55 H new ATOM 0 HA TYR A 60 -8.909 3.512 -4.838 1.00 12.15 H new ATOM 0 HB2 TYR A 60 -6.357 1.852 -4.772 1.00 62.42 H new ATOM 0 HB3 TYR A 60 -7.631 1.510 -5.925 1.00 62.42 H new ATOM 0 HD1 TYR A 60 -8.524 4.198 -6.772 1.00 50.51 H new ATOM 0 HD2 TYR A 60 -4.545 2.806 -6.040 1.00 1.33 H new ATOM 0 HE1 TYR A 60 -7.638 5.903 -8.290 1.00 71.03 H new ATOM 0 HE2 TYR A 60 -3.670 4.521 -7.563 1.00 23.32 H new ATOM 0 HH TYR A 60 -5.641 7.114 -8.747 1.00 14.31 H new ATOM 964 N THR A 61 -8.639 1.058 -2.651 1.00 64.13 N ATOM 965 CA THR A 61 -9.406 0.001 -1.967 1.00 73.34 C ATOM 966 C THR A 61 -10.786 0.540 -1.505 1.00 21.32 C ATOM 967 O THR A 61 -11.817 -0.129 -1.680 1.00 54.12 O ATOM 968 CB THR A 61 -8.614 -0.559 -0.743 1.00 2.10 C ATOM 969 OG1 THR A 61 -8.267 0.517 0.139 1.00 54.31 O ATOM 970 CG2 THR A 61 -7.335 -1.302 -1.175 1.00 61.31 C ATOM 0 H THR A 61 -7.751 1.283 -2.202 1.00 64.13 H new ATOM 0 HA THR A 61 -9.565 -0.811 -2.677 1.00 73.34 H new ATOM 0 HB THR A 61 -9.258 -1.274 -0.231 1.00 2.10 H new ATOM 0 HG1 THR A 61 -7.772 0.164 0.907 1.00 54.31 H new ATOM 0 HG21 THR A 61 -6.815 -1.675 -0.292 1.00 61.31 H new ATOM 0 HG22 THR A 61 -7.601 -2.139 -1.820 1.00 61.31 H new ATOM 0 HG23 THR A 61 -6.683 -0.618 -1.718 1.00 61.31 H new ATOM 978 N LYS A 62 -10.794 1.801 -1.008 1.00 5.55 N ATOM 979 CA LYS A 62 -12.008 2.467 -0.477 1.00 45.54 C ATOM 980 C LYS A 62 -12.997 2.751 -1.612 1.00 12.01 C ATOM 981 O LYS A 62 -14.215 2.670 -1.433 1.00 33.34 O ATOM 982 CB LYS A 62 -11.638 3.795 0.233 1.00 32.00 C ATOM 983 CG LYS A 62 -10.580 3.659 1.347 1.00 22.45 C ATOM 984 CD LYS A 62 -11.044 2.757 2.511 1.00 12.24 C ATOM 985 CE LYS A 62 -10.017 2.693 3.649 1.00 31.03 C ATOM 986 NZ LYS A 62 -10.488 1.818 4.749 1.00 53.42 N ATOM 0 H LYS A 62 -9.959 2.385 -0.964 1.00 5.55 H new ATOM 0 HA LYS A 62 -12.473 1.798 0.247 1.00 45.54 H new ATOM 0 HB2 LYS A 62 -11.271 4.500 -0.513 1.00 32.00 H new ATOM 0 HB3 LYS A 62 -12.543 4.226 0.661 1.00 32.00 H new ATOM 0 HG2 LYS A 62 -9.663 3.251 0.922 1.00 22.45 H new ATOM 0 HG3 LYS A 62 -10.339 4.649 1.735 1.00 22.45 H new ATOM 0 HD2 LYS A 62 -11.991 3.131 2.901 1.00 12.24 H new ATOM 0 HD3 LYS A 62 -11.229 1.751 2.135 1.00 12.24 H new ATOM 0 HE2 LYS A 62 -9.068 2.319 3.265 1.00 31.03 H new ATOM 0 HE3 LYS A 62 -9.833 3.696 4.033 1.00 31.03 H new ATOM 0 HZ1 LYS A 62 -9.773 1.794 5.504 1.00 53.42 H new ATOM 0 HZ2 LYS A 62 -11.382 2.190 5.130 1.00 53.42 H new ATOM 0 HZ3 LYS A 62 -10.640 0.855 4.386 1.00 53.42 H new ATOM 1000 N LEU A 63 -12.429 3.060 -2.788 1.00 53.12 N ATOM 1001 CA LEU A 63 -13.177 3.361 -4.011 1.00 1.43 C ATOM 1002 C LEU A 63 -13.617 2.058 -4.735 1.00 75.53 C ATOM 1003 O LEU A 63 -14.234 2.129 -5.805 1.00 50.25 O ATOM 1004 CB LEU A 63 -12.288 4.242 -4.948 1.00 52.50 C ATOM 1005 CG LEU A 63 -11.706 5.552 -4.310 1.00 61.24 C ATOM 1006 CD1 LEU A 63 -10.829 6.335 -5.313 1.00 72.44 C ATOM 1007 CD2 LEU A 63 -12.830 6.440 -3.737 1.00 61.52 C ATOM 0 H LEU A 63 -11.418 3.108 -2.914 1.00 53.12 H new ATOM 0 HA LEU A 63 -14.083 3.908 -3.749 1.00 1.43 H new ATOM 0 HB2 LEU A 63 -11.456 3.634 -5.304 1.00 52.50 H new ATOM 0 HB3 LEU A 63 -12.878 4.518 -5.822 1.00 52.50 H new ATOM 0 HG LEU A 63 -11.063 5.253 -3.483 1.00 61.24 H new ATOM 0 HD11 LEU A 63 -10.444 7.236 -4.834 1.00 72.44 H new ATOM 0 HD12 LEU A 63 -9.995 5.710 -5.633 1.00 72.44 H new ATOM 0 HD13 LEU A 63 -11.428 6.613 -6.180 1.00 72.44 H new ATOM 0 HD21 LEU A 63 -12.396 7.340 -3.302 1.00 61.52 H new ATOM 0 HD22 LEU A 63 -13.517 6.718 -4.536 1.00 61.52 H new ATOM 0 HD23 LEU A 63 -13.372 5.890 -2.968 1.00 61.52 H new ATOM 1019 N LEU A 64 -13.276 0.873 -4.132 1.00 75.24 N ATOM 1020 CA LEU A 64 -13.542 -0.473 -4.705 1.00 12.40 C ATOM 1021 C LEU A 64 -12.721 -0.708 -6.001 1.00 34.13 C ATOM 1022 O LEU A 64 -12.970 -1.657 -6.743 1.00 34.31 O ATOM 1023 CB LEU A 64 -15.074 -0.768 -4.919 1.00 71.24 C ATOM 1024 CG LEU A 64 -15.970 -0.979 -3.638 1.00 14.43 C ATOM 1025 CD1 LEU A 64 -15.435 -2.117 -2.744 1.00 34.33 C ATOM 1026 CD2 LEU A 64 -16.160 0.326 -2.833 1.00 44.52 C ATOM 0 H LEU A 64 -12.805 0.835 -3.228 1.00 75.24 H new ATOM 0 HA LEU A 64 -13.205 -1.194 -3.960 1.00 12.40 H new ATOM 0 HB2 LEU A 64 -15.497 0.058 -5.491 1.00 71.24 H new ATOM 0 HB3 LEU A 64 -15.160 -1.661 -5.538 1.00 71.24 H new ATOM 0 HG LEU A 64 -16.955 -1.279 -3.997 1.00 14.43 H new ATOM 0 HD11 LEU A 64 -16.081 -2.229 -1.873 1.00 34.33 H new ATOM 0 HD12 LEU A 64 -15.423 -3.049 -3.309 1.00 34.33 H new ATOM 0 HD13 LEU A 64 -14.423 -1.878 -2.417 1.00 34.33 H new ATOM 0 HD21 LEU A 64 -16.784 0.128 -1.961 1.00 44.52 H new ATOM 0 HD22 LEU A 64 -15.188 0.697 -2.507 1.00 44.52 H new ATOM 0 HD23 LEU A 64 -16.642 1.074 -3.462 1.00 44.52 H new ATOM 1038 N GLU A 65 -11.706 0.148 -6.206 1.00 52.11 N ATOM 1039 CA GLU A 65 -10.748 0.095 -7.327 1.00 64.03 C ATOM 1040 C GLU A 65 -9.513 -0.757 -6.950 1.00 34.10 C ATOM 1041 O GLU A 65 -8.367 -0.390 -7.256 1.00 12.04 O ATOM 1042 CB GLU A 65 -10.344 1.556 -7.680 1.00 13.05 C ATOM 1043 CG GLU A 65 -11.500 2.424 -8.220 1.00 62.33 C ATOM 1044 CD GLU A 65 -11.951 2.029 -9.637 1.00 73.52 C ATOM 1045 OE1 GLU A 65 -12.835 1.157 -9.784 1.00 55.02 O ATOM 1046 OE2 GLU A 65 -11.416 2.592 -10.617 1.00 55.30 O ATOM 0 H GLU A 65 -11.522 0.926 -5.572 1.00 52.11 H new ATOM 0 HA GLU A 65 -11.205 -0.379 -8.196 1.00 64.03 H new ATOM 0 HB2 GLU A 65 -9.934 2.032 -6.789 1.00 13.05 H new ATOM 0 HB3 GLU A 65 -9.547 1.530 -8.423 1.00 13.05 H new ATOM 0 HG2 GLU A 65 -12.350 2.347 -7.542 1.00 62.33 H new ATOM 0 HG3 GLU A 65 -11.189 3.469 -8.224 1.00 62.33 H new ATOM 1053 N PHE A 66 -9.772 -1.928 -6.323 1.00 61.11 N ATOM 1054 CA PHE A 66 -8.731 -2.880 -5.892 1.00 63.32 C ATOM 1055 C PHE A 66 -7.854 -3.332 -7.073 1.00 53.53 C ATOM 1056 O PHE A 66 -6.703 -3.674 -6.862 1.00 3.30 O ATOM 1057 CB PHE A 66 -9.351 -4.133 -5.232 1.00 61.52 C ATOM 1058 CG PHE A 66 -10.041 -3.926 -3.888 1.00 23.43 C ATOM 1059 CD1 PHE A 66 -11.357 -3.467 -3.814 1.00 5.24 C ATOM 1060 CD2 PHE A 66 -9.387 -4.239 -2.696 1.00 43.03 C ATOM 1061 CE1 PHE A 66 -11.985 -3.320 -2.594 1.00 53.23 C ATOM 1062 CE2 PHE A 66 -10.024 -4.097 -1.483 1.00 14.34 C ATOM 1063 CZ PHE A 66 -11.323 -3.638 -1.433 1.00 13.14 C ATOM 0 H PHE A 66 -10.718 -2.238 -6.102 1.00 61.11 H new ATOM 0 HA PHE A 66 -8.114 -2.353 -5.165 1.00 63.32 H new ATOM 0 HB2 PHE A 66 -10.076 -4.560 -5.925 1.00 61.52 H new ATOM 0 HB3 PHE A 66 -8.562 -4.874 -5.100 1.00 61.52 H new ATOM 0 HD1 PHE A 66 -11.890 -3.224 -4.722 1.00 5.24 H new ATOM 0 HD2 PHE A 66 -8.369 -4.597 -2.725 1.00 43.03 H new ATOM 0 HE1 PHE A 66 -13.000 -2.954 -2.552 1.00 53.23 H new ATOM 0 HE2 PHE A 66 -9.505 -4.346 -0.569 1.00 14.34 H new ATOM 0 HZ PHE A 66 -11.820 -3.528 -0.481 1.00 13.14 H new ATOM 1073 N GLN A 67 -8.420 -3.326 -8.305 1.00 13.31 N ATOM 1074 CA GLN A 67 -7.669 -3.650 -9.537 1.00 4.45 C ATOM 1075 C GLN A 67 -6.458 -2.709 -9.697 1.00 44.31 C ATOM 1076 O GLN A 67 -5.369 -3.148 -10.084 1.00 73.32 O ATOM 1077 CB GLN A 67 -8.581 -3.549 -10.793 1.00 25.32 C ATOM 1078 CG GLN A 67 -9.832 -4.454 -10.772 1.00 13.32 C ATOM 1079 CD GLN A 67 -9.513 -5.948 -10.619 1.00 45.34 C ATOM 1080 OE1 GLN A 67 -9.328 -6.665 -11.599 1.00 5.15 O ATOM 1081 NE2 GLN A 67 -9.457 -6.428 -9.386 1.00 62.43 N ATOM 0 H GLN A 67 -9.401 -3.098 -8.469 1.00 13.31 H new ATOM 0 HA GLN A 67 -7.314 -4.677 -9.447 1.00 4.45 H new ATOM 0 HB2 GLN A 67 -8.903 -2.514 -10.906 1.00 25.32 H new ATOM 0 HB3 GLN A 67 -7.988 -3.796 -11.674 1.00 25.32 H new ATOM 0 HG2 GLN A 67 -10.479 -4.144 -9.952 1.00 13.32 H new ATOM 0 HG3 GLN A 67 -10.393 -4.304 -11.695 1.00 13.32 H new ATOM 0 HE21 GLN A 67 -9.615 -5.810 -8.590 1.00 62.43 H new ATOM 0 HE22 GLN A 67 -9.256 -7.416 -9.232 1.00 62.43 H new ATOM 1090 N LEU A 68 -6.670 -1.417 -9.357 1.00 35.03 N ATOM 1091 CA LEU A 68 -5.628 -0.384 -9.423 1.00 12.03 C ATOM 1092 C LEU A 68 -4.679 -0.546 -8.227 1.00 73.34 C ATOM 1093 O LEU A 68 -3.463 -0.468 -8.379 1.00 53.13 O ATOM 1094 CB LEU A 68 -6.251 1.043 -9.441 1.00 31.32 C ATOM 1095 CG LEU A 68 -7.366 1.310 -10.507 1.00 4.04 C ATOM 1096 CD1 LEU A 68 -7.755 2.801 -10.533 1.00 64.11 C ATOM 1097 CD2 LEU A 68 -6.967 0.799 -11.914 1.00 34.14 C ATOM 0 H LEU A 68 -7.571 -1.068 -9.030 1.00 35.03 H new ATOM 0 HA LEU A 68 -5.067 -0.507 -10.350 1.00 12.03 H new ATOM 0 HB2 LEU A 68 -6.668 1.245 -8.454 1.00 31.32 H new ATOM 0 HB3 LEU A 68 -5.448 1.763 -9.601 1.00 31.32 H new ATOM 0 HG LEU A 68 -8.244 0.738 -10.208 1.00 4.04 H new ATOM 0 HD11 LEU A 68 -8.531 2.962 -11.281 1.00 64.11 H new ATOM 0 HD12 LEU A 68 -8.129 3.097 -9.553 1.00 64.11 H new ATOM 0 HD13 LEU A 68 -6.880 3.401 -10.783 1.00 64.11 H new ATOM 0 HD21 LEU A 68 -7.772 1.007 -12.619 1.00 34.14 H new ATOM 0 HD22 LEU A 68 -6.059 1.305 -12.241 1.00 34.14 H new ATOM 0 HD23 LEU A 68 -6.789 -0.276 -11.874 1.00 34.14 H new ATOM 1109 N ALA A 69 -5.273 -0.845 -7.048 1.00 34.53 N ATOM 1110 CA ALA A 69 -4.544 -0.992 -5.776 1.00 74.40 C ATOM 1111 C ALA A 69 -3.527 -2.151 -5.837 1.00 51.42 C ATOM 1112 O ALA A 69 -2.431 -2.030 -5.292 1.00 45.12 O ATOM 1113 CB ALA A 69 -5.534 -1.197 -4.614 1.00 34.11 C ATOM 0 H ALA A 69 -6.278 -0.991 -6.957 1.00 34.53 H new ATOM 0 HA ALA A 69 -3.984 -0.073 -5.602 1.00 74.40 H new ATOM 0 HB1 ALA A 69 -4.982 -1.304 -3.680 1.00 34.11 H new ATOM 0 HB2 ALA A 69 -6.198 -0.336 -4.546 1.00 34.11 H new ATOM 0 HB3 ALA A 69 -6.123 -2.096 -4.792 1.00 34.11 H new ATOM 1119 N LEU A 70 -3.906 -3.243 -6.546 1.00 32.32 N ATOM 1120 CA LEU A 70 -3.057 -4.432 -6.752 1.00 30.42 C ATOM 1121 C LEU A 70 -1.841 -4.068 -7.597 1.00 3.11 C ATOM 1122 O LEU A 70 -0.715 -4.113 -7.107 1.00 45.13 O ATOM 1123 CB LEU A 70 -3.847 -5.571 -7.459 1.00 44.14 C ATOM 1124 CG LEU A 70 -4.974 -6.254 -6.635 1.00 4.13 C ATOM 1125 CD1 LEU A 70 -5.843 -7.154 -7.532 1.00 52.30 C ATOM 1126 CD2 LEU A 70 -4.387 -7.061 -5.455 1.00 72.20 C ATOM 0 H LEU A 70 -4.820 -3.319 -6.993 1.00 32.32 H new ATOM 0 HA LEU A 70 -2.735 -4.784 -5.772 1.00 30.42 H new ATOM 0 HB2 LEU A 70 -4.289 -5.165 -8.369 1.00 44.14 H new ATOM 0 HB3 LEU A 70 -3.136 -6.339 -7.765 1.00 44.14 H new ATOM 0 HG LEU A 70 -5.609 -5.469 -6.224 1.00 4.13 H new ATOM 0 HD11 LEU A 70 -6.624 -7.620 -6.932 1.00 52.30 H new ATOM 0 HD12 LEU A 70 -6.300 -6.552 -8.318 1.00 52.30 H new ATOM 0 HD13 LEU A 70 -5.221 -7.928 -7.983 1.00 52.30 H new ATOM 0 HD21 LEU A 70 -5.197 -7.528 -4.895 1.00 72.20 H new ATOM 0 HD22 LEU A 70 -3.719 -7.832 -5.838 1.00 72.20 H new ATOM 0 HD23 LEU A 70 -3.831 -6.392 -4.798 1.00 72.20 H new ATOM 1138 N LYS A 71 -2.105 -3.668 -8.856 1.00 74.51 N ATOM 1139 CA LYS A 71 -1.055 -3.419 -9.859 1.00 55.45 C ATOM 1140 C LYS A 71 -0.094 -2.291 -9.426 1.00 41.55 C ATOM 1141 O LYS A 71 1.094 -2.354 -9.735 1.00 10.41 O ATOM 1142 CB LYS A 71 -1.685 -3.094 -11.239 1.00 73.21 C ATOM 1143 CG LYS A 71 -2.587 -1.833 -11.263 1.00 60.54 C ATOM 1144 CD LYS A 71 -3.025 -1.419 -12.683 1.00 63.21 C ATOM 1145 CE LYS A 71 -1.823 -1.027 -13.569 1.00 1.40 C ATOM 1146 NZ LYS A 71 -0.972 0.020 -12.930 1.00 31.22 N ATOM 0 H LYS A 71 -3.050 -3.509 -9.204 1.00 74.51 H new ATOM 0 HA LYS A 71 -0.467 -4.333 -9.944 1.00 55.45 H new ATOM 0 HB2 LYS A 71 -0.884 -2.964 -11.966 1.00 73.21 H new ATOM 0 HB3 LYS A 71 -2.275 -3.951 -11.564 1.00 73.21 H new ATOM 0 HG2 LYS A 71 -3.474 -2.018 -10.657 1.00 60.54 H new ATOM 0 HG3 LYS A 71 -2.052 -1.004 -10.800 1.00 60.54 H new ATOM 0 HD2 LYS A 71 -3.566 -2.242 -13.150 1.00 63.21 H new ATOM 0 HD3 LYS A 71 -3.717 -0.579 -12.618 1.00 63.21 H new ATOM 0 HE2 LYS A 71 -1.219 -1.911 -13.771 1.00 1.40 H new ATOM 0 HE3 LYS A 71 -2.185 -0.662 -14.530 1.00 1.40 H new ATOM 0 HZ1 LYS A 71 -0.693 0.723 -13.643 1.00 31.22 H new ATOM 0 HZ2 LYS A 71 -1.509 0.489 -12.173 1.00 31.22 H new ATOM 0 HZ3 LYS A 71 -0.121 -0.422 -12.528 1.00 31.22 H new ATOM 1160 N ASP A 72 -0.623 -1.288 -8.694 1.00 70.14 N ATOM 1161 CA ASP A 72 0.154 -0.115 -8.253 1.00 32.35 C ATOM 1162 C ASP A 72 1.130 -0.502 -7.118 1.00 30.52 C ATOM 1163 O ASP A 72 2.291 -0.083 -7.123 1.00 4.23 O ATOM 1164 CB ASP A 72 -0.810 1.027 -7.817 1.00 61.30 C ATOM 1165 CG ASP A 72 -0.138 2.394 -7.602 1.00 42.22 C ATOM 1166 OD1 ASP A 72 0.814 2.727 -8.348 1.00 54.13 O ATOM 1167 OD2 ASP A 72 -0.580 3.161 -6.726 1.00 71.30 O ATOM 0 H ASP A 72 -1.598 -1.270 -8.394 1.00 70.14 H new ATOM 0 HA ASP A 72 0.754 0.249 -9.087 1.00 32.35 H new ATOM 0 HB2 ASP A 72 -1.587 1.135 -8.573 1.00 61.30 H new ATOM 0 HB3 ASP A 72 -1.305 0.732 -6.892 1.00 61.30 H new ATOM 1172 N CYS A 73 0.660 -1.334 -6.162 1.00 22.44 N ATOM 1173 CA CYS A 73 1.509 -1.844 -5.067 1.00 53.34 C ATOM 1174 C CYS A 73 2.447 -2.977 -5.560 1.00 10.21 C ATOM 1175 O CYS A 73 3.455 -3.275 -4.905 1.00 74.51 O ATOM 1176 CB CYS A 73 0.678 -2.260 -3.825 1.00 13.15 C ATOM 1177 SG CYS A 73 -0.424 -3.673 -4.049 1.00 74.42 S ATOM 0 H CYS A 73 -0.304 -1.666 -6.128 1.00 22.44 H new ATOM 0 HA CYS A 73 2.146 -1.022 -4.741 1.00 53.34 H new ATOM 0 HB2 CYS A 73 1.366 -2.487 -3.011 1.00 13.15 H new ATOM 0 HB3 CYS A 73 0.081 -1.405 -3.509 1.00 13.15 H new ATOM 0 HG CYS A 73 -1.538 -3.274 -4.588 1.00 74.42 H new ATOM 1183 N GLU A 74 2.075 -3.652 -6.677 1.00 61.34 N ATOM 1184 CA GLU A 74 2.960 -4.620 -7.371 1.00 53.03 C ATOM 1185 C GLU A 74 4.210 -3.893 -7.913 1.00 53.43 C ATOM 1186 O GLU A 74 5.331 -4.201 -7.509 1.00 60.40 O ATOM 1187 CB GLU A 74 2.205 -5.345 -8.535 1.00 51.32 C ATOM 1188 CG GLU A 74 1.176 -6.427 -8.107 1.00 63.40 C ATOM 1189 CD GLU A 74 1.801 -7.793 -7.740 1.00 2.03 C ATOM 1190 OE1 GLU A 74 2.338 -7.941 -6.619 1.00 11.11 O ATOM 1191 OE2 GLU A 74 1.761 -8.728 -8.573 1.00 63.14 O ATOM 0 H GLU A 74 1.162 -3.542 -7.118 1.00 61.34 H new ATOM 0 HA GLU A 74 3.269 -5.378 -6.651 1.00 53.03 H new ATOM 0 HB2 GLU A 74 1.686 -4.593 -9.129 1.00 51.32 H new ATOM 0 HB3 GLU A 74 2.944 -5.812 -9.186 1.00 51.32 H new ATOM 0 HG2 GLU A 74 0.613 -6.057 -7.250 1.00 63.40 H new ATOM 0 HG3 GLU A 74 0.463 -6.574 -8.918 1.00 63.40 H new ATOM 1198 N GLU A 75 3.983 -2.894 -8.795 1.00 0.05 N ATOM 1199 CA GLU A 75 5.061 -2.123 -9.466 1.00 73.41 C ATOM 1200 C GLU A 75 5.823 -1.207 -8.475 1.00 72.32 C ATOM 1201 O GLU A 75 6.933 -0.746 -8.778 1.00 62.44 O ATOM 1202 CB GLU A 75 4.465 -1.316 -10.648 1.00 64.42 C ATOM 1203 CG GLU A 75 3.453 -0.227 -10.236 1.00 62.05 C ATOM 1204 CD GLU A 75 2.711 0.408 -11.420 1.00 55.40 C ATOM 1205 OE1 GLU A 75 1.681 -0.152 -11.867 1.00 22.44 O ATOM 1206 OE2 GLU A 75 3.149 1.467 -11.921 1.00 73.54 O ATOM 0 H GLU A 75 3.045 -2.597 -9.064 1.00 0.05 H new ATOM 0 HA GLU A 75 5.796 -2.827 -9.857 1.00 73.41 H new ATOM 0 HB2 GLU A 75 5.280 -0.846 -11.198 1.00 64.42 H new ATOM 0 HB3 GLU A 75 3.975 -2.008 -11.333 1.00 64.42 H new ATOM 0 HG2 GLU A 75 2.723 -0.662 -9.553 1.00 62.05 H new ATOM 0 HG3 GLU A 75 3.978 0.555 -9.687 1.00 62.05 H new ATOM 1213 N CYS A 76 5.195 -0.940 -7.301 1.00 1.13 N ATOM 1214 CA CYS A 76 5.817 -0.238 -6.150 1.00 31.22 C ATOM 1215 C CYS A 76 7.177 -0.845 -5.752 1.00 1.13 C ATOM 1216 O CYS A 76 8.011 -0.142 -5.198 1.00 33.42 O ATOM 1217 CB CYS A 76 4.844 -0.268 -4.945 1.00 30.14 C ATOM 1218 SG CYS A 76 5.507 0.301 -3.354 1.00 72.32 S ATOM 0 H CYS A 76 4.227 -1.211 -7.126 1.00 1.13 H new ATOM 0 HA CYS A 76 6.009 0.791 -6.453 1.00 31.22 H new ATOM 0 HB2 CYS A 76 3.977 0.344 -5.192 1.00 30.14 H new ATOM 0 HB3 CYS A 76 4.487 -1.290 -4.820 1.00 30.14 H new ATOM 0 HG CYS A 76 6.805 0.342 -3.415 1.00 72.32 H new ATOM 1224 N ILE A 77 7.392 -2.149 -6.054 1.00 21.32 N ATOM 1225 CA ILE A 77 8.669 -2.850 -5.793 1.00 45.24 C ATOM 1226 C ILE A 77 9.838 -2.167 -6.557 1.00 75.15 C ATOM 1227 O ILE A 77 10.950 -2.056 -6.031 1.00 14.55 O ATOM 1228 CB ILE A 77 8.545 -4.400 -6.166 1.00 25.21 C ATOM 1229 CG1 ILE A 77 9.700 -5.296 -5.577 1.00 21.44 C ATOM 1230 CG2 ILE A 77 8.418 -4.623 -7.695 1.00 51.10 C ATOM 1231 CD1 ILE A 77 11.037 -5.302 -6.328 1.00 4.51 C ATOM 0 H ILE A 77 6.683 -2.742 -6.485 1.00 21.32 H new ATOM 0 HA ILE A 77 8.892 -2.783 -4.728 1.00 45.24 H new ATOM 0 HB ILE A 77 7.622 -4.725 -5.686 1.00 25.21 H new ATOM 0 HG12 ILE A 77 9.889 -4.973 -4.553 1.00 21.44 H new ATOM 0 HG13 ILE A 77 9.338 -6.323 -5.525 1.00 21.44 H new ATOM 0 HG21 ILE A 77 8.336 -5.690 -7.902 1.00 51.10 H new ATOM 0 HG22 ILE A 77 7.528 -4.113 -8.064 1.00 51.10 H new ATOM 0 HG23 ILE A 77 9.300 -4.223 -8.196 1.00 51.10 H new ATOM 0 HD11 ILE A 77 11.740 -5.959 -5.815 1.00 4.51 H new ATOM 0 HD12 ILE A 77 10.881 -5.661 -7.345 1.00 4.51 H new ATOM 0 HD13 ILE A 77 11.442 -4.290 -6.359 1.00 4.51 H new ATOM 1243 N GLN A 78 9.561 -1.681 -7.790 1.00 4.24 N ATOM 1244 CA GLN A 78 10.595 -1.115 -8.683 1.00 63.43 C ATOM 1245 C GLN A 78 11.063 0.266 -8.181 1.00 64.34 C ATOM 1246 O GLN A 78 12.218 0.651 -8.386 1.00 12.13 O ATOM 1247 CB GLN A 78 10.068 -1.010 -10.145 1.00 54.04 C ATOM 1248 CG GLN A 78 9.566 -2.344 -10.750 1.00 2.34 C ATOM 1249 CD GLN A 78 10.629 -3.455 -10.803 1.00 75.41 C ATOM 1250 OE1 GLN A 78 11.832 -3.196 -10.932 1.00 72.13 O ATOM 1251 NE2 GLN A 78 10.189 -4.707 -10.727 1.00 41.35 N ATOM 0 H GLN A 78 8.622 -1.671 -8.189 1.00 4.24 H new ATOM 0 HA GLN A 78 11.450 -1.791 -8.672 1.00 63.43 H new ATOM 0 HB2 GLN A 78 9.254 -0.286 -10.172 1.00 54.04 H new ATOM 0 HB3 GLN A 78 10.865 -0.618 -10.777 1.00 54.04 H new ATOM 0 HG2 GLN A 78 8.717 -2.698 -10.166 1.00 2.34 H new ATOM 0 HG3 GLN A 78 9.202 -2.157 -11.760 1.00 2.34 H new ATOM 0 HE21 GLN A 78 9.191 -4.891 -10.621 1.00 41.35 H new ATOM 0 HE22 GLN A 78 10.849 -5.483 -10.775 1.00 41.35 H new ATOM 1260 N LEU A 79 10.148 0.995 -7.522 1.00 41.24 N ATOM 1261 CA LEU A 79 10.430 2.321 -6.953 1.00 13.24 C ATOM 1262 C LEU A 79 11.040 2.172 -5.540 1.00 24.23 C ATOM 1263 O LEU A 79 12.179 2.579 -5.305 1.00 41.31 O ATOM 1264 CB LEU A 79 9.125 3.160 -6.917 1.00 4.11 C ATOM 1265 CG LEU A 79 8.426 3.409 -8.293 1.00 34.14 C ATOM 1266 CD1 LEU A 79 7.080 4.137 -8.113 1.00 3.13 C ATOM 1267 CD2 LEU A 79 9.353 4.181 -9.264 1.00 62.35 C ATOM 0 H LEU A 79 9.190 0.680 -7.369 1.00 41.24 H new ATOM 0 HA LEU A 79 11.156 2.841 -7.578 1.00 13.24 H new ATOM 0 HB2 LEU A 79 8.415 2.661 -6.257 1.00 4.11 H new ATOM 0 HB3 LEU A 79 9.352 4.127 -6.468 1.00 4.11 H new ATOM 0 HG LEU A 79 8.219 2.435 -8.737 1.00 34.14 H new ATOM 0 HD11 LEU A 79 6.619 4.295 -9.088 1.00 3.13 H new ATOM 0 HD12 LEU A 79 6.419 3.532 -7.493 1.00 3.13 H new ATOM 0 HD13 LEU A 79 7.249 5.100 -7.631 1.00 3.13 H new ATOM 0 HD21 LEU A 79 8.838 4.338 -10.211 1.00 62.35 H new ATOM 0 HD22 LEU A 79 9.614 5.146 -8.828 1.00 62.35 H new ATOM 0 HD23 LEU A 79 10.261 3.603 -9.436 1.00 62.35 H new ATOM 1279 N GLU A 80 10.277 1.538 -4.626 1.00 13.12 N ATOM 1280 CA GLU A 80 10.655 1.372 -3.201 1.00 13.24 C ATOM 1281 C GLU A 80 10.049 0.048 -2.638 1.00 32.13 C ATOM 1282 O GLU A 80 8.857 0.005 -2.301 1.00 11.31 O ATOM 1283 CB GLU A 80 10.162 2.612 -2.399 1.00 31.52 C ATOM 1284 CG GLU A 80 10.485 2.627 -0.887 1.00 23.40 C ATOM 1285 CD GLU A 80 9.788 3.780 -0.124 1.00 44.23 C ATOM 1286 OE1 GLU A 80 9.557 4.864 -0.721 1.00 70.25 O ATOM 1287 OE2 GLU A 80 9.474 3.609 1.073 1.00 21.31 O ATOM 0 H GLU A 80 9.374 1.123 -4.854 1.00 13.12 H new ATOM 0 HA GLU A 80 11.739 1.304 -3.105 1.00 13.24 H new ATOM 0 HB2 GLU A 80 10.596 3.505 -2.850 1.00 31.52 H new ATOM 0 HB3 GLU A 80 9.081 2.688 -2.518 1.00 31.52 H new ATOM 0 HG2 GLU A 80 10.183 1.676 -0.449 1.00 23.40 H new ATOM 0 HG3 GLU A 80 11.563 2.712 -0.754 1.00 23.40 H new ATOM 1294 N PRO A 81 10.853 -1.071 -2.584 1.00 43.24 N ATOM 1295 CA PRO A 81 10.413 -2.381 -2.019 1.00 15.53 C ATOM 1296 C PRO A 81 10.665 -2.504 -0.495 1.00 23.50 C ATOM 1297 O PRO A 81 10.326 -3.515 0.114 1.00 63.41 O ATOM 1298 CB PRO A 81 11.300 -3.366 -2.809 1.00 13.10 C ATOM 1299 CG PRO A 81 12.610 -2.645 -2.944 1.00 2.14 C ATOM 1300 CD PRO A 81 12.253 -1.168 -3.107 1.00 63.11 C ATOM 0 HA PRO A 81 9.340 -2.547 -2.116 1.00 15.53 H new ATOM 0 HB2 PRO A 81 11.417 -4.311 -2.279 1.00 13.10 H new ATOM 0 HB3 PRO A 81 10.870 -3.598 -3.783 1.00 13.10 H new ATOM 0 HG2 PRO A 81 13.236 -2.802 -2.066 1.00 2.14 H new ATOM 0 HG3 PRO A 81 13.171 -3.010 -3.804 1.00 2.14 H new ATOM 0 HD2 PRO A 81 12.934 -0.529 -2.545 1.00 63.11 H new ATOM 0 HD3 PRO A 81 12.311 -0.856 -4.150 1.00 63.11 H new ATOM 1308 N THR A 82 11.279 -1.473 0.100 1.00 35.24 N ATOM 1309 CA THR A 82 11.600 -1.450 1.539 1.00 50.33 C ATOM 1310 C THR A 82 10.390 -0.999 2.380 1.00 2.21 C ATOM 1311 O THR A 82 10.425 -1.087 3.614 1.00 34.44 O ATOM 1312 CB THR A 82 12.818 -0.511 1.805 1.00 64.20 C ATOM 1313 OG1 THR A 82 12.565 0.789 1.238 1.00 13.30 O ATOM 1314 CG2 THR A 82 14.120 -1.087 1.216 1.00 4.51 C ATOM 0 H THR A 82 11.568 -0.631 -0.399 1.00 35.24 H new ATOM 0 HA THR A 82 11.857 -2.466 1.839 1.00 50.33 H new ATOM 0 HB THR A 82 12.945 -0.428 2.884 1.00 64.20 H new ATOM 0 HG1 THR A 82 13.331 1.375 1.409 1.00 13.30 H new ATOM 0 HG21 THR A 82 14.945 -0.405 1.421 1.00 4.51 H new ATOM 0 HG22 THR A 82 14.328 -2.056 1.671 1.00 4.51 H new ATOM 0 HG23 THR A 82 14.009 -1.208 0.138 1.00 4.51 H new ATOM 1322 N PHE A 83 9.336 -0.511 1.697 1.00 34.43 N ATOM 1323 CA PHE A 83 8.118 -0.022 2.344 1.00 73.42 C ATOM 1324 C PHE A 83 7.269 -1.217 2.844 1.00 14.40 C ATOM 1325 O PHE A 83 6.588 -1.885 2.060 1.00 73.30 O ATOM 1326 CB PHE A 83 7.329 0.888 1.358 1.00 3.43 C ATOM 1327 CG PHE A 83 6.245 1.731 2.035 1.00 70.32 C ATOM 1328 CD1 PHE A 83 6.592 2.675 3.000 1.00 55.33 C ATOM 1329 CD2 PHE A 83 4.894 1.578 1.732 1.00 12.21 C ATOM 1330 CE1 PHE A 83 5.631 3.436 3.638 1.00 61.20 C ATOM 1331 CE2 PHE A 83 3.936 2.341 2.376 1.00 1.22 C ATOM 1332 CZ PHE A 83 4.305 3.268 3.326 1.00 75.34 C ATOM 0 H PHE A 83 9.312 -0.448 0.679 1.00 34.43 H new ATOM 0 HA PHE A 83 8.376 0.581 3.215 1.00 73.42 H new ATOM 0 HB2 PHE A 83 8.029 1.551 0.850 1.00 3.43 H new ATOM 0 HB3 PHE A 83 6.867 0.265 0.592 1.00 3.43 H new ATOM 0 HD1 PHE A 83 7.632 2.814 3.254 1.00 55.33 H new ATOM 0 HD2 PHE A 83 4.591 0.857 0.987 1.00 12.21 H new ATOM 0 HE1 PHE A 83 5.923 4.163 4.382 1.00 61.20 H new ATOM 0 HE2 PHE A 83 2.892 2.209 2.132 1.00 1.22 H new ATOM 0 HZ PHE A 83 3.552 3.861 3.824 1.00 75.34 H new ATOM 1342 N ILE A 84 7.357 -1.469 4.164 1.00 64.30 N ATOM 1343 CA ILE A 84 6.682 -2.576 4.874 1.00 42.20 C ATOM 1344 C ILE A 84 5.147 -2.535 4.706 1.00 25.13 C ATOM 1345 O ILE A 84 4.514 -3.577 4.486 1.00 45.42 O ATOM 1346 CB ILE A 84 7.113 -2.544 6.409 1.00 62.11 C ATOM 1347 CG1 ILE A 84 8.512 -3.240 6.581 1.00 12.04 C ATOM 1348 CG2 ILE A 84 6.037 -3.118 7.371 1.00 11.12 C ATOM 1349 CD1 ILE A 84 9.065 -3.273 7.996 1.00 32.34 C ATOM 0 H ILE A 84 7.918 -0.889 4.788 1.00 64.30 H new ATOM 0 HA ILE A 84 6.999 -3.520 4.431 1.00 42.20 H new ATOM 0 HB ILE A 84 7.205 -1.498 6.703 1.00 62.11 H new ATOM 0 HG12 ILE A 84 8.434 -4.265 6.218 1.00 12.04 H new ATOM 0 HG13 ILE A 84 9.232 -2.729 5.942 1.00 12.04 H new ATOM 0 HG21 ILE A 84 6.400 -3.064 8.397 1.00 11.12 H new ATOM 0 HG22 ILE A 84 5.120 -2.536 7.279 1.00 11.12 H new ATOM 0 HG23 ILE A 84 5.835 -4.157 7.112 1.00 11.12 H new ATOM 0 HD11 ILE A 84 10.032 -3.775 7.997 1.00 32.34 H new ATOM 0 HD12 ILE A 84 9.185 -2.254 8.364 1.00 32.34 H new ATOM 0 HD13 ILE A 84 8.375 -3.813 8.644 1.00 32.34 H new ATOM 1361 N LYS A 85 4.565 -1.323 4.785 1.00 63.35 N ATOM 1362 CA LYS A 85 3.103 -1.133 4.714 1.00 30.40 C ATOM 1363 C LYS A 85 2.564 -1.475 3.305 1.00 31.24 C ATOM 1364 O LYS A 85 1.380 -1.776 3.156 1.00 52.24 O ATOM 1365 CB LYS A 85 2.723 0.320 5.103 1.00 64.21 C ATOM 1366 CG LYS A 85 3.333 0.825 6.434 1.00 14.24 C ATOM 1367 CD LYS A 85 2.887 0.033 7.683 1.00 14.34 C ATOM 1368 CE LYS A 85 1.365 0.075 7.893 1.00 52.11 C ATOM 1369 NZ LYS A 85 0.971 -0.412 9.232 1.00 11.34 N ATOM 0 H LYS A 85 5.089 -0.455 4.899 1.00 63.35 H new ATOM 0 HA LYS A 85 2.641 -1.816 5.427 1.00 30.40 H new ATOM 0 HB2 LYS A 85 3.037 0.988 4.301 1.00 64.21 H new ATOM 0 HB3 LYS A 85 1.637 0.390 5.169 1.00 64.21 H new ATOM 0 HG2 LYS A 85 4.420 0.782 6.361 1.00 14.24 H new ATOM 0 HG3 LYS A 85 3.064 1.873 6.568 1.00 14.24 H new ATOM 0 HD2 LYS A 85 3.209 -1.004 7.586 1.00 14.34 H new ATOM 0 HD3 LYS A 85 3.384 0.440 8.564 1.00 14.34 H new ATOM 0 HE2 LYS A 85 1.010 1.097 7.761 1.00 52.11 H new ATOM 0 HE3 LYS A 85 0.878 -0.532 7.130 1.00 52.11 H new ATOM 0 HZ1 LYS A 85 -0.001 -0.106 9.441 1.00 11.34 H new ATOM 0 HZ2 LYS A 85 1.018 -1.451 9.251 1.00 11.34 H new ATOM 0 HZ3 LYS A 85 1.618 -0.023 9.947 1.00 11.34 H new ATOM 1383 N GLY A 86 3.453 -1.417 2.289 1.00 62.02 N ATOM 1384 CA GLY A 86 3.121 -1.813 0.921 1.00 54.31 C ATOM 1385 C GLY A 86 2.836 -3.312 0.805 1.00 32.45 C ATOM 1386 O GLY A 86 1.987 -3.731 0.008 1.00 75.43 O ATOM 0 H GLY A 86 4.414 -1.095 2.403 1.00 62.02 H new ATOM 0 HA2 GLY A 86 2.249 -1.252 0.584 1.00 54.31 H new ATOM 0 HA3 GLY A 86 3.945 -1.549 0.258 1.00 54.31 H new ATOM 1390 N TYR A 87 3.558 -4.113 1.618 1.00 31.13 N ATOM 1391 CA TYR A 87 3.385 -5.579 1.708 1.00 61.51 C ATOM 1392 C TYR A 87 2.136 -5.934 2.534 1.00 74.41 C ATOM 1393 O TYR A 87 1.499 -6.960 2.288 1.00 42.43 O ATOM 1394 CB TYR A 87 4.646 -6.239 2.333 1.00 62.13 C ATOM 1395 CG TYR A 87 5.882 -6.249 1.416 1.00 21.24 C ATOM 1396 CD1 TYR A 87 6.571 -5.073 1.120 1.00 60.30 C ATOM 1397 CD2 TYR A 87 6.356 -7.438 0.841 1.00 70.44 C ATOM 1398 CE1 TYR A 87 7.671 -5.076 0.287 1.00 72.33 C ATOM 1399 CE2 TYR A 87 7.461 -7.442 0.011 1.00 32.30 C ATOM 1400 CZ TYR A 87 8.114 -6.261 -0.264 1.00 55.52 C ATOM 1401 OH TYR A 87 9.207 -6.265 -1.106 1.00 52.13 O ATOM 0 H TYR A 87 4.286 -3.756 2.237 1.00 31.13 H new ATOM 0 HA TYR A 87 3.251 -5.966 0.698 1.00 61.51 H new ATOM 0 HB2 TYR A 87 4.897 -5.713 3.254 1.00 62.13 H new ATOM 0 HB3 TYR A 87 4.405 -7.266 2.608 1.00 62.13 H new ATOM 0 HD1 TYR A 87 6.237 -4.141 1.552 1.00 60.30 H new ATOM 0 HD2 TYR A 87 5.848 -8.367 1.051 1.00 70.44 H new ATOM 0 HE1 TYR A 87 8.185 -4.152 0.067 1.00 72.33 H new ATOM 0 HE2 TYR A 87 7.811 -8.368 -0.420 1.00 32.30 H new ATOM 0 HH TYR A 87 9.774 -5.490 -0.910 1.00 52.13 H new ATOM 1411 N THR A 88 1.816 -5.090 3.528 1.00 12.41 N ATOM 1412 CA THR A 88 0.627 -5.270 4.376 1.00 71.05 C ATOM 1413 C THR A 88 -0.664 -5.016 3.561 1.00 32.34 C ATOM 1414 O THR A 88 -1.638 -5.774 3.664 1.00 62.41 O ATOM 1415 CB THR A 88 0.697 -4.326 5.617 1.00 73.52 C ATOM 1416 OG1 THR A 88 1.999 -4.436 6.218 1.00 73.30 O ATOM 1417 CG2 THR A 88 -0.373 -4.676 6.669 1.00 21.24 C ATOM 0 H THR A 88 2.371 -4.268 3.766 1.00 12.41 H new ATOM 0 HA THR A 88 0.605 -6.300 4.732 1.00 71.05 H new ATOM 0 HB THR A 88 0.511 -3.308 5.275 1.00 73.52 H new ATOM 0 HG1 THR A 88 1.974 -4.061 7.123 1.00 73.30 H new ATOM 0 HG21 THR A 88 -0.288 -3.994 7.515 1.00 21.24 H new ATOM 0 HG22 THR A 88 -1.364 -4.582 6.225 1.00 21.24 H new ATOM 0 HG23 THR A 88 -0.225 -5.700 7.012 1.00 21.24 H new ATOM 1425 N ARG A 89 -0.628 -3.952 2.732 1.00 60.15 N ATOM 1426 CA ARG A 89 -1.695 -3.625 1.763 1.00 75.05 C ATOM 1427 C ARG A 89 -1.816 -4.743 0.708 1.00 61.42 C ATOM 1428 O ARG A 89 -2.927 -5.107 0.316 1.00 73.23 O ATOM 1429 CB ARG A 89 -1.428 -2.237 1.071 1.00 21.52 C ATOM 1430 CG ARG A 89 -2.111 -0.991 1.709 1.00 22.43 C ATOM 1431 CD ARG A 89 -1.665 -0.675 3.156 1.00 2.34 C ATOM 1432 NE ARG A 89 -2.284 -1.555 4.170 1.00 1.23 N ATOM 1433 CZ ARG A 89 -2.183 -1.395 5.502 1.00 11.30 C ATOM 1434 NH1 ARG A 89 -1.492 -0.392 6.023 1.00 32.11 N ATOM 1435 NH2 ARG A 89 -2.822 -2.224 6.308 1.00 72.33 N ATOM 0 H ARG A 89 0.148 -3.291 2.716 1.00 60.15 H new ATOM 0 HA ARG A 89 -2.637 -3.550 2.306 1.00 75.05 H new ATOM 0 HB2 ARG A 89 -0.352 -2.065 1.058 1.00 21.52 H new ATOM 0 HB3 ARG A 89 -1.752 -2.307 0.033 1.00 21.52 H new ATOM 0 HG2 ARG A 89 -1.907 -0.122 1.083 1.00 22.43 H new ATOM 0 HG3 ARG A 89 -3.190 -1.143 1.702 1.00 22.43 H new ATOM 0 HD2 ARG A 89 -0.581 -0.765 3.221 1.00 2.34 H new ATOM 0 HD3 ARG A 89 -1.913 0.361 3.386 1.00 2.34 H new ATOM 0 HE ARG A 89 -2.831 -2.347 3.833 1.00 1.23 H new ATOM 0 HH11 ARG A 89 -1.024 0.277 5.411 1.00 32.11 H new ATOM 0 HH12 ARG A 89 -1.428 -0.289 7.036 1.00 32.11 H new ATOM 0 HH21 ARG A 89 -3.387 -2.979 5.919 1.00 72.33 H new ATOM 0 HH22 ARG A 89 -2.750 -2.109 7.319 1.00 72.33 H new ATOM 1449 N LYS A 90 -0.650 -5.272 0.269 1.00 42.32 N ATOM 1450 CA LYS A 90 -0.565 -6.340 -0.735 1.00 1.13 C ATOM 1451 C LYS A 90 -1.298 -7.604 -0.267 1.00 34.24 C ATOM 1452 O LYS A 90 -2.180 -8.092 -0.960 1.00 14.21 O ATOM 1453 CB LYS A 90 0.919 -6.682 -1.035 1.00 50.20 C ATOM 1454 CG LYS A 90 1.124 -7.696 -2.184 1.00 0.12 C ATOM 1455 CD LYS A 90 0.768 -7.105 -3.558 1.00 40.00 C ATOM 1456 CE LYS A 90 1.737 -5.995 -3.988 1.00 43.24 C ATOM 1457 NZ LYS A 90 3.127 -6.485 -4.186 1.00 13.23 N ATOM 0 H LYS A 90 0.261 -4.962 0.609 1.00 42.32 H new ATOM 0 HA LYS A 90 -1.045 -5.978 -1.644 1.00 1.13 H new ATOM 0 HB2 LYS A 90 1.448 -5.761 -1.281 1.00 50.20 H new ATOM 0 HB3 LYS A 90 1.377 -7.081 -0.130 1.00 50.20 H new ATOM 0 HG2 LYS A 90 2.163 -8.027 -2.192 1.00 0.12 H new ATOM 0 HG3 LYS A 90 0.510 -8.578 -2.001 1.00 0.12 H new ATOM 0 HD2 LYS A 90 0.775 -7.899 -4.305 1.00 40.00 H new ATOM 0 HD3 LYS A 90 -0.246 -6.706 -3.527 1.00 40.00 H new ATOM 0 HE2 LYS A 90 1.380 -5.547 -4.915 1.00 43.24 H new ATOM 0 HE3 LYS A 90 1.738 -5.208 -3.233 1.00 43.24 H new ATOM 0 HZ1 LYS A 90 3.725 -5.704 -4.524 1.00 13.23 H new ATOM 0 HZ2 LYS A 90 3.501 -6.842 -3.284 1.00 13.23 H new ATOM 0 HZ3 LYS A 90 3.128 -7.252 -4.889 1.00 13.23 H new ATOM 1471 N ALA A 91 -0.926 -8.099 0.929 1.00 43.31 N ATOM 1472 CA ALA A 91 -1.465 -9.347 1.495 1.00 23.10 C ATOM 1473 C ALA A 91 -2.995 -9.283 1.660 1.00 73.31 C ATOM 1474 O ALA A 91 -3.698 -10.250 1.351 1.00 64.05 O ATOM 1475 CB ALA A 91 -0.774 -9.658 2.834 1.00 4.03 C ATOM 0 H ALA A 91 -0.241 -7.642 1.531 1.00 43.31 H new ATOM 0 HA ALA A 91 -1.255 -10.157 0.796 1.00 23.10 H new ATOM 0 HB1 ALA A 91 -1.178 -10.583 3.246 1.00 4.03 H new ATOM 0 HB2 ALA A 91 0.298 -9.771 2.673 1.00 4.03 H new ATOM 0 HB3 ALA A 91 -0.951 -8.841 3.533 1.00 4.03 H new ATOM 1481 N ALA A 92 -3.487 -8.114 2.106 1.00 1.52 N ATOM 1482 CA ALA A 92 -4.920 -7.877 2.349 1.00 54.14 C ATOM 1483 C ALA A 92 -5.721 -7.759 1.037 1.00 73.05 C ATOM 1484 O ALA A 92 -6.865 -8.228 0.957 1.00 15.21 O ATOM 1485 CB ALA A 92 -5.090 -6.612 3.189 1.00 31.10 C ATOM 0 H ALA A 92 -2.900 -7.305 2.309 1.00 1.52 H new ATOM 0 HA ALA A 92 -5.316 -8.737 2.889 1.00 54.14 H new ATOM 0 HB1 ALA A 92 -6.150 -6.435 3.370 1.00 31.10 H new ATOM 0 HB2 ALA A 92 -4.575 -6.736 4.142 1.00 31.10 H new ATOM 0 HB3 ALA A 92 -4.666 -5.761 2.656 1.00 31.10 H new ATOM 1491 N ALA A 93 -5.120 -7.113 0.026 1.00 11.42 N ATOM 1492 CA ALA A 93 -5.759 -6.919 -1.285 1.00 22.25 C ATOM 1493 C ALA A 93 -5.859 -8.268 -2.025 1.00 64.14 C ATOM 1494 O ALA A 93 -6.939 -8.644 -2.493 1.00 15.12 O ATOM 1495 CB ALA A 93 -4.984 -5.871 -2.095 1.00 31.24 C ATOM 0 H ALA A 93 -4.184 -6.713 0.093 1.00 11.42 H new ATOM 0 HA ALA A 93 -6.773 -6.543 -1.150 1.00 22.25 H new ATOM 0 HB1 ALA A 93 -5.463 -5.733 -3.064 1.00 31.24 H new ATOM 0 HB2 ALA A 93 -4.979 -4.924 -1.555 1.00 31.24 H new ATOM 0 HB3 ALA A 93 -3.959 -6.210 -2.242 1.00 31.24 H new ATOM 1501 N LEU A 94 -4.724 -9.001 -2.062 1.00 61.23 N ATOM 1502 CA LEU A 94 -4.644 -10.377 -2.600 1.00 44.31 C ATOM 1503 C LEU A 94 -5.662 -11.296 -1.896 1.00 50.41 C ATOM 1504 O LEU A 94 -6.341 -12.078 -2.555 1.00 63.04 O ATOM 1505 CB LEU A 94 -3.202 -10.955 -2.444 1.00 31.41 C ATOM 1506 CG LEU A 94 -2.084 -10.283 -3.309 1.00 43.10 C ATOM 1507 CD1 LEU A 94 -0.692 -10.877 -3.001 1.00 33.51 C ATOM 1508 CD2 LEU A 94 -2.398 -10.377 -4.820 1.00 1.54 C ATOM 0 H LEU A 94 -3.830 -8.651 -1.716 1.00 61.23 H new ATOM 0 HA LEU A 94 -4.885 -10.335 -3.662 1.00 44.31 H new ATOM 0 HB2 LEU A 94 -2.915 -10.878 -1.395 1.00 31.41 H new ATOM 0 HB3 LEU A 94 -3.231 -12.017 -2.689 1.00 31.41 H new ATOM 0 HG LEU A 94 -2.065 -9.228 -3.037 1.00 43.10 H new ATOM 0 HD11 LEU A 94 0.058 -10.386 -3.620 1.00 33.51 H new ATOM 0 HD12 LEU A 94 -0.454 -10.719 -1.949 1.00 33.51 H new ATOM 0 HD13 LEU A 94 -0.697 -11.946 -3.216 1.00 33.51 H new ATOM 0 HD21 LEU A 94 -1.599 -9.900 -5.388 1.00 1.54 H new ATOM 0 HD22 LEU A 94 -2.474 -11.425 -5.111 1.00 1.54 H new ATOM 0 HD23 LEU A 94 -3.342 -9.873 -5.027 1.00 1.54 H new ATOM 1520 N GLU A 95 -5.775 -11.155 -0.555 1.00 21.33 N ATOM 1521 CA GLU A 95 -6.779 -11.877 0.260 1.00 10.45 C ATOM 1522 C GLU A 95 -8.209 -11.649 -0.290 1.00 12.32 C ATOM 1523 O GLU A 95 -9.008 -12.590 -0.359 1.00 75.30 O ATOM 1524 CB GLU A 95 -6.702 -11.419 1.739 1.00 21.14 C ATOM 1525 CG GLU A 95 -7.677 -12.136 2.700 1.00 24.10 C ATOM 1526 CD GLU A 95 -7.801 -11.435 4.057 1.00 75.40 C ATOM 1527 OE1 GLU A 95 -6.921 -11.625 4.923 1.00 33.41 O ATOM 1528 OE2 GLU A 95 -8.773 -10.662 4.250 1.00 13.20 O ATOM 0 H GLU A 95 -5.174 -10.538 -0.008 1.00 21.33 H new ATOM 0 HA GLU A 95 -6.555 -12.942 0.204 1.00 10.45 H new ATOM 0 HB2 GLU A 95 -5.684 -11.572 2.098 1.00 21.14 H new ATOM 0 HB3 GLU A 95 -6.897 -10.347 1.782 1.00 21.14 H new ATOM 0 HG2 GLU A 95 -8.661 -12.193 2.235 1.00 24.10 H new ATOM 0 HG3 GLU A 95 -7.338 -13.160 2.856 1.00 24.10 H new ATOM 1535 N ALA A 96 -8.494 -10.405 -0.754 1.00 50.01 N ATOM 1536 CA ALA A 96 -9.824 -10.034 -1.278 1.00 34.25 C ATOM 1537 C ALA A 96 -10.049 -10.670 -2.668 1.00 4.42 C ATOM 1538 O ALA A 96 -11.189 -10.837 -3.107 1.00 55.31 O ATOM 1539 CB ALA A 96 -9.964 -8.499 -1.339 1.00 41.03 C ATOM 0 H ALA A 96 -7.815 -9.644 -0.774 1.00 50.01 H new ATOM 0 HA ALA A 96 -10.590 -10.417 -0.604 1.00 34.25 H new ATOM 0 HB1 ALA A 96 -10.949 -8.239 -1.727 1.00 41.03 H new ATOM 0 HB2 ALA A 96 -9.846 -8.083 -0.338 1.00 41.03 H new ATOM 0 HB3 ALA A 96 -9.196 -8.089 -1.995 1.00 41.03 H new ATOM 1545 N MET A 97 -8.933 -11.043 -3.334 1.00 60.21 N ATOM 1546 CA MET A 97 -8.936 -11.654 -4.683 1.00 3.01 C ATOM 1547 C MET A 97 -8.756 -13.179 -4.614 1.00 30.01 C ATOM 1548 O MET A 97 -8.571 -13.826 -5.650 1.00 10.11 O ATOM 1549 CB MET A 97 -7.812 -11.019 -5.536 1.00 5.20 C ATOM 1550 CG MET A 97 -7.988 -9.526 -5.724 1.00 32.13 C ATOM 1551 SD MET A 97 -9.591 -9.145 -6.461 1.00 21.44 S ATOM 1552 CE MET A 97 -9.677 -7.383 -6.221 1.00 32.12 C ATOM 0 H MET A 97 -7.996 -10.927 -2.947 1.00 60.21 H new ATOM 0 HA MET A 97 -9.904 -11.460 -5.146 1.00 3.01 H new ATOM 0 HB2 MET A 97 -6.850 -11.209 -5.060 1.00 5.20 H new ATOM 0 HB3 MET A 97 -7.786 -11.503 -6.512 1.00 5.20 H new ATOM 0 HG2 MET A 97 -7.899 -9.023 -4.761 1.00 32.13 H new ATOM 0 HG3 MET A 97 -7.191 -9.141 -6.360 1.00 32.13 H new ATOM 0 HE1 MET A 97 -10.615 -7.006 -6.628 1.00 32.12 H new ATOM 0 HE2 MET A 97 -9.627 -7.158 -5.156 1.00 32.12 H new ATOM 0 HE3 MET A 97 -8.842 -6.905 -6.733 1.00 32.12 H new ATOM 1562 N LYS A 98 -8.814 -13.728 -3.374 1.00 34.23 N ATOM 1563 CA LYS A 98 -8.711 -15.180 -3.070 1.00 73.33 C ATOM 1564 C LYS A 98 -7.260 -15.715 -3.229 1.00 31.10 C ATOM 1565 O LYS A 98 -7.027 -16.916 -3.104 1.00 63.11 O ATOM 1566 CB LYS A 98 -9.724 -16.043 -3.910 1.00 51.04 C ATOM 1567 CG LYS A 98 -11.193 -15.522 -3.933 1.00 33.11 C ATOM 1568 CD LYS A 98 -11.848 -15.423 -2.538 1.00 24.51 C ATOM 1569 CE LYS A 98 -11.969 -16.782 -1.834 1.00 72.43 C ATOM 1570 NZ LYS A 98 -12.804 -17.748 -2.588 1.00 5.10 N ATOM 0 H LYS A 98 -8.937 -13.159 -2.536 1.00 34.23 H new ATOM 0 HA LYS A 98 -8.986 -15.285 -2.021 1.00 73.33 H new ATOM 0 HB2 LYS A 98 -9.361 -16.100 -4.936 1.00 51.04 H new ATOM 0 HB3 LYS A 98 -9.724 -17.059 -3.515 1.00 51.04 H new ATOM 0 HG2 LYS A 98 -11.211 -14.538 -4.402 1.00 33.11 H new ATOM 0 HG3 LYS A 98 -11.792 -16.184 -4.558 1.00 33.11 H new ATOM 0 HD2 LYS A 98 -11.262 -14.748 -1.915 1.00 24.51 H new ATOM 0 HD3 LYS A 98 -12.840 -14.983 -2.639 1.00 24.51 H new ATOM 0 HE2 LYS A 98 -10.973 -17.203 -1.692 1.00 72.43 H new ATOM 0 HE3 LYS A 98 -12.397 -16.635 -0.842 1.00 72.43 H new ATOM 0 HZ1 LYS A 98 -12.935 -18.610 -2.021 1.00 5.10 H new ATOM 0 HZ2 LYS A 98 -13.731 -17.322 -2.790 1.00 5.10 H new ATOM 0 HZ3 LYS A 98 -12.332 -17.990 -3.483 1.00 5.10 H new ATOM 1584 N ASP A 99 -6.293 -14.800 -3.427 1.00 42.42 N ATOM 1585 CA ASP A 99 -4.859 -15.121 -3.655 1.00 20.13 C ATOM 1586 C ASP A 99 -4.093 -15.340 -2.324 1.00 74.35 C ATOM 1587 O ASP A 99 -2.953 -14.867 -2.165 1.00 21.21 O ATOM 1588 CB ASP A 99 -4.204 -13.973 -4.483 1.00 43.12 C ATOM 1589 CG ASP A 99 -4.585 -13.990 -5.969 1.00 62.12 C ATOM 1590 OD1 ASP A 99 -3.986 -14.778 -6.738 1.00 73.23 O ATOM 1591 OD2 ASP A 99 -5.482 -13.232 -6.380 1.00 24.31 O ATOM 0 H ASP A 99 -6.483 -13.798 -3.434 1.00 42.42 H new ATOM 0 HA ASP A 99 -4.801 -16.057 -4.210 1.00 20.13 H new ATOM 0 HB2 ASP A 99 -4.496 -13.015 -4.053 1.00 43.12 H new ATOM 0 HB3 ASP A 99 -3.120 -14.046 -4.394 1.00 43.12 H new ATOM 1596 N TYR A 100 -4.704 -16.116 -1.406 1.00 32.24 N ATOM 1597 CA TYR A 100 -4.139 -16.443 -0.075 1.00 54.31 C ATOM 1598 C TYR A 100 -2.732 -17.059 -0.182 1.00 1.02 C ATOM 1599 O TYR A 100 -1.847 -16.773 0.632 1.00 15.34 O ATOM 1600 CB TYR A 100 -5.080 -17.434 0.665 1.00 4.44 C ATOM 1601 CG TYR A 100 -6.557 -17.005 0.693 1.00 10.22 C ATOM 1602 CD1 TYR A 100 -6.919 -15.709 1.053 1.00 51.02 C ATOM 1603 CD2 TYR A 100 -7.584 -17.895 0.362 1.00 61.15 C ATOM 1604 CE1 TYR A 100 -8.240 -15.326 1.080 1.00 32.53 C ATOM 1605 CE2 TYR A 100 -8.905 -17.510 0.389 1.00 21.20 C ATOM 1606 CZ TYR A 100 -9.227 -16.227 0.751 1.00 65.33 C ATOM 1607 OH TYR A 100 -10.544 -15.841 0.800 1.00 75.04 O ATOM 0 H TYR A 100 -5.617 -16.541 -1.568 1.00 32.24 H new ATOM 0 HA TYR A 100 -4.056 -15.511 0.485 1.00 54.31 H new ATOM 0 HB2 TYR A 100 -5.007 -18.411 0.188 1.00 4.44 H new ATOM 0 HB3 TYR A 100 -4.729 -17.553 1.690 1.00 4.44 H new ATOM 0 HD1 TYR A 100 -6.152 -14.995 1.315 1.00 51.02 H new ATOM 0 HD2 TYR A 100 -7.335 -18.907 0.079 1.00 61.15 H new ATOM 0 HE1 TYR A 100 -8.503 -14.317 1.360 1.00 32.53 H new ATOM 0 HE2 TYR A 100 -9.682 -18.213 0.127 1.00 21.20 H new ATOM 0 HH TYR A 100 -10.611 -14.882 0.608 1.00 75.04 H new ATOM 1617 N THR A 101 -2.557 -17.896 -1.219 1.00 33.04 N ATOM 1618 CA THR A 101 -1.295 -18.573 -1.520 1.00 62.32 C ATOM 1619 C THR A 101 -0.166 -17.572 -1.842 1.00 35.24 C ATOM 1620 O THR A 101 0.992 -17.816 -1.504 1.00 14.20 O ATOM 1621 CB THR A 101 -1.477 -19.551 -2.722 1.00 3.24 C ATOM 1622 OG1 THR A 101 -2.012 -18.832 -3.849 1.00 24.45 O ATOM 1623 CG2 THR A 101 -2.416 -20.719 -2.382 1.00 73.40 C ATOM 0 H THR A 101 -3.302 -18.121 -1.878 1.00 33.04 H new ATOM 0 HA THR A 101 -1.010 -19.132 -0.628 1.00 62.32 H new ATOM 0 HB THR A 101 -0.497 -19.965 -2.958 1.00 3.24 H new ATOM 0 HG1 THR A 101 -2.125 -19.446 -4.605 1.00 24.45 H new ATOM 0 HG21 THR A 101 -2.512 -21.373 -3.249 1.00 73.40 H new ATOM 0 HG22 THR A 101 -2.006 -21.284 -1.545 1.00 73.40 H new ATOM 0 HG23 THR A 101 -3.397 -20.330 -2.111 1.00 73.40 H new ATOM 1631 N LYS A 102 -0.521 -16.443 -2.492 1.00 63.10 N ATOM 1632 CA LYS A 102 0.462 -15.402 -2.876 1.00 53.44 C ATOM 1633 C LYS A 102 0.775 -14.540 -1.653 1.00 33.15 C ATOM 1634 O LYS A 102 1.934 -14.238 -1.376 1.00 54.24 O ATOM 1635 CB LYS A 102 -0.065 -14.506 -4.044 1.00 61.34 C ATOM 1636 CG LYS A 102 -0.911 -15.242 -5.096 1.00 10.15 C ATOM 1637 CD LYS A 102 -0.219 -16.460 -5.741 1.00 41.01 C ATOM 1638 CE LYS A 102 -1.191 -17.233 -6.649 1.00 41.22 C ATOM 1639 NZ LYS A 102 -1.722 -16.393 -7.757 1.00 61.41 N ATOM 0 H LYS A 102 -1.480 -16.227 -2.763 1.00 63.10 H new ATOM 0 HA LYS A 102 1.366 -15.896 -3.231 1.00 53.44 H new ATOM 0 HB2 LYS A 102 -0.661 -13.697 -3.621 1.00 61.34 H new ATOM 0 HB3 LYS A 102 0.788 -14.046 -4.543 1.00 61.34 H new ATOM 0 HG2 LYS A 102 -1.839 -15.573 -4.630 1.00 10.15 H new ATOM 0 HG3 LYS A 102 -1.183 -14.537 -5.882 1.00 10.15 H new ATOM 0 HD2 LYS A 102 0.641 -16.128 -6.323 1.00 41.01 H new ATOM 0 HD3 LYS A 102 0.160 -17.122 -4.962 1.00 41.01 H new ATOM 0 HE2 LYS A 102 -0.681 -18.101 -7.067 1.00 41.22 H new ATOM 0 HE3 LYS A 102 -2.022 -17.609 -6.051 1.00 41.22 H new ATOM 0 HZ1 LYS A 102 -2.037 -17.005 -8.537 1.00 61.41 H new ATOM 0 HZ2 LYS A 102 -2.526 -15.831 -7.412 1.00 61.41 H new ATOM 0 HZ3 LYS A 102 -0.975 -15.755 -8.098 1.00 61.41 H new ATOM 1653 N ALA A 103 -0.299 -14.187 -0.917 1.00 44.14 N ATOM 1654 CA ALA A 103 -0.230 -13.365 0.303 1.00 2.11 C ATOM 1655 C ALA A 103 0.663 -14.020 1.376 1.00 42.11 C ATOM 1656 O ALA A 103 1.433 -13.339 2.063 1.00 1.51 O ATOM 1657 CB ALA A 103 -1.644 -13.125 0.847 1.00 33.42 C ATOM 0 H ALA A 103 -1.249 -14.470 -1.158 1.00 44.14 H new ATOM 0 HA ALA A 103 0.222 -12.407 0.046 1.00 2.11 H new ATOM 0 HB1 ALA A 103 -1.588 -12.516 1.750 1.00 33.42 H new ATOM 0 HB2 ALA A 103 -2.240 -12.606 0.096 1.00 33.42 H new ATOM 0 HB3 ALA A 103 -2.110 -14.082 1.083 1.00 33.42 H new ATOM 1663 N MET A 104 0.579 -15.359 1.465 1.00 12.10 N ATOM 1664 CA MET A 104 1.353 -16.172 2.420 1.00 30.32 C ATOM 1665 C MET A 104 2.866 -16.185 2.075 1.00 61.23 C ATOM 1666 O MET A 104 3.685 -16.605 2.893 1.00 61.10 O ATOM 1667 CB MET A 104 0.759 -17.607 2.528 1.00 13.33 C ATOM 1668 CG MET A 104 1.305 -18.669 1.555 1.00 21.42 C ATOM 1669 SD MET A 104 0.183 -20.076 1.291 1.00 33.11 S ATOM 1670 CE MET A 104 -0.848 -20.076 2.765 1.00 20.35 C ATOM 0 H MET A 104 -0.035 -15.914 0.869 1.00 12.10 H new ATOM 0 HA MET A 104 1.269 -15.708 3.403 1.00 30.32 H new ATOM 0 HB2 MET A 104 0.922 -17.965 3.545 1.00 13.33 H new ATOM 0 HB3 MET A 104 -0.319 -17.538 2.383 1.00 13.33 H new ATOM 0 HG2 MET A 104 1.510 -18.196 0.595 1.00 21.42 H new ATOM 0 HG3 MET A 104 2.256 -19.042 1.936 1.00 21.42 H new ATOM 0 HE1 MET A 104 -1.306 -21.057 2.888 1.00 20.35 H new ATOM 0 HE2 MET A 104 -0.235 -19.849 3.638 1.00 20.35 H new ATOM 0 HE3 MET A 104 -1.628 -19.321 2.663 1.00 20.35 H new ATOM 1680 N ASP A 105 3.222 -15.832 0.832 1.00 43.50 N ATOM 1681 CA ASP A 105 4.626 -15.525 0.475 1.00 50.12 C ATOM 1682 C ASP A 105 4.971 -14.063 0.839 1.00 72.33 C ATOM 1683 O ASP A 105 6.096 -13.779 1.257 1.00 73.10 O ATOM 1684 CB ASP A 105 4.893 -15.776 -1.034 1.00 34.51 C ATOM 1685 CG ASP A 105 4.699 -17.249 -1.440 1.00 24.11 C ATOM 1686 OD1 ASP A 105 5.529 -18.097 -1.042 1.00 13.34 O ATOM 1687 OD2 ASP A 105 3.728 -17.569 -2.168 1.00 44.14 O ATOM 0 H ASP A 105 2.565 -15.750 0.056 1.00 43.50 H new ATOM 0 HA ASP A 105 5.267 -16.194 1.049 1.00 50.12 H new ATOM 0 HB2 ASP A 105 4.224 -15.150 -1.625 1.00 34.51 H new ATOM 0 HB3 ASP A 105 5.911 -15.469 -1.274 1.00 34.51 H new ATOM 1692 N VAL A 106 3.970 -13.154 0.728 1.00 12.51 N ATOM 1693 CA VAL A 106 4.173 -11.692 0.866 1.00 23.41 C ATOM 1694 C VAL A 106 4.456 -11.315 2.332 1.00 43.31 C ATOM 1695 O VAL A 106 5.301 -10.447 2.601 1.00 51.23 O ATOM 1696 CB VAL A 106 2.922 -10.891 0.318 1.00 13.24 C ATOM 1697 CG1 VAL A 106 3.013 -9.378 0.629 1.00 34.21 C ATOM 1698 CG2 VAL A 106 2.742 -11.124 -1.203 1.00 73.44 C ATOM 0 H VAL A 106 3.002 -13.414 0.541 1.00 12.51 H new ATOM 0 HA VAL A 106 5.041 -11.417 0.267 1.00 23.41 H new ATOM 0 HB VAL A 106 2.045 -11.276 0.838 1.00 13.24 H new ATOM 0 HG11 VAL A 106 2.133 -8.872 0.233 1.00 34.21 H new ATOM 0 HG12 VAL A 106 3.062 -9.231 1.708 1.00 34.21 H new ATOM 0 HG13 VAL A 106 3.908 -8.964 0.165 1.00 34.21 H new ATOM 0 HG21 VAL A 106 1.877 -10.564 -1.557 1.00 73.44 H new ATOM 0 HG22 VAL A 106 3.634 -10.786 -1.731 1.00 73.44 H new ATOM 0 HG23 VAL A 106 2.589 -12.186 -1.393 1.00 73.44 H new ATOM 1708 N TYR A 107 3.762 -12.002 3.272 1.00 12.33 N ATOM 1709 CA TYR A 107 3.918 -11.763 4.723 1.00 14.03 C ATOM 1710 C TYR A 107 5.359 -12.100 5.154 1.00 55.31 C ATOM 1711 O TYR A 107 5.937 -11.423 6.007 1.00 52.12 O ATOM 1712 CB TYR A 107 2.865 -12.580 5.569 1.00 34.23 C ATOM 1713 CG TYR A 107 3.376 -13.907 6.191 1.00 74.02 C ATOM 1714 CD1 TYR A 107 3.387 -15.086 5.462 1.00 53.02 C ATOM 1715 CD2 TYR A 107 3.871 -13.964 7.503 1.00 14.12 C ATOM 1716 CE1 TYR A 107 3.868 -16.269 5.995 1.00 52.32 C ATOM 1717 CE2 TYR A 107 4.348 -15.145 8.042 1.00 72.23 C ATOM 1718 CZ TYR A 107 4.347 -16.292 7.284 1.00 14.42 C ATOM 1719 OH TYR A 107 4.819 -17.473 7.819 1.00 53.25 O ATOM 0 H TYR A 107 3.085 -12.731 3.046 1.00 12.33 H new ATOM 0 HA TYR A 107 3.727 -10.708 4.918 1.00 14.03 H new ATOM 0 HB2 TYR A 107 2.500 -11.941 6.373 1.00 34.23 H new ATOM 0 HB3 TYR A 107 2.012 -12.806 4.930 1.00 34.23 H new ATOM 0 HD1 TYR A 107 3.010 -15.081 4.450 1.00 53.02 H new ATOM 0 HD2 TYR A 107 3.880 -13.067 8.104 1.00 14.12 H new ATOM 0 HE1 TYR A 107 3.867 -17.171 5.401 1.00 52.32 H new ATOM 0 HE2 TYR A 107 4.720 -15.166 9.056 1.00 72.23 H new ATOM 0 HH TYR A 107 5.122 -17.318 8.738 1.00 53.25 H new ATOM 1729 N GLN A 108 5.908 -13.167 4.534 1.00 22.14 N ATOM 1730 CA GLN A 108 7.252 -13.683 4.808 1.00 32.21 C ATOM 1731 C GLN A 108 8.273 -12.624 4.364 1.00 73.20 C ATOM 1732 O GLN A 108 9.203 -12.299 5.100 1.00 75.34 O ATOM 1733 CB GLN A 108 7.437 -15.052 4.059 1.00 63.44 C ATOM 1734 CG GLN A 108 8.588 -15.965 4.545 1.00 21.24 C ATOM 1735 CD GLN A 108 9.983 -15.529 4.081 1.00 52.32 C ATOM 1736 OE1 GLN A 108 10.479 -15.958 3.045 1.00 71.35 O ATOM 1737 NE2 GLN A 108 10.621 -14.670 4.847 1.00 72.41 N ATOM 0 H GLN A 108 5.414 -13.698 3.817 1.00 22.14 H new ATOM 0 HA GLN A 108 7.403 -13.873 5.871 1.00 32.21 H new ATOM 0 HB2 GLN A 108 6.504 -15.611 4.138 1.00 63.44 H new ATOM 0 HB3 GLN A 108 7.594 -14.842 3.001 1.00 63.44 H new ATOM 0 HG2 GLN A 108 8.575 -15.997 5.634 1.00 21.24 H new ATOM 0 HG3 GLN A 108 8.403 -16.980 4.194 1.00 21.24 H new ATOM 0 HE21 GLN A 108 10.185 -14.329 5.704 1.00 72.41 H new ATOM 0 HE22 GLN A 108 11.551 -14.345 4.584 1.00 72.41 H new ATOM 1746 N LYS A 109 8.029 -12.058 3.169 1.00 33.34 N ATOM 1747 CA LYS A 109 8.867 -10.999 2.580 1.00 42.10 C ATOM 1748 C LYS A 109 8.782 -9.683 3.388 1.00 63.22 C ATOM 1749 O LYS A 109 9.749 -8.921 3.435 1.00 44.00 O ATOM 1750 CB LYS A 109 8.465 -10.769 1.100 1.00 31.41 C ATOM 1751 CG LYS A 109 8.598 -12.022 0.203 1.00 31.23 C ATOM 1752 CD LYS A 109 10.050 -12.555 0.109 1.00 11.24 C ATOM 1753 CE LYS A 109 11.006 -11.572 -0.592 1.00 43.25 C ATOM 1754 NZ LYS A 109 12.375 -12.129 -0.725 1.00 71.04 N ATOM 0 H LYS A 109 7.239 -12.324 2.581 1.00 33.34 H new ATOM 0 HA LYS A 109 9.905 -11.329 2.618 1.00 42.10 H new ATOM 0 HB2 LYS A 109 7.433 -10.420 1.066 1.00 31.41 H new ATOM 0 HB3 LYS A 109 9.085 -9.973 0.687 1.00 31.41 H new ATOM 0 HG2 LYS A 109 7.953 -12.810 0.593 1.00 31.23 H new ATOM 0 HG3 LYS A 109 8.240 -11.783 -0.799 1.00 31.23 H new ATOM 0 HD2 LYS A 109 10.421 -12.761 1.113 1.00 11.24 H new ATOM 0 HD3 LYS A 109 10.050 -13.501 -0.432 1.00 11.24 H new ATOM 0 HE2 LYS A 109 10.616 -11.329 -1.580 1.00 43.25 H new ATOM 0 HE3 LYS A 109 11.047 -10.641 -0.027 1.00 43.25 H new ATOM 0 HZ1 LYS A 109 12.987 -11.436 -1.202 1.00 71.04 H new ATOM 0 HZ2 LYS A 109 12.758 -12.337 0.219 1.00 71.04 H new ATOM 0 HZ3 LYS A 109 12.341 -13.004 -1.286 1.00 71.04 H new ATOM 1768 N ALA A 110 7.621 -9.441 4.019 1.00 5.33 N ATOM 1769 CA ALA A 110 7.413 -8.285 4.904 1.00 0.32 C ATOM 1770 C ALA A 110 8.231 -8.443 6.210 1.00 15.01 C ATOM 1771 O ALA A 110 8.890 -7.493 6.658 1.00 44.54 O ATOM 1772 CB ALA A 110 5.916 -8.120 5.185 1.00 43.14 C ATOM 0 H ALA A 110 6.801 -10.041 3.929 1.00 5.33 H new ATOM 0 HA ALA A 110 7.770 -7.380 4.412 1.00 0.32 H new ATOM 0 HB1 ALA A 110 5.761 -7.263 5.841 1.00 43.14 H new ATOM 0 HB2 ALA A 110 5.385 -7.959 4.247 1.00 43.14 H new ATOM 0 HB3 ALA A 110 5.535 -9.020 5.668 1.00 43.14 H new ATOM 1778 N LEU A 111 8.197 -9.669 6.791 1.00 54.04 N ATOM 1779 CA LEU A 111 9.009 -10.036 7.979 1.00 5.32 C ATOM 1780 C LEU A 111 10.516 -10.037 7.628 1.00 55.32 C ATOM 1781 O LEU A 111 11.365 -9.755 8.484 1.00 54.42 O ATOM 1782 CB LEU A 111 8.606 -11.438 8.526 1.00 71.22 C ATOM 1783 CG LEU A 111 7.144 -11.604 9.057 1.00 63.54 C ATOM 1784 CD1 LEU A 111 6.887 -13.051 9.534 1.00 2.35 C ATOM 1785 CD2 LEU A 111 6.833 -10.586 10.176 1.00 73.14 C ATOM 0 H LEU A 111 7.608 -10.429 6.450 1.00 54.04 H new ATOM 0 HA LEU A 111 8.817 -9.290 8.750 1.00 5.32 H new ATOM 0 HB2 LEU A 111 8.762 -12.168 7.732 1.00 71.22 H new ATOM 0 HB3 LEU A 111 9.290 -11.695 9.334 1.00 71.22 H new ATOM 0 HG LEU A 111 6.467 -11.399 8.228 1.00 63.54 H new ATOM 0 HD11 LEU A 111 5.863 -13.138 9.898 1.00 2.35 H new ATOM 0 HD12 LEU A 111 7.036 -13.740 8.703 1.00 2.35 H new ATOM 0 HD13 LEU A 111 7.580 -13.297 10.338 1.00 2.35 H new ATOM 0 HD21 LEU A 111 5.810 -10.728 10.523 1.00 73.14 H new ATOM 0 HD22 LEU A 111 7.522 -10.737 11.007 1.00 73.14 H new ATOM 0 HD23 LEU A 111 6.948 -9.574 9.789 1.00 73.14 H new ATOM 1797 N ASP A 112 10.820 -10.364 6.349 1.00 25.45 N ATOM 1798 CA ASP A 112 12.192 -10.419 5.811 1.00 2.10 C ATOM 1799 C ASP A 112 12.827 -9.021 5.821 1.00 75.14 C ATOM 1800 O ASP A 112 14.043 -8.892 6.025 1.00 54.34 O ATOM 1801 CB ASP A 112 12.182 -11.014 4.371 1.00 15.11 C ATOM 1802 CG ASP A 112 13.571 -11.062 3.706 1.00 34.23 C ATOM 1803 OD1 ASP A 112 14.328 -12.022 3.967 1.00 62.40 O ATOM 1804 OD2 ASP A 112 13.912 -10.143 2.924 1.00 24.31 O ATOM 0 H ASP A 112 10.108 -10.599 5.658 1.00 25.45 H new ATOM 0 HA ASP A 112 12.793 -11.069 6.446 1.00 2.10 H new ATOM 0 HB2 ASP A 112 11.773 -12.024 4.408 1.00 15.11 H new ATOM 0 HB3 ASP A 112 11.512 -10.421 3.748 1.00 15.11 H new ATOM 1809 N LEU A 113 11.992 -7.980 5.598 1.00 45.02 N ATOM 1810 CA LEU A 113 12.424 -6.578 5.711 1.00 62.23 C ATOM 1811 C LEU A 113 12.801 -6.275 7.173 1.00 33.21 C ATOM 1812 O LEU A 113 13.921 -5.819 7.453 1.00 75.12 O ATOM 1813 CB LEU A 113 11.314 -5.603 5.217 1.00 21.03 C ATOM 1814 CG LEU A 113 10.853 -5.775 3.733 1.00 71.03 C ATOM 1815 CD1 LEU A 113 9.778 -4.736 3.356 1.00 31.23 C ATOM 1816 CD2 LEU A 113 12.057 -5.716 2.763 1.00 14.14 C ATOM 0 H LEU A 113 11.012 -8.091 5.338 1.00 45.02 H new ATOM 0 HA LEU A 113 13.296 -6.429 5.075 1.00 62.23 H new ATOM 0 HB2 LEU A 113 10.443 -5.721 5.862 1.00 21.03 H new ATOM 0 HB3 LEU A 113 11.672 -4.582 5.348 1.00 21.03 H new ATOM 0 HG LEU A 113 10.401 -6.763 3.640 1.00 71.03 H new ATOM 0 HD11 LEU A 113 9.479 -4.882 2.318 1.00 31.23 H new ATOM 0 HD12 LEU A 113 8.911 -4.858 4.005 1.00 31.23 H new ATOM 0 HD13 LEU A 113 10.184 -3.732 3.478 1.00 31.23 H new ATOM 0 HD21 LEU A 113 11.705 -5.839 1.739 1.00 14.14 H new ATOM 0 HD22 LEU A 113 12.557 -4.753 2.862 1.00 14.14 H new ATOM 0 HD23 LEU A 113 12.758 -6.515 3.004 1.00 14.14 H new ATOM 1828 N ASP A 114 11.862 -6.576 8.102 1.00 3.40 N ATOM 1829 CA ASP A 114 12.073 -6.356 9.546 1.00 70.41 C ATOM 1830 C ASP A 114 11.011 -7.120 10.373 1.00 64.03 C ATOM 1831 O ASP A 114 9.843 -7.177 9.978 1.00 50.23 O ATOM 1832 CB ASP A 114 12.026 -4.835 9.869 1.00 2.23 C ATOM 1833 CG ASP A 114 12.726 -4.482 11.189 1.00 41.03 C ATOM 1834 OD1 ASP A 114 12.101 -4.597 12.260 1.00 72.15 O ATOM 1835 OD2 ASP A 114 13.915 -4.116 11.162 1.00 11.53 O ATOM 0 H ASP A 114 10.951 -6.972 7.872 1.00 3.40 H new ATOM 0 HA ASP A 114 13.057 -6.740 9.817 1.00 70.41 H new ATOM 0 HB2 ASP A 114 12.495 -4.281 9.056 1.00 2.23 H new ATOM 0 HB3 ASP A 114 10.986 -4.511 9.917 1.00 2.23 H new ATOM 1840 N SER A 115 11.431 -7.655 11.544 1.00 42.12 N ATOM 1841 CA SER A 115 10.558 -8.432 12.456 1.00 12.02 C ATOM 1842 C SER A 115 9.391 -7.572 12.990 1.00 64.43 C ATOM 1843 O SER A 115 8.285 -8.079 13.216 1.00 15.21 O ATOM 1844 CB SER A 115 11.389 -8.995 13.632 1.00 44.13 C ATOM 1845 OG SER A 115 12.546 -9.670 13.166 1.00 41.43 O ATOM 0 H SER A 115 12.388 -7.559 11.884 1.00 42.12 H new ATOM 0 HA SER A 115 10.130 -9.259 11.889 1.00 12.02 H new ATOM 0 HB2 SER A 115 11.682 -8.182 14.296 1.00 44.13 H new ATOM 0 HB3 SER A 115 10.777 -9.680 14.218 1.00 44.13 H new ATOM 0 HG SER A 115 13.054 -10.014 13.930 1.00 41.43 H new ATOM 1851 N SER A 116 9.632 -6.245 13.117 1.00 23.01 N ATOM 1852 CA SER A 116 8.621 -5.265 13.572 1.00 1.05 C ATOM 1853 C SER A 116 7.440 -5.145 12.570 1.00 72.51 C ATOM 1854 O SER A 116 6.485 -4.406 12.815 1.00 70.45 O ATOM 1855 CB SER A 116 9.298 -3.886 13.817 1.00 43.45 C ATOM 1856 OG SER A 116 8.415 -2.947 14.415 1.00 63.12 O ATOM 0 H SER A 116 10.537 -5.825 12.906 1.00 23.01 H new ATOM 0 HA SER A 116 8.198 -5.621 14.511 1.00 1.05 H new ATOM 0 HB2 SER A 116 10.169 -4.021 14.458 1.00 43.45 H new ATOM 0 HB3 SER A 116 9.659 -3.488 12.869 1.00 43.45 H new ATOM 0 HG SER A 116 7.502 -3.107 14.095 1.00 63.12 H new ATOM 1862 N CYS A 117 7.522 -5.883 11.445 1.00 64.32 N ATOM 1863 CA CYS A 117 6.411 -6.081 10.502 1.00 45.34 C ATOM 1864 C CYS A 117 5.477 -7.246 10.940 1.00 2.13 C ATOM 1865 O CYS A 117 4.739 -7.781 10.112 1.00 5.31 O ATOM 1866 CB CYS A 117 6.954 -6.315 9.082 1.00 54.44 C ATOM 1867 SG CYS A 117 5.676 -6.299 7.808 1.00 34.10 S ATOM 0 H CYS A 117 8.377 -6.364 11.165 1.00 64.32 H new ATOM 0 HA CYS A 117 5.808 -5.173 10.503 1.00 45.34 H new ATOM 0 HB2 CYS A 117 7.693 -5.547 8.853 1.00 54.44 H new ATOM 0 HB3 CYS A 117 7.472 -7.274 9.053 1.00 54.44 H new ATOM 0 HG CYS A 117 4.680 -7.046 8.183 1.00 34.10 H new ATOM 1873 N LYS A 118 5.551 -7.680 12.233 1.00 10.15 N ATOM 1874 CA LYS A 118 4.642 -8.728 12.831 1.00 24.44 C ATOM 1875 C LYS A 118 3.152 -8.654 12.375 1.00 22.14 C ATOM 1876 O LYS A 118 2.484 -9.686 12.352 1.00 52.32 O ATOM 1877 CB LYS A 118 4.673 -8.649 14.385 1.00 13.31 C ATOM 1878 CG LYS A 118 5.968 -9.153 15.055 1.00 61.12 C ATOM 1879 CD LYS A 118 6.271 -10.646 14.778 1.00 75.55 C ATOM 1880 CE LYS A 118 5.156 -11.590 15.274 1.00 62.25 C ATOM 1881 NZ LYS A 118 5.537 -13.016 15.136 1.00 73.12 N ATOM 0 H LYS A 118 6.238 -7.319 12.895 1.00 10.15 H new ATOM 0 HA LYS A 118 5.040 -9.673 12.461 1.00 24.44 H new ATOM 0 HB2 LYS A 118 4.512 -7.612 14.681 1.00 13.31 H new ATOM 0 HB3 LYS A 118 3.835 -9.226 14.777 1.00 13.31 H new ATOM 0 HG2 LYS A 118 6.806 -8.550 14.705 1.00 61.12 H new ATOM 0 HG3 LYS A 118 5.893 -9.000 16.132 1.00 61.12 H new ATOM 0 HD2 LYS A 118 6.411 -10.790 13.707 1.00 75.55 H new ATOM 0 HD3 LYS A 118 7.210 -10.916 15.261 1.00 75.55 H new ATOM 0 HE2 LYS A 118 4.935 -11.373 16.319 1.00 62.25 H new ATOM 0 HE3 LYS A 118 4.243 -11.402 14.709 1.00 62.25 H new ATOM 0 HZ1 LYS A 118 4.761 -13.617 15.480 1.00 73.12 H new ATOM 0 HZ2 LYS A 118 5.724 -13.230 14.136 1.00 73.12 H new ATOM 0 HZ3 LYS A 118 6.394 -13.202 15.696 1.00 73.12 H new ATOM 1895 N GLU A 119 2.652 -7.448 12.041 1.00 65.44 N ATOM 1896 CA GLU A 119 1.282 -7.241 11.501 1.00 41.33 C ATOM 1897 C GLU A 119 0.992 -8.137 10.264 1.00 63.22 C ATOM 1898 O GLU A 119 -0.122 -8.632 10.103 1.00 45.22 O ATOM 1899 CB GLU A 119 1.083 -5.745 11.154 1.00 4.43 C ATOM 1900 CG GLU A 119 2.139 -5.163 10.187 1.00 51.01 C ATOM 1901 CD GLU A 119 2.011 -3.646 10.009 1.00 21.21 C ATOM 1902 OE1 GLU A 119 2.392 -2.891 10.937 1.00 31.35 O ATOM 1903 OE2 GLU A 119 1.511 -3.190 8.964 1.00 25.13 O ATOM 0 H GLU A 119 3.184 -6.583 12.136 1.00 65.44 H new ATOM 0 HA GLU A 119 0.570 -7.535 12.272 1.00 41.33 H new ATOM 0 HB2 GLU A 119 0.095 -5.616 10.712 1.00 4.43 H new ATOM 0 HB3 GLU A 119 1.097 -5.166 12.078 1.00 4.43 H new ATOM 0 HG2 GLU A 119 3.136 -5.397 10.561 1.00 51.01 H new ATOM 0 HG3 GLU A 119 2.041 -5.648 9.216 1.00 51.01 H new ATOM 1910 N ALA A 120 2.005 -8.337 9.408 1.00 24.45 N ATOM 1911 CA ALA A 120 1.925 -9.245 8.249 1.00 31.11 C ATOM 1912 C ALA A 120 1.754 -10.706 8.709 1.00 72.41 C ATOM 1913 O ALA A 120 1.030 -11.479 8.075 1.00 53.31 O ATOM 1914 CB ALA A 120 3.174 -9.088 7.368 1.00 2.31 C ATOM 0 H ALA A 120 2.908 -7.872 9.499 1.00 24.45 H new ATOM 0 HA ALA A 120 1.049 -8.979 7.657 1.00 31.11 H new ATOM 0 HB1 ALA A 120 3.105 -9.763 6.515 1.00 2.31 H new ATOM 0 HB2 ALA A 120 3.242 -8.060 7.013 1.00 2.31 H new ATOM 0 HB3 ALA A 120 4.063 -9.330 7.951 1.00 2.31 H new ATOM 1920 N ALA A 121 2.389 -11.060 9.850 1.00 44.21 N ATOM 1921 CA ALA A 121 2.314 -12.419 10.413 1.00 33.33 C ATOM 1922 C ALA A 121 0.905 -12.663 10.974 1.00 0.42 C ATOM 1923 O ALA A 121 0.314 -13.708 10.748 1.00 14.53 O ATOM 1924 CB ALA A 121 3.393 -12.628 11.487 1.00 33.05 C ATOM 0 H ALA A 121 2.960 -10.417 10.398 1.00 44.21 H new ATOM 0 HA ALA A 121 2.504 -13.146 9.623 1.00 33.33 H new ATOM 0 HB1 ALA A 121 3.317 -13.639 11.887 1.00 33.05 H new ATOM 0 HB2 ALA A 121 4.379 -12.486 11.045 1.00 33.05 H new ATOM 0 HB3 ALA A 121 3.250 -11.907 12.292 1.00 33.05 H new ATOM 1930 N ASP A 122 0.373 -11.642 11.666 1.00 55.52 N ATOM 1931 CA ASP A 122 -1.020 -11.602 12.148 1.00 4.30 C ATOM 1932 C ASP A 122 -2.002 -11.786 10.970 1.00 0.34 C ATOM 1933 O ASP A 122 -2.968 -12.560 11.061 1.00 43.40 O ATOM 1934 CB ASP A 122 -1.257 -10.241 12.870 1.00 3.03 C ATOM 1935 CG ASP A 122 -2.729 -9.969 13.234 1.00 75.23 C ATOM 1936 OD1 ASP A 122 -3.207 -10.522 14.244 1.00 63.20 O ATOM 1937 OD2 ASP A 122 -3.405 -9.190 12.522 1.00 4.51 O ATOM 0 H ASP A 122 0.906 -10.808 11.911 1.00 55.52 H new ATOM 0 HA ASP A 122 -1.196 -12.417 12.850 1.00 4.30 H new ATOM 0 HB2 ASP A 122 -0.658 -10.216 13.781 1.00 3.03 H new ATOM 0 HB3 ASP A 122 -0.897 -9.435 12.230 1.00 3.03 H new ATOM 1942 N GLY A 123 -1.711 -11.070 9.867 1.00 44.14 N ATOM 1943 CA GLY A 123 -2.498 -11.139 8.637 1.00 73.53 C ATOM 1944 C GLY A 123 -2.399 -12.503 7.957 1.00 35.01 C ATOM 1945 O GLY A 123 -3.329 -12.910 7.254 1.00 72.20 O ATOM 0 H GLY A 123 -0.920 -10.428 9.811 1.00 44.14 H new ATOM 0 HA2 GLY A 123 -3.542 -10.925 8.865 1.00 73.53 H new ATOM 0 HA3 GLY A 123 -2.157 -10.367 7.947 1.00 73.53 H new ATOM 1949 N TYR A 124 -1.248 -13.202 8.157 1.00 0.33 N ATOM 1950 CA TYR A 124 -1.052 -14.585 7.690 1.00 52.41 C ATOM 1951 C TYR A 124 -2.037 -15.533 8.376 1.00 4.31 C ATOM 1952 O TYR A 124 -2.669 -16.324 7.692 1.00 2.22 O ATOM 1953 CB TYR A 124 0.396 -15.082 7.931 1.00 74.43 C ATOM 1954 CG TYR A 124 0.621 -16.571 7.584 1.00 0.31 C ATOM 1955 CD1 TYR A 124 0.293 -17.075 6.320 1.00 11.21 C ATOM 1956 CD2 TYR A 124 1.144 -17.472 8.522 1.00 10.44 C ATOM 1957 CE1 TYR A 124 0.470 -18.409 6.013 1.00 14.31 C ATOM 1958 CE2 TYR A 124 1.328 -18.804 8.208 1.00 0.44 C ATOM 1959 CZ TYR A 124 0.985 -19.265 6.955 1.00 20.12 C ATOM 1960 OH TYR A 124 1.151 -20.596 6.645 1.00 53.04 O ATOM 0 H TYR A 124 -0.439 -12.817 8.645 1.00 0.33 H new ATOM 0 HA TYR A 124 -1.235 -14.583 6.616 1.00 52.41 H new ATOM 0 HB2 TYR A 124 1.080 -14.475 7.338 1.00 74.43 H new ATOM 0 HB3 TYR A 124 0.654 -14.922 8.978 1.00 74.43 H new ATOM 0 HD1 TYR A 124 -0.106 -16.407 5.571 1.00 11.21 H new ATOM 0 HD2 TYR A 124 1.408 -17.118 9.508 1.00 10.44 H new ATOM 0 HE1 TYR A 124 0.204 -18.779 5.034 1.00 14.31 H new ATOM 0 HE2 TYR A 124 1.739 -19.482 8.941 1.00 0.44 H new ATOM 0 HH TYR A 124 1.527 -21.067 7.418 1.00 53.04 H new ATOM 1970 N GLN A 125 -2.144 -15.459 9.721 1.00 70.15 N ATOM 1971 CA GLN A 125 -3.101 -16.287 10.499 1.00 22.24 C ATOM 1972 C GLN A 125 -4.537 -16.191 9.928 1.00 41.53 C ATOM 1973 O GLN A 125 -5.261 -17.188 9.895 1.00 53.13 O ATOM 1974 CB GLN A 125 -3.059 -15.893 12.011 1.00 23.32 C ATOM 1975 CG GLN A 125 -1.990 -16.630 12.854 1.00 71.44 C ATOM 1976 CD GLN A 125 -0.571 -16.540 12.285 1.00 4.35 C ATOM 1977 OE1 GLN A 125 -0.124 -17.395 11.522 1.00 61.00 O ATOM 1978 NE2 GLN A 125 0.136 -15.496 12.639 1.00 3.11 N ATOM 0 H GLN A 125 -1.579 -14.833 10.295 1.00 70.15 H new ATOM 0 HA GLN A 125 -2.794 -17.329 10.410 1.00 22.24 H new ATOM 0 HB2 GLN A 125 -2.882 -14.820 12.086 1.00 23.32 H new ATOM 0 HB3 GLN A 125 -4.039 -16.085 12.448 1.00 23.32 H new ATOM 0 HG2 GLN A 125 -1.992 -16.218 13.863 1.00 71.44 H new ATOM 0 HG3 GLN A 125 -2.270 -17.680 12.938 1.00 71.44 H new ATOM 0 HE21 GLN A 125 -0.261 -14.803 13.273 1.00 3.11 H new ATOM 0 HE22 GLN A 125 1.083 -15.376 12.280 1.00 3.11 H new ATOM 1987 N ARG A 126 -4.907 -14.991 9.455 1.00 20.41 N ATOM 1988 CA ARG A 126 -6.200 -14.730 8.793 1.00 41.43 C ATOM 1989 C ARG A 126 -6.222 -15.312 7.352 1.00 4.15 C ATOM 1990 O ARG A 126 -7.243 -15.843 6.911 1.00 61.34 O ATOM 1991 CB ARG A 126 -6.462 -13.201 8.788 1.00 64.12 C ATOM 1992 CG ARG A 126 -7.753 -12.754 8.068 1.00 73.44 C ATOM 1993 CD ARG A 126 -8.051 -11.249 8.246 1.00 65.10 C ATOM 1994 NE ARG A 126 -9.001 -10.773 7.225 1.00 23.53 N ATOM 1995 CZ ARG A 126 -10.295 -10.472 7.406 1.00 31.32 C ATOM 1996 NH1 ARG A 126 -10.875 -10.586 8.600 1.00 53.14 N ATOM 1997 NH2 ARG A 126 -11.007 -10.069 6.365 1.00 75.10 N ATOM 0 H ARG A 126 -4.313 -14.165 9.521 1.00 20.41 H new ATOM 0 HA ARG A 126 -6.996 -15.229 9.346 1.00 41.43 H new ATOM 0 HB2 ARG A 126 -6.502 -12.853 9.820 1.00 64.12 H new ATOM 0 HB3 ARG A 126 -5.613 -12.705 8.317 1.00 64.12 H new ATOM 0 HG2 ARG A 126 -7.666 -12.979 7.005 1.00 73.44 H new ATOM 0 HG3 ARG A 126 -8.594 -13.333 8.449 1.00 73.44 H new ATOM 0 HD2 ARG A 126 -8.461 -11.071 9.240 1.00 65.10 H new ATOM 0 HD3 ARG A 126 -7.123 -10.681 8.178 1.00 65.10 H new ATOM 0 HE ARG A 126 -8.635 -10.660 6.280 1.00 23.53 H new ATOM 0 HH11 ARG A 126 -10.333 -10.908 9.402 1.00 53.14 H new ATOM 0 HH12 ARG A 126 -11.861 -10.351 8.712 1.00 53.14 H new ATOM 0 HH21 ARG A 126 -10.570 -9.992 5.447 1.00 75.10 H new ATOM 0 HH22 ARG A 126 -11.993 -9.835 6.481 1.00 75.10 H new ATOM 2011 N CYS A 127 -5.065 -15.261 6.662 1.00 24.04 N ATOM 2012 CA CYS A 127 -4.942 -15.618 5.228 1.00 74.34 C ATOM 2013 C CYS A 127 -4.963 -17.151 5.026 1.00 33.40 C ATOM 2014 O CYS A 127 -5.564 -17.656 4.071 1.00 54.21 O ATOM 2015 CB CYS A 127 -3.636 -15.010 4.663 1.00 4.51 C ATOM 2016 SG CYS A 127 -3.388 -15.266 2.902 1.00 52.55 S ATOM 0 H CYS A 127 -4.183 -14.970 7.083 1.00 24.04 H new ATOM 0 HA CYS A 127 -5.797 -15.209 4.689 1.00 74.34 H new ATOM 0 HB2 CYS A 127 -3.633 -13.939 4.864 1.00 4.51 H new ATOM 0 HB3 CYS A 127 -2.790 -15.438 5.201 1.00 4.51 H new ATOM 0 HG CYS A 127 -2.476 -16.174 2.720 1.00 52.55 H new ATOM 2022 N MET A 128 -4.322 -17.880 5.959 1.00 64.34 N ATOM 2023 CA MET A 128 -4.233 -19.348 5.913 1.00 15.21 C ATOM 2024 C MET A 128 -5.567 -19.991 6.329 1.00 4.41 C ATOM 2025 O MET A 128 -5.997 -20.957 5.705 1.00 72.40 O ATOM 2026 CB MET A 128 -3.072 -19.883 6.800 1.00 71.53 C ATOM 2027 CG MET A 128 -3.140 -19.483 8.287 1.00 23.33 C ATOM 2028 SD MET A 128 -2.024 -20.435 9.333 1.00 52.34 S ATOM 2029 CE MET A 128 -2.825 -22.040 9.334 1.00 45.30 C ATOM 0 H MET A 128 -3.852 -17.466 6.764 1.00 64.34 H new ATOM 0 HA MET A 128 -4.018 -19.627 4.881 1.00 15.21 H new ATOM 0 HB2 MET A 128 -3.058 -20.971 6.734 1.00 71.53 H new ATOM 0 HB3 MET A 128 -2.128 -19.526 6.388 1.00 71.53 H new ATOM 0 HG2 MET A 128 -2.901 -18.424 8.382 1.00 23.33 H new ATOM 0 HG3 MET A 128 -4.161 -19.613 8.645 1.00 23.33 H new ATOM 0 HE1 MET A 128 -2.662 -22.527 10.295 1.00 45.30 H new ATOM 0 HE2 MET A 128 -3.895 -21.913 9.168 1.00 45.30 H new ATOM 0 HE3 MET A 128 -2.405 -22.657 8.539 1.00 45.30 H new ATOM 2039 N MET A 129 -6.236 -19.447 7.375 1.00 51.50 N ATOM 2040 CA MET A 129 -7.544 -19.973 7.819 1.00 44.41 C ATOM 2041 C MET A 129 -8.626 -19.673 6.764 1.00 53.22 C ATOM 2042 O MET A 129 -9.610 -20.404 6.665 1.00 30.23 O ATOM 2043 CB MET A 129 -7.972 -19.405 9.202 1.00 34.35 C ATOM 2044 CG MET A 129 -8.357 -17.911 9.221 1.00 70.23 C ATOM 2045 SD MET A 129 -9.070 -17.382 10.796 1.00 5.32 S ATOM 2046 CE MET A 129 -10.593 -18.337 10.836 1.00 5.33 C ATOM 0 H MET A 129 -5.894 -18.655 7.919 1.00 51.50 H new ATOM 0 HA MET A 129 -7.435 -21.052 7.932 1.00 44.41 H new ATOM 0 HB2 MET A 129 -8.820 -19.985 9.566 1.00 34.35 H new ATOM 0 HB3 MET A 129 -7.155 -19.560 9.907 1.00 34.35 H new ATOM 0 HG2 MET A 129 -7.472 -17.311 9.010 1.00 70.23 H new ATOM 0 HG3 MET A 129 -9.072 -17.716 8.422 1.00 70.23 H new ATOM 0 HE1 MET A 129 -11.299 -17.867 11.520 1.00 5.33 H new ATOM 0 HE2 MET A 129 -11.026 -18.373 9.836 1.00 5.33 H new ATOM 0 HE3 MET A 129 -10.378 -19.350 11.176 1.00 5.33 H new ATOM 2056 N ALA A 130 -8.409 -18.600 5.970 1.00 42.40 N ATOM 2057 CA ALA A 130 -9.333 -18.169 4.910 1.00 12.51 C ATOM 2058 C ALA A 130 -9.476 -19.242 3.808 1.00 1.23 C ATOM 2059 O ALA A 130 -10.588 -19.493 3.326 1.00 2.31 O ATOM 2060 CB ALA A 130 -8.863 -16.834 4.319 1.00 73.22 C ATOM 0 H ALA A 130 -7.582 -18.009 6.052 1.00 42.40 H new ATOM 0 HA ALA A 130 -10.319 -18.032 5.353 1.00 12.51 H new ATOM 0 HB1 ALA A 130 -9.552 -16.521 3.535 1.00 73.22 H new ATOM 0 HB2 ALA A 130 -8.838 -16.078 5.103 1.00 73.22 H new ATOM 0 HB3 ALA A 130 -7.865 -16.954 3.898 1.00 73.22 H new ATOM 2066 N GLN A 131 -8.339 -19.867 3.412 1.00 62.34 N ATOM 2067 CA GLN A 131 -8.345 -21.002 2.453 1.00 33.03 C ATOM 2068 C GLN A 131 -8.776 -22.321 3.130 1.00 4.42 C ATOM 2069 O GLN A 131 -9.041 -23.308 2.439 1.00 12.24 O ATOM 2070 CB GLN A 131 -6.966 -21.168 1.723 1.00 65.05 C ATOM 2071 CG GLN A 131 -5.719 -21.166 2.625 1.00 52.43 C ATOM 2072 CD GLN A 131 -4.400 -21.417 1.876 1.00 32.24 C ATOM 2073 OE1 GLN A 131 -3.448 -22.061 2.539 1.00 13.00 O flip ATOM 2074 NE2 GLN A 131 -4.237 -21.045 0.711 1.00 41.53 N flip ATOM 0 H GLN A 131 -7.409 -19.606 3.740 1.00 62.34 H new ATOM 0 HA GLN A 131 -9.087 -20.761 1.692 1.00 33.03 H new ATOM 0 HB2 GLN A 131 -6.984 -22.104 1.164 1.00 65.05 H new ATOM 0 HB3 GLN A 131 -6.864 -20.364 0.995 1.00 65.05 H new ATOM 0 HG2 GLN A 131 -5.656 -20.206 3.137 1.00 52.43 H new ATOM 0 HG3 GLN A 131 -5.839 -21.930 3.393 1.00 52.43 H new ATOM 0 HE21 GLN A 131 -4.985 -20.552 0.224 1.00 41.53 H new ATOM 0 HE22 GLN A 131 -3.354 -21.231 0.235 1.00 41.53 H new ATOM 2083 N TYR A 132 -8.842 -22.346 4.478 1.00 64.10 N ATOM 2084 CA TYR A 132 -9.291 -23.540 5.241 1.00 23.41 C ATOM 2085 C TYR A 132 -10.698 -23.282 5.840 1.00 62.33 C ATOM 2086 O TYR A 132 -11.001 -23.708 6.962 1.00 41.13 O ATOM 2087 CB TYR A 132 -8.261 -23.890 6.367 1.00 33.11 C ATOM 2088 CG TYR A 132 -6.791 -24.044 5.923 1.00 34.12 C ATOM 2089 CD1 TYR A 132 -6.445 -24.362 4.606 1.00 31.21 C ATOM 2090 CD2 TYR A 132 -5.748 -23.844 6.832 1.00 71.14 C ATOM 2091 CE1 TYR A 132 -5.133 -24.472 4.213 1.00 71.13 C ATOM 2092 CE2 TYR A 132 -4.427 -23.958 6.441 1.00 24.13 C ATOM 2093 CZ TYR A 132 -4.124 -24.271 5.135 1.00 44.43 C ATOM 2094 OH TYR A 132 -2.806 -24.380 4.744 1.00 65.24 O ATOM 0 H TYR A 132 -8.590 -21.552 5.066 1.00 64.10 H new ATOM 0 HA TYR A 132 -9.351 -24.392 4.564 1.00 23.41 H new ATOM 0 HB2 TYR A 132 -8.309 -23.112 7.129 1.00 33.11 H new ATOM 0 HB3 TYR A 132 -8.575 -24.820 6.841 1.00 33.11 H new ATOM 0 HD1 TYR A 132 -7.228 -24.525 3.880 1.00 31.21 H new ATOM 0 HD2 TYR A 132 -5.978 -23.596 7.858 1.00 71.14 H new ATOM 0 HE1 TYR A 132 -4.892 -24.714 3.189 1.00 71.13 H new ATOM 0 HE2 TYR A 132 -3.635 -23.802 7.158 1.00 24.13 H new ATOM 0 HH TYR A 132 -2.641 -23.788 3.981 1.00 65.24 H new ATOM 2104 N ASN A 133 -11.559 -22.591 5.065 1.00 1.41 N ATOM 2105 CA ASN A 133 -12.976 -22.332 5.426 1.00 45.24 C ATOM 2106 C ASN A 133 -13.894 -23.229 4.553 1.00 73.22 C ATOM 2107 O ASN A 133 -14.287 -22.809 3.448 1.00 4.05 O ATOM 2108 CB ASN A 133 -13.325 -20.801 5.276 1.00 53.52 C ATOM 2109 CG ASN A 133 -13.127 -19.954 6.540 1.00 63.21 C ATOM 2110 OD1 ASN A 133 -12.198 -20.325 7.409 1.00 35.30 O flip ATOM 2111 ND2 ASN A 133 -13.822 -18.952 6.733 1.00 13.43 N flip ATOM 2112 OXT ASN A 133 -14.183 -24.370 4.962 1.00 38.26 O ATOM 0 H ASN A 133 -11.293 -22.193 4.164 1.00 1.41 H new ATOM 0 HA ASN A 133 -13.141 -22.586 6.473 1.00 45.24 H new ATOM 0 HB2 ASN A 133 -12.711 -20.382 4.479 1.00 53.52 H new ATOM 0 HB3 ASN A 133 -14.364 -20.712 4.959 1.00 53.52 H new ATOM 0 HD21 ASN A 133 -14.532 -18.684 6.051 1.00 13.43 H new ATOM 0 HD22 ASN A 133 -13.687 -18.392 7.575 1.00 13.43 H new