USER MOD reduce.3.24.130724 H: found=0, std=0, add=1080, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1082 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 16 TYR OH : rot 180:sc= 0.86 USER MOD Set 1.2: A 133 SER OG : rot -66:sc= -0.316 USER MOD Set 2.1: A 104 LYS NZ :NH3+ 169:sc= 0.203 (180deg=0) USER MOD Set 2.2: A 105 SER OG : rot 80:sc= 1.06 USER MOD Set 3.1: A 93 TYR OH : rot 50:sc= 0.517 USER MOD Set 3.2: A 131 ASN : amide:sc= 0.779 K(o=1.3,f=0.56) USER MOD Set 4.1: A 79 TYR OH : rot 101:sc= 1.34 USER MOD Set 4.2: A 106 HIS : no HE2:sc= 1.18 K(o=4.6,f=-7.7!) USER MOD Set 4.3: A 107 CYS SG : rot 69:sc= 1.45 USER MOD Set 4.4: A 110 ASN :FLIP amide:sc= 0.617 F(o=0.6!,f=4.6) USER MOD Set 5.1: A 61 GLN : amide:sc= 0.79 K(o=-0.13,f=-5.5!) USER MOD Set 5.2: A 63 LYS NZ :NH3+ -145:sc= -0.921 (180deg=-2.74!) USER MOD Set 6.1: A 26 LYS NZ :NH3+ 167:sc= 1.23 (180deg=-0.0908) USER MOD Set 6.2: A 27 THR OG1 : rot 180:sc= 0.968 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot -108:sc= 3.34 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0078 USER MOD Single : A 32 HIS : no HD1:sc= -0.287 K(o=-0.28,f=-1.2) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.0278 USER MOD Single : A 35 SER OG : rot 170:sc= 0 USER MOD Single : A 38 CYS SG : rot -2:sc= -1.86! USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc=-0.00254 (180deg=-0.00254) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= -0.0143 (180deg=-0.216) USER MOD Single : A 51 LYS NZ :NH3+ 173:sc=-0.00947 (180deg=-0.0743) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.579 F(o=-1.2,f=-0.58) USER MOD Single : A 60 ASN : amide:sc= -0.0127 K(o=-0.013,f=-0.94) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 85:sc= 0.731 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -103:sc= 0.00634 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -3.36! C(o=-4!,f=-3.4!) USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= 1.12 (180deg=1.06) USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.95! USER MOD Single : A 95 ASN : amide:sc= -0.424 K(o=-0.42,f=-5.7!) USER MOD Single : A 97 GLN : amide:sc= -0.0543 K(o=-0.054,f=-3.1!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 72:sc= 1.18 USER MOD Single : A 103 MET CE :methyl -141:sc= -0.212 (180deg=-1.22) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -107:sc= 1.27 USER MOD Single : A 117 MET CE :methyl -155:sc= -0.331 (180deg=-1.97) USER MOD Single : A 128 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.1) USER MOD Single : A 135 MET CE :methyl 153:sc= -0.154 (180deg=-0.927) USER MOD Single : A 143 THR OG1 : rot 28:sc= 0.449 USER MOD Single : A 146 LYS NZ :NH3+ -168:sc= 2.2 (180deg=1.86) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 165:sc= -1.52! USER MOD Single : A 151 THR OG1 : rot 180:sc= 0.0011 USER MOD ----------------------------------------------------------------- ATOM 155 N ARG A 13 -7.146 1.332 -13.928 1.00 45.32 N ATOM 156 CA ARG A 13 -6.099 1.212 -12.944 1.00 44.25 C ATOM 157 C ARG A 13 -6.615 1.535 -11.568 1.00 22.41 C ATOM 158 O ARG A 13 -6.687 0.662 -10.724 1.00 51.41 O ATOM 159 CB ARG A 13 -4.867 2.054 -13.310 1.00 60.54 C ATOM 160 CG ARG A 13 -4.172 1.574 -14.568 1.00 53.12 C ATOM 161 CD ARG A 13 -3.651 0.158 -14.381 1.00 73.00 C ATOM 162 NE ARG A 13 -3.111 -0.418 -15.612 1.00 41.23 N ATOM 163 CZ ARG A 13 -3.446 -1.623 -16.110 1.00 43.42 C ATOM 164 NH1 ARG A 13 -4.388 -2.372 -15.505 1.00 34.44 N ATOM 165 NH2 ARG A 13 -2.846 -2.074 -17.210 1.00 70.12 N ATOM 0 HA ARG A 13 -5.771 0.173 -12.936 1.00 44.25 H new ATOM 0 HB2 ARG A 13 -5.170 3.092 -13.443 1.00 60.54 H new ATOM 0 HB3 ARG A 13 -4.160 2.032 -12.481 1.00 60.54 H new ATOM 0 HG2 ARG A 13 -4.866 1.605 -15.408 1.00 53.12 H new ATOM 0 HG3 ARG A 13 -3.346 2.242 -14.812 1.00 53.12 H new ATOM 0 HD2 ARG A 13 -2.875 0.160 -13.616 1.00 73.00 H new ATOM 0 HD3 ARG A 13 -4.459 -0.475 -14.014 1.00 73.00 H new ATOM 0 HE ARG A 13 -2.430 0.135 -16.132 1.00 41.23 H new ATOM 0 HH11 ARG A 13 -4.852 -2.027 -14.665 1.00 34.44 H new ATOM 0 HH12 ARG A 13 -4.637 -3.284 -15.887 1.00 34.44 H new ATOM 0 HH21 ARG A 13 -2.135 -1.507 -17.672 1.00 70.12 H new ATOM 0 HH22 ARG A 13 -3.097 -2.987 -17.590 1.00 70.12 H new ATOM 179 N ILE A 14 -7.005 2.757 -11.360 1.00 33.22 N ATOM 180 CA ILE A 14 -7.487 3.183 -10.075 1.00 40.21 C ATOM 181 C ILE A 14 -9.008 3.127 -10.035 1.00 41.24 C ATOM 182 O ILE A 14 -9.686 3.592 -10.952 1.00 43.44 O ATOM 183 CB ILE A 14 -7.022 4.627 -9.741 1.00 52.21 C ATOM 184 CG1 ILE A 14 -5.486 4.732 -9.765 1.00 31.11 C ATOM 185 CG2 ILE A 14 -7.574 5.081 -8.393 1.00 53.32 C ATOM 186 CD1 ILE A 14 -4.950 6.120 -9.447 1.00 65.52 C ATOM 0 H ILE A 14 -6.999 3.487 -12.072 1.00 33.22 H new ATOM 0 HA ILE A 14 -7.072 2.503 -9.331 1.00 40.21 H new ATOM 0 HB ILE A 14 -7.418 5.291 -10.510 1.00 52.21 H new ATOM 0 HG12 ILE A 14 -5.073 4.022 -9.048 1.00 31.11 H new ATOM 0 HG13 ILE A 14 -5.128 4.434 -10.750 1.00 31.11 H new ATOM 0 HG21 ILE A 14 -7.234 6.095 -8.183 1.00 53.32 H new ATOM 0 HG22 ILE A 14 -8.663 5.063 -8.421 1.00 53.32 H new ATOM 0 HG23 ILE A 14 -7.220 4.410 -7.610 1.00 53.32 H new ATOM 0 HD11 ILE A 14 -3.861 6.107 -9.485 1.00 65.52 H new ATOM 0 HD12 ILE A 14 -5.330 6.833 -10.178 1.00 65.52 H new ATOM 0 HD13 ILE A 14 -5.275 6.416 -8.449 1.00 65.52 H new ATOM 198 N THR A 15 -9.519 2.529 -9.009 1.00 4.32 N ATOM 199 CA THR A 15 -10.926 2.476 -8.741 1.00 44.45 C ATOM 200 C THR A 15 -11.125 2.884 -7.280 1.00 72.10 C ATOM 201 O THR A 15 -10.413 2.399 -6.398 1.00 51.31 O ATOM 202 CB THR A 15 -11.464 1.055 -9.017 1.00 10.21 C ATOM 203 OG1 THR A 15 -11.193 0.733 -10.399 1.00 14.11 O ATOM 204 CG2 THR A 15 -12.964 0.969 -8.772 1.00 40.41 C ATOM 0 H THR A 15 -8.954 2.047 -8.310 1.00 4.32 H new ATOM 0 HA THR A 15 -11.480 3.155 -9.390 1.00 44.45 H new ATOM 0 HB THR A 15 -10.972 0.354 -8.342 1.00 10.21 H new ATOM 0 HG1 THR A 15 -11.525 -0.168 -10.596 1.00 14.11 H new ATOM 0 HG21 THR A 15 -13.308 -0.045 -8.976 1.00 40.41 H new ATOM 0 HG22 THR A 15 -13.178 1.223 -7.734 1.00 40.41 H new ATOM 0 HG23 THR A 15 -13.481 1.667 -9.430 1.00 40.41 H new ATOM 212 N TYR A 16 -12.045 3.790 -7.032 1.00 72.24 N ATOM 213 CA TYR A 16 -12.216 4.343 -5.694 1.00 11.22 C ATOM 214 C TYR A 16 -13.357 3.708 -4.948 1.00 73.11 C ATOM 215 O TYR A 16 -14.482 3.623 -5.456 1.00 52.14 O ATOM 216 CB TYR A 16 -12.449 5.846 -5.747 1.00 53.04 C ATOM 217 CG TYR A 16 -11.349 6.627 -6.403 1.00 20.51 C ATOM 218 CD1 TYR A 16 -10.193 6.947 -5.713 1.00 3.42 C ATOM 219 CD2 TYR A 16 -11.478 7.062 -7.705 1.00 10.32 C ATOM 220 CE1 TYR A 16 -9.200 7.677 -6.311 1.00 14.24 C ATOM 221 CE2 TYR A 16 -10.489 7.790 -8.313 1.00 4.23 C ATOM 222 CZ TYR A 16 -9.354 8.097 -7.615 1.00 22.23 C ATOM 223 OH TYR A 16 -8.366 8.823 -8.215 1.00 3.25 O ATOM 0 H TYR A 16 -12.687 4.162 -7.732 1.00 72.24 H new ATOM 0 HA TYR A 16 -11.290 4.126 -5.162 1.00 11.22 H new ATOM 0 HB2 TYR A 16 -13.380 6.037 -6.280 1.00 53.04 H new ATOM 0 HB3 TYR A 16 -12.582 6.216 -4.730 1.00 53.04 H new ATOM 0 HD1 TYR A 16 -10.072 6.618 -4.692 1.00 3.42 H new ATOM 0 HD2 TYR A 16 -12.376 6.824 -8.256 1.00 10.32 H new ATOM 0 HE1 TYR A 16 -8.302 7.922 -5.764 1.00 14.24 H new ATOM 0 HE2 TYR A 16 -10.605 8.119 -9.335 1.00 4.23 H new ATOM 0 HH TYR A 16 -8.631 9.039 -9.134 1.00 3.25 H new ATOM 233 N VAL A 17 -13.082 3.295 -3.743 1.00 32.21 N ATOM 234 CA VAL A 17 -14.083 2.742 -2.869 1.00 52.14 C ATOM 235 C VAL A 17 -14.073 3.526 -1.572 1.00 33.43 C ATOM 236 O VAL A 17 -13.026 3.717 -0.962 1.00 13.34 O ATOM 237 CB VAL A 17 -13.835 1.244 -2.552 1.00 55.31 C ATOM 238 CG1 VAL A 17 -14.936 0.681 -1.662 1.00 42.54 C ATOM 239 CG2 VAL A 17 -13.709 0.423 -3.821 1.00 23.23 C ATOM 0 H VAL A 17 -12.148 3.332 -3.334 1.00 32.21 H new ATOM 0 HA VAL A 17 -15.046 2.814 -3.375 1.00 52.14 H new ATOM 0 HB VAL A 17 -12.890 1.179 -2.012 1.00 55.31 H new ATOM 0 HG11 VAL A 17 -14.736 -0.371 -1.456 1.00 42.54 H new ATOM 0 HG12 VAL A 17 -14.964 1.235 -0.724 1.00 42.54 H new ATOM 0 HG13 VAL A 17 -15.897 0.775 -2.168 1.00 42.54 H new ATOM 0 HG21 VAL A 17 -13.536 -0.622 -3.563 1.00 23.23 H new ATOM 0 HG22 VAL A 17 -14.628 0.506 -4.401 1.00 23.23 H new ATOM 0 HG23 VAL A 17 -12.872 0.794 -4.413 1.00 23.23 H new ATOM 249 N LYS A 18 -15.203 4.003 -1.183 1.00 52.55 N ATOM 250 CA LYS A 18 -15.330 4.720 0.048 1.00 4.53 C ATOM 251 C LYS A 18 -15.683 3.755 1.166 1.00 34.44 C ATOM 252 O LYS A 18 -16.714 3.073 1.122 1.00 23.33 O ATOM 253 CB LYS A 18 -16.341 5.869 -0.084 1.00 71.10 C ATOM 254 CG LYS A 18 -17.723 5.455 -0.558 1.00 62.02 C ATOM 255 CD LYS A 18 -18.624 6.657 -0.737 1.00 21.21 C ATOM 256 CE LYS A 18 -19.990 6.241 -1.232 1.00 41.14 C ATOM 257 NZ LYS A 18 -20.871 7.397 -1.460 1.00 31.10 N ATOM 0 H LYS A 18 -16.072 3.909 -1.708 1.00 52.55 H new ATOM 0 HA LYS A 18 -14.375 5.183 0.298 1.00 4.53 H new ATOM 0 HB2 LYS A 18 -16.437 6.361 0.884 1.00 71.10 H new ATOM 0 HB3 LYS A 18 -15.941 6.607 -0.779 1.00 71.10 H new ATOM 0 HG2 LYS A 18 -17.640 4.916 -1.502 1.00 62.02 H new ATOM 0 HG3 LYS A 18 -18.167 4.769 0.163 1.00 62.02 H new ATOM 0 HD2 LYS A 18 -18.722 7.187 0.211 1.00 21.21 H new ATOM 0 HD3 LYS A 18 -18.173 7.352 -1.445 1.00 21.21 H new ATOM 0 HE2 LYS A 18 -19.883 5.678 -2.159 1.00 41.14 H new ATOM 0 HE3 LYS A 18 -20.451 5.572 -0.505 1.00 41.14 H new ATOM 0 HZ1 LYS A 18 -21.797 7.066 -1.799 1.00 31.10 H new ATOM 0 HZ2 LYS A 18 -20.995 7.920 -0.570 1.00 31.10 H new ATOM 0 HZ3 LYS A 18 -20.445 8.023 -2.173 1.00 31.10 H new ATOM 271 N GLY A 19 -14.812 3.665 2.126 1.00 11.03 N ATOM 272 CA GLY A 19 -14.990 2.766 3.223 1.00 34.31 C ATOM 273 C GLY A 19 -13.764 2.749 4.079 1.00 53.10 C ATOM 274 O GLY A 19 -13.131 3.796 4.267 1.00 2.31 O ATOM 0 H GLY A 19 -13.955 4.216 2.169 1.00 11.03 H new ATOM 0 HA2 GLY A 19 -15.853 3.070 3.816 1.00 34.31 H new ATOM 0 HA3 GLY A 19 -15.197 1.763 2.851 1.00 34.31 H new ATOM 278 N ASP A 20 -13.397 1.591 4.569 1.00 53.11 N ATOM 279 CA ASP A 20 -12.224 1.484 5.424 1.00 21.30 C ATOM 280 C ASP A 20 -11.113 0.821 4.640 1.00 33.00 C ATOM 281 O ASP A 20 -11.370 -0.076 3.829 1.00 1.23 O ATOM 282 CB ASP A 20 -12.531 0.648 6.673 1.00 13.55 C ATOM 283 CG ASP A 20 -11.455 0.765 7.745 1.00 52.22 C ATOM 284 OD1 ASP A 20 -10.384 0.147 7.621 1.00 34.31 O ATOM 285 OD2 ASP A 20 -11.679 1.505 8.730 1.00 62.21 O ATOM 0 H ASP A 20 -13.884 0.711 4.397 1.00 53.11 H new ATOM 0 HA ASP A 20 -11.926 2.482 5.744 1.00 21.30 H new ATOM 0 HB2 ASP A 20 -13.487 0.964 7.089 1.00 13.55 H new ATOM 0 HB3 ASP A 20 -12.639 -0.398 6.386 1.00 13.55 H new ATOM 290 N LEU A 21 -9.900 1.235 4.880 1.00 74.01 N ATOM 291 CA LEU A 21 -8.748 0.704 4.187 1.00 2.33 C ATOM 292 C LEU A 21 -8.494 -0.763 4.583 1.00 21.33 C ATOM 293 O LEU A 21 -7.959 -1.541 3.802 1.00 54.21 O ATOM 294 CB LEU A 21 -7.535 1.647 4.425 1.00 22.52 C ATOM 295 CG LEU A 21 -6.152 1.310 3.810 1.00 11.40 C ATOM 296 CD1 LEU A 21 -5.428 0.196 4.560 1.00 61.04 C ATOM 297 CD2 LEU A 21 -6.265 0.976 2.332 1.00 4.13 C ATOM 0 H LEU A 21 -9.676 1.956 5.566 1.00 74.01 H new ATOM 0 HA LEU A 21 -8.927 0.678 3.112 1.00 2.33 H new ATOM 0 HB2 LEU A 21 -7.818 2.635 4.062 1.00 22.52 H new ATOM 0 HB3 LEU A 21 -7.397 1.731 5.503 1.00 22.52 H new ATOM 0 HG LEU A 21 -5.547 2.211 3.914 1.00 11.40 H new ATOM 0 HD11 LEU A 21 -4.466 0.003 4.085 1.00 61.04 H new ATOM 0 HD12 LEU A 21 -5.267 0.499 5.595 1.00 61.04 H new ATOM 0 HD13 LEU A 21 -6.032 -0.711 4.537 1.00 61.04 H new ATOM 0 HD21 LEU A 21 -5.277 0.745 1.935 1.00 4.13 H new ATOM 0 HD22 LEU A 21 -6.919 0.113 2.203 1.00 4.13 H new ATOM 0 HD23 LEU A 21 -6.681 1.830 1.797 1.00 4.13 H new ATOM 309 N PHE A 22 -8.914 -1.142 5.765 1.00 42.10 N ATOM 310 CA PHE A 22 -8.761 -2.509 6.217 1.00 24.44 C ATOM 311 C PHE A 22 -9.980 -3.359 5.890 1.00 64.12 C ATOM 312 O PHE A 22 -10.034 -4.538 6.224 1.00 33.41 O ATOM 313 CB PHE A 22 -8.408 -2.590 7.701 1.00 44.53 C ATOM 314 CG PHE A 22 -6.987 -2.207 8.017 1.00 21.35 C ATOM 315 CD1 PHE A 22 -6.628 -0.893 8.289 1.00 72.45 C ATOM 316 CD2 PHE A 22 -6.003 -3.180 8.049 1.00 44.33 C ATOM 317 CE1 PHE A 22 -5.324 -0.572 8.584 1.00 71.14 C ATOM 318 CE2 PHE A 22 -4.699 -2.860 8.341 1.00 45.42 C ATOM 319 CZ PHE A 22 -4.361 -1.557 8.612 1.00 73.42 C ATOM 0 H PHE A 22 -9.367 -0.522 6.437 1.00 42.10 H new ATOM 0 HA PHE A 22 -7.919 -2.923 5.663 1.00 24.44 H new ATOM 0 HB2 PHE A 22 -9.081 -1.939 8.259 1.00 44.53 H new ATOM 0 HB3 PHE A 22 -8.585 -3.607 8.050 1.00 44.53 H new ATOM 0 HD1 PHE A 22 -7.379 -0.117 8.269 1.00 72.45 H new ATOM 0 HD2 PHE A 22 -6.264 -4.207 7.841 1.00 44.33 H new ATOM 0 HE1 PHE A 22 -5.054 0.453 8.794 1.00 71.14 H new ATOM 0 HE2 PHE A 22 -3.943 -3.631 8.357 1.00 45.42 H new ATOM 0 HZ PHE A 22 -3.338 -1.304 8.848 1.00 73.42 H new ATOM 329 N ALA A 23 -10.942 -2.772 5.207 1.00 74.20 N ATOM 330 CA ALA A 23 -12.133 -3.501 4.775 1.00 72.14 C ATOM 331 C ALA A 23 -11.912 -4.056 3.367 1.00 44.50 C ATOM 332 O ALA A 23 -12.851 -4.487 2.685 1.00 45.42 O ATOM 333 CB ALA A 23 -13.348 -2.590 4.807 1.00 74.32 C ATOM 0 H ALA A 23 -10.928 -1.789 4.935 1.00 74.20 H new ATOM 0 HA ALA A 23 -12.313 -4.332 5.457 1.00 72.14 H new ATOM 0 HB1 ALA A 23 -14.228 -3.146 4.483 1.00 74.32 H new ATOM 0 HB2 ALA A 23 -13.503 -2.225 5.822 1.00 74.32 H new ATOM 0 HB3 ALA A 23 -13.186 -1.744 4.139 1.00 74.32 H new ATOM 339 N CYS A 24 -10.666 -4.053 2.962 1.00 64.51 N ATOM 340 CA CYS A 24 -10.241 -4.538 1.671 1.00 22.54 C ATOM 341 C CYS A 24 -10.272 -6.077 1.606 1.00 21.20 C ATOM 342 O CYS A 24 -10.158 -6.752 2.650 1.00 24.20 O ATOM 343 CB CYS A 24 -8.840 -3.997 1.384 1.00 2.41 C ATOM 344 SG CYS A 24 -7.670 -4.247 2.743 1.00 13.12 S ATOM 0 H CYS A 24 -9.899 -3.704 3.536 1.00 64.51 H new ATOM 0 HA CYS A 24 -10.933 -4.183 0.907 1.00 22.54 H new ATOM 0 HB2 CYS A 24 -8.450 -4.480 0.488 1.00 2.41 H new ATOM 0 HB3 CYS A 24 -8.909 -2.931 1.167 1.00 2.41 H new ATOM 0 HG CYS A 24 -7.428 -3.109 3.322 1.00 13.12 H new ATOM 350 N PRO A 25 -10.454 -6.651 0.397 1.00 14.44 N ATOM 351 CA PRO A 25 -10.479 -8.106 0.193 1.00 72.32 C ATOM 352 C PRO A 25 -9.114 -8.772 0.446 1.00 72.12 C ATOM 353 O PRO A 25 -8.077 -8.119 0.487 1.00 43.54 O ATOM 354 CB PRO A 25 -10.868 -8.276 -1.286 1.00 34.15 C ATOM 355 CG PRO A 25 -11.340 -6.936 -1.737 1.00 24.45 C ATOM 356 CD PRO A 25 -10.654 -5.928 -0.871 1.00 72.43 C ATOM 0 HA PRO A 25 -11.169 -8.580 0.891 1.00 72.32 H new ATOM 0 HB2 PRO A 25 -10.017 -8.611 -1.879 1.00 34.15 H new ATOM 0 HB3 PRO A 25 -11.651 -9.026 -1.401 1.00 34.15 H new ATOM 0 HG2 PRO A 25 -11.098 -6.773 -2.787 1.00 24.45 H new ATOM 0 HG3 PRO A 25 -12.423 -6.855 -1.643 1.00 24.45 H new ATOM 0 HD2 PRO A 25 -9.707 -5.604 -1.303 1.00 72.43 H new ATOM 0 HD3 PRO A 25 -11.263 -5.035 -0.733 1.00 72.43 H new ATOM 364 N LYS A 26 -9.130 -10.069 0.664 1.00 52.25 N ATOM 365 CA LYS A 26 -7.904 -10.835 0.887 1.00 52.53 C ATOM 366 C LYS A 26 -7.102 -11.081 -0.408 1.00 41.44 C ATOM 367 O LYS A 26 -5.927 -11.452 -0.360 1.00 73.13 O ATOM 368 CB LYS A 26 -8.223 -12.163 1.632 1.00 25.33 C ATOM 369 CG LYS A 26 -9.153 -13.168 0.903 1.00 2.34 C ATOM 370 CD LYS A 26 -8.454 -13.910 -0.234 1.00 32.14 C ATOM 371 CE LYS A 26 -9.382 -14.884 -0.947 1.00 1.03 C ATOM 372 NZ LYS A 26 -10.510 -14.204 -1.625 1.00 13.22 N ATOM 0 H LYS A 26 -9.983 -10.628 0.693 1.00 52.25 H new ATOM 0 HA LYS A 26 -7.257 -10.230 1.521 1.00 52.53 H new ATOM 0 HB2 LYS A 26 -7.281 -12.667 1.847 1.00 25.33 H new ATOM 0 HB3 LYS A 26 -8.677 -11.914 2.591 1.00 25.33 H new ATOM 0 HG2 LYS A 26 -9.532 -13.893 1.624 1.00 2.34 H new ATOM 0 HG3 LYS A 26 -10.015 -12.634 0.505 1.00 2.34 H new ATOM 0 HD2 LYS A 26 -8.068 -13.187 -0.953 1.00 32.14 H new ATOM 0 HD3 LYS A 26 -7.597 -14.453 0.163 1.00 32.14 H new ATOM 0 HE2 LYS A 26 -8.811 -15.452 -1.681 1.00 1.03 H new ATOM 0 HE3 LYS A 26 -9.775 -15.600 -0.225 1.00 1.03 H new ATOM 0 HZ1 LYS A 26 -10.981 -14.871 -2.269 1.00 13.22 H new ATOM 0 HZ2 LYS A 26 -11.192 -13.870 -0.914 1.00 13.22 H new ATOM 0 HZ3 LYS A 26 -10.151 -13.393 -2.168 1.00 13.22 H new ATOM 386 N THR A 27 -7.753 -10.891 -1.542 1.00 23.11 N ATOM 387 CA THR A 27 -7.226 -11.241 -2.833 1.00 63.22 C ATOM 388 C THR A 27 -6.179 -10.206 -3.379 1.00 71.11 C ATOM 389 O THR A 27 -5.395 -10.513 -4.289 1.00 4.12 O ATOM 390 CB THR A 27 -8.432 -11.305 -3.787 1.00 64.03 C ATOM 391 OG1 THR A 27 -9.506 -12.059 -3.155 1.00 0.14 O ATOM 392 CG2 THR A 27 -8.067 -11.992 -5.058 1.00 63.42 C ATOM 0 H THR A 27 -8.685 -10.478 -1.583 1.00 23.11 H new ATOM 0 HA THR A 27 -6.694 -12.189 -2.756 1.00 63.22 H new ATOM 0 HB THR A 27 -8.749 -10.285 -4.006 1.00 64.03 H new ATOM 0 HG1 THR A 27 -10.276 -12.100 -3.759 1.00 0.14 H new ATOM 0 HG21 THR A 27 -8.935 -12.025 -5.716 1.00 63.42 H new ATOM 0 HG22 THR A 27 -7.261 -11.446 -5.548 1.00 63.42 H new ATOM 0 HG23 THR A 27 -7.738 -13.008 -4.841 1.00 63.42 H new ATOM 400 N ASP A 28 -6.145 -9.045 -2.802 1.00 50.20 N ATOM 401 CA ASP A 28 -5.252 -7.972 -3.248 1.00 10.55 C ATOM 402 C ASP A 28 -4.192 -7.691 -2.200 1.00 72.43 C ATOM 403 O ASP A 28 -4.349 -8.066 -1.024 1.00 22.34 O ATOM 404 CB ASP A 28 -6.074 -6.704 -3.500 1.00 62.33 C ATOM 405 CG ASP A 28 -6.852 -6.290 -2.297 1.00 51.25 C ATOM 406 OD1 ASP A 28 -7.989 -6.742 -2.154 1.00 42.43 O ATOM 407 OD2 ASP A 28 -6.322 -5.543 -1.480 1.00 35.22 O ATOM 0 H ASP A 28 -6.730 -8.794 -2.005 1.00 50.20 H new ATOM 0 HA ASP A 28 -4.757 -8.283 -4.168 1.00 10.55 H new ATOM 0 HB2 ASP A 28 -5.408 -5.894 -3.796 1.00 62.33 H new ATOM 0 HB3 ASP A 28 -6.757 -6.875 -4.332 1.00 62.33 H new ATOM 412 N SER A 29 -3.105 -7.073 -2.611 1.00 62.43 N ATOM 413 CA SER A 29 -2.069 -6.684 -1.690 1.00 0.11 C ATOM 414 C SER A 29 -2.262 -5.223 -1.321 1.00 55.03 C ATOM 415 O SER A 29 -2.960 -4.511 -2.015 1.00 51.31 O ATOM 416 CB SER A 29 -0.687 -6.964 -2.268 1.00 43.11 C ATOM 417 OG SER A 29 -0.532 -8.356 -2.522 1.00 43.11 O ATOM 0 H SER A 29 -2.919 -6.830 -3.584 1.00 62.43 H new ATOM 0 HA SER A 29 -2.140 -7.280 -0.780 1.00 0.11 H new ATOM 0 HB2 SER A 29 -0.550 -6.401 -3.191 1.00 43.11 H new ATOM 0 HB3 SER A 29 0.081 -6.626 -1.572 1.00 43.11 H new ATOM 0 HG SER A 29 0.359 -8.523 -2.895 1.00 43.11 H new ATOM 423 N LEU A 30 -1.628 -4.764 -0.272 1.00 24.21 N ATOM 424 CA LEU A 30 -1.945 -3.445 0.219 1.00 4.10 C ATOM 425 C LEU A 30 -0.683 -2.593 0.228 1.00 25.50 C ATOM 426 O LEU A 30 0.397 -3.077 0.555 1.00 15.35 O ATOM 427 CB LEU A 30 -2.536 -3.603 1.636 1.00 22.43 C ATOM 428 CG LEU A 30 -3.412 -2.471 2.204 1.00 31.20 C ATOM 429 CD1 LEU A 30 -3.990 -2.909 3.521 1.00 2.42 C ATOM 430 CD2 LEU A 30 -2.643 -1.175 2.377 1.00 30.25 C ATOM 0 H LEU A 30 -0.908 -5.267 0.247 1.00 24.21 H new ATOM 0 HA LEU A 30 -2.673 -2.945 -0.420 1.00 4.10 H new ATOM 0 HB2 LEU A 30 -3.130 -4.517 1.646 1.00 22.43 H new ATOM 0 HB3 LEU A 30 -1.705 -3.755 2.325 1.00 22.43 H new ATOM 0 HG LEU A 30 -4.209 -2.273 1.488 1.00 31.20 H new ATOM 0 HD11 LEU A 30 -4.612 -2.112 3.929 1.00 2.42 H new ATOM 0 HD12 LEU A 30 -4.597 -3.802 3.373 1.00 2.42 H new ATOM 0 HD13 LEU A 30 -3.181 -3.131 4.217 1.00 2.42 H new ATOM 0 HD21 LEU A 30 -3.306 -0.410 2.780 1.00 30.25 H new ATOM 0 HD22 LEU A 30 -1.812 -1.334 3.064 1.00 30.25 H new ATOM 0 HD23 LEU A 30 -2.257 -0.849 1.411 1.00 30.25 H new ATOM 442 N ALA A 31 -0.824 -1.339 -0.125 1.00 10.33 N ATOM 443 CA ALA A 31 0.291 -0.429 -0.194 1.00 4.43 C ATOM 444 C ALA A 31 -0.032 0.899 0.498 1.00 13.03 C ATOM 445 O ALA A 31 -1.183 1.286 0.596 1.00 73.14 O ATOM 446 CB ALA A 31 0.651 -0.188 -1.653 1.00 22.44 C ATOM 0 H ALA A 31 -1.720 -0.920 -0.374 1.00 10.33 H new ATOM 0 HA ALA A 31 1.139 -0.875 0.326 1.00 4.43 H new ATOM 0 HB1 ALA A 31 1.494 0.500 -1.711 1.00 22.44 H new ATOM 0 HB2 ALA A 31 0.922 -1.134 -2.122 1.00 22.44 H new ATOM 0 HB3 ALA A 31 -0.205 0.243 -2.173 1.00 22.44 H new ATOM 452 N HIS A 32 0.993 1.559 1.019 1.00 52.11 N ATOM 453 CA HIS A 32 0.868 2.904 1.592 1.00 13.23 C ATOM 454 C HIS A 32 2.246 3.488 1.832 1.00 4.04 C ATOM 455 O HIS A 32 3.234 2.772 1.766 1.00 21.42 O ATOM 456 CB HIS A 32 0.002 2.960 2.876 1.00 11.00 C ATOM 457 CG HIS A 32 0.536 2.198 4.026 1.00 21.03 C ATOM 458 ND1 HIS A 32 1.420 2.738 4.941 1.00 72.35 N ATOM 459 CD2 HIS A 32 0.311 0.935 4.418 1.00 23.32 C ATOM 460 CE1 HIS A 32 1.715 1.837 5.837 1.00 24.33 C ATOM 461 NE2 HIS A 32 1.058 0.730 5.550 1.00 13.31 N ATOM 0 H HIS A 32 1.940 1.181 1.059 1.00 52.11 H new ATOM 0 HA HIS A 32 0.334 3.511 0.861 1.00 13.23 H new ATOM 0 HB2 HIS A 32 -0.113 4.002 3.173 1.00 11.00 H new ATOM 0 HB3 HIS A 32 -0.994 2.583 2.641 1.00 11.00 H new ATOM 0 HD2 HIS A 32 -0.335 0.217 3.935 1.00 23.32 H new ATOM 0 HE1 HIS A 32 2.385 1.974 6.673 1.00 24.33 H new ATOM 0 HE2 HIS A 32 1.099 -0.138 6.084 1.00 13.31 H new ATOM 470 N CYS A 33 2.314 4.752 2.134 1.00 1.24 N ATOM 471 CA CYS A 33 3.593 5.405 2.290 1.00 53.43 C ATOM 472 C CYS A 33 3.991 5.574 3.754 1.00 65.31 C ATOM 473 O CYS A 33 3.125 5.600 4.654 1.00 61.30 O ATOM 474 CB CYS A 33 3.592 6.749 1.565 1.00 0.12 C ATOM 475 SG CYS A 33 2.295 7.896 2.083 1.00 51.24 S ATOM 0 H CYS A 33 1.504 5.355 2.278 1.00 1.24 H new ATOM 0 HA CYS A 33 4.344 4.758 1.838 1.00 53.43 H new ATOM 0 HB2 CYS A 33 4.560 7.227 1.716 1.00 0.12 H new ATOM 0 HB3 CYS A 33 3.489 6.567 0.495 1.00 0.12 H new ATOM 0 HG CYS A 33 2.395 8.999 1.403 1.00 51.24 H new ATOM 481 N ILE A 34 5.301 5.614 3.979 1.00 63.24 N ATOM 482 CA ILE A 34 5.925 5.855 5.281 1.00 74.41 C ATOM 483 C ILE A 34 7.209 6.658 5.067 1.00 71.42 C ATOM 484 O ILE A 34 7.640 6.845 3.922 1.00 22.51 O ATOM 485 CB ILE A 34 6.285 4.561 6.062 1.00 64.52 C ATOM 486 CG1 ILE A 34 7.238 3.689 5.263 1.00 71.12 C ATOM 487 CG2 ILE A 34 5.043 3.790 6.470 1.00 4.03 C ATOM 488 CD1 ILE A 34 7.754 2.509 6.040 1.00 44.14 C ATOM 0 H ILE A 34 5.984 5.475 3.234 1.00 63.24 H new ATOM 0 HA ILE A 34 5.191 6.393 5.881 1.00 74.41 H new ATOM 0 HB ILE A 34 6.794 4.861 6.978 1.00 64.52 H new ATOM 0 HG12 ILE A 34 6.729 3.332 4.368 1.00 71.12 H new ATOM 0 HG13 ILE A 34 8.082 4.294 4.931 1.00 71.12 H new ATOM 0 HG21 ILE A 34 5.335 2.892 7.014 1.00 4.03 H new ATOM 0 HG22 ILE A 34 4.420 4.415 7.110 1.00 4.03 H new ATOM 0 HG23 ILE A 34 4.481 3.509 5.580 1.00 4.03 H new ATOM 0 HD11 ILE A 34 8.429 1.927 5.412 1.00 44.14 H new ATOM 0 HD12 ILE A 34 8.290 2.860 6.922 1.00 44.14 H new ATOM 0 HD13 ILE A 34 6.917 1.883 6.350 1.00 44.14 H new ATOM 500 N SER A 35 7.793 7.141 6.136 1.00 73.11 N ATOM 501 CA SER A 35 9.019 7.894 6.050 1.00 11.20 C ATOM 502 C SER A 35 10.239 6.969 6.217 1.00 41.33 C ATOM 503 O SER A 35 10.085 5.783 6.565 1.00 1.12 O ATOM 504 CB SER A 35 9.014 8.977 7.117 1.00 42.13 C ATOM 505 OG SER A 35 8.839 8.421 8.424 1.00 4.44 O ATOM 0 H SER A 35 7.435 7.024 7.084 1.00 73.11 H new ATOM 0 HA SER A 35 9.089 8.358 5.066 1.00 11.20 H new ATOM 0 HB2 SER A 35 9.951 9.532 7.079 1.00 42.13 H new ATOM 0 HB3 SER A 35 8.214 9.688 6.912 1.00 42.13 H new ATOM 0 HG SER A 35 9.000 9.114 9.098 1.00 4.44 H new ATOM 511 N GLU A 36 11.444 7.516 6.006 1.00 53.50 N ATOM 512 CA GLU A 36 12.686 6.736 6.110 1.00 75.24 C ATOM 513 C GLU A 36 12.963 6.356 7.569 1.00 53.04 C ATOM 514 O GLU A 36 13.664 5.386 7.856 1.00 32.10 O ATOM 515 CB GLU A 36 13.876 7.524 5.554 1.00 2.23 C ATOM 516 CG GLU A 36 13.656 8.091 4.179 1.00 53.32 C ATOM 517 CD GLU A 36 14.864 8.787 3.634 1.00 34.24 C ATOM 518 OE1 GLU A 36 15.597 9.430 4.400 1.00 55.11 O ATOM 519 OE2 GLU A 36 15.082 8.721 2.416 1.00 41.25 O ATOM 0 H GLU A 36 11.586 8.496 5.762 1.00 53.50 H new ATOM 0 HA GLU A 36 12.557 5.828 5.520 1.00 75.24 H new ATOM 0 HB2 GLU A 36 14.107 8.341 6.238 1.00 2.23 H new ATOM 0 HB3 GLU A 36 14.749 6.872 5.530 1.00 2.23 H new ATOM 0 HG2 GLU A 36 13.370 7.286 3.501 1.00 53.32 H new ATOM 0 HG3 GLU A 36 12.822 8.792 4.210 1.00 53.32 H new ATOM 526 N ASP A 37 12.418 7.144 8.489 1.00 62.41 N ATOM 527 CA ASP A 37 12.555 6.860 9.922 1.00 4.22 C ATOM 528 C ASP A 37 11.504 5.877 10.345 1.00 64.42 C ATOM 529 O ASP A 37 11.643 5.216 11.379 1.00 52.40 O ATOM 530 CB ASP A 37 12.386 8.118 10.787 1.00 31.34 C ATOM 531 CG ASP A 37 13.380 9.217 10.519 1.00 21.11 C ATOM 532 OD1 ASP A 37 14.586 9.011 10.761 1.00 71.22 O ATOM 533 OD2 ASP A 37 12.959 10.324 10.105 1.00 73.31 O ATOM 0 H ASP A 37 11.878 7.982 8.274 1.00 62.41 H new ATOM 0 HA ASP A 37 13.560 6.463 10.068 1.00 4.22 H new ATOM 0 HB2 ASP A 37 11.382 8.513 10.634 1.00 31.34 H new ATOM 0 HB3 ASP A 37 12.459 7.831 11.836 1.00 31.34 H new ATOM 538 N CYS A 38 10.442 5.795 9.541 1.00 65.52 N ATOM 539 CA CYS A 38 9.303 4.935 9.801 1.00 21.44 C ATOM 540 C CYS A 38 8.650 5.282 11.141 1.00 52.24 C ATOM 541 O CYS A 38 8.246 4.418 11.881 1.00 44.54 O ATOM 542 CB CYS A 38 9.728 3.462 9.743 1.00 51.33 C ATOM 543 SG CYS A 38 10.423 2.976 8.145 1.00 62.42 S ATOM 0 H CYS A 38 10.355 6.335 8.680 1.00 65.52 H new ATOM 0 HA CYS A 38 8.555 5.100 9.026 1.00 21.44 H new ATOM 0 HB2 CYS A 38 10.465 3.273 10.524 1.00 51.33 H new ATOM 0 HB3 CYS A 38 8.864 2.834 9.961 1.00 51.33 H new ATOM 0 HG CYS A 38 10.383 3.987 7.329 1.00 62.42 H new ATOM 549 N ARG A 39 8.565 6.569 11.441 1.00 50.02 N ATOM 550 CA ARG A 39 7.883 7.023 12.649 1.00 52.12 C ATOM 551 C ARG A 39 6.371 6.900 12.489 1.00 32.35 C ATOM 552 O ARG A 39 5.769 7.672 11.725 1.00 14.11 O ATOM 553 CB ARG A 39 8.223 8.465 12.966 1.00 3.41 C ATOM 554 CG ARG A 39 9.685 8.726 13.215 1.00 1.12 C ATOM 555 CD ARG A 39 9.879 10.164 13.589 1.00 11.24 C ATOM 556 NE ARG A 39 11.292 10.534 13.713 1.00 25.01 N ATOM 557 CZ ARG A 39 11.745 11.795 13.741 1.00 12.54 C ATOM 558 NH1 ARG A 39 10.891 12.810 13.732 1.00 32.15 N ATOM 559 NH2 ARG A 39 13.048 12.033 13.794 1.00 63.05 N ATOM 0 H ARG A 39 8.957 7.317 10.869 1.00 50.02 H new ATOM 0 HA ARG A 39 8.222 6.389 13.468 1.00 52.12 H new ATOM 0 HB2 ARG A 39 7.891 9.093 12.139 1.00 3.41 H new ATOM 0 HB3 ARG A 39 7.658 8.772 13.846 1.00 3.41 H new ATOM 0 HG2 ARG A 39 10.050 8.079 14.013 1.00 1.12 H new ATOM 0 HG3 ARG A 39 10.265 8.490 12.323 1.00 1.12 H new ATOM 0 HD2 ARG A 39 9.407 10.797 12.837 1.00 11.24 H new ATOM 0 HD3 ARG A 39 9.373 10.360 14.534 1.00 11.24 H new ATOM 0 HE ARG A 39 11.977 9.781 13.783 1.00 25.01 H new ATOM 0 HH11 ARG A 39 9.887 12.632 13.704 1.00 32.15 H new ATOM 0 HH12 ARG A 39 11.238 13.769 13.753 1.00 32.15 H new ATOM 0 HH21 ARG A 39 13.708 11.256 13.814 1.00 63.05 H new ATOM 0 HH22 ARG A 39 13.391 12.994 13.815 1.00 63.05 H new ATOM 573 N MET A 40 5.749 5.953 13.159 1.00 65.33 N ATOM 574 CA MET A 40 4.311 5.858 13.055 1.00 34.31 C ATOM 575 C MET A 40 3.633 6.363 14.293 1.00 10.04 C ATOM 576 O MET A 40 3.452 5.623 15.267 1.00 64.45 O ATOM 577 CB MET A 40 3.755 4.467 12.735 1.00 44.13 C ATOM 578 CG MET A 40 4.248 3.798 11.520 1.00 63.01 C ATOM 579 SD MET A 40 5.777 2.956 11.782 1.00 3.34 S ATOM 580 CE MET A 40 5.940 2.251 10.188 1.00 63.01 C ATOM 0 H MET A 40 6.197 5.262 13.760 1.00 65.33 H new ATOM 0 HA MET A 40 4.086 6.489 12.195 1.00 34.31 H new ATOM 0 HB2 MET A 40 3.966 3.818 13.585 1.00 44.13 H new ATOM 0 HB3 MET A 40 2.671 4.549 12.657 1.00 44.13 H new ATOM 0 HG2 MET A 40 3.500 3.085 11.173 1.00 63.01 H new ATOM 0 HG3 MET A 40 4.375 4.537 10.729 1.00 63.01 H new ATOM 0 HE1 MET A 40 6.859 1.667 10.141 1.00 63.01 H new ATOM 0 HE2 MET A 40 5.087 1.602 9.988 1.00 63.01 H new ATOM 0 HE3 MET A 40 5.975 3.044 9.441 1.00 63.01 H new ATOM 590 N GLY A 41 3.301 7.611 14.277 1.00 1.22 N ATOM 591 CA GLY A 41 2.538 8.178 15.345 1.00 11.44 C ATOM 592 C GLY A 41 1.180 8.584 14.842 1.00 70.12 C ATOM 593 O GLY A 41 0.224 8.720 15.611 1.00 33.42 O ATOM 0 H GLY A 41 3.547 8.263 13.532 1.00 1.22 H new ATOM 0 HA2 GLY A 41 2.435 7.455 16.154 1.00 11.44 H new ATOM 0 HA3 GLY A 41 3.058 9.044 15.756 1.00 11.44 H new ATOM 597 N ALA A 42 1.092 8.740 13.538 1.00 41.25 N ATOM 598 CA ALA A 42 -0.107 9.198 12.880 1.00 74.15 C ATOM 599 C ALA A 42 -0.196 8.584 11.495 1.00 33.44 C ATOM 600 O ALA A 42 0.741 7.901 11.053 1.00 11.12 O ATOM 601 CB ALA A 42 -0.109 10.723 12.783 1.00 32.42 C ATOM 0 H ALA A 42 1.864 8.549 12.899 1.00 41.25 H new ATOM 0 HA ALA A 42 -0.974 8.888 13.464 1.00 74.15 H new ATOM 0 HB1 ALA A 42 -1.020 11.055 12.284 1.00 32.42 H new ATOM 0 HB2 ALA A 42 -0.067 11.151 13.784 1.00 32.42 H new ATOM 0 HB3 ALA A 42 0.758 11.052 12.211 1.00 32.42 H new ATOM 607 N GLY A 43 -1.316 8.791 10.837 1.00 25.35 N ATOM 608 CA GLY A 43 -1.493 8.314 9.491 1.00 3.41 C ATOM 609 C GLY A 43 -1.997 6.900 9.445 1.00 23.44 C ATOM 610 O GLY A 43 -2.416 6.343 10.468 1.00 42.13 O ATOM 0 H GLY A 43 -2.120 9.290 11.219 1.00 25.35 H new ATOM 0 HA2 GLY A 43 -2.194 8.964 8.968 1.00 3.41 H new ATOM 0 HA3 GLY A 43 -0.544 8.376 8.959 1.00 3.41 H new ATOM 614 N ILE A 44 -1.952 6.312 8.280 1.00 40.12 N ATOM 615 CA ILE A 44 -2.391 4.950 8.097 1.00 5.41 C ATOM 616 C ILE A 44 -1.303 3.983 8.554 1.00 43.41 C ATOM 617 O ILE A 44 -1.563 2.834 8.895 1.00 51.33 O ATOM 618 CB ILE A 44 -2.767 4.666 6.616 1.00 64.44 C ATOM 619 CG1 ILE A 44 -3.288 3.267 6.463 1.00 61.55 C ATOM 620 CG2 ILE A 44 -1.594 4.874 5.669 1.00 13.41 C ATOM 621 CD1 ILE A 44 -3.645 2.947 5.080 1.00 12.22 C ATOM 0 H ILE A 44 -1.611 6.761 7.430 1.00 40.12 H new ATOM 0 HA ILE A 44 -3.285 4.803 8.704 1.00 5.41 H new ATOM 0 HB ILE A 44 -3.544 5.382 6.349 1.00 64.44 H new ATOM 0 HG12 ILE A 44 -2.533 2.562 6.812 1.00 61.55 H new ATOM 0 HG13 ILE A 44 -4.163 3.138 7.099 1.00 61.55 H new ATOM 0 HG21 ILE A 44 -1.909 4.663 4.647 1.00 13.41 H new ATOM 0 HG22 ILE A 44 -1.250 5.906 5.737 1.00 13.41 H new ATOM 0 HG23 ILE A 44 -0.781 4.202 5.944 1.00 13.41 H new ATOM 0 HD11 ILE A 44 -4.016 1.923 5.027 1.00 12.22 H new ATOM 0 HD12 ILE A 44 -4.420 3.632 4.737 1.00 12.22 H new ATOM 0 HD13 ILE A 44 -2.765 3.047 4.445 1.00 12.22 H new ATOM 633 N ALA A 45 -0.084 4.469 8.588 1.00 51.54 N ATOM 634 CA ALA A 45 1.044 3.657 8.960 1.00 15.22 C ATOM 635 C ALA A 45 0.956 3.185 10.400 1.00 41.34 C ATOM 636 O ALA A 45 1.366 2.074 10.708 1.00 71.04 O ATOM 637 CB ALA A 45 2.331 4.389 8.716 1.00 62.33 C ATOM 0 H ALA A 45 0.150 5.435 8.359 1.00 51.54 H new ATOM 0 HA ALA A 45 1.025 2.769 8.328 1.00 15.22 H new ATOM 0 HB1 ALA A 45 3.170 3.756 9.004 1.00 62.33 H new ATOM 0 HB2 ALA A 45 2.412 4.639 7.658 1.00 62.33 H new ATOM 0 HB3 ALA A 45 2.347 5.304 9.308 1.00 62.33 H new ATOM 643 N VAL A 46 0.403 4.017 11.277 1.00 21.21 N ATOM 644 CA VAL A 46 0.270 3.646 12.678 1.00 52.14 C ATOM 645 C VAL A 46 -0.715 2.491 12.817 1.00 21.22 C ATOM 646 O VAL A 46 -0.589 1.660 13.683 1.00 13.50 O ATOM 647 CB VAL A 46 -0.114 4.833 13.596 1.00 23.44 C ATOM 648 CG1 VAL A 46 -1.545 5.309 13.393 1.00 11.00 C ATOM 649 CG2 VAL A 46 0.214 4.538 15.061 1.00 13.12 C ATOM 0 H VAL A 46 0.044 4.943 11.044 1.00 21.21 H new ATOM 0 HA VAL A 46 1.253 3.323 13.020 1.00 52.14 H new ATOM 0 HB VAL A 46 0.509 5.675 13.294 1.00 23.44 H new ATOM 0 HG11 VAL A 46 -1.750 6.142 14.066 1.00 11.00 H new ATOM 0 HG12 VAL A 46 -1.677 5.635 12.361 1.00 11.00 H new ATOM 0 HG13 VAL A 46 -2.234 4.492 13.606 1.00 11.00 H new ATOM 0 HG21 VAL A 46 -0.069 5.392 15.676 1.00 13.12 H new ATOM 0 HG22 VAL A 46 -0.339 3.657 15.387 1.00 13.12 H new ATOM 0 HG23 VAL A 46 1.283 4.354 15.165 1.00 13.12 H new ATOM 659 N LEU A 47 -1.687 2.453 11.952 1.00 5.44 N ATOM 660 CA LEU A 47 -2.645 1.346 11.928 1.00 62.51 C ATOM 661 C LEU A 47 -1.901 0.001 11.704 1.00 44.43 C ATOM 662 O LEU A 47 -2.208 -1.015 12.339 1.00 32.02 O ATOM 663 CB LEU A 47 -3.697 1.571 10.838 1.00 50.51 C ATOM 664 CG LEU A 47 -4.527 2.865 10.949 1.00 11.15 C ATOM 665 CD1 LEU A 47 -5.474 2.986 9.774 1.00 72.32 C ATOM 666 CD2 LEU A 47 -5.313 2.893 12.245 1.00 10.34 C ATOM 0 H LEU A 47 -1.851 3.170 11.245 1.00 5.44 H new ATOM 0 HA LEU A 47 -3.156 1.304 12.890 1.00 62.51 H new ATOM 0 HB2 LEU A 47 -3.194 1.569 9.871 1.00 50.51 H new ATOM 0 HB3 LEU A 47 -4.382 0.723 10.843 1.00 50.51 H new ATOM 0 HG LEU A 47 -3.837 3.709 10.941 1.00 11.15 H new ATOM 0 HD11 LEU A 47 -6.053 3.905 9.867 1.00 72.32 H new ATOM 0 HD12 LEU A 47 -4.902 3.010 8.847 1.00 72.32 H new ATOM 0 HD13 LEU A 47 -6.150 2.131 9.762 1.00 72.32 H new ATOM 0 HD21 LEU A 47 -5.891 3.816 12.300 1.00 10.34 H new ATOM 0 HD22 LEU A 47 -5.989 2.039 12.279 1.00 10.34 H new ATOM 0 HD23 LEU A 47 -4.625 2.845 13.089 1.00 10.34 H new ATOM 678 N PHE A 48 -0.892 0.030 10.826 1.00 72.01 N ATOM 679 CA PHE A 48 -0.054 -1.147 10.533 1.00 75.22 C ATOM 680 C PHE A 48 0.967 -1.378 11.641 1.00 44.43 C ATOM 681 O PHE A 48 1.415 -2.505 11.882 1.00 63.04 O ATOM 682 CB PHE A 48 0.629 -1.006 9.171 1.00 24.10 C ATOM 683 CG PHE A 48 -0.325 -1.079 8.013 1.00 33.42 C ATOM 684 CD1 PHE A 48 -1.199 -0.046 7.741 1.00 22.01 C ATOM 685 CD2 PHE A 48 -0.343 -2.190 7.195 1.00 75.14 C ATOM 686 CE1 PHE A 48 -2.070 -0.123 6.679 1.00 33.12 C ATOM 687 CE2 PHE A 48 -1.213 -2.270 6.132 1.00 61.25 C ATOM 688 CZ PHE A 48 -2.075 -1.233 5.878 1.00 12.51 C ATOM 0 H PHE A 48 -0.631 0.863 10.299 1.00 72.01 H new ATOM 0 HA PHE A 48 -0.703 -2.022 10.491 1.00 75.22 H new ATOM 0 HB2 PHE A 48 1.159 -0.054 9.136 1.00 24.10 H new ATOM 0 HB3 PHE A 48 1.377 -1.791 9.065 1.00 24.10 H new ATOM 0 HD1 PHE A 48 -1.199 0.833 8.369 1.00 22.01 H new ATOM 0 HD2 PHE A 48 0.335 -3.008 7.392 1.00 75.14 H new ATOM 0 HE1 PHE A 48 -2.749 0.692 6.477 1.00 33.12 H new ATOM 0 HE2 PHE A 48 -1.217 -3.146 5.500 1.00 61.25 H new ATOM 0 HZ PHE A 48 -2.759 -1.293 5.044 1.00 12.51 H new ATOM 698 N LYS A 49 1.317 -0.296 12.290 1.00 2.44 N ATOM 699 CA LYS A 49 2.217 -0.261 13.435 1.00 74.24 C ATOM 700 C LYS A 49 1.726 -1.224 14.521 1.00 62.41 C ATOM 701 O LYS A 49 2.502 -2.026 15.028 1.00 2.44 O ATOM 702 CB LYS A 49 2.210 1.177 13.929 1.00 22.14 C ATOM 703 CG LYS A 49 2.901 1.523 15.213 1.00 20.41 C ATOM 704 CD LYS A 49 4.381 1.396 15.146 1.00 72.43 C ATOM 705 CE LYS A 49 4.961 2.090 16.342 1.00 42.11 C ATOM 706 NZ LYS A 49 6.432 1.994 16.393 1.00 32.21 N ATOM 0 H LYS A 49 0.972 0.628 12.030 1.00 2.44 H new ATOM 0 HA LYS A 49 3.227 -0.575 13.170 1.00 74.24 H new ATOM 0 HB2 LYS A 49 2.651 1.793 13.145 1.00 22.14 H new ATOM 0 HB3 LYS A 49 1.168 1.483 14.027 1.00 22.14 H new ATOM 0 HG2 LYS A 49 2.645 2.546 15.490 1.00 20.41 H new ATOM 0 HG3 LYS A 49 2.525 0.875 16.004 1.00 20.41 H new ATOM 0 HD2 LYS A 49 4.673 0.346 15.136 1.00 72.43 H new ATOM 0 HD3 LYS A 49 4.760 1.841 14.226 1.00 72.43 H new ATOM 0 HE2 LYS A 49 4.669 3.140 16.326 1.00 42.11 H new ATOM 0 HE3 LYS A 49 4.540 1.656 17.249 1.00 42.11 H new ATOM 0 HZ1 LYS A 49 6.783 2.489 17.237 1.00 32.21 H new ATOM 0 HZ2 LYS A 49 6.713 0.994 16.436 1.00 32.21 H new ATOM 0 HZ3 LYS A 49 6.838 2.431 15.541 1.00 32.21 H new ATOM 720 N LYS A 50 0.442 -1.150 14.870 1.00 53.52 N ATOM 721 CA LYS A 50 -0.109 -2.077 15.839 1.00 45.45 C ATOM 722 C LYS A 50 -0.300 -3.471 15.255 1.00 43.54 C ATOM 723 O LYS A 50 0.128 -4.460 15.836 1.00 35.32 O ATOM 724 CB LYS A 50 -1.425 -1.607 16.465 1.00 25.10 C ATOM 725 CG LYS A 50 -1.329 -0.363 17.354 1.00 72.34 C ATOM 726 CD LYS A 50 -1.247 0.929 16.572 1.00 51.44 C ATOM 727 CE LYS A 50 -2.550 1.200 15.824 1.00 12.24 C ATOM 728 NZ LYS A 50 -3.690 1.433 16.729 1.00 33.04 N ATOM 0 H LYS A 50 -0.220 -0.468 14.500 1.00 53.52 H new ATOM 0 HA LYS A 50 0.637 -2.116 16.632 1.00 45.45 H new ATOM 0 HB2 LYS A 50 -2.136 -1.405 15.664 1.00 25.10 H new ATOM 0 HB3 LYS A 50 -1.837 -2.424 17.058 1.00 25.10 H new ATOM 0 HG2 LYS A 50 -2.198 -0.327 18.011 1.00 72.34 H new ATOM 0 HG3 LYS A 50 -0.450 -0.449 17.993 1.00 72.34 H new ATOM 0 HD2 LYS A 50 -1.034 1.756 17.250 1.00 51.44 H new ATOM 0 HD3 LYS A 50 -0.421 0.877 15.863 1.00 51.44 H new ATOM 0 HE2 LYS A 50 -2.420 2.070 15.180 1.00 12.24 H new ATOM 0 HE3 LYS A 50 -2.774 0.353 15.175 1.00 12.24 H new ATOM 0 HZ1 LYS A 50 -4.488 1.824 16.189 1.00 33.04 H new ATOM 0 HZ2 LYS A 50 -3.976 0.534 17.166 1.00 33.04 H new ATOM 0 HZ3 LYS A 50 -3.412 2.106 17.472 1.00 33.04 H new ATOM 742 N LYS A 51 -0.930 -3.531 14.088 1.00 53.53 N ATOM 743 CA LYS A 51 -1.306 -4.794 13.469 1.00 13.04 C ATOM 744 C LYS A 51 -0.160 -5.696 13.023 1.00 12.14 C ATOM 745 O LYS A 51 -0.233 -6.919 13.208 1.00 43.12 O ATOM 746 CB LYS A 51 -2.297 -4.581 12.350 1.00 4.00 C ATOM 747 CG LYS A 51 -3.666 -4.182 12.844 1.00 42.00 C ATOM 748 CD LYS A 51 -4.611 -3.972 11.702 1.00 63.54 C ATOM 749 CE LYS A 51 -6.033 -3.708 12.185 1.00 24.25 C ATOM 750 NZ LYS A 51 -6.133 -2.528 13.068 1.00 61.24 N ATOM 0 H LYS A 51 -1.193 -2.708 13.546 1.00 53.53 H new ATOM 0 HA LYS A 51 -1.777 -5.350 14.280 1.00 13.04 H new ATOM 0 HB2 LYS A 51 -1.919 -3.809 11.679 1.00 4.00 H new ATOM 0 HB3 LYS A 51 -2.380 -5.498 11.766 1.00 4.00 H new ATOM 0 HG2 LYS A 51 -4.057 -4.955 13.506 1.00 42.00 H new ATOM 0 HG3 LYS A 51 -3.592 -3.267 13.431 1.00 42.00 H new ATOM 0 HD2 LYS A 51 -4.270 -3.131 11.098 1.00 63.54 H new ATOM 0 HD3 LYS A 51 -4.603 -4.851 11.057 1.00 63.54 H new ATOM 0 HE2 LYS A 51 -6.683 -3.565 11.322 1.00 24.25 H new ATOM 0 HE3 LYS A 51 -6.399 -4.586 12.718 1.00 24.25 H new ATOM 0 HZ1 LYS A 51 -7.134 -2.328 13.268 1.00 61.24 H new ATOM 0 HZ2 LYS A 51 -5.633 -2.718 13.960 1.00 61.24 H new ATOM 0 HZ3 LYS A 51 -5.703 -1.706 12.599 1.00 61.24 H new ATOM 764 N PHE A 52 0.871 -5.142 12.430 1.00 35.53 N ATOM 765 CA PHE A 52 1.949 -5.994 11.947 1.00 34.32 C ATOM 766 C PHE A 52 3.219 -5.798 12.742 1.00 42.34 C ATOM 767 O PHE A 52 4.029 -6.708 12.835 1.00 32.42 O ATOM 768 CB PHE A 52 2.216 -5.744 10.459 1.00 3.04 C ATOM 769 CG PHE A 52 1.036 -6.042 9.575 1.00 32.45 C ATOM 770 CD1 PHE A 52 0.807 -7.324 9.110 1.00 23.23 C ATOM 771 CD2 PHE A 52 0.157 -5.039 9.210 1.00 63.33 C ATOM 772 CE1 PHE A 52 -0.275 -7.599 8.300 1.00 71.23 C ATOM 773 CE2 PHE A 52 -0.926 -5.309 8.400 1.00 74.23 C ATOM 774 CZ PHE A 52 -1.143 -6.590 7.945 1.00 20.31 C ATOM 0 H PHE A 52 0.993 -4.142 12.271 1.00 35.53 H new ATOM 0 HA PHE A 52 1.626 -7.026 12.080 1.00 34.32 H new ATOM 0 HB2 PHE A 52 2.508 -4.703 10.321 1.00 3.04 H new ATOM 0 HB3 PHE A 52 3.060 -6.357 10.142 1.00 3.04 H new ATOM 0 HD1 PHE A 52 1.484 -8.120 9.384 1.00 23.23 H new ATOM 0 HD2 PHE A 52 0.321 -4.032 9.564 1.00 63.33 H new ATOM 0 HE1 PHE A 52 -0.442 -8.605 7.944 1.00 71.23 H new ATOM 0 HE2 PHE A 52 -1.604 -4.515 8.123 1.00 74.23 H new ATOM 0 HZ PHE A 52 -1.991 -6.803 7.312 1.00 20.31 H new ATOM 784 N GLY A 53 3.361 -4.615 13.349 1.00 75.10 N ATOM 785 CA GLY A 53 4.531 -4.298 14.175 1.00 53.24 C ATOM 786 C GLY A 53 5.869 -4.591 13.497 1.00 11.12 C ATOM 787 O GLY A 53 6.833 -4.955 14.163 1.00 64.14 O ATOM 0 H GLY A 53 2.679 -3.860 13.284 1.00 75.10 H new ATOM 0 HA2 GLY A 53 4.496 -3.243 14.446 1.00 53.24 H new ATOM 0 HA3 GLY A 53 4.473 -4.868 15.103 1.00 53.24 H new ATOM 791 N GLY A 54 5.931 -4.413 12.194 1.00 63.44 N ATOM 792 CA GLY A 54 7.137 -4.741 11.455 1.00 12.41 C ATOM 793 C GLY A 54 7.975 -3.531 11.144 1.00 53.24 C ATOM 794 O GLY A 54 8.560 -3.437 10.072 1.00 12.02 O ATOM 0 H GLY A 54 5.168 -4.046 11.626 1.00 63.44 H new ATOM 0 HA2 GLY A 54 7.730 -5.450 12.032 1.00 12.41 H new ATOM 0 HA3 GLY A 54 6.864 -5.238 10.524 1.00 12.41 H new ATOM 798 N VAL A 55 8.051 -2.613 12.093 1.00 34.24 N ATOM 799 CA VAL A 55 8.774 -1.362 11.917 1.00 73.31 C ATOM 800 C VAL A 55 10.272 -1.623 11.738 1.00 14.51 C ATOM 801 O VAL A 55 10.911 -1.059 10.848 1.00 33.04 O ATOM 802 CB VAL A 55 8.548 -0.416 13.121 1.00 51.03 C ATOM 803 CG1 VAL A 55 9.243 0.919 12.909 1.00 21.15 C ATOM 804 CG2 VAL A 55 7.063 -0.213 13.373 1.00 34.54 C ATOM 0 H VAL A 55 7.613 -2.713 13.009 1.00 34.24 H new ATOM 0 HA VAL A 55 8.388 -0.881 11.018 1.00 73.31 H new ATOM 0 HB VAL A 55 8.986 -0.886 14.002 1.00 51.03 H new ATOM 0 HG11 VAL A 55 9.066 1.562 13.771 1.00 21.15 H new ATOM 0 HG12 VAL A 55 10.314 0.757 12.791 1.00 21.15 H new ATOM 0 HG13 VAL A 55 8.847 1.397 12.013 1.00 21.15 H new ATOM 0 HG21 VAL A 55 6.926 0.455 14.223 1.00 34.54 H new ATOM 0 HG22 VAL A 55 6.601 0.226 12.489 1.00 34.54 H new ATOM 0 HG23 VAL A 55 6.596 -1.174 13.588 1.00 34.54 H new ATOM 814 N GLN A 56 10.813 -2.507 12.556 1.00 3.41 N ATOM 815 CA GLN A 56 12.210 -2.830 12.498 1.00 24.42 C ATOM 816 C GLN A 56 12.518 -3.576 11.249 1.00 12.43 C ATOM 817 O GLN A 56 13.562 -3.384 10.665 1.00 64.43 O ATOM 818 CB GLN A 56 12.657 -3.634 13.712 1.00 41.23 C ATOM 819 CG GLN A 56 12.710 -2.891 15.050 1.00 44.53 C ATOM 820 CD GLN A 56 11.374 -2.338 15.536 1.00 14.22 C ATOM 821 OE1 GLN A 56 11.097 -1.100 15.229 1.00 14.40 O flip ATOM 822 NE2 GLN A 56 10.617 -3.019 16.226 1.00 10.40 N flip ATOM 0 H GLN A 56 10.293 -3.014 13.272 1.00 3.41 H new ATOM 0 HA GLN A 56 12.762 -1.890 12.501 1.00 24.42 H new ATOM 0 HB2 GLN A 56 11.985 -4.485 13.822 1.00 41.23 H new ATOM 0 HB3 GLN A 56 13.649 -4.036 13.507 1.00 41.23 H new ATOM 0 HG2 GLN A 56 13.103 -3.568 15.809 1.00 44.53 H new ATOM 0 HG3 GLN A 56 13.417 -2.066 14.962 1.00 44.53 H new ATOM 0 HE21 GLN A 56 10.860 -3.984 16.450 1.00 10.40 H new ATOM 0 HE22 GLN A 56 9.746 -2.619 16.575 1.00 10.40 H new ATOM 831 N GLU A 57 11.590 -4.410 10.822 1.00 62.42 N ATOM 832 CA GLU A 57 11.757 -5.178 9.606 1.00 32.32 C ATOM 833 C GLU A 57 11.945 -4.239 8.428 1.00 34.31 C ATOM 834 O GLU A 57 12.808 -4.449 7.595 1.00 44.22 O ATOM 835 CB GLU A 57 10.560 -6.083 9.364 1.00 41.21 C ATOM 836 CG GLU A 57 10.276 -7.039 10.497 1.00 32.11 C ATOM 837 CD GLU A 57 9.186 -8.012 10.161 1.00 4.54 C ATOM 838 OE1 GLU A 57 8.007 -7.706 10.384 1.00 13.23 O ATOM 839 OE2 GLU A 57 9.504 -9.120 9.670 1.00 14.31 O ATOM 0 H GLU A 57 10.706 -4.573 11.304 1.00 62.42 H new ATOM 0 HA GLU A 57 12.641 -5.806 9.714 1.00 32.32 H new ATOM 0 HB2 GLU A 57 9.678 -5.465 9.194 1.00 41.21 H new ATOM 0 HB3 GLU A 57 10.729 -6.656 8.452 1.00 41.21 H new ATOM 0 HG2 GLU A 57 11.185 -7.587 10.744 1.00 32.11 H new ATOM 0 HG3 GLU A 57 9.994 -6.473 11.385 1.00 32.11 H new ATOM 846 N LEU A 58 11.142 -3.190 8.400 1.00 42.41 N ATOM 847 CA LEU A 58 11.213 -2.170 7.364 1.00 43.33 C ATOM 848 C LEU A 58 12.550 -1.445 7.426 1.00 52.52 C ATOM 849 O LEU A 58 13.256 -1.316 6.418 1.00 32.43 O ATOM 850 CB LEU A 58 10.083 -1.165 7.559 1.00 53.52 C ATOM 851 CG LEU A 58 8.675 -1.743 7.539 1.00 51.23 C ATOM 852 CD1 LEU A 58 7.654 -0.665 7.822 1.00 62.02 C ATOM 853 CD2 LEU A 58 8.394 -2.417 6.213 1.00 72.34 C ATOM 0 H LEU A 58 10.418 -3.019 9.098 1.00 42.41 H new ATOM 0 HA LEU A 58 11.115 -2.651 6.391 1.00 43.33 H new ATOM 0 HB2 LEU A 58 10.234 -0.657 8.511 1.00 53.52 H new ATOM 0 HB3 LEU A 58 10.156 -0.408 6.778 1.00 53.52 H new ATOM 0 HG LEU A 58 8.601 -2.496 8.324 1.00 51.23 H new ATOM 0 HD11 LEU A 58 6.654 -1.097 7.803 1.00 62.02 H new ATOM 0 HD12 LEU A 58 7.844 -0.233 8.804 1.00 62.02 H new ATOM 0 HD13 LEU A 58 7.727 0.114 7.063 1.00 62.02 H new ATOM 0 HD21 LEU A 58 7.383 -2.824 6.219 1.00 72.34 H new ATOM 0 HD22 LEU A 58 8.488 -1.689 5.408 1.00 72.34 H new ATOM 0 HD23 LEU A 58 9.109 -3.225 6.057 1.00 72.34 H new ATOM 865 N LEU A 59 12.901 -0.999 8.622 1.00 65.10 N ATOM 866 CA LEU A 59 14.140 -0.271 8.855 1.00 1.55 C ATOM 867 C LEU A 59 15.364 -1.104 8.530 1.00 32.31 C ATOM 868 O LEU A 59 16.298 -0.608 7.920 1.00 35.20 O ATOM 869 CB LEU A 59 14.208 0.255 10.286 1.00 42.43 C ATOM 870 CG LEU A 59 13.179 1.320 10.648 1.00 71.13 C ATOM 871 CD1 LEU A 59 13.291 1.694 12.103 1.00 60.43 C ATOM 872 CD2 LEU A 59 13.380 2.549 9.788 1.00 41.31 C ATOM 0 H LEU A 59 12.335 -1.131 9.460 1.00 65.10 H new ATOM 0 HA LEU A 59 14.139 0.581 8.175 1.00 1.55 H new ATOM 0 HB2 LEU A 59 14.089 -0.586 10.969 1.00 42.43 H new ATOM 0 HB3 LEU A 59 15.204 0.665 10.456 1.00 42.43 H new ATOM 0 HG LEU A 59 12.184 0.912 10.467 1.00 71.13 H new ATOM 0 HD11 LEU A 59 12.548 2.455 12.341 1.00 60.43 H new ATOM 0 HD12 LEU A 59 13.118 0.812 12.720 1.00 60.43 H new ATOM 0 HD13 LEU A 59 14.289 2.086 12.302 1.00 60.43 H new ATOM 0 HD21 LEU A 59 12.640 3.304 10.054 1.00 41.31 H new ATOM 0 HD22 LEU A 59 14.381 2.948 9.952 1.00 41.31 H new ATOM 0 HD23 LEU A 59 13.264 2.281 8.738 1.00 41.31 H new ATOM 884 N ASN A 60 15.345 -2.361 8.922 1.00 73.24 N ATOM 885 CA ASN A 60 16.456 -3.282 8.647 1.00 53.12 C ATOM 886 C ASN A 60 16.658 -3.535 7.150 1.00 44.44 C ATOM 887 O ASN A 60 17.744 -3.922 6.724 1.00 4.24 O ATOM 888 CB ASN A 60 16.292 -4.598 9.424 1.00 33.25 C ATOM 889 CG ASN A 60 16.463 -4.413 10.928 1.00 31.31 C ATOM 890 OD1 ASN A 60 17.248 -3.577 11.374 1.00 40.03 O ATOM 891 ND2 ASN A 60 15.713 -5.146 11.713 1.00 32.01 N ATOM 0 H ASN A 60 14.571 -2.782 9.437 1.00 73.24 H new ATOM 0 HA ASN A 60 17.363 -2.792 9.000 1.00 53.12 H new ATOM 0 HB2 ASN A 60 15.305 -5.015 9.222 1.00 33.25 H new ATOM 0 HB3 ASN A 60 17.023 -5.322 9.065 1.00 33.25 H new ATOM 0 HD21 ASN A 60 15.770 -5.032 12.725 1.00 32.01 H new ATOM 0 HD22 ASN A 60 15.072 -5.831 11.312 1.00 32.01 H new ATOM 898 N GLN A 61 15.614 -3.289 6.350 1.00 34.42 N ATOM 899 CA GLN A 61 15.697 -3.432 4.888 1.00 35.34 C ATOM 900 C GLN A 61 16.444 -2.239 4.273 1.00 65.41 C ATOM 901 O GLN A 61 16.960 -2.322 3.150 1.00 35.01 O ATOM 902 CB GLN A 61 14.296 -3.503 4.262 1.00 44.20 C ATOM 903 CG GLN A 61 13.448 -4.683 4.688 1.00 31.34 C ATOM 904 CD GLN A 61 12.078 -4.700 4.020 1.00 52.21 C ATOM 905 OE1 GLN A 61 11.909 -4.235 2.881 1.00 64.50 O ATOM 906 NE2 GLN A 61 11.100 -5.223 4.710 1.00 42.15 N ATOM 0 H GLN A 61 14.700 -2.989 6.689 1.00 34.42 H new ATOM 0 HA GLN A 61 16.236 -4.357 4.680 1.00 35.34 H new ATOM 0 HB2 GLN A 61 13.761 -2.586 4.508 1.00 44.20 H new ATOM 0 HB3 GLN A 61 14.403 -3.528 3.178 1.00 44.20 H new ATOM 0 HG2 GLN A 61 13.974 -5.607 4.450 1.00 31.34 H new ATOM 0 HG3 GLN A 61 13.319 -4.660 5.770 1.00 31.34 H new ATOM 0 HE21 GLN A 61 11.276 -5.595 5.643 1.00 42.15 H new ATOM 0 HE22 GLN A 61 10.160 -5.259 4.316 1.00 42.15 H new ATOM 915 N GLN A 62 16.476 -1.150 5.022 1.00 0.03 N ATOM 916 CA GLN A 62 17.087 0.116 4.647 1.00 52.20 C ATOM 917 C GLN A 62 16.712 0.690 3.319 1.00 13.04 C ATOM 918 O GLN A 62 17.520 0.764 2.386 1.00 42.42 O ATOM 919 CB GLN A 62 18.548 0.225 4.931 1.00 0.34 C ATOM 920 CG GLN A 62 18.837 0.243 6.380 1.00 34.32 C ATOM 921 CD GLN A 62 20.288 0.501 6.683 1.00 14.51 C ATOM 922 OE1 GLN A 62 21.182 0.142 5.904 1.00 5.30 O ATOM 923 NE2 GLN A 62 20.542 1.133 7.792 1.00 33.11 N ATOM 0 H GLN A 62 16.057 -1.122 5.952 1.00 0.03 H new ATOM 0 HA GLN A 62 16.592 0.780 5.355 1.00 52.20 H new ATOM 0 HB2 GLN A 62 19.069 -0.613 4.469 1.00 0.34 H new ATOM 0 HB3 GLN A 62 18.938 1.134 4.473 1.00 0.34 H new ATOM 0 HG2 GLN A 62 18.229 1.011 6.857 1.00 34.32 H new ATOM 0 HG3 GLN A 62 18.544 -0.712 6.816 1.00 34.32 H new ATOM 0 HE21 GLN A 62 19.777 1.412 8.407 1.00 33.11 H new ATOM 0 HE22 GLN A 62 21.506 1.350 8.046 1.00 33.11 H new ATOM 932 N LYS A 63 15.484 1.019 3.217 1.00 3.32 N ATOM 933 CA LYS A 63 14.965 1.735 2.142 1.00 53.45 C ATOM 934 C LYS A 63 15.034 3.229 2.402 1.00 34.22 C ATOM 935 O LYS A 63 14.899 3.685 3.544 1.00 32.35 O ATOM 936 CB LYS A 63 13.544 1.296 1.912 1.00 73.15 C ATOM 937 CG LYS A 63 13.406 0.062 1.061 1.00 20.01 C ATOM 938 CD LYS A 63 14.130 -1.192 1.538 1.00 64.12 C ATOM 939 CE LYS A 63 13.993 -2.291 0.469 1.00 74.45 C ATOM 940 NZ LYS A 63 14.740 -3.533 0.790 1.00 24.31 N ATOM 0 H LYS A 63 14.786 0.780 3.921 1.00 3.32 H new ATOM 0 HA LYS A 63 15.558 1.534 1.250 1.00 53.45 H new ATOM 0 HB2 LYS A 63 13.072 1.112 2.877 1.00 73.15 H new ATOM 0 HB3 LYS A 63 12.996 2.112 1.440 1.00 73.15 H new ATOM 0 HG2 LYS A 63 12.345 -0.172 0.973 1.00 20.01 H new ATOM 0 HG3 LYS A 63 13.764 0.300 0.059 1.00 20.01 H new ATOM 0 HD2 LYS A 63 15.182 -0.973 1.719 1.00 64.12 H new ATOM 0 HD3 LYS A 63 13.708 -1.533 2.484 1.00 64.12 H new ATOM 0 HE2 LYS A 63 12.938 -2.534 0.344 1.00 74.45 H new ATOM 0 HE3 LYS A 63 14.346 -1.902 -0.486 1.00 74.45 H new ATOM 0 HZ1 LYS A 63 15.111 -3.952 -0.087 1.00 24.31 H new ATOM 0 HZ2 LYS A 63 15.530 -3.308 1.427 1.00 24.31 H new ATOM 0 HZ3 LYS A 63 14.103 -4.211 1.255 1.00 24.31 H new ATOM 954 N LYS A 64 15.289 3.963 1.359 1.00 10.34 N ATOM 955 CA LYS A 64 15.308 5.400 1.394 1.00 15.15 C ATOM 956 C LYS A 64 14.216 5.901 0.501 1.00 2.31 C ATOM 957 O LYS A 64 13.559 5.095 -0.183 1.00 2.33 O ATOM 958 CB LYS A 64 16.648 5.953 0.896 1.00 25.23 C ATOM 959 CG LYS A 64 17.851 5.599 1.747 1.00 33.14 C ATOM 960 CD LYS A 64 17.749 6.194 3.130 1.00 2.11 C ATOM 961 CE LYS A 64 18.969 5.845 3.954 1.00 21.21 C ATOM 962 NZ LYS A 64 18.892 6.412 5.312 1.00 62.31 N ATOM 0 H LYS A 64 15.494 3.573 0.439 1.00 10.34 H new ATOM 0 HA LYS A 64 15.165 5.731 2.423 1.00 15.15 H new ATOM 0 HB2 LYS A 64 16.820 5.587 -0.116 1.00 25.23 H new ATOM 0 HB3 LYS A 64 16.574 7.039 0.834 1.00 25.23 H new ATOM 0 HG2 LYS A 64 17.938 4.515 1.822 1.00 33.14 H new ATOM 0 HG3 LYS A 64 18.759 5.958 1.262 1.00 33.14 H new ATOM 0 HD2 LYS A 64 17.650 7.277 3.059 1.00 2.11 H new ATOM 0 HD3 LYS A 64 16.851 5.824 3.625 1.00 2.11 H new ATOM 0 HE2 LYS A 64 19.067 4.761 4.018 1.00 21.21 H new ATOM 0 HE3 LYS A 64 19.864 6.217 3.455 1.00 21.21 H new ATOM 0 HZ1 LYS A 64 19.746 6.151 5.846 1.00 62.31 H new ATOM 0 HZ2 LYS A 64 18.824 7.448 5.252 1.00 62.31 H new ATOM 0 HZ3 LYS A 64 18.052 6.037 5.798 1.00 62.31 H new ATOM 976 N SER A 65 13.992 7.195 0.532 1.00 10.52 N ATOM 977 CA SER A 65 13.029 7.838 -0.339 1.00 41.35 C ATOM 978 C SER A 65 13.275 7.427 -1.793 1.00 62.14 C ATOM 979 O SER A 65 14.339 7.734 -2.376 1.00 51.44 O ATOM 980 CB SER A 65 13.143 9.358 -0.204 1.00 10.24 C ATOM 981 OG SER A 65 12.956 9.773 1.141 1.00 21.33 O ATOM 0 H SER A 65 14.473 7.835 1.164 1.00 10.52 H new ATOM 0 HA SER A 65 12.026 7.525 -0.049 1.00 41.35 H new ATOM 0 HB2 SER A 65 14.122 9.684 -0.554 1.00 10.24 H new ATOM 0 HB3 SER A 65 12.401 9.838 -0.841 1.00 10.24 H new ATOM 0 HG SER A 65 13.806 9.706 1.625 1.00 21.33 H new ATOM 987 N GLY A 66 12.318 6.712 -2.360 1.00 52.21 N ATOM 988 CA GLY A 66 12.432 6.269 -3.727 1.00 24.33 C ATOM 989 C GLY A 66 12.391 4.768 -3.835 1.00 14.33 C ATOM 990 O GLY A 66 12.233 4.217 -4.928 1.00 63.21 O ATOM 0 H GLY A 66 11.458 6.430 -1.891 1.00 52.21 H new ATOM 0 HA2 GLY A 66 11.622 6.698 -4.317 1.00 24.33 H new ATOM 0 HA3 GLY A 66 13.365 6.638 -4.152 1.00 24.33 H new ATOM 994 N GLU A 67 12.512 4.112 -2.710 1.00 12.33 N ATOM 995 CA GLU A 67 12.489 2.678 -2.633 1.00 10.14 C ATOM 996 C GLU A 67 11.283 2.234 -1.826 1.00 63.20 C ATOM 997 O GLU A 67 10.667 3.037 -1.113 1.00 52.33 O ATOM 998 CB GLU A 67 13.780 2.082 -2.014 1.00 32.31 C ATOM 999 CG GLU A 67 15.070 2.180 -2.851 1.00 42.44 C ATOM 1000 CD GLU A 67 15.608 3.577 -3.049 1.00 73.33 C ATOM 1001 OE1 GLU A 67 16.216 4.120 -2.117 1.00 12.12 O ATOM 1002 OE2 GLU A 67 15.473 4.132 -4.160 1.00 2.50 O ATOM 0 H GLU A 67 12.631 4.570 -1.806 1.00 12.33 H new ATOM 0 HA GLU A 67 12.426 2.304 -3.655 1.00 10.14 H new ATOM 0 HB2 GLU A 67 13.958 2.578 -1.060 1.00 32.31 H new ATOM 0 HB3 GLU A 67 13.597 1.030 -1.797 1.00 32.31 H new ATOM 0 HG2 GLU A 67 15.841 1.576 -2.372 1.00 42.44 H new ATOM 0 HG3 GLU A 67 14.882 1.739 -3.830 1.00 42.44 H new ATOM 1009 N VAL A 68 10.929 0.988 -1.961 1.00 53.25 N ATOM 1010 CA VAL A 68 9.776 0.450 -1.285 1.00 21.10 C ATOM 1011 C VAL A 68 10.169 -0.719 -0.367 1.00 44.22 C ATOM 1012 O VAL A 68 10.949 -1.612 -0.753 1.00 42.14 O ATOM 1013 CB VAL A 68 8.679 -0.007 -2.307 1.00 11.20 C ATOM 1014 CG1 VAL A 68 9.157 -1.157 -3.187 1.00 53.34 C ATOM 1015 CG2 VAL A 68 7.392 -0.374 -1.607 1.00 14.14 C ATOM 0 H VAL A 68 11.429 0.314 -2.541 1.00 53.25 H new ATOM 0 HA VAL A 68 9.358 1.247 -0.670 1.00 21.10 H new ATOM 0 HB VAL A 68 8.484 0.846 -2.958 1.00 11.20 H new ATOM 0 HG11 VAL A 68 8.364 -1.440 -3.879 1.00 53.34 H new ATOM 0 HG12 VAL A 68 10.035 -0.843 -3.751 1.00 53.34 H new ATOM 0 HG13 VAL A 68 9.414 -2.012 -2.561 1.00 53.34 H new ATOM 0 HG21 VAL A 68 6.653 -0.686 -2.345 1.00 14.14 H new ATOM 0 HG22 VAL A 68 7.577 -1.192 -0.910 1.00 14.14 H new ATOM 0 HG23 VAL A 68 7.016 0.491 -1.060 1.00 14.14 H new ATOM 1025 N ALA A 69 9.667 -0.683 0.842 1.00 51.14 N ATOM 1026 CA ALA A 69 9.877 -1.748 1.795 1.00 10.51 C ATOM 1027 C ALA A 69 8.664 -2.663 1.751 1.00 35.44 C ATOM 1028 O ALA A 69 7.548 -2.196 1.524 1.00 24.34 O ATOM 1029 CB ALA A 69 10.092 -1.183 3.193 1.00 54.42 C ATOM 0 H ALA A 69 9.099 0.087 1.196 1.00 51.14 H new ATOM 0 HA ALA A 69 10.773 -2.313 1.539 1.00 10.51 H new ATOM 0 HB1 ALA A 69 10.248 -2.001 3.896 1.00 54.42 H new ATOM 0 HB2 ALA A 69 10.967 -0.533 3.192 1.00 54.42 H new ATOM 0 HB3 ALA A 69 9.215 -0.610 3.493 1.00 54.42 H new ATOM 1035 N VAL A 70 8.864 -3.952 1.937 1.00 55.10 N ATOM 1036 CA VAL A 70 7.759 -4.899 1.796 1.00 11.44 C ATOM 1037 C VAL A 70 7.691 -5.861 2.991 1.00 35.40 C ATOM 1038 O VAL A 70 8.731 -6.287 3.517 1.00 65.45 O ATOM 1039 CB VAL A 70 7.890 -5.745 0.476 1.00 14.44 C ATOM 1040 CG1 VAL A 70 6.712 -6.696 0.290 1.00 24.43 C ATOM 1041 CG2 VAL A 70 8.061 -4.859 -0.759 1.00 31.20 C ATOM 0 H VAL A 70 9.762 -4.370 2.182 1.00 55.10 H new ATOM 0 HA VAL A 70 6.846 -4.305 1.755 1.00 11.44 H new ATOM 0 HB VAL A 70 8.794 -6.345 0.586 1.00 14.44 H new ATOM 0 HG11 VAL A 70 6.842 -7.261 -0.633 1.00 24.43 H new ATOM 0 HG12 VAL A 70 6.664 -7.385 1.133 1.00 24.43 H new ATOM 0 HG13 VAL A 70 5.786 -6.123 0.237 1.00 24.43 H new ATOM 0 HG21 VAL A 70 8.147 -5.485 -1.647 1.00 31.20 H new ATOM 0 HG22 VAL A 70 7.195 -4.204 -0.860 1.00 31.20 H new ATOM 0 HG23 VAL A 70 8.962 -4.255 -0.652 1.00 31.20 H new ATOM 1051 N LEU A 71 6.477 -6.165 3.414 1.00 42.32 N ATOM 1052 CA LEU A 71 6.203 -7.163 4.450 1.00 72.11 C ATOM 1053 C LEU A 71 5.241 -8.182 3.892 1.00 14.31 C ATOM 1054 O LEU A 71 4.364 -7.829 3.131 1.00 40.14 O ATOM 1055 CB LEU A 71 5.566 -6.531 5.702 1.00 71.02 C ATOM 1056 CG LEU A 71 6.417 -5.524 6.480 1.00 0.52 C ATOM 1057 CD1 LEU A 71 5.658 -5.017 7.695 1.00 71.33 C ATOM 1058 CD2 LEU A 71 7.739 -6.153 6.908 1.00 55.45 C ATOM 0 H LEU A 71 5.635 -5.722 3.046 1.00 42.32 H new ATOM 0 HA LEU A 71 7.150 -7.619 4.740 1.00 72.11 H new ATOM 0 HB2 LEU A 71 4.645 -6.034 5.399 1.00 71.02 H new ATOM 0 HB3 LEU A 71 5.286 -7.335 6.382 1.00 71.02 H new ATOM 0 HG LEU A 71 6.633 -4.680 5.825 1.00 0.52 H new ATOM 0 HD11 LEU A 71 6.276 -4.302 8.238 1.00 71.33 H new ATOM 0 HD12 LEU A 71 4.738 -4.530 7.372 1.00 71.33 H new ATOM 0 HD13 LEU A 71 5.415 -5.855 8.348 1.00 71.33 H new ATOM 0 HD21 LEU A 71 8.329 -5.421 7.459 1.00 55.45 H new ATOM 0 HD22 LEU A 71 7.542 -7.015 7.546 1.00 55.45 H new ATOM 0 HD23 LEU A 71 8.292 -6.474 6.025 1.00 55.45 H new ATOM 1070 N LYS A 72 5.410 -9.422 4.228 1.00 74.32 N ATOM 1071 CA LYS A 72 4.484 -10.432 3.789 1.00 72.20 C ATOM 1072 C LYS A 72 3.703 -10.947 4.967 1.00 23.53 C ATOM 1073 O LYS A 72 4.264 -11.199 6.033 1.00 53.21 O ATOM 1074 CB LYS A 72 5.189 -11.574 3.064 1.00 63.43 C ATOM 1075 CG LYS A 72 4.246 -12.657 2.537 1.00 15.23 C ATOM 1076 CD LYS A 72 4.995 -13.747 1.787 1.00 32.40 C ATOM 1077 CE LYS A 72 5.968 -14.501 2.682 1.00 34.41 C ATOM 1078 NZ LYS A 72 6.718 -15.526 1.930 1.00 12.10 N ATOM 0 H LYS A 72 6.178 -9.765 4.804 1.00 74.32 H new ATOM 0 HA LYS A 72 3.799 -9.978 3.073 1.00 72.20 H new ATOM 0 HB2 LYS A 72 5.757 -11.164 2.229 1.00 63.43 H new ATOM 0 HB3 LYS A 72 5.908 -12.032 3.743 1.00 63.43 H new ATOM 0 HG2 LYS A 72 3.700 -13.099 3.370 1.00 15.23 H new ATOM 0 HG3 LYS A 72 3.507 -12.204 1.876 1.00 15.23 H new ATOM 0 HD2 LYS A 72 4.279 -14.449 1.360 1.00 32.40 H new ATOM 0 HD3 LYS A 72 5.540 -13.303 0.954 1.00 32.40 H new ATOM 0 HE2 LYS A 72 6.667 -13.797 3.134 1.00 34.41 H new ATOM 0 HE3 LYS A 72 5.421 -14.975 3.497 1.00 34.41 H new ATOM 0 HZ1 LYS A 72 7.371 -16.019 2.572 1.00 12.10 H new ATOM 0 HZ2 LYS A 72 6.052 -16.212 1.519 1.00 12.10 H new ATOM 0 HZ3 LYS A 72 7.260 -15.070 1.168 1.00 12.10 H new ATOM 1092 N ARG A 73 2.427 -11.094 4.801 1.00 3.23 N ATOM 1093 CA ARG A 73 1.610 -11.598 5.878 1.00 1.52 C ATOM 1094 C ARG A 73 1.407 -13.092 5.629 1.00 64.34 C ATOM 1095 O ARG A 73 1.962 -13.931 6.337 1.00 52.11 O ATOM 1096 CB ARG A 73 0.259 -10.827 5.919 1.00 3.22 C ATOM 1097 CG ARG A 73 -0.616 -11.013 7.186 1.00 10.24 C ATOM 1098 CD ARG A 73 -1.082 -12.442 7.414 1.00 22.42 C ATOM 1099 NE ARG A 73 -1.939 -12.559 8.594 1.00 31.02 N ATOM 1100 CZ ARG A 73 -2.284 -13.709 9.179 1.00 44.12 C ATOM 1101 NH1 ARG A 73 -1.772 -14.852 8.748 1.00 53.05 N ATOM 1102 NH2 ARG A 73 -3.122 -13.706 10.212 1.00 63.13 N ATOM 0 H ARG A 73 1.924 -10.877 3.941 1.00 3.23 H new ATOM 0 HA ARG A 73 2.087 -11.452 6.847 1.00 1.52 H new ATOM 0 HB2 ARG A 73 0.471 -9.764 5.806 1.00 3.22 H new ATOM 0 HB3 ARG A 73 -0.330 -11.128 5.053 1.00 3.22 H new ATOM 0 HG2 ARG A 73 -0.050 -10.683 8.057 1.00 10.24 H new ATOM 0 HG3 ARG A 73 -1.489 -10.365 7.110 1.00 10.24 H new ATOM 0 HD2 ARG A 73 -1.625 -12.790 6.536 1.00 22.42 H new ATOM 0 HD3 ARG A 73 -0.215 -13.092 7.530 1.00 22.42 H new ATOM 0 HE ARG A 73 -2.301 -11.696 9.001 1.00 31.02 H new ATOM 0 HH11 ARG A 73 -1.114 -14.854 7.969 1.00 53.05 H new ATOM 0 HH12 ARG A 73 -2.036 -15.730 9.195 1.00 53.05 H new ATOM 0 HH21 ARG A 73 -3.502 -12.825 10.558 1.00 63.13 H new ATOM 0 HH22 ARG A 73 -3.385 -14.585 10.658 1.00 63.13 H new ATOM 1116 N ASP A 74 0.652 -13.405 4.605 1.00 73.53 N ATOM 1117 CA ASP A 74 0.370 -14.792 4.220 1.00 71.31 C ATOM 1118 C ASP A 74 -0.088 -14.820 2.788 1.00 31.13 C ATOM 1119 O ASP A 74 0.481 -15.516 1.953 1.00 60.44 O ATOM 1120 CB ASP A 74 -0.696 -15.419 5.146 1.00 73.33 C ATOM 1121 CG ASP A 74 -1.144 -16.811 4.712 1.00 13.32 C ATOM 1122 OD1 ASP A 74 -0.394 -17.788 4.905 1.00 15.43 O ATOM 1123 OD2 ASP A 74 -2.282 -16.940 4.206 1.00 43.12 O ATOM 0 H ASP A 74 0.207 -12.711 4.004 1.00 73.53 H new ATOM 0 HA ASP A 74 1.280 -15.383 4.323 1.00 71.31 H new ATOM 0 HB2 ASP A 74 -0.297 -15.475 6.159 1.00 73.33 H new ATOM 0 HB3 ASP A 74 -1.565 -14.762 5.182 1.00 73.33 H new ATOM 1128 N GLY A 75 -1.097 -14.041 2.508 1.00 64.22 N ATOM 1129 CA GLY A 75 -1.603 -13.939 1.176 1.00 73.53 C ATOM 1130 C GLY A 75 -1.121 -12.690 0.481 1.00 25.14 C ATOM 1131 O GLY A 75 -0.699 -12.733 -0.676 1.00 12.51 O ATOM 0 H GLY A 75 -1.585 -13.465 3.194 1.00 64.22 H new ATOM 0 HA2 GLY A 75 -1.295 -14.814 0.603 1.00 73.53 H new ATOM 0 HA3 GLY A 75 -2.693 -13.942 1.201 1.00 73.53 H new ATOM 1135 N ARG A 76 -1.160 -11.576 1.180 1.00 11.31 N ATOM 1136 CA ARG A 76 -0.755 -10.316 0.595 1.00 44.01 C ATOM 1137 C ARG A 76 0.586 -9.845 1.091 1.00 1.11 C ATOM 1138 O ARG A 76 1.094 -10.297 2.144 1.00 72.02 O ATOM 1139 CB ARG A 76 -1.781 -9.193 0.824 1.00 4.41 C ATOM 1140 CG ARG A 76 -2.185 -8.986 2.273 1.00 54.54 C ATOM 1141 CD ARG A 76 -2.856 -7.632 2.508 1.00 62.11 C ATOM 1142 NE ARG A 76 -3.993 -7.342 1.623 1.00 43.12 N ATOM 1143 CZ ARG A 76 -5.003 -6.518 1.946 1.00 12.54 C ATOM 1144 NH1 ARG A 76 -5.142 -6.081 3.194 1.00 4.31 N ATOM 1145 NH2 ARG A 76 -5.878 -6.149 1.044 1.00 13.10 N ATOM 0 H ARG A 76 -1.467 -11.517 2.151 1.00 11.31 H new ATOM 0 HA ARG A 76 -0.687 -10.524 -0.473 1.00 44.01 H new ATOM 0 HB2 ARG A 76 -1.369 -8.260 0.439 1.00 4.41 H new ATOM 0 HB3 ARG A 76 -2.675 -9.412 0.240 1.00 4.41 H new ATOM 0 HG2 ARG A 76 -2.866 -9.782 2.574 1.00 54.54 H new ATOM 0 HG3 ARG A 76 -1.302 -9.065 2.907 1.00 54.54 H new ATOM 0 HD2 ARG A 76 -3.199 -7.587 3.542 1.00 62.11 H new ATOM 0 HD3 ARG A 76 -2.110 -6.847 2.385 1.00 62.11 H new ATOM 0 HE ARG A 76 -4.016 -7.794 0.709 1.00 43.12 H new ATOM 0 HH11 ARG A 76 -4.479 -6.371 3.913 1.00 4.31 H new ATOM 0 HH12 ARG A 76 -5.911 -5.455 3.433 1.00 4.31 H new ATOM 0 HH21 ARG A 76 -5.796 -6.488 0.085 1.00 13.10 H new ATOM 0 HH22 ARG A 76 -6.641 -5.523 1.300 1.00 13.10 H new ATOM 1159 N TYR A 77 1.143 -8.943 0.326 1.00 23.53 N ATOM 1160 CA TYR A 77 2.351 -8.249 0.653 1.00 40.53 C ATOM 1161 C TYR A 77 1.965 -6.825 1.001 1.00 23.41 C ATOM 1162 O TYR A 77 1.005 -6.286 0.433 1.00 42.30 O ATOM 1163 CB TYR A 77 3.308 -8.243 -0.550 1.00 4.40 C ATOM 1164 CG TYR A 77 3.757 -9.619 -0.999 1.00 73.34 C ATOM 1165 CD1 TYR A 77 2.977 -10.381 -1.860 1.00 70.44 C ATOM 1166 CD2 TYR A 77 4.958 -10.149 -0.560 1.00 64.44 C ATOM 1167 CE1 TYR A 77 3.383 -11.634 -2.268 1.00 63.41 C ATOM 1168 CE2 TYR A 77 5.374 -11.400 -0.965 1.00 73.04 C ATOM 1169 CZ TYR A 77 4.580 -12.139 -1.817 1.00 45.55 C ATOM 1170 OH TYR A 77 4.989 -13.389 -2.221 1.00 32.31 O ATOM 0 H TYR A 77 0.750 -8.665 -0.573 1.00 23.53 H new ATOM 0 HA TYR A 77 2.858 -8.737 1.485 1.00 40.53 H new ATOM 0 HB2 TYR A 77 2.818 -7.743 -1.386 1.00 4.40 H new ATOM 0 HB3 TYR A 77 4.188 -7.652 -0.296 1.00 4.40 H new ATOM 0 HD1 TYR A 77 2.037 -9.985 -2.216 1.00 70.44 H new ATOM 0 HD2 TYR A 77 5.579 -9.574 0.110 1.00 64.44 H new ATOM 0 HE1 TYR A 77 2.765 -12.215 -2.937 1.00 63.41 H new ATOM 0 HE2 TYR A 77 6.316 -11.799 -0.617 1.00 73.04 H new ATOM 0 HH TYR A 77 5.856 -13.597 -1.814 1.00 32.31 H new ATOM 1180 N ILE A 78 2.647 -6.240 1.932 1.00 64.03 N ATOM 1181 CA ILE A 78 2.366 -4.894 2.334 1.00 31.13 C ATOM 1182 C ILE A 78 3.467 -4.002 1.775 1.00 14.31 C ATOM 1183 O ILE A 78 4.655 -4.246 2.020 1.00 51.53 O ATOM 1184 CB ILE A 78 2.358 -4.738 3.879 1.00 30.00 C ATOM 1185 CG1 ILE A 78 1.579 -5.879 4.567 1.00 44.14 C ATOM 1186 CG2 ILE A 78 1.721 -3.403 4.241 1.00 11.53 C ATOM 1187 CD1 ILE A 78 0.121 -5.968 4.193 1.00 64.10 C ATOM 0 H ILE A 78 3.416 -6.680 2.438 1.00 64.03 H new ATOM 0 HA ILE A 78 1.380 -4.620 1.959 1.00 31.13 H new ATOM 0 HB ILE A 78 3.389 -4.779 4.229 1.00 30.00 H new ATOM 0 HG12 ILE A 78 2.060 -6.826 4.323 1.00 44.14 H new ATOM 0 HG13 ILE A 78 1.655 -5.752 5.647 1.00 44.14 H new ATOM 0 HG21 ILE A 78 1.712 -3.286 5.325 1.00 11.53 H new ATOM 0 HG22 ILE A 78 2.296 -2.592 3.794 1.00 11.53 H new ATOM 0 HG23 ILE A 78 0.699 -3.374 3.864 1.00 11.53 H new ATOM 0 HD11 ILE A 78 -0.341 -6.799 4.726 1.00 64.10 H new ATOM 0 HD12 ILE A 78 -0.381 -5.039 4.463 1.00 64.10 H new ATOM 0 HD13 ILE A 78 0.030 -6.131 3.119 1.00 64.10 H new ATOM 1199 N TYR A 79 3.082 -3.012 1.022 1.00 3.24 N ATOM 1200 CA TYR A 79 4.021 -2.097 0.403 1.00 3.22 C ATOM 1201 C TYR A 79 4.161 -0.828 1.194 1.00 22.11 C ATOM 1202 O TYR A 79 3.166 -0.177 1.545 1.00 53.12 O ATOM 1203 CB TYR A 79 3.603 -1.769 -1.032 1.00 42.24 C ATOM 1204 CG TYR A 79 3.678 -2.937 -1.965 1.00 12.34 C ATOM 1205 CD1 TYR A 79 2.789 -4.000 -1.864 1.00 23.21 C ATOM 1206 CD2 TYR A 79 4.662 -2.998 -2.921 1.00 30.11 C ATOM 1207 CE1 TYR A 79 2.884 -5.079 -2.696 1.00 12.13 C ATOM 1208 CE2 TYR A 79 4.771 -4.073 -3.744 1.00 31.24 C ATOM 1209 CZ TYR A 79 3.882 -5.112 -3.634 1.00 52.14 C ATOM 1210 OH TYR A 79 4.024 -6.202 -4.450 1.00 21.24 O ATOM 0 H TYR A 79 2.104 -2.809 0.814 1.00 3.24 H new ATOM 0 HA TYR A 79 4.989 -2.598 0.384 1.00 3.22 H new ATOM 0 HB2 TYR A 79 2.582 -1.387 -1.025 1.00 42.24 H new ATOM 0 HB3 TYR A 79 4.240 -0.970 -1.413 1.00 42.24 H new ATOM 0 HD1 TYR A 79 2.011 -3.973 -1.116 1.00 23.21 H new ATOM 0 HD2 TYR A 79 5.359 -2.179 -3.020 1.00 30.11 H new ATOM 0 HE1 TYR A 79 2.182 -5.895 -2.616 1.00 12.13 H new ATOM 0 HE2 TYR A 79 5.557 -4.110 -4.484 1.00 31.24 H new ATOM 0 HH TYR A 79 3.641 -6.004 -5.330 1.00 21.24 H new ATOM 1220 N TYR A 80 5.378 -0.494 1.488 1.00 74.51 N ATOM 1221 CA TYR A 80 5.709 0.710 2.183 1.00 43.02 C ATOM 1222 C TYR A 80 6.543 1.604 1.296 1.00 21.31 C ATOM 1223 O TYR A 80 7.757 1.418 1.170 1.00 40.02 O ATOM 1224 CB TYR A 80 6.449 0.405 3.479 1.00 63.30 C ATOM 1225 CG TYR A 80 5.620 -0.315 4.512 1.00 13.23 C ATOM 1226 CD1 TYR A 80 5.469 -1.692 4.484 1.00 62.42 C ATOM 1227 CD2 TYR A 80 4.988 0.389 5.517 1.00 74.10 C ATOM 1228 CE1 TYR A 80 4.709 -2.339 5.431 1.00 43.22 C ATOM 1229 CE2 TYR A 80 4.224 -0.251 6.464 1.00 41.51 C ATOM 1230 CZ TYR A 80 4.087 -1.610 6.419 1.00 72.11 C ATOM 1231 OH TYR A 80 3.314 -2.241 7.357 1.00 3.10 O ATOM 0 H TYR A 80 6.188 -1.064 1.246 1.00 74.51 H new ATOM 0 HA TYR A 80 4.784 1.227 2.438 1.00 43.02 H new ATOM 0 HB2 TYR A 80 7.327 -0.199 3.249 1.00 63.30 H new ATOM 0 HB3 TYR A 80 6.809 1.341 3.907 1.00 63.30 H new ATOM 0 HD1 TYR A 80 5.955 -2.265 3.708 1.00 62.42 H new ATOM 0 HD2 TYR A 80 5.096 1.463 5.560 1.00 74.10 H new ATOM 0 HE1 TYR A 80 4.601 -3.413 5.399 1.00 43.22 H new ATOM 0 HE2 TYR A 80 3.734 0.318 7.240 1.00 41.51 H new ATOM 0 HH TYR A 80 2.367 -2.112 7.141 1.00 3.10 H new ATOM 1241 N LEU A 81 5.880 2.520 0.635 1.00 41.42 N ATOM 1242 CA LEU A 81 6.514 3.471 -0.232 1.00 11.12 C ATOM 1243 C LEU A 81 7.181 4.521 0.612 1.00 71.13 C ATOM 1244 O LEU A 81 6.528 5.148 1.454 1.00 70.55 O ATOM 1245 CB LEU A 81 5.462 4.150 -1.137 1.00 14.24 C ATOM 1246 CG LEU A 81 4.656 3.259 -2.106 1.00 42.54 C ATOM 1247 CD1 LEU A 81 5.556 2.398 -2.950 1.00 32.35 C ATOM 1248 CD2 LEU A 81 3.589 2.426 -1.411 1.00 44.34 C ATOM 0 H LEU A 81 4.867 2.624 0.688 1.00 41.42 H new ATOM 0 HA LEU A 81 7.246 2.959 -0.857 1.00 11.12 H new ATOM 0 HB2 LEU A 81 4.753 4.669 -0.493 1.00 14.24 H new ATOM 0 HB3 LEU A 81 5.971 4.911 -1.728 1.00 14.24 H new ATOM 0 HG LEU A 81 4.126 3.944 -2.768 1.00 42.54 H new ATOM 0 HD11 LEU A 81 4.951 1.786 -3.619 1.00 32.35 H new ATOM 0 HD12 LEU A 81 6.219 3.032 -3.539 1.00 32.35 H new ATOM 0 HD13 LEU A 81 6.151 1.752 -2.305 1.00 32.35 H new ATOM 0 HD21 LEU A 81 3.060 1.823 -2.149 1.00 44.34 H new ATOM 0 HD22 LEU A 81 4.059 1.771 -0.677 1.00 44.34 H new ATOM 0 HD23 LEU A 81 2.882 3.086 -0.908 1.00 44.34 H new ATOM 1260 N ILE A 82 8.453 4.710 0.425 1.00 71.04 N ATOM 1261 CA ILE A 82 9.153 5.713 1.196 1.00 63.15 C ATOM 1262 C ILE A 82 9.066 7.027 0.452 1.00 1.45 C ATOM 1263 O ILE A 82 9.767 7.244 -0.561 1.00 4.40 O ATOM 1264 CB ILE A 82 10.640 5.355 1.438 1.00 63.00 C ATOM 1265 CG1 ILE A 82 10.807 3.926 2.004 1.00 62.53 C ATOM 1266 CG2 ILE A 82 11.255 6.355 2.401 1.00 61.03 C ATOM 1267 CD1 ILE A 82 10.157 3.685 3.349 1.00 13.20 C ATOM 0 H ILE A 82 9.027 4.195 -0.243 1.00 71.04 H new ATOM 0 HA ILE A 82 8.681 5.776 2.176 1.00 63.15 H new ATOM 0 HB ILE A 82 11.150 5.394 0.475 1.00 63.00 H new ATOM 0 HG12 ILE A 82 10.393 3.218 1.286 1.00 62.53 H new ATOM 0 HG13 ILE A 82 11.872 3.708 2.089 1.00 62.53 H new ATOM 0 HG21 ILE A 82 12.301 6.101 2.570 1.00 61.03 H new ATOM 0 HG22 ILE A 82 11.189 7.357 1.977 1.00 61.03 H new ATOM 0 HG23 ILE A 82 10.717 6.326 3.349 1.00 61.03 H new ATOM 0 HD11 ILE A 82 10.331 2.654 3.658 1.00 13.20 H new ATOM 0 HD12 ILE A 82 10.586 4.363 4.087 1.00 13.20 H new ATOM 0 HD13 ILE A 82 9.085 3.864 3.272 1.00 13.20 H new ATOM 1279 N THR A 83 8.186 7.880 0.911 1.00 13.30 N ATOM 1280 CA THR A 83 7.957 9.134 0.275 1.00 54.43 C ATOM 1281 C THR A 83 9.021 10.161 0.590 1.00 10.41 C ATOM 1282 O THR A 83 9.540 10.786 -0.319 1.00 30.15 O ATOM 1283 CB THR A 83 6.550 9.672 0.567 1.00 1.32 C ATOM 1284 OG1 THR A 83 6.254 9.532 1.970 1.00 24.45 O ATOM 1285 CG2 THR A 83 5.515 8.946 -0.272 1.00 42.20 C ATOM 0 H THR A 83 7.612 7.716 1.738 1.00 13.30 H new ATOM 0 HA THR A 83 8.024 8.944 -0.796 1.00 54.43 H new ATOM 0 HB THR A 83 6.516 10.729 0.304 1.00 1.32 H new ATOM 0 HG1 THR A 83 5.355 9.879 2.151 1.00 24.45 H new ATOM 0 HG21 THR A 83 4.524 9.342 -0.050 1.00 42.20 H new ATOM 0 HG22 THR A 83 5.736 9.092 -1.329 1.00 42.20 H new ATOM 0 HG23 THR A 83 5.540 7.881 -0.040 1.00 42.20 H new ATOM 1293 N LYS A 84 9.353 10.330 1.859 1.00 14.01 N ATOM 1294 CA LYS A 84 10.371 11.304 2.269 1.00 63.32 C ATOM 1295 C LYS A 84 10.990 10.925 3.601 1.00 13.21 C ATOM 1296 O LYS A 84 10.567 9.962 4.240 1.00 51.20 O ATOM 1297 CB LYS A 84 9.828 12.768 2.308 1.00 51.42 C ATOM 1298 CG LYS A 84 9.512 13.452 0.941 1.00 30.00 C ATOM 1299 CD LYS A 84 10.764 13.960 0.145 1.00 30.20 C ATOM 1300 CE LYS A 84 11.798 12.880 -0.206 1.00 63.55 C ATOM 1301 NZ LYS A 84 12.936 13.423 -0.986 1.00 0.22 N ATOM 0 H LYS A 84 8.936 9.808 2.630 1.00 14.01 H new ATOM 0 HA LYS A 84 11.147 11.275 1.504 1.00 63.32 H new ATOM 0 HB2 LYS A 84 8.917 12.774 2.906 1.00 51.42 H new ATOM 0 HB3 LYS A 84 10.558 13.384 2.833 1.00 51.42 H new ATOM 0 HG2 LYS A 84 8.966 12.745 0.316 1.00 30.00 H new ATOM 0 HG3 LYS A 84 8.848 14.297 1.121 1.00 30.00 H new ATOM 0 HD2 LYS A 84 10.422 14.427 -0.779 1.00 30.20 H new ATOM 0 HD3 LYS A 84 11.257 14.736 0.731 1.00 30.20 H new ATOM 0 HE2 LYS A 84 12.173 12.427 0.712 1.00 63.55 H new ATOM 0 HE3 LYS A 84 11.314 12.088 -0.777 1.00 63.55 H new ATOM 0 HZ1 LYS A 84 13.607 12.658 -1.199 1.00 0.22 H new ATOM 0 HZ2 LYS A 84 12.584 13.832 -1.875 1.00 0.22 H new ATOM 0 HZ3 LYS A 84 13.416 14.160 -0.432 1.00 0.22 H new ATOM 1315 N LYS A 85 11.989 11.703 4.005 1.00 71.41 N ATOM 1316 CA LYS A 85 12.747 11.472 5.232 1.00 52.52 C ATOM 1317 C LYS A 85 11.870 11.521 6.475 1.00 64.45 C ATOM 1318 O LYS A 85 11.746 10.539 7.200 1.00 0.15 O ATOM 1319 CB LYS A 85 13.871 12.500 5.351 1.00 1.14 C ATOM 1320 CG LYS A 85 14.816 12.495 4.168 1.00 12.11 C ATOM 1321 CD LYS A 85 15.984 13.445 4.349 1.00 4.42 C ATOM 1322 CE LYS A 85 16.816 13.086 5.569 1.00 23.43 C ATOM 1323 NZ LYS A 85 18.028 13.912 5.663 1.00 12.02 N ATOM 0 H LYS A 85 12.300 12.523 3.483 1.00 71.41 H new ATOM 0 HA LYS A 85 13.165 10.467 5.169 1.00 52.52 H new ATOM 0 HB2 LYS A 85 13.435 13.494 5.455 1.00 1.14 H new ATOM 0 HB3 LYS A 85 14.438 12.304 6.261 1.00 1.14 H new ATOM 0 HG2 LYS A 85 15.195 11.485 4.015 1.00 12.11 H new ATOM 0 HG3 LYS A 85 14.266 12.769 3.268 1.00 12.11 H new ATOM 0 HD2 LYS A 85 16.613 13.422 3.459 1.00 4.42 H new ATOM 0 HD3 LYS A 85 15.612 14.465 4.449 1.00 4.42 H new ATOM 0 HE2 LYS A 85 16.216 13.216 6.470 1.00 23.43 H new ATOM 0 HE3 LYS A 85 17.096 12.034 5.522 1.00 23.43 H new ATOM 0 HZ1 LYS A 85 18.570 13.638 6.507 1.00 12.02 H new ATOM 0 HZ2 LYS A 85 18.613 13.769 4.815 1.00 12.02 H new ATOM 0 HZ3 LYS A 85 17.760 14.914 5.733 1.00 12.02 H new ATOM 1337 N ARG A 86 11.250 12.664 6.706 1.00 73.01 N ATOM 1338 CA ARG A 86 10.444 12.856 7.895 1.00 30.21 C ATOM 1339 C ARG A 86 8.992 12.566 7.608 1.00 20.10 C ATOM 1340 O ARG A 86 8.525 12.777 6.495 1.00 42.25 O ATOM 1341 CB ARG A 86 10.567 14.286 8.414 1.00 55.30 C ATOM 1342 CG ARG A 86 11.970 14.730 8.771 1.00 23.50 C ATOM 1343 CD ARG A 86 12.540 13.887 9.860 1.00 50.04 C ATOM 1344 NE ARG A 86 13.860 14.358 10.271 1.00 51.43 N ATOM 1345 CZ ARG A 86 14.840 13.597 10.766 1.00 22.02 C ATOM 1346 NH1 ARG A 86 14.691 12.282 10.880 1.00 2.24 N ATOM 1347 NH2 ARG A 86 15.981 14.162 11.135 1.00 13.53 N ATOM 0 H ARG A 86 11.290 13.472 6.085 1.00 73.01 H new ATOM 0 HA ARG A 86 10.812 12.164 8.653 1.00 30.21 H new ATOM 0 HB2 ARG A 86 10.171 14.964 7.658 1.00 55.30 H new ATOM 0 HB3 ARG A 86 9.936 14.389 9.297 1.00 55.30 H new ATOM 0 HG2 ARG A 86 12.609 14.671 7.890 1.00 23.50 H new ATOM 0 HG3 ARG A 86 11.955 15.774 9.085 1.00 23.50 H new ATOM 0 HD2 ARG A 86 11.867 13.896 10.717 1.00 50.04 H new ATOM 0 HD3 ARG A 86 12.611 12.853 9.521 1.00 50.04 H new ATOM 0 HE ARG A 86 14.050 15.355 10.171 1.00 51.43 H new ATOM 0 HH11 ARG A 86 13.819 11.840 10.588 1.00 2.24 H new ATOM 0 HH12 ARG A 86 15.448 11.714 11.260 1.00 2.24 H new ATOM 0 HH21 ARG A 86 16.105 15.170 11.040 1.00 13.53 H new ATOM 0 HH22 ARG A 86 16.735 13.589 11.514 1.00 13.53 H new ATOM 1361 N ALA A 87 8.283 12.120 8.618 1.00 31.23 N ATOM 1362 CA ALA A 87 6.870 11.812 8.514 1.00 54.55 C ATOM 1363 C ALA A 87 6.041 13.094 8.407 1.00 73.31 C ATOM 1364 O ALA A 87 4.887 13.070 7.988 1.00 54.11 O ATOM 1365 CB ALA A 87 6.428 10.969 9.705 1.00 13.12 C ATOM 0 H ALA A 87 8.672 11.958 9.547 1.00 31.23 H new ATOM 0 HA ALA A 87 6.704 11.235 7.605 1.00 54.55 H new ATOM 0 HB1 ALA A 87 5.365 10.743 9.617 1.00 13.12 H new ATOM 0 HB2 ALA A 87 6.996 10.039 9.723 1.00 13.12 H new ATOM 0 HB3 ALA A 87 6.606 11.521 10.628 1.00 13.12 H new ATOM 1371 N SER A 88 6.644 14.208 8.791 1.00 22.00 N ATOM 1372 CA SER A 88 6.017 15.511 8.679 1.00 12.51 C ATOM 1373 C SER A 88 6.265 16.107 7.279 1.00 23.22 C ATOM 1374 O SER A 88 5.787 17.206 6.954 1.00 65.33 O ATOM 1375 CB SER A 88 6.577 16.435 9.761 1.00 51.34 C ATOM 1376 OG SER A 88 6.383 15.869 11.053 1.00 50.35 O ATOM 0 H SER A 88 7.583 14.232 9.189 1.00 22.00 H new ATOM 0 HA SER A 88 4.941 15.407 8.817 1.00 12.51 H new ATOM 0 HB2 SER A 88 7.640 16.604 9.588 1.00 51.34 H new ATOM 0 HB3 SER A 88 6.087 17.407 9.706 1.00 51.34 H new ATOM 0 HG SER A 88 6.749 16.473 11.733 1.00 50.35 H new ATOM 1382 N HIS A 89 7.006 15.365 6.447 1.00 61.53 N ATOM 1383 CA HIS A 89 7.306 15.809 5.099 1.00 64.02 C ATOM 1384 C HIS A 89 6.174 15.551 4.174 1.00 24.13 C ATOM 1385 O HIS A 89 5.329 14.680 4.409 1.00 3.24 O ATOM 1386 CB HIS A 89 8.587 15.181 4.516 1.00 4.15 C ATOM 1387 CG HIS A 89 9.861 15.746 5.032 1.00 74.40 C ATOM 1388 ND1 HIS A 89 10.117 16.490 6.108 1.00 21.14 N flip ATOM 1389 CD2 HIS A 89 11.074 15.546 4.419 1.00 75.02 C flip ATOM 1390 CE1 HIS A 89 11.464 16.728 6.133 1.00 61.41 C flip ATOM 1391 NE2 HIS A 89 12.018 16.143 5.102 1.00 41.33 N flip ATOM 0 H HIS A 89 7.404 14.458 6.692 1.00 61.53 H new ATOM 0 HA HIS A 89 7.473 16.883 5.186 1.00 64.02 H new ATOM 0 HB2 HIS A 89 8.573 14.111 4.721 1.00 4.15 H new ATOM 0 HB3 HIS A 89 8.569 15.298 3.432 1.00 4.15 H new ATOM 0 HD2 HIS A 89 11.226 14.982 3.511 1.00 75.02 H new ATOM 0 HE1 HIS A 89 11.986 17.305 6.882 1.00 61.41 H new ATOM 0 HE2 HIS A 89 13.011 16.151 4.871 1.00 41.33 H new ATOM 1400 N LYS A 90 6.158 16.309 3.144 1.00 33.21 N ATOM 1401 CA LYS A 90 5.170 16.190 2.107 1.00 63.13 C ATOM 1402 C LYS A 90 5.779 15.440 0.928 1.00 32.33 C ATOM 1403 O LYS A 90 6.934 15.713 0.546 1.00 22.02 O ATOM 1404 CB LYS A 90 4.614 17.580 1.672 1.00 63.22 C ATOM 1405 CG LYS A 90 3.771 18.329 2.741 1.00 41.34 C ATOM 1406 CD LYS A 90 4.574 18.682 3.992 1.00 33.24 C ATOM 1407 CE LYS A 90 3.722 19.355 5.049 1.00 42.24 C ATOM 1408 NZ LYS A 90 4.502 19.657 6.273 1.00 12.44 N ATOM 0 H LYS A 90 6.840 17.050 2.982 1.00 33.21 H new ATOM 0 HA LYS A 90 4.319 15.628 2.493 1.00 63.13 H new ATOM 0 HB2 LYS A 90 5.453 18.214 1.387 1.00 63.22 H new ATOM 0 HB3 LYS A 90 4.001 17.444 0.781 1.00 63.22 H new ATOM 0 HG2 LYS A 90 3.369 19.243 2.304 1.00 41.34 H new ATOM 0 HG3 LYS A 90 2.920 17.710 3.025 1.00 41.34 H new ATOM 0 HD2 LYS A 90 5.015 17.775 4.406 1.00 33.24 H new ATOM 0 HD3 LYS A 90 5.398 19.341 3.719 1.00 33.24 H new ATOM 0 HE2 LYS A 90 3.305 20.278 4.646 1.00 42.24 H new ATOM 0 HE3 LYS A 90 2.881 18.710 5.303 1.00 42.24 H new ATOM 0 HZ1 LYS A 90 3.858 19.975 7.025 1.00 12.44 H new ATOM 0 HZ2 LYS A 90 5.004 18.801 6.585 1.00 12.44 H new ATOM 0 HZ3 LYS A 90 5.192 20.407 6.068 1.00 12.44 H new ATOM 1422 N PRO A 91 5.044 14.466 0.368 1.00 13.41 N ATOM 1423 CA PRO A 91 5.526 13.641 -0.745 1.00 31.44 C ATOM 1424 C PRO A 91 5.776 14.446 -2.021 1.00 42.32 C ATOM 1425 O PRO A 91 5.106 15.455 -2.288 1.00 73.52 O ATOM 1426 CB PRO A 91 4.400 12.622 -0.965 1.00 42.43 C ATOM 1427 CG PRO A 91 3.193 13.247 -0.363 1.00 1.52 C ATOM 1428 CD PRO A 91 3.678 14.086 0.779 1.00 12.21 C ATOM 0 HA PRO A 91 6.488 13.186 -0.511 1.00 31.44 H new ATOM 0 HB2 PRO A 91 4.252 12.420 -2.026 1.00 42.43 H new ATOM 0 HB3 PRO A 91 4.631 11.669 -0.488 1.00 42.43 H new ATOM 0 HG2 PRO A 91 2.664 13.856 -1.096 1.00 1.52 H new ATOM 0 HG3 PRO A 91 2.493 12.486 -0.017 1.00 1.52 H new ATOM 0 HD2 PRO A 91 3.046 14.961 0.932 1.00 12.21 H new ATOM 0 HD3 PRO A 91 3.681 13.528 1.715 1.00 12.21 H new ATOM 1436 N THR A 92 6.726 13.994 -2.798 1.00 25.02 N ATOM 1437 CA THR A 92 7.097 14.628 -4.016 1.00 23.42 C ATOM 1438 C THR A 92 6.617 13.797 -5.163 1.00 62.43 C ATOM 1439 O THR A 92 6.468 12.590 -5.021 1.00 32.21 O ATOM 1440 CB THR A 92 8.614 14.740 -4.081 1.00 61.10 C ATOM 1441 OG1 THR A 92 9.179 13.502 -3.673 1.00 10.51 O ATOM 1442 CG2 THR A 92 9.121 15.834 -3.200 1.00 63.52 C ATOM 0 H THR A 92 7.269 13.156 -2.588 1.00 25.02 H new ATOM 0 HA THR A 92 6.653 15.622 -4.066 1.00 23.42 H new ATOM 0 HB THR A 92 8.903 14.976 -5.105 1.00 61.10 H new ATOM 0 HG1 THR A 92 10.157 13.560 -3.712 1.00 10.51 H new ATOM 0 HG21 THR A 92 10.207 15.885 -3.272 1.00 63.52 H new ATOM 0 HG22 THR A 92 8.692 16.785 -3.517 1.00 63.52 H new ATOM 0 HG23 THR A 92 8.835 15.632 -2.168 1.00 63.52 H new ATOM 1450 N TYR A 93 6.398 14.417 -6.287 1.00 40.02 N ATOM 1451 CA TYR A 93 5.920 13.722 -7.448 1.00 50.13 C ATOM 1452 C TYR A 93 6.947 12.740 -7.978 1.00 20.31 C ATOM 1453 O TYR A 93 6.641 11.589 -8.171 1.00 74.52 O ATOM 1454 CB TYR A 93 5.509 14.696 -8.529 1.00 23.42 C ATOM 1455 CG TYR A 93 4.251 15.465 -8.221 1.00 55.14 C ATOM 1456 CD1 TYR A 93 4.255 16.594 -7.404 1.00 65.24 C ATOM 1457 CD2 TYR A 93 3.050 15.061 -8.765 1.00 52.20 C ATOM 1458 CE1 TYR A 93 3.093 17.284 -7.152 1.00 74.41 C ATOM 1459 CE2 TYR A 93 1.894 15.746 -8.526 1.00 22.44 C ATOM 1460 CZ TYR A 93 1.910 16.859 -7.721 1.00 11.44 C ATOM 1461 OH TYR A 93 0.736 17.566 -7.483 1.00 42.31 O ATOM 0 H TYR A 93 6.545 15.417 -6.425 1.00 40.02 H new ATOM 0 HA TYR A 93 5.043 13.151 -7.145 1.00 50.13 H new ATOM 0 HB2 TYR A 93 6.322 15.403 -8.694 1.00 23.42 H new ATOM 0 HB3 TYR A 93 5.368 14.149 -9.461 1.00 23.42 H new ATOM 0 HD1 TYR A 93 5.182 16.931 -6.964 1.00 65.24 H new ATOM 0 HD2 TYR A 93 3.024 14.183 -9.394 1.00 52.20 H new ATOM 0 HE1 TYR A 93 3.106 18.154 -6.512 1.00 74.41 H new ATOM 0 HE2 TYR A 93 0.967 15.413 -8.970 1.00 22.44 H new ATOM 0 HH TYR A 93 0.888 18.519 -7.653 1.00 42.31 H new ATOM 1471 N GLU A 94 8.178 13.197 -8.145 1.00 70.21 N ATOM 1472 CA GLU A 94 9.254 12.388 -8.730 1.00 13.15 C ATOM 1473 C GLU A 94 9.590 11.199 -7.840 1.00 51.21 C ATOM 1474 O GLU A 94 9.794 10.075 -8.319 1.00 60.11 O ATOM 1475 CB GLU A 94 10.489 13.265 -8.897 1.00 65.14 C ATOM 1476 CG GLU A 94 11.675 12.561 -9.500 1.00 63.04 C ATOM 1477 CD GLU A 94 12.918 13.412 -9.483 1.00 13.15 C ATOM 1478 OE1 GLU A 94 13.104 14.239 -10.398 1.00 23.25 O ATOM 1479 OE2 GLU A 94 13.729 13.267 -8.549 1.00 72.41 O ATOM 0 H GLU A 94 8.467 14.139 -7.881 1.00 70.21 H new ATOM 0 HA GLU A 94 8.924 12.006 -9.696 1.00 13.15 H new ATOM 0 HB2 GLU A 94 10.231 14.119 -9.524 1.00 65.14 H new ATOM 0 HB3 GLU A 94 10.774 13.660 -7.922 1.00 65.14 H new ATOM 0 HG2 GLU A 94 11.863 11.637 -8.952 1.00 63.04 H new ATOM 0 HG3 GLU A 94 11.444 12.281 -10.528 1.00 63.04 H new ATOM 1486 N ASN A 95 9.648 11.434 -6.561 1.00 24.34 N ATOM 1487 CA ASN A 95 10.002 10.384 -5.657 1.00 74.32 C ATOM 1488 C ASN A 95 8.844 9.411 -5.496 1.00 31.31 C ATOM 1489 O ASN A 95 9.050 8.198 -5.432 1.00 52.43 O ATOM 1490 CB ASN A 95 10.455 10.948 -4.333 1.00 43.30 C ATOM 1491 CG ASN A 95 10.964 9.894 -3.412 1.00 4.31 C ATOM 1492 OD1 ASN A 95 12.143 9.586 -3.427 1.00 14.35 O ATOM 1493 ND2 ASN A 95 10.099 9.365 -2.601 1.00 1.45 N ATOM 0 H ASN A 95 9.456 12.336 -6.125 1.00 24.34 H new ATOM 0 HA ASN A 95 10.842 9.829 -6.074 1.00 74.32 H new ATOM 0 HB2 ASN A 95 11.238 11.686 -4.504 1.00 43.30 H new ATOM 0 HB3 ASN A 95 9.623 11.470 -3.860 1.00 43.30 H new ATOM 0 HD21 ASN A 95 10.395 8.654 -1.933 1.00 1.45 H new ATOM 0 HD22 ASN A 95 9.123 9.661 -2.632 1.00 1.45 H new ATOM 1500 N LEU A 96 7.616 9.942 -5.435 1.00 45.35 N ATOM 1501 CA LEU A 96 6.418 9.096 -5.412 1.00 61.32 C ATOM 1502 C LEU A 96 6.372 8.260 -6.690 1.00 51.14 C ATOM 1503 O LEU A 96 6.048 7.090 -6.662 1.00 55.31 O ATOM 1504 CB LEU A 96 5.159 9.952 -5.311 1.00 54.14 C ATOM 1505 CG LEU A 96 3.826 9.221 -5.221 1.00 1.04 C ATOM 1506 CD1 LEU A 96 3.743 8.393 -3.944 1.00 5.42 C ATOM 1507 CD2 LEU A 96 2.691 10.222 -5.285 1.00 53.05 C ATOM 0 H LEU A 96 7.428 10.944 -5.401 1.00 45.35 H new ATOM 0 HA LEU A 96 6.461 8.442 -4.541 1.00 61.32 H new ATOM 0 HB2 LEU A 96 5.254 10.590 -4.433 1.00 54.14 H new ATOM 0 HB3 LEU A 96 5.126 10.609 -6.180 1.00 54.14 H new ATOM 0 HG LEU A 96 3.744 8.536 -6.065 1.00 1.04 H new ATOM 0 HD11 LEU A 96 2.781 7.881 -3.904 1.00 5.42 H new ATOM 0 HD12 LEU A 96 4.547 7.657 -3.935 1.00 5.42 H new ATOM 0 HD13 LEU A 96 3.841 9.048 -3.078 1.00 5.42 H new ATOM 0 HD21 LEU A 96 1.738 9.696 -5.220 1.00 53.05 H new ATOM 0 HD22 LEU A 96 2.776 10.922 -4.454 1.00 53.05 H new ATOM 0 HD23 LEU A 96 2.741 10.769 -6.227 1.00 53.05 H new ATOM 1519 N GLN A 97 6.730 8.886 -7.794 1.00 45.21 N ATOM 1520 CA GLN A 97 6.834 8.261 -9.070 1.00 50.12 C ATOM 1521 C GLN A 97 7.781 7.053 -8.990 1.00 55.34 C ATOM 1522 O GLN A 97 7.438 5.960 -9.430 1.00 64.54 O ATOM 1523 CB GLN A 97 7.325 9.320 -10.048 1.00 62.31 C ATOM 1524 CG GLN A 97 7.622 8.840 -11.408 1.00 74.03 C ATOM 1525 CD GLN A 97 7.991 9.957 -12.349 1.00 41.15 C ATOM 1526 OE1 GLN A 97 8.564 10.969 -11.937 1.00 11.54 O ATOM 1527 NE2 GLN A 97 7.665 9.803 -13.604 1.00 62.22 N ATOM 0 H GLN A 97 6.962 9.879 -7.813 1.00 45.21 H new ATOM 0 HA GLN A 97 5.873 7.874 -9.409 1.00 50.12 H new ATOM 0 HB2 GLN A 97 6.571 10.104 -10.115 1.00 62.31 H new ATOM 0 HB3 GLN A 97 8.226 9.778 -9.639 1.00 62.31 H new ATOM 0 HG2 GLN A 97 8.440 8.121 -11.365 1.00 74.03 H new ATOM 0 HG3 GLN A 97 6.753 8.311 -11.800 1.00 74.03 H new ATOM 0 HE21 GLN A 97 7.192 8.952 -13.907 1.00 62.22 H new ATOM 0 HE22 GLN A 97 7.884 10.534 -14.281 1.00 62.22 H new ATOM 1536 N LYS A 98 8.955 7.252 -8.386 1.00 51.41 N ATOM 1537 CA LYS A 98 9.899 6.152 -8.184 1.00 14.25 C ATOM 1538 C LYS A 98 9.340 5.095 -7.232 1.00 51.32 C ATOM 1539 O LYS A 98 9.599 3.901 -7.404 1.00 0.22 O ATOM 1540 CB LYS A 98 11.262 6.634 -7.692 1.00 4.05 C ATOM 1541 CG LYS A 98 12.060 7.435 -8.702 1.00 53.32 C ATOM 1542 CD LYS A 98 13.439 7.746 -8.154 1.00 5.03 C ATOM 1543 CE LYS A 98 14.315 8.432 -9.179 1.00 23.13 C ATOM 1544 NZ LYS A 98 15.675 8.674 -8.658 1.00 75.14 N ATOM 0 H LYS A 98 9.272 8.155 -8.032 1.00 51.41 H new ATOM 0 HA LYS A 98 10.043 5.696 -9.164 1.00 14.25 H new ATOM 0 HB2 LYS A 98 11.115 7.244 -6.801 1.00 4.05 H new ATOM 0 HB3 LYS A 98 11.850 5.767 -7.391 1.00 4.05 H new ATOM 0 HG2 LYS A 98 12.149 6.875 -9.633 1.00 53.32 H new ATOM 0 HG3 LYS A 98 11.537 8.362 -8.937 1.00 53.32 H new ATOM 0 HD2 LYS A 98 13.344 8.382 -7.274 1.00 5.03 H new ATOM 0 HD3 LYS A 98 13.917 6.822 -7.829 1.00 5.03 H new ATOM 0 HE2 LYS A 98 14.373 7.818 -10.078 1.00 23.13 H new ATOM 0 HE3 LYS A 98 13.862 9.380 -9.469 1.00 23.13 H new ATOM 0 HZ1 LYS A 98 16.247 9.145 -9.387 1.00 75.14 H new ATOM 0 HZ2 LYS A 98 15.621 9.280 -7.815 1.00 75.14 H new ATOM 0 HZ3 LYS A 98 16.116 7.767 -8.404 1.00 75.14 H new ATOM 1558 N SER A 99 8.576 5.537 -6.241 1.00 41.32 N ATOM 1559 CA SER A 99 7.931 4.645 -5.287 1.00 1.13 C ATOM 1560 C SER A 99 6.955 3.705 -6.036 1.00 21.32 C ATOM 1561 O SER A 99 6.984 2.488 -5.847 1.00 73.10 O ATOM 1562 CB SER A 99 7.172 5.497 -4.262 1.00 11.05 C ATOM 1563 OG SER A 99 8.057 6.394 -3.592 1.00 51.24 O ATOM 0 H SER A 99 8.386 6.526 -6.076 1.00 41.32 H new ATOM 0 HA SER A 99 8.674 4.034 -4.775 1.00 1.13 H new ATOM 0 HB2 SER A 99 6.386 6.062 -4.763 1.00 11.05 H new ATOM 0 HB3 SER A 99 6.684 4.849 -3.534 1.00 11.05 H new ATOM 0 HG SER A 99 8.331 7.105 -4.208 1.00 51.24 H new ATOM 1569 N LEU A 100 6.132 4.285 -6.922 1.00 0.10 N ATOM 1570 CA LEU A 100 5.192 3.535 -7.758 1.00 50.24 C ATOM 1571 C LEU A 100 5.915 2.584 -8.705 1.00 23.05 C ATOM 1572 O LEU A 100 5.504 1.438 -8.863 1.00 23.53 O ATOM 1573 CB LEU A 100 4.266 4.497 -8.516 1.00 1.02 C ATOM 1574 CG LEU A 100 3.046 5.081 -7.755 1.00 35.12 C ATOM 1575 CD1 LEU A 100 1.968 4.026 -7.596 1.00 11.51 C ATOM 1576 CD2 LEU A 100 3.417 5.599 -6.373 1.00 0.44 C ATOM 0 H LEU A 100 6.102 5.293 -7.077 1.00 0.10 H new ATOM 0 HA LEU A 100 4.576 2.917 -7.105 1.00 50.24 H new ATOM 0 HB2 LEU A 100 4.870 5.332 -8.871 1.00 1.02 H new ATOM 0 HB3 LEU A 100 3.892 3.976 -9.398 1.00 1.02 H new ATOM 0 HG LEU A 100 2.681 5.917 -8.352 1.00 35.12 H new ATOM 0 HD11 LEU A 100 1.119 4.451 -7.060 1.00 11.51 H new ATOM 0 HD12 LEU A 100 1.643 3.686 -8.580 1.00 11.51 H new ATOM 0 HD13 LEU A 100 2.366 3.181 -7.034 1.00 11.51 H new ATOM 0 HD21 LEU A 100 2.528 5.997 -5.883 1.00 0.44 H new ATOM 0 HD22 LEU A 100 3.826 4.784 -5.777 1.00 0.44 H new ATOM 0 HD23 LEU A 100 4.163 6.388 -6.468 1.00 0.44 H new ATOM 1588 N GLU A 101 6.989 3.052 -9.319 1.00 11.11 N ATOM 1589 CA GLU A 101 7.839 2.201 -10.165 1.00 31.24 C ATOM 1590 C GLU A 101 8.325 1.001 -9.374 1.00 15.41 C ATOM 1591 O GLU A 101 8.244 -0.142 -9.828 1.00 42.41 O ATOM 1592 CB GLU A 101 9.038 2.998 -10.631 1.00 63.32 C ATOM 1593 CG GLU A 101 8.728 4.073 -11.629 1.00 2.31 C ATOM 1594 CD GLU A 101 8.553 3.538 -13.033 1.00 32.14 C ATOM 1595 OE1 GLU A 101 7.457 3.172 -13.412 1.00 33.34 O ATOM 1596 OE2 GLU A 101 9.561 3.485 -13.785 1.00 22.04 O ATOM 0 H GLU A 101 7.302 4.021 -9.253 1.00 11.11 H new ATOM 0 HA GLU A 101 7.258 1.859 -11.022 1.00 31.24 H new ATOM 0 HB2 GLU A 101 9.514 3.454 -9.763 1.00 63.32 H new ATOM 0 HB3 GLU A 101 9.764 2.313 -11.069 1.00 63.32 H new ATOM 0 HG2 GLU A 101 7.818 4.591 -11.327 1.00 2.31 H new ATOM 0 HG3 GLU A 101 9.531 4.810 -11.624 1.00 2.31 H new ATOM 1603 N ALA A 102 8.816 1.279 -8.193 1.00 11.44 N ATOM 1604 CA ALA A 102 9.312 0.247 -7.288 1.00 33.42 C ATOM 1605 C ALA A 102 8.242 -0.807 -6.974 1.00 61.13 C ATOM 1606 O ALA A 102 8.491 -2.018 -7.099 1.00 54.23 O ATOM 1607 CB ALA A 102 9.833 0.866 -6.000 1.00 41.42 C ATOM 0 H ALA A 102 8.888 2.226 -7.822 1.00 11.44 H new ATOM 0 HA ALA A 102 10.133 -0.258 -7.798 1.00 33.42 H new ATOM 0 HB1 ALA A 102 10.198 0.079 -5.340 1.00 41.42 H new ATOM 0 HB2 ALA A 102 10.647 1.553 -6.230 1.00 41.42 H new ATOM 0 HB3 ALA A 102 9.028 1.410 -5.506 1.00 41.42 H new ATOM 1613 N MET A 103 7.048 -0.353 -6.601 1.00 42.45 N ATOM 1614 CA MET A 103 5.981 -1.241 -6.247 1.00 14.00 C ATOM 1615 C MET A 103 5.411 -1.998 -7.446 1.00 65.11 C ATOM 1616 O MET A 103 5.099 -3.187 -7.321 1.00 12.35 O ATOM 1617 CB MET A 103 4.894 -0.506 -5.459 1.00 51.22 C ATOM 1618 CG MET A 103 4.451 0.773 -6.087 1.00 54.11 C ATOM 1619 SD MET A 103 3.111 1.569 -5.224 1.00 21.14 S ATOM 1620 CE MET A 103 1.869 0.365 -5.509 1.00 22.24 C ATOM 0 H MET A 103 6.809 0.637 -6.541 1.00 42.45 H new ATOM 0 HA MET A 103 6.408 -2.003 -5.595 1.00 14.00 H new ATOM 0 HB2 MET A 103 4.031 -1.163 -5.349 1.00 51.22 H new ATOM 0 HB3 MET A 103 5.265 -0.297 -4.456 1.00 51.22 H new ATOM 0 HG2 MET A 103 5.298 1.457 -6.134 1.00 54.11 H new ATOM 0 HG3 MET A 103 4.144 0.576 -7.114 1.00 54.11 H new ATOM 0 HE1 MET A 103 0.918 0.862 -5.702 1.00 22.24 H new ATOM 0 HE2 MET A 103 2.143 -0.243 -6.371 1.00 22.24 H new ATOM 0 HE3 MET A 103 1.773 -0.273 -4.631 1.00 22.24 H new ATOM 1630 N LYS A 104 5.303 -1.341 -8.612 1.00 22.43 N ATOM 1631 CA LYS A 104 4.775 -1.999 -9.784 1.00 54.41 C ATOM 1632 C LYS A 104 5.700 -3.125 -10.240 1.00 41.54 C ATOM 1633 O LYS A 104 5.242 -4.207 -10.587 1.00 2.44 O ATOM 1634 CB LYS A 104 4.423 -0.975 -10.906 1.00 4.34 C ATOM 1635 CG LYS A 104 5.546 -0.197 -11.566 1.00 11.30 C ATOM 1636 CD LYS A 104 6.339 -1.006 -12.562 1.00 13.13 C ATOM 1637 CE LYS A 104 7.394 -0.156 -13.237 1.00 12.24 C ATOM 1638 NZ LYS A 104 8.261 -0.954 -14.116 1.00 40.04 N ATOM 0 H LYS A 104 5.574 -0.368 -8.753 1.00 22.43 H new ATOM 0 HA LYS A 104 3.830 -2.474 -9.522 1.00 54.41 H new ATOM 0 HB2 LYS A 104 3.891 -1.514 -11.689 1.00 4.34 H new ATOM 0 HB3 LYS A 104 3.724 -0.252 -10.485 1.00 4.34 H new ATOM 0 HG2 LYS A 104 5.126 0.673 -12.070 1.00 11.30 H new ATOM 0 HG3 LYS A 104 6.220 0.176 -10.795 1.00 11.30 H new ATOM 0 HD2 LYS A 104 6.814 -1.847 -12.057 1.00 13.13 H new ATOM 0 HD3 LYS A 104 5.668 -1.423 -13.313 1.00 13.13 H new ATOM 0 HE2 LYS A 104 6.910 0.628 -13.819 1.00 12.24 H new ATOM 0 HE3 LYS A 104 8.002 0.338 -12.479 1.00 12.24 H new ATOM 0 HZ1 LYS A 104 8.844 -0.319 -14.698 1.00 40.04 H new ATOM 0 HZ2 LYS A 104 8.879 -1.559 -13.538 1.00 40.04 H new ATOM 0 HZ3 LYS A 104 7.674 -1.549 -14.735 1.00 40.04 H new ATOM 1652 N SER A 105 7.010 -2.880 -10.165 1.00 3.45 N ATOM 1653 CA SER A 105 7.992 -3.867 -10.561 1.00 1.15 C ATOM 1654 C SER A 105 7.984 -5.051 -9.600 1.00 15.23 C ATOM 1655 O SER A 105 8.108 -6.197 -10.015 1.00 34.22 O ATOM 1656 CB SER A 105 9.378 -3.231 -10.629 1.00 12.23 C ATOM 1657 OG SER A 105 9.376 -2.126 -11.521 1.00 32.13 O ATOM 0 H SER A 105 7.407 -2.001 -9.832 1.00 3.45 H new ATOM 0 HA SER A 105 7.733 -4.239 -11.552 1.00 1.15 H new ATOM 0 HB2 SER A 105 9.683 -2.903 -9.635 1.00 12.23 H new ATOM 0 HB3 SER A 105 10.108 -3.970 -10.959 1.00 12.23 H new ATOM 0 HG SER A 105 9.001 -1.341 -11.069 1.00 32.13 H new ATOM 1663 N HIS A 106 7.806 -4.777 -8.315 1.00 74.15 N ATOM 1664 CA HIS A 106 7.764 -5.841 -7.325 1.00 51.54 C ATOM 1665 C HIS A 106 6.562 -6.733 -7.535 1.00 71.43 C ATOM 1666 O HIS A 106 6.661 -7.959 -7.387 1.00 12.33 O ATOM 1667 CB HIS A 106 7.754 -5.300 -5.905 1.00 72.45 C ATOM 1668 CG HIS A 106 7.719 -6.393 -4.891 1.00 22.34 C ATOM 1669 ND1 HIS A 106 6.700 -6.567 -3.997 1.00 42.35 N ATOM 1670 CD2 HIS A 106 8.591 -7.368 -4.655 1.00 11.21 C ATOM 1671 CE1 HIS A 106 6.947 -7.591 -3.240 1.00 51.20 C ATOM 1672 NE2 HIS A 106 8.098 -8.104 -3.610 1.00 23.02 N ATOM 0 H HIS A 106 7.690 -3.837 -7.938 1.00 74.15 H new ATOM 0 HA HIS A 106 8.673 -6.427 -7.460 1.00 51.54 H new ATOM 0 HB2 HIS A 106 8.640 -4.685 -5.745 1.00 72.45 H new ATOM 0 HB3 HIS A 106 6.888 -4.652 -5.770 1.00 72.45 H new ATOM 0 HD1 HIS A 106 5.869 -5.979 -3.934 1.00 42.35 H new ATOM 0 HD2 HIS A 106 9.514 -7.546 -5.187 1.00 11.21 H new ATOM 0 HE1 HIS A 106 6.316 -7.958 -2.444 1.00 51.20 H new ATOM 1681 N CYS A 107 5.438 -6.135 -7.869 1.00 32.33 N ATOM 1682 CA CYS A 107 4.236 -6.893 -8.110 1.00 71.52 C ATOM 1683 C CYS A 107 4.452 -7.850 -9.272 1.00 62.43 C ATOM 1684 O CYS A 107 3.995 -8.983 -9.243 1.00 33.34 O ATOM 1685 CB CYS A 107 3.062 -5.970 -8.373 1.00 21.51 C ATOM 1686 SG CYS A 107 2.678 -4.857 -7.007 1.00 12.53 S ATOM 0 H CYS A 107 5.335 -5.126 -7.979 1.00 32.33 H new ATOM 0 HA CYS A 107 4.003 -7.477 -7.220 1.00 71.52 H new ATOM 0 HB2 CYS A 107 3.273 -5.376 -9.263 1.00 21.51 H new ATOM 0 HB3 CYS A 107 2.182 -6.574 -8.594 1.00 21.51 H new ATOM 0 HG CYS A 107 3.629 -3.980 -6.882 1.00 12.53 H new ATOM 1692 N LEU A 108 5.205 -7.399 -10.260 1.00 21.04 N ATOM 1693 CA LEU A 108 5.549 -8.213 -11.405 1.00 34.33 C ATOM 1694 C LEU A 108 6.368 -9.413 -10.977 1.00 34.11 C ATOM 1695 O LEU A 108 6.141 -10.526 -11.432 1.00 43.54 O ATOM 1696 CB LEU A 108 6.376 -7.406 -12.395 1.00 32.51 C ATOM 1697 CG LEU A 108 5.750 -6.132 -12.930 1.00 12.01 C ATOM 1698 CD1 LEU A 108 6.682 -5.465 -13.911 1.00 63.01 C ATOM 1699 CD2 LEU A 108 4.417 -6.423 -13.562 1.00 33.25 C ATOM 0 H LEU A 108 5.594 -6.456 -10.288 1.00 21.04 H new ATOM 0 HA LEU A 108 4.620 -8.543 -11.870 1.00 34.33 H new ATOM 0 HB2 LEU A 108 7.320 -7.146 -11.916 1.00 32.51 H new ATOM 0 HB3 LEU A 108 6.615 -8.049 -13.242 1.00 32.51 H new ATOM 0 HG LEU A 108 5.583 -5.447 -12.099 1.00 12.01 H new ATOM 0 HD11 LEU A 108 6.221 -4.552 -14.288 1.00 63.01 H new ATOM 0 HD12 LEU A 108 7.620 -5.219 -13.413 1.00 63.01 H new ATOM 0 HD13 LEU A 108 6.880 -6.141 -14.743 1.00 63.01 H new ATOM 0 HD21 LEU A 108 3.984 -5.497 -13.940 1.00 33.25 H new ATOM 0 HD22 LEU A 108 4.550 -7.124 -14.386 1.00 33.25 H new ATOM 0 HD23 LEU A 108 3.750 -6.859 -12.819 1.00 33.25 H new ATOM 1711 N LYS A 109 7.307 -9.181 -10.071 1.00 43.25 N ATOM 1712 CA LYS A 109 8.233 -10.221 -9.640 1.00 44.54 C ATOM 1713 C LYS A 109 7.565 -11.242 -8.751 1.00 54.10 C ATOM 1714 O LYS A 109 8.027 -12.370 -8.622 1.00 55.45 O ATOM 1715 CB LYS A 109 9.392 -9.585 -8.899 1.00 31.12 C ATOM 1716 CG LYS A 109 10.090 -8.547 -9.722 1.00 64.12 C ATOM 1717 CD LYS A 109 11.275 -7.919 -9.003 1.00 4.41 C ATOM 1718 CE LYS A 109 12.348 -8.939 -8.676 1.00 60.24 C ATOM 1719 NZ LYS A 109 13.507 -8.320 -8.014 1.00 61.43 N ATOM 0 H LYS A 109 7.449 -8.278 -9.618 1.00 43.25 H new ATOM 0 HA LYS A 109 8.589 -10.741 -10.530 1.00 44.54 H new ATOM 0 HB2 LYS A 109 9.026 -9.130 -7.978 1.00 31.12 H new ATOM 0 HB3 LYS A 109 10.105 -10.358 -8.612 1.00 31.12 H new ATOM 0 HG2 LYS A 109 10.434 -8.999 -10.652 1.00 64.12 H new ATOM 0 HG3 LYS A 109 9.379 -7.766 -9.991 1.00 64.12 H new ATOM 0 HD2 LYS A 109 11.701 -7.132 -9.625 1.00 4.41 H new ATOM 0 HD3 LYS A 109 10.932 -7.447 -8.083 1.00 4.41 H new ATOM 0 HE2 LYS A 109 11.930 -9.711 -8.030 1.00 60.24 H new ATOM 0 HE3 LYS A 109 12.673 -9.431 -9.593 1.00 60.24 H new ATOM 0 HZ1 LYS A 109 14.219 -9.049 -7.807 1.00 61.43 H new ATOM 0 HZ2 LYS A 109 13.921 -7.600 -8.640 1.00 61.43 H new ATOM 0 HZ3 LYS A 109 13.202 -7.872 -7.126 1.00 61.43 H new ATOM 1733 N ASN A 110 6.508 -10.838 -8.119 1.00 43.44 N ATOM 1734 CA ASN A 110 5.807 -11.726 -7.166 1.00 31.53 C ATOM 1735 C ASN A 110 4.507 -12.280 -7.706 1.00 15.44 C ATOM 1736 O ASN A 110 3.901 -13.144 -7.084 1.00 54.01 O ATOM 1737 CB ASN A 110 5.569 -11.061 -5.788 1.00 74.24 C ATOM 1738 CG ASN A 110 6.848 -10.752 -5.010 1.00 63.22 C ATOM 1739 OD1 ASN A 110 7.901 -10.385 -5.700 1.00 52.45 O flip ATOM 1740 ND2 ASN A 110 6.867 -10.805 -3.786 1.00 72.14 N flip ATOM 0 H ASN A 110 6.093 -9.912 -8.225 1.00 43.44 H new ATOM 0 HA ASN A 110 6.489 -12.565 -7.025 1.00 31.53 H new ATOM 0 HB2 ASN A 110 5.015 -10.134 -5.936 1.00 74.24 H new ATOM 0 HB3 ASN A 110 4.940 -11.716 -5.185 1.00 74.24 H new ATOM 0 HD21 ASN A 110 6.033 -11.094 -3.275 1.00 72.14 H new ATOM 0 HD22 ASN A 110 7.717 -10.560 -3.278 1.00 72.14 H new ATOM 1747 N GLY A 111 4.079 -11.793 -8.847 1.00 33.32 N ATOM 1748 CA GLY A 111 2.842 -12.272 -9.424 1.00 74.32 C ATOM 1749 C GLY A 111 1.632 -11.619 -8.796 1.00 23.14 C ATOM 1750 O GLY A 111 0.597 -12.256 -8.599 1.00 71.45 O ATOM 0 H GLY A 111 4.560 -11.075 -9.389 1.00 33.32 H new ATOM 0 HA2 GLY A 111 2.843 -12.077 -10.496 1.00 74.32 H new ATOM 0 HA3 GLY A 111 2.777 -13.353 -9.297 1.00 74.32 H new ATOM 1754 N VAL A 112 1.769 -10.359 -8.472 1.00 5.51 N ATOM 1755 CA VAL A 112 0.711 -9.596 -7.874 1.00 61.23 C ATOM 1756 C VAL A 112 0.088 -8.704 -8.932 1.00 5.33 C ATOM 1757 O VAL A 112 0.800 -8.009 -9.669 1.00 35.42 O ATOM 1758 CB VAL A 112 1.229 -8.731 -6.689 1.00 41.51 C ATOM 1759 CG1 VAL A 112 0.105 -7.918 -6.066 1.00 41.23 C ATOM 1760 CG2 VAL A 112 1.888 -9.609 -5.639 1.00 63.12 C ATOM 0 H VAL A 112 2.629 -9.831 -8.619 1.00 5.51 H new ATOM 0 HA VAL A 112 -0.033 -10.286 -7.477 1.00 61.23 H new ATOM 0 HB VAL A 112 1.970 -8.035 -7.083 1.00 41.51 H new ATOM 0 HG11 VAL A 112 0.499 -7.325 -5.241 1.00 41.23 H new ATOM 0 HG12 VAL A 112 -0.324 -7.255 -6.817 1.00 41.23 H new ATOM 0 HG13 VAL A 112 -0.667 -8.591 -5.692 1.00 41.23 H new ATOM 0 HG21 VAL A 112 2.245 -8.988 -4.817 1.00 63.12 H new ATOM 0 HG22 VAL A 112 1.163 -10.330 -5.261 1.00 63.12 H new ATOM 0 HG23 VAL A 112 2.729 -10.140 -6.084 1.00 63.12 H new ATOM 1770 N THR A 113 -1.211 -8.757 -9.036 1.00 53.21 N ATOM 1771 CA THR A 113 -1.947 -7.975 -10.005 1.00 1.00 C ATOM 1772 C THR A 113 -3.148 -7.271 -9.374 1.00 21.52 C ATOM 1773 O THR A 113 -3.962 -6.672 -10.080 1.00 14.32 O ATOM 1774 CB THR A 113 -2.389 -8.862 -11.191 1.00 71.25 C ATOM 1775 OG1 THR A 113 -2.906 -10.111 -10.694 1.00 60.43 O ATOM 1776 CG2 THR A 113 -1.244 -9.126 -12.153 1.00 30.02 C ATOM 0 H THR A 113 -1.799 -9.348 -8.448 1.00 53.21 H new ATOM 0 HA THR A 113 -1.279 -7.199 -10.379 1.00 1.00 H new ATOM 0 HB THR A 113 -3.167 -8.329 -11.738 1.00 71.25 H new ATOM 0 HG1 THR A 113 -3.187 -10.671 -11.447 1.00 60.43 H new ATOM 0 HG21 THR A 113 -1.595 -9.753 -12.973 1.00 30.02 H new ATOM 0 HG22 THR A 113 -0.878 -8.180 -12.551 1.00 30.02 H new ATOM 0 HG23 THR A 113 -0.437 -9.635 -11.627 1.00 30.02 H new ATOM 1784 N ASP A 114 -3.239 -7.313 -8.052 1.00 2.13 N ATOM 1785 CA ASP A 114 -4.310 -6.625 -7.333 1.00 21.33 C ATOM 1786 C ASP A 114 -3.746 -5.913 -6.114 1.00 34.44 C ATOM 1787 O ASP A 114 -2.973 -6.495 -5.341 1.00 45.51 O ATOM 1788 CB ASP A 114 -5.477 -7.563 -6.951 1.00 40.13 C ATOM 1789 CG ASP A 114 -6.227 -8.120 -8.154 1.00 2.23 C ATOM 1790 OD1 ASP A 114 -7.016 -7.390 -8.763 1.00 45.32 O ATOM 1791 OD2 ASP A 114 -6.042 -9.316 -8.494 1.00 71.10 O ATOM 0 H ASP A 114 -2.585 -7.816 -7.452 1.00 2.13 H new ATOM 0 HA ASP A 114 -4.734 -5.884 -8.011 1.00 21.33 H new ATOM 0 HB2 ASP A 114 -5.088 -8.392 -6.360 1.00 40.13 H new ATOM 0 HB3 ASP A 114 -6.177 -7.019 -6.316 1.00 40.13 H new ATOM 1796 N LEU A 115 -4.115 -4.662 -5.969 1.00 70.44 N ATOM 1797 CA LEU A 115 -3.589 -3.751 -4.933 1.00 51.23 C ATOM 1798 C LEU A 115 -4.673 -2.846 -4.325 1.00 63.34 C ATOM 1799 O LEU A 115 -5.610 -2.431 -5.016 1.00 24.14 O ATOM 1800 CB LEU A 115 -2.473 -2.860 -5.527 1.00 23.41 C ATOM 1801 CG LEU A 115 -1.158 -3.539 -5.899 1.00 71.13 C ATOM 1802 CD1 LEU A 115 -0.220 -2.531 -6.522 1.00 64.25 C ATOM 1803 CD2 LEU A 115 -0.511 -4.145 -4.667 1.00 14.23 C ATOM 0 H LEU A 115 -4.807 -4.221 -6.575 1.00 70.44 H new ATOM 0 HA LEU A 115 -3.197 -4.383 -4.136 1.00 51.23 H new ATOM 0 HB2 LEU A 115 -2.867 -2.377 -6.421 1.00 23.41 H new ATOM 0 HB3 LEU A 115 -2.253 -2.071 -4.808 1.00 23.41 H new ATOM 0 HG LEU A 115 -1.364 -4.333 -6.616 1.00 71.13 H new ATOM 0 HD11 LEU A 115 0.717 -3.021 -6.786 1.00 64.25 H new ATOM 0 HD12 LEU A 115 -0.677 -2.115 -7.420 1.00 64.25 H new ATOM 0 HD13 LEU A 115 -0.023 -1.729 -5.810 1.00 64.25 H new ATOM 0 HD21 LEU A 115 0.426 -4.626 -4.947 1.00 14.23 H new ATOM 0 HD22 LEU A 115 -0.312 -3.360 -3.937 1.00 14.23 H new ATOM 0 HD23 LEU A 115 -1.182 -4.885 -4.230 1.00 14.23 H new ATOM 1815 N SER A 116 -4.534 -2.547 -3.043 1.00 55.33 N ATOM 1816 CA SER A 116 -5.392 -1.619 -2.354 1.00 11.03 C ATOM 1817 C SER A 116 -4.539 -0.612 -1.579 1.00 21.21 C ATOM 1818 O SER A 116 -3.460 -0.960 -1.061 1.00 55.04 O ATOM 1819 CB SER A 116 -6.351 -2.364 -1.423 1.00 10.02 C ATOM 1820 OG SER A 116 -5.647 -3.221 -0.538 1.00 61.12 O ATOM 0 H SER A 116 -3.809 -2.952 -2.451 1.00 55.33 H new ATOM 0 HA SER A 116 -5.995 -1.077 -3.082 1.00 11.03 H new ATOM 0 HB2 SER A 116 -6.936 -1.645 -0.849 1.00 10.02 H new ATOM 0 HB3 SER A 116 -7.056 -2.948 -2.015 1.00 10.02 H new ATOM 0 HG SER A 116 -5.778 -4.153 -0.812 1.00 61.12 H new ATOM 1826 N MET A 117 -4.973 0.632 -1.542 1.00 62.24 N ATOM 1827 CA MET A 117 -4.253 1.675 -0.837 1.00 62.51 C ATOM 1828 C MET A 117 -5.164 2.865 -0.593 1.00 15.01 C ATOM 1829 O MET A 117 -6.238 2.954 -1.183 1.00 35.14 O ATOM 1830 CB MET A 117 -3.017 2.164 -1.645 1.00 74.54 C ATOM 1831 CG MET A 117 -3.331 2.786 -2.998 1.00 51.41 C ATOM 1832 SD MET A 117 -3.829 1.590 -4.235 1.00 44.54 S ATOM 1833 CE MET A 117 -2.316 0.651 -4.414 1.00 61.34 C ATOM 0 H MET A 117 -5.830 0.948 -1.997 1.00 62.24 H new ATOM 0 HA MET A 117 -3.915 1.251 0.109 1.00 62.51 H new ATOM 0 HB2 MET A 117 -2.476 2.895 -1.044 1.00 74.54 H new ATOM 0 HB3 MET A 117 -2.346 1.319 -1.799 1.00 74.54 H new ATOM 0 HG2 MET A 117 -4.125 3.522 -2.875 1.00 51.41 H new ATOM 0 HG3 MET A 117 -2.452 3.322 -3.355 1.00 51.41 H new ATOM 0 HE1 MET A 117 -2.289 0.189 -5.401 1.00 61.34 H new ATOM 0 HE2 MET A 117 -1.460 1.316 -4.301 1.00 61.34 H new ATOM 0 HE3 MET A 117 -2.277 -0.125 -3.649 1.00 61.34 H new ATOM 1843 N PRO A 118 -4.782 3.771 0.314 1.00 34.31 N ATOM 1844 CA PRO A 118 -5.468 5.034 0.481 1.00 34.21 C ATOM 1845 C PRO A 118 -4.797 6.078 -0.425 1.00 70.04 C ATOM 1846 O PRO A 118 -4.106 5.726 -1.395 1.00 41.15 O ATOM 1847 CB PRO A 118 -5.173 5.354 1.943 1.00 73.34 C ATOM 1848 CG PRO A 118 -3.776 4.879 2.121 1.00 32.52 C ATOM 1849 CD PRO A 118 -3.667 3.627 1.290 1.00 53.14 C ATOM 0 HA PRO A 118 -6.530 5.018 0.237 1.00 34.21 H new ATOM 0 HB2 PRO A 118 -5.265 6.421 2.148 1.00 73.34 H new ATOM 0 HB3 PRO A 118 -5.861 4.840 2.614 1.00 73.34 H new ATOM 0 HG2 PRO A 118 -3.060 5.632 1.791 1.00 32.52 H new ATOM 0 HG3 PRO A 118 -3.562 4.674 3.170 1.00 32.52 H new ATOM 0 HD2 PRO A 118 -2.701 3.558 0.791 1.00 53.14 H new ATOM 0 HD3 PRO A 118 -3.777 2.729 1.898 1.00 53.14 H new ATOM 1857 N ARG A 119 -4.980 7.334 -0.129 1.00 60.31 N ATOM 1858 CA ARG A 119 -4.304 8.359 -0.875 1.00 71.52 C ATOM 1859 C ARG A 119 -2.841 8.452 -0.433 1.00 22.44 C ATOM 1860 O ARG A 119 -2.497 9.212 0.464 1.00 12.32 O ATOM 1861 CB ARG A 119 -5.026 9.696 -0.744 1.00 14.53 C ATOM 1862 CG ARG A 119 -6.414 9.694 -1.371 1.00 63.12 C ATOM 1863 CD ARG A 119 -7.152 10.983 -1.080 1.00 63.53 C ATOM 1864 NE ARG A 119 -7.430 11.136 0.356 1.00 14.33 N ATOM 1865 CZ ARG A 119 -7.650 12.305 0.976 1.00 22.10 C ATOM 1866 NH1 ARG A 119 -7.603 13.446 0.295 1.00 51.12 N ATOM 1867 NH2 ARG A 119 -7.950 12.321 2.267 1.00 70.05 N ATOM 0 H ARG A 119 -5.587 7.672 0.618 1.00 60.31 H new ATOM 0 HA ARG A 119 -4.318 8.094 -1.932 1.00 71.52 H new ATOM 0 HB2 ARG A 119 -5.112 9.953 0.312 1.00 14.53 H new ATOM 0 HB3 ARG A 119 -4.424 10.474 -1.213 1.00 14.53 H new ATOM 0 HG2 ARG A 119 -6.328 9.557 -2.449 1.00 63.12 H new ATOM 0 HG3 ARG A 119 -6.987 8.850 -0.987 1.00 63.12 H new ATOM 0 HD2 ARG A 119 -6.559 11.829 -1.428 1.00 63.53 H new ATOM 0 HD3 ARG A 119 -8.089 11.000 -1.636 1.00 63.53 H new ATOM 0 HE ARG A 119 -7.458 10.289 0.924 1.00 14.33 H new ATOM 0 HH11 ARG A 119 -7.399 13.435 -0.704 1.00 51.12 H new ATOM 0 HH12 ARG A 119 -7.771 14.332 0.772 1.00 51.12 H new ATOM 0 HH21 ARG A 119 -8.013 11.446 2.787 1.00 70.05 H new ATOM 0 HH22 ARG A 119 -8.118 13.209 2.741 1.00 70.05 H new ATOM 1980 N LEU A 127 0.099 19.177 -2.907 1.00 44.22 N ATOM 1981 CA LEU A 127 -0.142 18.403 -4.090 1.00 44.12 C ATOM 1982 C LEU A 127 -1.567 17.961 -4.134 1.00 32.23 C ATOM 1983 O LEU A 127 -2.246 17.944 -3.105 1.00 42.55 O ATOM 1984 CB LEU A 127 0.838 17.230 -4.320 1.00 74.10 C ATOM 1985 CG LEU A 127 0.960 16.140 -3.265 1.00 34.44 C ATOM 1986 CD1 LEU A 127 1.763 14.998 -3.852 1.00 13.32 C ATOM 1987 CD2 LEU A 127 1.689 16.671 -2.053 1.00 63.20 C ATOM 0 HA LEU A 127 0.056 19.071 -4.928 1.00 44.12 H new ATOM 0 HB2 LEU A 127 0.558 16.748 -5.257 1.00 74.10 H new ATOM 0 HB3 LEU A 127 1.830 17.657 -4.466 1.00 74.10 H new ATOM 0 HG LEU A 127 -0.034 15.806 -2.968 1.00 34.44 H new ATOM 0 HD11 LEU A 127 1.863 14.205 -3.111 1.00 13.32 H new ATOM 0 HD12 LEU A 127 1.253 14.610 -4.733 1.00 13.32 H new ATOM 0 HD13 LEU A 127 2.753 15.357 -4.135 1.00 13.32 H new ATOM 0 HD21 LEU A 127 1.771 15.884 -1.304 1.00 63.20 H new ATOM 0 HD22 LEU A 127 2.686 17.001 -2.344 1.00 63.20 H new ATOM 0 HD23 LEU A 127 1.136 17.513 -1.636 1.00 63.20 H new ATOM 1999 N GLN A 128 -2.021 17.630 -5.303 1.00 55.43 N ATOM 2000 CA GLN A 128 -3.358 17.253 -5.528 1.00 52.25 C ATOM 2001 C GLN A 128 -3.398 15.802 -5.946 1.00 10.35 C ATOM 2002 O GLN A 128 -2.613 15.382 -6.813 1.00 64.42 O ATOM 2003 CB GLN A 128 -3.911 18.136 -6.630 1.00 65.31 C ATOM 2004 CG GLN A 128 -5.306 17.807 -7.039 1.00 75.05 C ATOM 2005 CD GLN A 128 -5.793 18.678 -8.170 1.00 5.15 C ATOM 2006 OE1 GLN A 128 -5.009 19.129 -9.003 1.00 12.54 O ATOM 2007 NE2 GLN A 128 -7.071 18.907 -8.224 1.00 1.33 N ATOM 0 H GLN A 128 -1.444 17.618 -6.144 1.00 55.43 H new ATOM 0 HA GLN A 128 -3.957 17.371 -4.625 1.00 52.25 H new ATOM 0 HB2 GLN A 128 -3.877 19.174 -6.299 1.00 65.31 H new ATOM 0 HB3 GLN A 128 -3.261 18.058 -7.502 1.00 65.31 H new ATOM 0 HG2 GLN A 128 -5.356 16.761 -7.342 1.00 75.05 H new ATOM 0 HG3 GLN A 128 -5.970 17.923 -6.182 1.00 75.05 H new ATOM 0 HE21 GLN A 128 -7.690 18.515 -7.514 1.00 1.33 H new ATOM 0 HE22 GLN A 128 -7.455 19.479 -8.976 1.00 1.33 H new ATOM 2016 N TRP A 129 -4.305 15.043 -5.352 1.00 70.31 N ATOM 2017 CA TRP A 129 -4.446 13.625 -5.648 1.00 53.23 C ATOM 2018 C TRP A 129 -4.709 13.365 -7.134 1.00 42.13 C ATOM 2019 O TRP A 129 -4.249 12.374 -7.675 1.00 24.31 O ATOM 2020 CB TRP A 129 -5.530 12.968 -4.774 1.00 43.13 C ATOM 2021 CG TRP A 129 -5.821 11.561 -5.187 1.00 33.32 C ATOM 2022 CD1 TRP A 129 -6.874 11.139 -5.939 1.00 44.23 C ATOM 2023 CD2 TRP A 129 -5.033 10.400 -4.920 1.00 54.13 C ATOM 2024 NE1 TRP A 129 -6.788 9.801 -6.154 1.00 62.23 N ATOM 2025 CE2 TRP A 129 -5.678 9.314 -5.538 1.00 12.22 C ATOM 2026 CE3 TRP A 129 -3.853 10.168 -4.218 1.00 30.23 C ATOM 2027 CZ2 TRP A 129 -5.184 8.022 -5.481 1.00 64.14 C ATOM 2028 CZ3 TRP A 129 -3.364 8.883 -4.162 1.00 12.22 C ATOM 2029 CH2 TRP A 129 -4.028 7.823 -4.790 1.00 4.20 C ATOM 0 H TRP A 129 -4.962 15.390 -4.654 1.00 70.31 H new ATOM 0 HA TRP A 129 -3.490 13.161 -5.403 1.00 53.23 H new ATOM 0 HB2 TRP A 129 -5.209 12.979 -3.732 1.00 43.13 H new ATOM 0 HB3 TRP A 129 -6.445 13.557 -4.831 1.00 43.13 H new ATOM 0 HD1 TRP A 129 -7.663 11.776 -6.311 1.00 44.23 H new ATOM 0 HE1 TRP A 129 -7.453 9.247 -6.694 1.00 62.23 H new ATOM 0 HE3 TRP A 129 -3.333 10.978 -3.729 1.00 30.23 H new ATOM 0 HZ2 TRP A 129 -5.696 7.204 -5.966 1.00 64.14 H new ATOM 0 HZ3 TRP A 129 -2.449 8.688 -3.622 1.00 12.22 H new ATOM 0 HH2 TRP A 129 -3.615 6.827 -4.725 1.00 4.20 H new ATOM 2040 N GLU A 130 -5.434 14.261 -7.774 1.00 11.51 N ATOM 2041 CA GLU A 130 -5.740 14.154 -9.202 1.00 4.14 C ATOM 2042 C GLU A 130 -4.455 13.973 -10.034 1.00 51.50 C ATOM 2043 O GLU A 130 -4.374 13.092 -10.906 1.00 62.33 O ATOM 2044 CB GLU A 130 -6.467 15.407 -9.648 1.00 72.42 C ATOM 2045 CG GLU A 130 -6.834 15.433 -11.108 1.00 12.42 C ATOM 2046 CD GLU A 130 -7.501 16.712 -11.479 1.00 51.04 C ATOM 2047 OE1 GLU A 130 -8.735 16.801 -11.350 1.00 3.24 O ATOM 2048 OE2 GLU A 130 -6.799 17.662 -11.898 1.00 12.21 O ATOM 0 H GLU A 130 -5.831 15.087 -7.326 1.00 11.51 H new ATOM 0 HA GLU A 130 -6.370 13.279 -9.360 1.00 4.14 H new ATOM 0 HB2 GLU A 130 -7.376 15.514 -9.056 1.00 72.42 H new ATOM 0 HB3 GLU A 130 -5.841 16.272 -9.429 1.00 72.42 H new ATOM 0 HG2 GLU A 130 -5.937 15.300 -11.712 1.00 12.42 H new ATOM 0 HG3 GLU A 130 -7.496 14.597 -11.333 1.00 12.42 H new ATOM 2055 N ASN A 131 -3.449 14.787 -9.725 1.00 60.32 N ATOM 2056 CA ASN A 131 -2.164 14.747 -10.427 1.00 60.21 C ATOM 2057 C ASN A 131 -1.481 13.426 -10.131 1.00 22.22 C ATOM 2058 O ASN A 131 -0.865 12.806 -11.009 1.00 52.12 O ATOM 2059 CB ASN A 131 -1.243 15.892 -9.966 1.00 73.14 C ATOM 2060 CG ASN A 131 -1.835 17.278 -10.125 1.00 3.11 C ATOM 2061 OD1 ASN A 131 -2.660 17.530 -10.997 1.00 53.32 O ATOM 2062 ND2 ASN A 131 -1.405 18.188 -9.287 1.00 11.24 N ATOM 0 H ASN A 131 -3.498 15.489 -8.987 1.00 60.32 H new ATOM 0 HA ASN A 131 -2.352 14.857 -11.495 1.00 60.21 H new ATOM 0 HB2 ASN A 131 -0.989 15.737 -8.917 1.00 73.14 H new ATOM 0 HB3 ASN A 131 -0.312 15.842 -10.530 1.00 73.14 H new ATOM 0 HD21 ASN A 131 -1.757 19.143 -9.347 1.00 11.24 H new ATOM 0 HD22 ASN A 131 -0.718 17.941 -8.574 1.00 11.24 H new ATOM 2069 N VAL A 132 -1.608 13.001 -8.881 1.00 44.10 N ATOM 2070 CA VAL A 132 -1.051 11.748 -8.410 1.00 0.42 C ATOM 2071 C VAL A 132 -1.687 10.573 -9.150 1.00 20.44 C ATOM 2072 O VAL A 132 -0.981 9.717 -9.661 1.00 52.40 O ATOM 2073 CB VAL A 132 -1.261 11.575 -6.881 1.00 52.12 C ATOM 2074 CG1 VAL A 132 -0.714 10.243 -6.407 1.00 51.25 C ATOM 2075 CG2 VAL A 132 -0.608 12.719 -6.116 1.00 40.30 C ATOM 0 H VAL A 132 -2.106 13.525 -8.161 1.00 44.10 H new ATOM 0 HA VAL A 132 0.020 11.767 -8.611 1.00 0.42 H new ATOM 0 HB VAL A 132 -2.333 11.594 -6.684 1.00 52.12 H new ATOM 0 HG11 VAL A 132 -0.873 10.146 -5.333 1.00 51.25 H new ATOM 0 HG12 VAL A 132 -1.228 9.433 -6.925 1.00 51.25 H new ATOM 0 HG13 VAL A 132 0.353 10.191 -6.622 1.00 51.25 H new ATOM 0 HG21 VAL A 132 -0.767 12.579 -5.047 1.00 40.30 H new ATOM 0 HG22 VAL A 132 0.462 12.733 -6.325 1.00 40.30 H new ATOM 0 HG23 VAL A 132 -1.051 13.665 -6.428 1.00 40.30 H new ATOM 2085 N SER A 133 -3.020 10.572 -9.219 1.00 3.53 N ATOM 2086 CA SER A 133 -3.787 9.544 -9.892 1.00 41.15 C ATOM 2087 C SER A 133 -3.299 9.360 -11.312 1.00 44.14 C ATOM 2088 O SER A 133 -3.026 8.239 -11.726 1.00 22.24 O ATOM 2089 CB SER A 133 -5.285 9.916 -9.888 1.00 71.32 C ATOM 2090 OG SER A 133 -6.072 8.957 -10.589 1.00 62.31 O ATOM 0 H SER A 133 -3.597 11.301 -8.799 1.00 3.53 H new ATOM 0 HA SER A 133 -3.653 8.604 -9.357 1.00 41.15 H new ATOM 0 HB2 SER A 133 -5.637 9.993 -8.859 1.00 71.32 H new ATOM 0 HB3 SER A 133 -5.417 10.897 -10.344 1.00 71.32 H new ATOM 0 HG SER A 133 -5.839 8.976 -11.541 1.00 62.31 H new ATOM 2096 N ALA A 134 -3.157 10.466 -12.038 1.00 61.31 N ATOM 2097 CA ALA A 134 -2.697 10.418 -13.411 1.00 62.14 C ATOM 2098 C ALA A 134 -1.319 9.763 -13.494 1.00 73.44 C ATOM 2099 O ALA A 134 -1.116 8.855 -14.271 1.00 71.11 O ATOM 2100 CB ALA A 134 -2.683 11.813 -14.012 1.00 73.45 C ATOM 0 H ALA A 134 -3.356 11.405 -11.692 1.00 61.31 H new ATOM 0 HA ALA A 134 -3.389 9.808 -13.992 1.00 62.14 H new ATOM 0 HB1 ALA A 134 -2.335 11.761 -15.044 1.00 73.45 H new ATOM 0 HB2 ALA A 134 -3.690 12.229 -13.989 1.00 73.45 H new ATOM 0 HB3 ALA A 134 -2.014 12.451 -13.435 1.00 73.45 H new ATOM 2106 N MET A 135 -0.405 10.210 -12.648 1.00 63.34 N ATOM 2107 CA MET A 135 0.955 9.672 -12.591 1.00 51.22 C ATOM 2108 C MET A 135 0.969 8.173 -12.232 1.00 4.43 C ATOM 2109 O MET A 135 1.764 7.406 -12.779 1.00 24.54 O ATOM 2110 CB MET A 135 1.814 10.493 -11.622 1.00 12.14 C ATOM 2111 CG MET A 135 3.257 10.025 -11.499 1.00 74.34 C ATOM 2112 SD MET A 135 4.264 11.130 -10.483 1.00 21.13 S ATOM 2113 CE MET A 135 3.392 11.074 -8.921 1.00 74.22 C ATOM 0 H MET A 135 -0.581 10.958 -11.977 1.00 63.34 H new ATOM 0 HA MET A 135 1.389 9.756 -13.587 1.00 51.22 H new ATOM 0 HB2 MET A 135 1.810 11.534 -11.947 1.00 12.14 H new ATOM 0 HB3 MET A 135 1.352 10.465 -10.635 1.00 12.14 H new ATOM 0 HG2 MET A 135 3.275 9.024 -11.067 1.00 74.34 H new ATOM 0 HG3 MET A 135 3.697 9.951 -12.494 1.00 74.34 H new ATOM 0 HE1 MET A 135 4.089 11.278 -8.108 1.00 74.22 H new ATOM 0 HE2 MET A 135 2.602 11.825 -8.918 1.00 74.22 H new ATOM 0 HE3 MET A 135 2.954 10.085 -8.784 1.00 74.22 H new ATOM 2123 N ILE A 136 0.085 7.761 -11.331 1.00 32.34 N ATOM 2124 CA ILE A 136 -0.042 6.348 -10.968 1.00 2.15 C ATOM 2125 C ILE A 136 -0.485 5.547 -12.190 1.00 1.33 C ATOM 2126 O ILE A 136 0.075 4.488 -12.497 1.00 22.22 O ATOM 2127 CB ILE A 136 -1.061 6.136 -9.812 1.00 44.45 C ATOM 2128 CG1 ILE A 136 -0.586 6.843 -8.537 1.00 10.21 C ATOM 2129 CG2 ILE A 136 -1.295 4.648 -9.548 1.00 72.40 C ATOM 2130 CD1 ILE A 136 -1.550 6.723 -7.374 1.00 10.31 C ATOM 0 H ILE A 136 -0.556 8.382 -10.837 1.00 32.34 H new ATOM 0 HA ILE A 136 0.932 6.003 -10.622 1.00 2.15 H new ATOM 0 HB ILE A 136 -2.011 6.575 -10.117 1.00 44.45 H new ATOM 0 HG12 ILE A 136 0.378 6.429 -8.241 1.00 10.21 H new ATOM 0 HG13 ILE A 136 -0.426 7.899 -8.756 1.00 10.21 H new ATOM 0 HG21 ILE A 136 -2.012 4.531 -8.735 1.00 72.40 H new ATOM 0 HG22 ILE A 136 -1.688 4.176 -10.449 1.00 72.40 H new ATOM 0 HG23 ILE A 136 -0.353 4.175 -9.272 1.00 72.40 H new ATOM 0 HD11 ILE A 136 -1.144 7.248 -6.509 1.00 10.31 H new ATOM 0 HD12 ILE A 136 -2.509 7.163 -7.649 1.00 10.31 H new ATOM 0 HD13 ILE A 136 -1.692 5.671 -7.126 1.00 10.31 H new ATOM 2142 N GLU A 137 -1.469 6.077 -12.892 1.00 12.52 N ATOM 2143 CA GLU A 137 -1.986 5.464 -14.102 1.00 55.01 C ATOM 2144 C GLU A 137 -0.901 5.403 -15.180 1.00 31.23 C ATOM 2145 O GLU A 137 -0.845 4.453 -15.954 1.00 75.22 O ATOM 2146 CB GLU A 137 -3.219 6.228 -14.589 1.00 11.41 C ATOM 2147 CG GLU A 137 -4.373 6.186 -13.594 1.00 30.40 C ATOM 2148 CD GLU A 137 -5.550 7.035 -14.000 1.00 30.43 C ATOM 2149 OE1 GLU A 137 -6.256 6.669 -14.968 1.00 15.11 O ATOM 2150 OE2 GLU A 137 -5.806 8.075 -13.354 1.00 21.54 O ATOM 0 H GLU A 137 -1.934 6.948 -12.638 1.00 12.52 H new ATOM 0 HA GLU A 137 -2.287 4.440 -13.882 1.00 55.01 H new ATOM 0 HB2 GLU A 137 -2.946 7.266 -14.778 1.00 11.41 H new ATOM 0 HB3 GLU A 137 -3.549 5.808 -15.539 1.00 11.41 H new ATOM 0 HG2 GLU A 137 -4.703 5.154 -13.477 1.00 30.40 H new ATOM 0 HG3 GLU A 137 -4.014 6.519 -12.620 1.00 30.40 H new ATOM 2157 N GLU A 138 -0.030 6.416 -15.205 1.00 33.15 N ATOM 2158 CA GLU A 138 1.098 6.448 -16.131 1.00 50.43 C ATOM 2159 C GLU A 138 2.049 5.290 -15.867 1.00 24.42 C ATOM 2160 O GLU A 138 2.424 4.564 -16.784 1.00 65.21 O ATOM 2161 CB GLU A 138 1.900 7.742 -16.008 1.00 61.42 C ATOM 2162 CG GLU A 138 1.147 9.018 -16.293 1.00 54.25 C ATOM 2163 CD GLU A 138 2.073 10.195 -16.278 1.00 70.35 C ATOM 2164 OE1 GLU A 138 2.723 10.460 -17.309 1.00 31.34 O ATOM 2165 OE2 GLU A 138 2.183 10.872 -15.249 1.00 43.35 O ATOM 0 H GLU A 138 -0.088 7.227 -14.590 1.00 33.15 H new ATOM 0 HA GLU A 138 0.673 6.376 -17.132 1.00 50.43 H new ATOM 0 HB2 GLU A 138 2.304 7.800 -14.998 1.00 61.42 H new ATOM 0 HB3 GLU A 138 2.750 7.685 -16.689 1.00 61.42 H new ATOM 0 HG2 GLU A 138 0.657 8.947 -17.264 1.00 54.25 H new ATOM 0 HG3 GLU A 138 0.363 9.157 -15.549 1.00 54.25 H new ATOM 2172 N VAL A 139 2.442 5.141 -14.614 1.00 20.32 N ATOM 2173 CA VAL A 139 3.378 4.095 -14.196 1.00 52.12 C ATOM 2174 C VAL A 139 2.783 2.700 -14.417 1.00 0.45 C ATOM 2175 O VAL A 139 3.422 1.807 -14.980 1.00 60.04 O ATOM 2176 CB VAL A 139 3.774 4.273 -12.693 1.00 44.12 C ATOM 2177 CG1 VAL A 139 4.643 3.126 -12.214 1.00 34.45 C ATOM 2178 CG2 VAL A 139 4.506 5.594 -12.484 1.00 54.55 C ATOM 0 H VAL A 139 2.124 5.739 -13.852 1.00 20.32 H new ATOM 0 HA VAL A 139 4.273 4.190 -14.810 1.00 52.12 H new ATOM 0 HB VAL A 139 2.854 4.277 -12.109 1.00 44.12 H new ATOM 0 HG11 VAL A 139 4.902 3.278 -11.166 1.00 34.45 H new ATOM 0 HG12 VAL A 139 4.098 2.188 -12.321 1.00 34.45 H new ATOM 0 HG13 VAL A 139 5.554 3.086 -12.811 1.00 34.45 H new ATOM 0 HG21 VAL A 139 4.773 5.700 -11.433 1.00 54.55 H new ATOM 0 HG22 VAL A 139 5.411 5.609 -13.092 1.00 54.55 H new ATOM 0 HG23 VAL A 139 3.858 6.420 -12.778 1.00 54.55 H new ATOM 2188 N PHE A 140 1.566 2.541 -13.995 1.00 63.14 N ATOM 2189 CA PHE A 140 0.869 1.276 -14.070 1.00 20.21 C ATOM 2190 C PHE A 140 0.325 0.867 -15.431 1.00 5.21 C ATOM 2191 O PHE A 140 -0.094 -0.258 -15.573 1.00 21.52 O ATOM 2192 CB PHE A 140 -0.184 1.108 -12.996 1.00 71.14 C ATOM 2193 CG PHE A 140 0.335 0.603 -11.685 1.00 43.44 C ATOM 2194 CD1 PHE A 140 0.457 -0.761 -11.486 1.00 60.12 C ATOM 2195 CD2 PHE A 140 0.668 1.453 -10.649 1.00 12.33 C ATOM 2196 CE1 PHE A 140 0.894 -1.266 -10.304 1.00 2.02 C ATOM 2197 CE2 PHE A 140 1.106 0.933 -9.441 1.00 51.03 C ATOM 2198 CZ PHE A 140 1.210 -0.438 -9.285 1.00 62.15 C ATOM 0 H PHE A 140 1.014 3.292 -13.581 1.00 63.14 H new ATOM 0 HA PHE A 140 1.680 0.573 -13.881 1.00 20.21 H new ATOM 0 HB2 PHE A 140 -0.673 2.068 -12.832 1.00 71.14 H new ATOM 0 HB3 PHE A 140 -0.947 0.419 -13.359 1.00 71.14 H new ATOM 0 HD1 PHE A 140 0.199 -1.438 -12.287 1.00 60.12 H new ATOM 0 HD2 PHE A 140 0.587 2.522 -10.780 1.00 12.33 H new ATOM 0 HE1 PHE A 140 0.989 -2.334 -10.178 1.00 2.02 H new ATOM 0 HE2 PHE A 140 1.364 1.594 -8.627 1.00 51.03 H new ATOM 0 HZ PHE A 140 1.545 -0.848 -8.344 1.00 62.15 H new ATOM 2208 N GLU A 141 0.267 1.769 -16.397 1.00 63.22 N ATOM 2209 CA GLU A 141 -0.326 1.476 -17.705 1.00 40.30 C ATOM 2210 C GLU A 141 0.085 0.099 -18.290 1.00 4.10 C ATOM 2211 O GLU A 141 -0.778 -0.709 -18.649 1.00 21.23 O ATOM 2212 CB GLU A 141 -0.037 2.591 -18.701 1.00 15.33 C ATOM 2213 CG GLU A 141 -0.713 2.368 -20.024 1.00 60.04 C ATOM 2214 CD GLU A 141 -0.438 3.449 -21.023 1.00 63.20 C ATOM 2215 OE1 GLU A 141 -1.185 4.453 -21.045 1.00 72.23 O ATOM 2216 OE2 GLU A 141 0.518 3.318 -21.807 1.00 41.40 O ATOM 0 H GLU A 141 0.625 2.720 -16.305 1.00 63.22 H new ATOM 0 HA GLU A 141 -1.401 1.420 -17.531 1.00 40.30 H new ATOM 0 HB2 GLU A 141 -0.367 3.542 -18.283 1.00 15.33 H new ATOM 0 HB3 GLU A 141 1.039 2.667 -18.855 1.00 15.33 H new ATOM 0 HG2 GLU A 141 -0.386 1.413 -20.434 1.00 60.04 H new ATOM 0 HG3 GLU A 141 -1.789 2.295 -19.866 1.00 60.04 H new ATOM 2223 N ALA A 142 1.368 -0.174 -18.319 1.00 62.33 N ATOM 2224 CA ALA A 142 1.883 -1.422 -18.910 1.00 43.13 C ATOM 2225 C ALA A 142 1.860 -2.613 -17.936 1.00 30.21 C ATOM 2226 O ALA A 142 2.326 -3.709 -18.274 1.00 1.55 O ATOM 2227 CB ALA A 142 3.282 -1.222 -19.462 1.00 71.40 C ATOM 0 H ALA A 142 2.089 0.442 -17.944 1.00 62.33 H new ATOM 0 HA ALA A 142 1.204 -1.671 -19.726 1.00 43.13 H new ATOM 0 HB1 ALA A 142 3.640 -2.157 -19.893 1.00 71.40 H new ATOM 0 HB2 ALA A 142 3.262 -0.451 -20.233 1.00 71.40 H new ATOM 0 HB3 ALA A 142 3.950 -0.914 -18.658 1.00 71.40 H new ATOM 2233 N THR A 143 1.336 -2.412 -16.759 1.00 55.25 N ATOM 2234 CA THR A 143 1.237 -3.463 -15.768 1.00 61.03 C ATOM 2235 C THR A 143 -0.221 -3.651 -15.395 1.00 5.32 C ATOM 2236 O THR A 143 -0.841 -2.741 -14.846 1.00 62.01 O ATOM 2237 CB THR A 143 2.036 -3.090 -14.497 1.00 51.12 C ATOM 2238 OG1 THR A 143 1.594 -1.827 -14.023 1.00 24.10 O ATOM 2239 CG2 THR A 143 3.507 -2.997 -14.778 1.00 51.24 C ATOM 0 H THR A 143 0.962 -1.514 -16.453 1.00 55.25 H new ATOM 0 HA THR A 143 1.647 -4.382 -16.186 1.00 61.03 H new ATOM 0 HB THR A 143 1.868 -3.871 -13.755 1.00 51.12 H new ATOM 0 HG1 THR A 143 0.660 -1.687 -14.286 1.00 24.10 H new ATOM 0 HG21 THR A 143 4.036 -2.733 -13.862 1.00 51.24 H new ATOM 0 HG22 THR A 143 3.869 -3.958 -15.143 1.00 51.24 H new ATOM 0 HG23 THR A 143 3.685 -2.232 -15.534 1.00 51.24 H new ATOM 2247 N ASP A 144 -0.784 -4.797 -15.666 1.00 12.34 N ATOM 2248 CA ASP A 144 -2.195 -4.974 -15.367 1.00 23.35 C ATOM 2249 C ASP A 144 -2.427 -5.318 -13.910 1.00 4.42 C ATOM 2250 O ASP A 144 -2.706 -6.462 -13.534 1.00 13.25 O ATOM 2251 CB ASP A 144 -2.922 -5.927 -16.317 1.00 61.03 C ATOM 2252 CG ASP A 144 -4.406 -5.992 -16.026 1.00 65.14 C ATOM 2253 OD1 ASP A 144 -5.089 -4.944 -16.149 1.00 22.42 O ATOM 2254 OD2 ASP A 144 -4.902 -7.074 -15.643 1.00 51.31 O ATOM 0 H ASP A 144 -0.314 -5.603 -16.079 1.00 12.34 H new ATOM 0 HA ASP A 144 -2.652 -4.001 -15.547 1.00 23.35 H new ATOM 0 HB2 ASP A 144 -2.768 -5.601 -17.346 1.00 61.03 H new ATOM 0 HB3 ASP A 144 -2.491 -6.924 -16.230 1.00 61.03 H new ATOM 2259 N ILE A 145 -2.246 -4.329 -13.090 1.00 44.43 N ATOM 2260 CA ILE A 145 -2.408 -4.450 -11.683 1.00 14.50 C ATOM 2261 C ILE A 145 -3.526 -3.510 -11.269 1.00 73.04 C ATOM 2262 O ILE A 145 -3.476 -2.309 -11.543 1.00 12.21 O ATOM 2263 CB ILE A 145 -1.069 -4.126 -10.936 1.00 43.04 C ATOM 2264 CG1 ILE A 145 0.058 -4.992 -11.543 1.00 74.44 C ATOM 2265 CG2 ILE A 145 -1.211 -4.406 -9.446 1.00 43.24 C ATOM 2266 CD1 ILE A 145 1.432 -4.696 -11.023 1.00 61.22 C ATOM 0 H ILE A 145 -1.975 -3.394 -13.393 1.00 44.43 H new ATOM 0 HA ILE A 145 -2.669 -5.473 -11.413 1.00 14.50 H new ATOM 0 HB ILE A 145 -0.826 -3.070 -11.057 1.00 43.04 H new ATOM 0 HG12 ILE A 145 -0.168 -6.041 -11.353 1.00 74.44 H new ATOM 0 HG13 ILE A 145 0.058 -4.856 -12.625 1.00 74.44 H new ATOM 0 HG21 ILE A 145 -0.273 -4.176 -8.942 1.00 43.24 H new ATOM 0 HG22 ILE A 145 -2.006 -3.785 -9.033 1.00 43.24 H new ATOM 0 HG23 ILE A 145 -1.456 -5.457 -9.295 1.00 43.24 H new ATOM 0 HD11 ILE A 145 2.154 -5.353 -11.508 1.00 61.22 H new ATOM 0 HD12 ILE A 145 1.686 -3.658 -11.237 1.00 61.22 H new ATOM 0 HD13 ILE A 145 1.457 -4.861 -9.946 1.00 61.22 H new ATOM 2278 N LYS A 146 -4.549 -4.070 -10.675 1.00 64.34 N ATOM 2279 CA LYS A 146 -5.727 -3.324 -10.298 1.00 22.51 C ATOM 2280 C LYS A 146 -5.539 -2.646 -9.007 1.00 11.51 C ATOM 2281 O LYS A 146 -5.121 -3.250 -8.032 1.00 53.40 O ATOM 2282 CB LYS A 146 -6.991 -4.185 -10.291 1.00 13.43 C ATOM 2283 CG LYS A 146 -7.571 -4.477 -11.694 1.00 3.15 C ATOM 2284 CD LYS A 146 -6.592 -5.195 -12.618 1.00 21.21 C ATOM 2285 CE LYS A 146 -6.280 -6.596 -12.130 1.00 3.43 C ATOM 2286 NZ LYS A 146 -5.285 -7.273 -12.979 1.00 34.12 N ATOM 0 H LYS A 146 -4.590 -5.061 -10.437 1.00 64.34 H new ATOM 0 HA LYS A 146 -5.871 -2.562 -11.064 1.00 22.51 H new ATOM 0 HB2 LYS A 146 -6.769 -5.132 -9.799 1.00 13.43 H new ATOM 0 HB3 LYS A 146 -7.753 -3.686 -9.693 1.00 13.43 H new ATOM 0 HG2 LYS A 146 -8.470 -5.084 -11.588 1.00 3.15 H new ATOM 0 HG3 LYS A 146 -7.873 -3.537 -12.157 1.00 3.15 H new ATOM 0 HD2 LYS A 146 -7.011 -5.245 -13.623 1.00 21.21 H new ATOM 0 HD3 LYS A 146 -5.669 -4.620 -12.686 1.00 21.21 H new ATOM 0 HE2 LYS A 146 -5.909 -6.548 -11.106 1.00 3.43 H new ATOM 0 HE3 LYS A 146 -7.197 -7.184 -12.109 1.00 3.43 H new ATOM 0 HZ1 LYS A 146 -5.252 -8.284 -12.736 1.00 34.12 H new ATOM 0 HZ2 LYS A 146 -5.551 -7.165 -13.979 1.00 34.12 H new ATOM 0 HZ3 LYS A 146 -4.349 -6.849 -12.822 1.00 34.12 H new ATOM 2300 N ILE A 147 -5.847 -1.407 -9.004 1.00 41.33 N ATOM 2301 CA ILE A 147 -5.633 -0.566 -7.888 1.00 14.33 C ATOM 2302 C ILE A 147 -6.945 -0.080 -7.314 1.00 14.31 C ATOM 2303 O ILE A 147 -7.735 0.594 -7.981 1.00 14.13 O ATOM 2304 CB ILE A 147 -4.746 0.609 -8.339 1.00 21.04 C ATOM 2305 CG1 ILE A 147 -3.360 0.079 -8.693 1.00 41.32 C ATOM 2306 CG2 ILE A 147 -4.688 1.728 -7.319 1.00 41.53 C ATOM 2307 CD1 ILE A 147 -2.435 1.106 -9.235 1.00 74.01 C ATOM 0 H ILE A 147 -6.269 -0.933 -9.803 1.00 41.33 H new ATOM 0 HA ILE A 147 -5.132 -1.119 -7.094 1.00 14.33 H new ATOM 0 HB ILE A 147 -5.194 1.058 -9.225 1.00 21.04 H new ATOM 0 HG12 ILE A 147 -2.913 -0.362 -7.802 1.00 41.32 H new ATOM 0 HG13 ILE A 147 -3.466 -0.721 -9.425 1.00 41.32 H new ATOM 0 HG21 ILE A 147 -4.048 2.528 -7.692 1.00 41.53 H new ATOM 0 HG22 ILE A 147 -5.692 2.116 -7.148 1.00 41.53 H new ATOM 0 HG23 ILE A 147 -4.282 1.346 -6.382 1.00 41.53 H new ATOM 0 HD11 ILE A 147 -1.473 0.646 -9.460 1.00 74.01 H new ATOM 0 HD12 ILE A 147 -2.857 1.531 -10.146 1.00 74.01 H new ATOM 0 HD13 ILE A 147 -2.296 1.896 -8.497 1.00 74.01 H new ATOM 2319 N THR A 148 -7.177 -0.425 -6.094 1.00 32.22 N ATOM 2320 CA THR A 148 -8.346 -0.012 -5.420 1.00 75.43 C ATOM 2321 C THR A 148 -7.975 0.968 -4.320 1.00 34.21 C ATOM 2322 O THR A 148 -7.337 0.605 -3.329 1.00 10.44 O ATOM 2323 CB THR A 148 -9.105 -1.214 -4.842 1.00 22.13 C ATOM 2324 OG1 THR A 148 -9.399 -2.140 -5.908 1.00 72.52 O ATOM 2325 CG2 THR A 148 -10.403 -0.754 -4.217 1.00 25.35 C ATOM 0 H THR A 148 -6.551 -1.007 -5.537 1.00 32.22 H new ATOM 0 HA THR A 148 -9.007 0.481 -6.133 1.00 75.43 H new ATOM 0 HB THR A 148 -8.491 -1.696 -4.082 1.00 22.13 H new ATOM 0 HG1 THR A 148 -9.883 -2.912 -5.547 1.00 72.52 H new ATOM 0 HG21 THR A 148 -10.935 -1.613 -3.809 1.00 25.35 H new ATOM 0 HG22 THR A 148 -10.190 -0.046 -3.416 1.00 25.35 H new ATOM 0 HG23 THR A 148 -11.020 -0.271 -4.974 1.00 25.35 H new ATOM 2333 N VAL A 149 -8.357 2.192 -4.507 1.00 4.24 N ATOM 2334 CA VAL A 149 -8.041 3.225 -3.575 1.00 11.15 C ATOM 2335 C VAL A 149 -9.235 3.502 -2.704 1.00 70.03 C ATOM 2336 O VAL A 149 -10.343 3.741 -3.199 1.00 13.21 O ATOM 2337 CB VAL A 149 -7.596 4.536 -4.285 1.00 0.22 C ATOM 2338 CG1 VAL A 149 -7.300 5.643 -3.276 1.00 62.30 C ATOM 2339 CG2 VAL A 149 -6.374 4.277 -5.137 1.00 11.04 C ATOM 0 H VAL A 149 -8.899 2.503 -5.313 1.00 4.24 H new ATOM 0 HA VAL A 149 -7.205 2.878 -2.967 1.00 11.15 H new ATOM 0 HB VAL A 149 -8.417 4.867 -4.920 1.00 0.22 H new ATOM 0 HG11 VAL A 149 -6.992 6.545 -3.805 1.00 62.30 H new ATOM 0 HG12 VAL A 149 -8.197 5.853 -2.693 1.00 62.30 H new ATOM 0 HG13 VAL A 149 -6.500 5.323 -2.609 1.00 62.30 H new ATOM 0 HG21 VAL A 149 -6.071 5.201 -5.629 1.00 11.04 H new ATOM 0 HG22 VAL A 149 -5.560 3.918 -4.507 1.00 11.04 H new ATOM 0 HG23 VAL A 149 -6.608 3.525 -5.890 1.00 11.04 H new ATOM 2349 N TYR A 150 -9.026 3.446 -1.433 1.00 62.34 N ATOM 2350 CA TYR A 150 -10.055 3.760 -0.506 1.00 14.03 C ATOM 2351 C TYR A 150 -9.961 5.207 -0.153 1.00 71.01 C ATOM 2352 O TYR A 150 -8.881 5.709 0.223 1.00 73.32 O ATOM 2353 CB TYR A 150 -10.007 2.862 0.735 1.00 62.11 C ATOM 2354 CG TYR A 150 -10.348 1.418 0.438 1.00 31.42 C ATOM 2355 CD1 TYR A 150 -11.665 0.977 0.498 1.00 73.05 C ATOM 2356 CD2 TYR A 150 -9.369 0.502 0.089 1.00 20.14 C ATOM 2357 CE1 TYR A 150 -11.993 -0.331 0.222 1.00 15.24 C ATOM 2358 CE2 TYR A 150 -9.693 -0.811 -0.190 1.00 62.45 C ATOM 2359 CZ TYR A 150 -11.006 -1.220 -0.122 1.00 11.51 C ATOM 2360 OH TYR A 150 -11.331 -2.526 -0.405 1.00 2.02 O ATOM 0 H TYR A 150 -8.137 3.181 -1.009 1.00 62.34 H new ATOM 0 HA TYR A 150 -11.022 3.568 -0.971 1.00 14.03 H new ATOM 0 HB2 TYR A 150 -9.010 2.911 1.173 1.00 62.11 H new ATOM 0 HB3 TYR A 150 -10.702 3.247 1.481 1.00 62.11 H new ATOM 0 HD1 TYR A 150 -12.445 1.674 0.766 1.00 73.05 H new ATOM 0 HD2 TYR A 150 -8.338 0.819 0.034 1.00 20.14 H new ATOM 0 HE1 TYR A 150 -13.022 -0.656 0.276 1.00 15.24 H new ATOM 0 HE2 TYR A 150 -8.919 -1.514 -0.461 1.00 62.45 H new ATOM 0 HH TYR A 150 -10.577 -2.960 -0.856 1.00 2.02 H new ATOM 2370 N THR A 151 -11.056 5.888 -0.267 1.00 3.44 N ATOM 2371 CA THR A 151 -11.061 7.279 -0.051 1.00 42.11 C ATOM 2372 C THR A 151 -11.352 7.584 1.398 1.00 1.21 C ATOM 2373 O THR A 151 -12.388 7.201 1.949 1.00 34.00 O ATOM 2374 CB THR A 151 -12.049 7.995 -1.013 1.00 62.11 C ATOM 2375 OG1 THR A 151 -13.351 7.376 -0.954 1.00 51.33 O ATOM 2376 CG2 THR A 151 -11.532 7.941 -2.441 1.00 55.14 C ATOM 0 H THR A 151 -11.962 5.488 -0.512 1.00 3.44 H new ATOM 0 HA THR A 151 -10.069 7.670 -0.277 1.00 42.11 H new ATOM 0 HB THR A 151 -12.132 9.035 -0.699 1.00 62.11 H new ATOM 0 HG1 THR A 151 -13.962 7.840 -1.564 1.00 51.33 H new ATOM 0 HG21 THR A 151 -12.236 8.447 -3.102 1.00 55.14 H new ATOM 0 HG22 THR A 151 -10.562 8.436 -2.496 1.00 55.14 H new ATOM 0 HG23 THR A 151 -11.427 6.901 -2.751 1.00 55.14 H new