USER MOD reduce.3.24.130724 H: found=0, std=0, add=1080, rem=0, adj=43 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 93 TYR OH : rot 180:sc= 0.221 USER MOD Set 1.2: A 128 GLN : amide:sc= -0.806 X(o=-1.7,f=-2) USER MOD Set 1.3: A 131 ASN : amide:sc= -1.1! X(o=-1.7!,f=-1.3) USER MOD Set 2.1: A 24 CYS SG : rot -78:sc= -0.461 USER MOD Set 2.2: A 116 SER OG : rot -12:sc= 0.649 USER MOD Set 3.1: A 77 TYR OH : rot 109:sc= 0.0722 USER MOD Set 3.2: A 79 TYR OH : rot -106:sc= 1.06 USER MOD Set 3.3: A 106 HIS : no HE2:sc= 0.43 K(o=3.9,f=-10!) USER MOD Set 3.4: A 107 CYS SG : rot 72:sc= 1.62 USER MOD Set 3.5: A 110 ASN : amide:sc= 0.686 K(o=3.9,f=3.2) USER MOD Set 4.1: A 84 LYS NZ :NH3+ -118:sc= 0.368 (180deg=0) USER MOD Set 4.2: A 92 THR OG1 : rot 132:sc= 0.0445 USER MOD Set 4.3: A 95 ASN : amide:sc= -1.56 K(o=-1.1,f=-7.8!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0.949 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= -2.11! (180deg=-3.22!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0752 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 32 HIS : no HD1:sc= -0.585 X(o=-0.58,f=-0.61) USER MOD Single : A 33 CYS SG : rot 28:sc= 0.211 USER MOD Single : A 35 SER OG : rot -100:sc= 0.671 USER MOD Single : A 38 CYS SG : rot -140:sc= -0.141 USER MOD Single : A 40 MET CE :methyl 179:sc= -1.1 (180deg=-1.12) USER MOD Single : A 49 LYS NZ :NH3+ -135:sc= 0.942 (180deg=-1.02) USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= -0.579 (180deg=-0.707) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc=-6.8e-05 (180deg=-0.0686) USER MOD Single : A 56 GLN : amide:sc= -0.405 X(o=-0.4,f=-0.4) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0266 F(o=-1.1,f=-0.027) USER MOD Single : A 61 GLN : amide:sc= 1.08 K(o=1.1,f=-4!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 63 LYS NZ :NH3+ -108:sc= 1.24 (180deg=-0.0849) USER MOD Single : A 64 LYS NZ :NH3+ -131:sc= 1.23 (180deg=0.709) USER MOD Single : A 65 SER OG : rot 170:sc= -1.08 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0156 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 : no HD1:sc= -1.7 K(o=-1.7,f=-2.2) USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= -0.0593 (180deg=-0.321) USER MOD Single : A 97 GLN : amide:sc=-0.00456 K(o=-0.0046,f=-0.91) USER MOD Single : A 98 LYS NZ :NH3+ 141:sc= 0.00383 (180deg=0) USER MOD Single : A 99 SER OG : rot -15:sc= 1.1 USER MOD Single : A 103 MET CE :methyl 125:sc= -2.64! (180deg=-3.56!) USER MOD Single : A 104 LYS NZ :NH3+ 141:sc= -0.831 (180deg=-2.66!) USER MOD Single : A 105 SER OG : rot 180:sc= -0.0404 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 117 MET CE :methyl -164:sc= -0.182 (180deg=-0.807) USER MOD Single : A 133 SER OG : rot -71:sc= 0.891 USER MOD Single : A 135 MET CE :methyl -178:sc= -1.01 (180deg=-1.01) USER MOD Single : A 143 THR OG1 : rot -1:sc= 1.17 USER MOD Single : A 146 LYS NZ :NH3+ -142:sc= 1.11 (180deg=0.46) USER MOD Single : A 148 THR OG1 : rot 137:sc= 0.526 USER MOD Single : A 150 TYR OH : rot 180:sc= -0.194 USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 155 N ARG A 13 -7.568 2.065 -13.732 1.00 24.34 N ATOM 156 CA ARG A 13 -6.481 1.658 -12.872 1.00 42.00 C ATOM 157 C ARG A 13 -6.803 2.013 -11.452 1.00 11.21 C ATOM 158 O ARG A 13 -6.789 1.153 -10.600 1.00 12.04 O ATOM 159 CB ARG A 13 -5.118 2.199 -13.339 1.00 14.13 C ATOM 160 CG ARG A 13 -4.619 1.504 -14.588 1.00 70.22 C ATOM 161 CD ARG A 13 -4.232 0.058 -14.282 1.00 12.34 C ATOM 162 NE ARG A 13 -4.205 -0.778 -15.490 1.00 3.40 N ATOM 163 CZ ARG A 13 -4.444 -2.104 -15.507 1.00 54.40 C ATOM 164 NH1 ARG A 13 -4.586 -2.767 -14.366 1.00 30.24 N ATOM 165 NH2 ARG A 13 -4.516 -2.762 -16.663 1.00 64.44 N ATOM 0 HA ARG A 13 -6.379 0.574 -12.933 1.00 42.00 H new ATOM 0 HB2 ARG A 13 -5.201 3.269 -13.530 1.00 14.13 H new ATOM 0 HB3 ARG A 13 -4.387 2.074 -12.540 1.00 14.13 H new ATOM 0 HG2 ARG A 13 -5.393 1.524 -15.355 1.00 70.22 H new ATOM 0 HG3 ARG A 13 -3.758 2.039 -14.989 1.00 70.22 H new ATOM 0 HD2 ARG A 13 -3.251 0.039 -13.807 1.00 12.34 H new ATOM 0 HD3 ARG A 13 -4.940 -0.362 -13.567 1.00 12.34 H new ATOM 0 HE ARG A 13 -3.990 -0.323 -16.377 1.00 3.40 H new ATOM 0 HH11 ARG A 13 -4.514 -2.273 -13.477 1.00 30.24 H new ATOM 0 HH12 ARG A 13 -4.767 -3.771 -14.379 1.00 30.24 H new ATOM 0 HH21 ARG A 13 -4.390 -2.262 -17.543 1.00 64.44 H new ATOM 0 HH22 ARG A 13 -4.697 -3.766 -16.668 1.00 64.44 H new ATOM 179 N ILE A 14 -7.128 3.266 -11.203 1.00 51.53 N ATOM 180 CA ILE A 14 -7.556 3.662 -9.883 1.00 21.31 C ATOM 181 C ILE A 14 -9.060 3.685 -9.802 1.00 61.34 C ATOM 182 O ILE A 14 -9.741 4.326 -10.607 1.00 42.03 O ATOM 183 CB ILE A 14 -7.000 5.040 -9.449 1.00 61.31 C ATOM 184 CG1 ILE A 14 -5.479 5.010 -9.367 1.00 3.01 C ATOM 185 CG2 ILE A 14 -7.606 5.499 -8.110 1.00 44.32 C ATOM 186 CD1 ILE A 14 -4.866 6.321 -8.961 1.00 65.24 C ATOM 0 H ILE A 14 -7.103 4.018 -11.892 1.00 51.53 H new ATOM 0 HA ILE A 14 -7.152 2.917 -9.198 1.00 21.31 H new ATOM 0 HB ILE A 14 -7.291 5.764 -10.210 1.00 61.31 H new ATOM 0 HG12 ILE A 14 -5.178 4.243 -8.653 1.00 3.01 H new ATOM 0 HG13 ILE A 14 -5.078 4.717 -10.337 1.00 3.01 H new ATOM 0 HG21 ILE A 14 -7.192 6.470 -7.837 1.00 44.32 H new ATOM 0 HG22 ILE A 14 -8.688 5.581 -8.209 1.00 44.32 H new ATOM 0 HG23 ILE A 14 -7.367 4.772 -7.334 1.00 44.32 H new ATOM 0 HD11 ILE A 14 -3.781 6.220 -8.925 1.00 65.24 H new ATOM 0 HD12 ILE A 14 -5.135 7.089 -9.687 1.00 65.24 H new ATOM 0 HD13 ILE A 14 -5.237 6.607 -7.977 1.00 65.24 H new ATOM 198 N THR A 15 -9.556 2.978 -8.859 1.00 31.50 N ATOM 199 CA THR A 15 -10.942 2.963 -8.562 1.00 3.34 C ATOM 200 C THR A 15 -11.135 3.262 -7.097 1.00 23.21 C ATOM 201 O THR A 15 -10.521 2.632 -6.228 1.00 33.42 O ATOM 202 CB THR A 15 -11.609 1.635 -8.981 1.00 14.31 C ATOM 203 OG1 THR A 15 -11.548 1.524 -10.419 1.00 53.30 O ATOM 204 CG2 THR A 15 -13.068 1.559 -8.522 1.00 51.12 C ATOM 0 H THR A 15 -8.997 2.376 -8.254 1.00 31.50 H new ATOM 0 HA THR A 15 -11.439 3.738 -9.146 1.00 3.34 H new ATOM 0 HB THR A 15 -11.073 0.814 -8.505 1.00 14.31 H new ATOM 0 HG1 THR A 15 -11.967 0.684 -10.700 1.00 53.30 H new ATOM 0 HG21 THR A 15 -13.500 0.609 -8.837 1.00 51.12 H new ATOM 0 HG22 THR A 15 -13.112 1.635 -7.436 1.00 51.12 H new ATOM 0 HG23 THR A 15 -13.632 2.379 -8.966 1.00 51.12 H new ATOM 212 N TYR A 16 -11.943 4.250 -6.838 1.00 1.43 N ATOM 213 CA TYR A 16 -12.209 4.695 -5.501 1.00 11.00 C ATOM 214 C TYR A 16 -13.372 3.924 -4.948 1.00 14.45 C ATOM 215 O TYR A 16 -14.426 3.855 -5.573 1.00 52.41 O ATOM 216 CB TYR A 16 -12.536 6.190 -5.486 1.00 4.21 C ATOM 217 CG TYR A 16 -11.457 7.072 -6.064 1.00 2.24 C ATOM 218 CD1 TYR A 16 -10.407 7.526 -5.282 1.00 14.15 C ATOM 219 CD2 TYR A 16 -11.492 7.454 -7.398 1.00 24.21 C ATOM 220 CE1 TYR A 16 -9.427 8.333 -5.809 1.00 74.31 C ATOM 221 CE2 TYR A 16 -10.517 8.262 -7.932 1.00 40.24 C ATOM 222 CZ TYR A 16 -9.488 8.699 -7.137 1.00 52.12 C ATOM 223 OH TYR A 16 -8.515 9.509 -7.668 1.00 52.12 O ATOM 0 H TYR A 16 -12.441 4.775 -7.557 1.00 1.43 H new ATOM 0 HA TYR A 16 -11.323 4.526 -4.889 1.00 11.00 H new ATOM 0 HB2 TYR A 16 -13.458 6.353 -6.044 1.00 4.21 H new ATOM 0 HB3 TYR A 16 -12.727 6.497 -4.458 1.00 4.21 H new ATOM 0 HD1 TYR A 16 -10.358 7.241 -4.241 1.00 14.15 H new ATOM 0 HD2 TYR A 16 -12.300 7.110 -8.027 1.00 24.21 H new ATOM 0 HE1 TYR A 16 -8.614 8.678 -5.187 1.00 74.31 H new ATOM 0 HE2 TYR A 16 -10.561 8.551 -8.972 1.00 40.24 H new ATOM 0 HH TYR A 16 -8.705 9.671 -8.616 1.00 52.12 H new ATOM 233 N VAL A 17 -13.176 3.331 -3.817 1.00 35.42 N ATOM 234 CA VAL A 17 -14.210 2.582 -3.168 1.00 3.54 C ATOM 235 C VAL A 17 -14.428 3.146 -1.788 1.00 63.40 C ATOM 236 O VAL A 17 -13.481 3.325 -1.028 1.00 10.43 O ATOM 237 CB VAL A 17 -13.846 1.076 -3.036 1.00 52.15 C ATOM 238 CG1 VAL A 17 -14.975 0.287 -2.377 1.00 35.24 C ATOM 239 CG2 VAL A 17 -13.483 0.468 -4.383 1.00 52.44 C ATOM 0 H VAL A 17 -12.290 3.350 -3.311 1.00 35.42 H new ATOM 0 HA VAL A 17 -15.111 2.661 -3.776 1.00 3.54 H new ATOM 0 HB VAL A 17 -12.968 1.014 -2.393 1.00 52.15 H new ATOM 0 HG11 VAL A 17 -14.689 -0.762 -2.300 1.00 35.24 H new ATOM 0 HG12 VAL A 17 -15.164 0.686 -1.380 1.00 35.24 H new ATOM 0 HG13 VAL A 17 -15.879 0.373 -2.980 1.00 35.24 H new ATOM 0 HG21 VAL A 17 -13.234 -0.585 -4.252 1.00 52.44 H new ATOM 0 HG22 VAL A 17 -14.330 0.559 -5.063 1.00 52.44 H new ATOM 0 HG23 VAL A 17 -12.624 0.994 -4.800 1.00 52.44 H new ATOM 249 N LYS A 18 -15.640 3.456 -1.480 1.00 61.24 N ATOM 250 CA LYS A 18 -15.969 3.896 -0.163 1.00 51.31 C ATOM 251 C LYS A 18 -16.337 2.672 0.665 1.00 71.35 C ATOM 252 O LYS A 18 -17.324 1.988 0.381 1.00 15.23 O ATOM 253 CB LYS A 18 -17.107 4.946 -0.189 1.00 64.21 C ATOM 254 CG LYS A 18 -18.398 4.480 -0.861 1.00 33.45 C ATOM 255 CD LYS A 18 -19.488 5.541 -0.834 1.00 74.22 C ATOM 256 CE LYS A 18 -19.882 5.928 0.583 1.00 24.30 C ATOM 257 NZ LYS A 18 -21.008 6.886 0.596 1.00 3.33 N ATOM 0 H LYS A 18 -16.428 3.413 -2.127 1.00 61.24 H new ATOM 0 HA LYS A 18 -15.113 4.394 0.292 1.00 51.31 H new ATOM 0 HB2 LYS A 18 -17.334 5.240 0.836 1.00 64.21 H new ATOM 0 HB3 LYS A 18 -16.748 5.837 -0.704 1.00 64.21 H new ATOM 0 HG2 LYS A 18 -18.187 4.208 -1.895 1.00 33.45 H new ATOM 0 HG3 LYS A 18 -18.759 3.581 -0.362 1.00 33.45 H new ATOM 0 HD2 LYS A 18 -19.143 6.427 -1.368 1.00 74.22 H new ATOM 0 HD3 LYS A 18 -20.365 5.171 -1.364 1.00 74.22 H new ATOM 0 HE2 LYS A 18 -20.159 5.033 1.141 1.00 24.30 H new ATOM 0 HE3 LYS A 18 -19.024 6.368 1.092 1.00 24.30 H new ATOM 0 HZ1 LYS A 18 -21.248 7.126 1.579 1.00 3.33 H new ATOM 0 HZ2 LYS A 18 -20.735 7.750 0.085 1.00 3.33 H new ATOM 0 HZ3 LYS A 18 -21.834 6.457 0.133 1.00 3.33 H new ATOM 271 N GLY A 19 -15.535 2.370 1.645 1.00 34.42 N ATOM 272 CA GLY A 19 -15.790 1.200 2.435 1.00 41.12 C ATOM 273 C GLY A 19 -14.799 1.036 3.540 1.00 61.55 C ATOM 274 O GLY A 19 -14.590 1.960 4.333 1.00 20.32 O ATOM 0 H GLY A 19 -14.711 2.908 1.914 1.00 34.42 H new ATOM 0 HA2 GLY A 19 -16.794 1.260 2.856 1.00 41.12 H new ATOM 0 HA3 GLY A 19 -15.765 0.319 1.794 1.00 41.12 H new ATOM 278 N ASP A 20 -14.166 -0.107 3.603 1.00 35.32 N ATOM 279 CA ASP A 20 -13.226 -0.374 4.667 1.00 22.44 C ATOM 280 C ASP A 20 -11.907 -0.866 4.110 1.00 61.30 C ATOM 281 O ASP A 20 -11.870 -1.770 3.264 1.00 20.22 O ATOM 282 CB ASP A 20 -13.796 -1.384 5.644 1.00 0.45 C ATOM 283 CG ASP A 20 -12.928 -1.562 6.842 1.00 12.21 C ATOM 284 OD1 ASP A 20 -13.051 -0.781 7.792 1.00 43.32 O ATOM 285 OD2 ASP A 20 -12.123 -2.473 6.862 1.00 24.32 O ATOM 0 H ASP A 20 -14.282 -0.868 2.933 1.00 35.32 H new ATOM 0 HA ASP A 20 -13.046 0.560 5.200 1.00 22.44 H new ATOM 0 HB2 ASP A 20 -14.787 -1.060 5.961 1.00 0.45 H new ATOM 0 HB3 ASP A 20 -13.919 -2.343 5.141 1.00 0.45 H new ATOM 290 N LEU A 21 -10.838 -0.287 4.597 1.00 74.21 N ATOM 291 CA LEU A 21 -9.498 -0.568 4.115 1.00 3.11 C ATOM 292 C LEU A 21 -8.919 -1.834 4.789 1.00 31.20 C ATOM 293 O LEU A 21 -8.061 -2.513 4.233 1.00 21.24 O ATOM 294 CB LEU A 21 -8.619 0.706 4.359 1.00 65.35 C ATOM 295 CG LEU A 21 -7.161 0.767 3.806 1.00 3.44 C ATOM 296 CD1 LEU A 21 -6.208 -0.178 4.519 1.00 14.21 C ATOM 297 CD2 LEU A 21 -7.139 0.516 2.307 1.00 40.34 C ATOM 0 H LEU A 21 -10.868 0.402 5.349 1.00 74.21 H new ATOM 0 HA LEU A 21 -9.512 -0.786 3.047 1.00 3.11 H new ATOM 0 HB2 LEU A 21 -9.159 1.557 3.943 1.00 65.35 H new ATOM 0 HB3 LEU A 21 -8.563 0.860 5.437 1.00 65.35 H new ATOM 0 HG LEU A 21 -6.803 1.777 4.005 1.00 3.44 H new ATOM 0 HD11 LEU A 21 -5.212 -0.086 4.086 1.00 14.21 H new ATOM 0 HD12 LEU A 21 -6.168 0.076 5.578 1.00 14.21 H new ATOM 0 HD13 LEU A 21 -6.559 -1.203 4.405 1.00 14.21 H new ATOM 0 HD21 LEU A 21 -6.112 0.564 1.945 1.00 40.34 H new ATOM 0 HD22 LEU A 21 -7.552 -0.471 2.097 1.00 40.34 H new ATOM 0 HD23 LEU A 21 -7.737 1.275 1.802 1.00 40.34 H new ATOM 309 N PHE A 22 -9.408 -2.173 5.942 1.00 40.31 N ATOM 310 CA PHE A 22 -8.872 -3.318 6.652 1.00 52.02 C ATOM 311 C PHE A 22 -9.641 -4.609 6.313 1.00 0.32 C ATOM 312 O PHE A 22 -9.186 -5.715 6.609 1.00 41.52 O ATOM 313 CB PHE A 22 -8.799 -3.040 8.173 1.00 11.31 C ATOM 314 CG PHE A 22 -7.797 -1.961 8.540 1.00 60.33 C ATOM 315 CD1 PHE A 22 -8.070 -0.621 8.315 1.00 61.33 C ATOM 316 CD2 PHE A 22 -6.571 -2.296 9.089 1.00 74.34 C ATOM 317 CE1 PHE A 22 -7.150 0.340 8.621 1.00 12.12 C ATOM 318 CE2 PHE A 22 -5.653 -1.326 9.401 1.00 11.51 C ATOM 319 CZ PHE A 22 -5.943 -0.017 9.162 1.00 2.11 C ATOM 0 H PHE A 22 -10.169 -1.687 6.416 1.00 40.31 H new ATOM 0 HA PHE A 22 -7.849 -3.481 6.312 1.00 52.02 H new ATOM 0 HB2 PHE A 22 -9.786 -2.745 8.529 1.00 11.31 H new ATOM 0 HB3 PHE A 22 -8.535 -3.962 8.691 1.00 11.31 H new ATOM 0 HD1 PHE A 22 -9.022 -0.334 7.893 1.00 61.33 H new ATOM 0 HD2 PHE A 22 -6.335 -3.334 9.274 1.00 74.34 H new ATOM 0 HE1 PHE A 22 -7.373 1.380 8.437 1.00 12.12 H new ATOM 0 HE2 PHE A 22 -4.703 -1.600 9.835 1.00 11.51 H new ATOM 0 HZ PHE A 22 -5.216 0.745 9.401 1.00 2.11 H new ATOM 329 N ALA A 23 -10.800 -4.453 5.691 1.00 42.23 N ATOM 330 CA ALA A 23 -11.625 -5.580 5.261 1.00 70.23 C ATOM 331 C ALA A 23 -11.540 -5.791 3.742 1.00 51.43 C ATOM 332 O ALA A 23 -12.414 -6.429 3.155 1.00 45.03 O ATOM 333 CB ALA A 23 -13.076 -5.349 5.673 1.00 42.41 C ATOM 0 H ALA A 23 -11.199 -3.541 5.468 1.00 42.23 H new ATOM 0 HA ALA A 23 -11.246 -6.479 5.747 1.00 70.23 H new ATOM 0 HB1 ALA A 23 -13.685 -6.193 5.349 1.00 42.41 H new ATOM 0 HB2 ALA A 23 -13.136 -5.253 6.757 1.00 42.41 H new ATOM 0 HB3 ALA A 23 -13.445 -4.435 5.207 1.00 42.41 H new ATOM 339 N CYS A 24 -10.495 -5.258 3.116 1.00 22.41 N ATOM 340 CA CYS A 24 -10.290 -5.388 1.661 1.00 72.42 C ATOM 341 C CYS A 24 -10.230 -6.859 1.209 1.00 63.01 C ATOM 342 O CYS A 24 -9.798 -7.741 1.985 1.00 60.55 O ATOM 343 CB CYS A 24 -9.001 -4.681 1.241 1.00 4.53 C ATOM 344 SG CYS A 24 -8.997 -2.923 1.570 1.00 40.04 S ATOM 0 H CYS A 24 -9.766 -4.726 3.591 1.00 22.41 H new ATOM 0 HA CYS A 24 -11.148 -4.921 1.178 1.00 72.42 H new ATOM 0 HB2 CYS A 24 -8.161 -5.140 1.762 1.00 4.53 H new ATOM 0 HB3 CYS A 24 -8.841 -4.841 0.175 1.00 4.53 H new ATOM 0 HG CYS A 24 -9.699 -2.310 0.663 1.00 40.04 H new ATOM 350 N PRO A 25 -10.684 -7.144 -0.047 1.00 62.51 N ATOM 351 CA PRO A 25 -10.629 -8.486 -0.654 1.00 34.34 C ATOM 352 C PRO A 25 -9.247 -9.116 -0.507 1.00 71.44 C ATOM 353 O PRO A 25 -8.241 -8.410 -0.401 1.00 3.23 O ATOM 354 CB PRO A 25 -10.928 -8.212 -2.124 1.00 42.43 C ATOM 355 CG PRO A 25 -11.809 -7.026 -2.099 1.00 0.24 C ATOM 356 CD PRO A 25 -11.302 -6.170 -0.975 1.00 11.20 C ATOM 0 HA PRO A 25 -11.322 -9.184 -0.184 1.00 34.34 H new ATOM 0 HB2 PRO A 25 -10.015 -8.018 -2.687 1.00 42.43 H new ATOM 0 HB3 PRO A 25 -11.419 -9.063 -2.596 1.00 42.43 H new ATOM 0 HG2 PRO A 25 -11.772 -6.490 -3.047 1.00 0.24 H new ATOM 0 HG3 PRO A 25 -12.848 -7.313 -1.935 1.00 0.24 H new ATOM 0 HD2 PRO A 25 -10.577 -5.435 -1.326 1.00 11.20 H new ATOM 0 HD3 PRO A 25 -12.110 -5.617 -0.496 1.00 11.20 H new ATOM 364 N LYS A 26 -9.198 -10.437 -0.539 1.00 43.21 N ATOM 365 CA LYS A 26 -7.968 -11.182 -0.253 1.00 21.40 C ATOM 366 C LYS A 26 -6.936 -10.980 -1.340 1.00 12.24 C ATOM 367 O LYS A 26 -5.733 -11.142 -1.114 1.00 43.52 O ATOM 368 CB LYS A 26 -8.214 -12.698 -0.101 1.00 73.31 C ATOM 369 CG LYS A 26 -9.279 -13.120 0.921 1.00 73.15 C ATOM 370 CD LYS A 26 -10.733 -13.022 0.394 1.00 61.41 C ATOM 371 CE LYS A 26 -11.108 -14.135 -0.631 1.00 20.43 C ATOM 372 NZ LYS A 26 -10.285 -14.156 -1.879 1.00 24.52 N ATOM 0 H LYS A 26 -10.000 -11.027 -0.762 1.00 43.21 H new ATOM 0 HA LYS A 26 -7.601 -10.786 0.694 1.00 21.40 H new ATOM 0 HB2 LYS A 26 -8.499 -13.097 -1.075 1.00 73.31 H new ATOM 0 HB3 LYS A 26 -7.271 -13.171 0.174 1.00 73.31 H new ATOM 0 HG2 LYS A 26 -9.084 -14.147 1.230 1.00 73.15 H new ATOM 0 HG3 LYS A 26 -9.183 -12.496 1.809 1.00 73.15 H new ATOM 0 HD2 LYS A 26 -11.420 -13.073 1.239 1.00 61.41 H new ATOM 0 HD3 LYS A 26 -10.875 -12.048 -0.074 1.00 61.41 H new ATOM 0 HE2 LYS A 26 -11.018 -15.104 -0.140 1.00 20.43 H new ATOM 0 HE3 LYS A 26 -12.155 -14.014 -0.908 1.00 20.43 H new ATOM 0 HZ1 LYS A 26 -10.810 -14.644 -2.633 1.00 24.52 H new ATOM 0 HZ2 LYS A 26 -10.079 -13.181 -2.176 1.00 24.52 H new ATOM 0 HZ3 LYS A 26 -9.392 -14.658 -1.698 1.00 24.52 H new ATOM 386 N THR A 27 -7.402 -10.640 -2.503 1.00 40.24 N ATOM 387 CA THR A 27 -6.541 -10.458 -3.634 1.00 21.34 C ATOM 388 C THR A 27 -5.833 -9.108 -3.630 1.00 53.25 C ATOM 389 O THR A 27 -4.814 -8.939 -4.295 1.00 64.35 O ATOM 390 CB THR A 27 -7.354 -10.620 -4.915 1.00 41.20 C ATOM 391 OG1 THR A 27 -8.624 -9.926 -4.771 1.00 21.42 O ATOM 392 CG2 THR A 27 -7.591 -12.087 -5.231 1.00 34.21 C ATOM 0 H THR A 27 -8.391 -10.480 -2.696 1.00 40.24 H new ATOM 0 HA THR A 27 -5.762 -11.218 -3.578 1.00 21.34 H new ATOM 0 HB THR A 27 -6.792 -10.187 -5.742 1.00 41.20 H new ATOM 0 HG1 THR A 27 -9.147 -10.027 -5.593 1.00 21.42 H new ATOM 0 HG21 THR A 27 -8.173 -12.172 -6.149 1.00 34.21 H new ATOM 0 HG22 THR A 27 -6.633 -12.591 -5.361 1.00 34.21 H new ATOM 0 HG23 THR A 27 -8.137 -12.552 -4.411 1.00 34.21 H new ATOM 400 N ASP A 28 -6.324 -8.187 -2.844 1.00 41.33 N ATOM 401 CA ASP A 28 -5.727 -6.862 -2.765 1.00 33.34 C ATOM 402 C ASP A 28 -4.676 -6.829 -1.700 1.00 45.02 C ATOM 403 O ASP A 28 -4.863 -7.368 -0.599 1.00 41.15 O ATOM 404 CB ASP A 28 -6.772 -5.762 -2.477 1.00 62.10 C ATOM 405 CG ASP A 28 -7.783 -5.563 -3.581 1.00 72.20 C ATOM 406 OD1 ASP A 28 -8.795 -6.290 -3.597 1.00 52.30 O ATOM 407 OD2 ASP A 28 -7.584 -4.664 -4.445 1.00 13.40 O ATOM 0 H ASP A 28 -7.138 -8.322 -2.244 1.00 41.33 H new ATOM 0 HA ASP A 28 -5.283 -6.659 -3.739 1.00 33.34 H new ATOM 0 HB2 ASP A 28 -7.300 -6.011 -1.557 1.00 62.10 H new ATOM 0 HB3 ASP A 28 -6.252 -4.820 -2.302 1.00 62.10 H new ATOM 412 N SER A 29 -3.570 -6.228 -2.001 1.00 50.31 N ATOM 413 CA SER A 29 -2.551 -6.068 -1.029 1.00 61.31 C ATOM 414 C SER A 29 -2.602 -4.631 -0.565 1.00 41.44 C ATOM 415 O SER A 29 -3.412 -3.866 -1.066 1.00 22.32 O ATOM 416 CB SER A 29 -1.199 -6.454 -1.617 1.00 51.14 C ATOM 417 OG SER A 29 -1.213 -7.813 -2.016 1.00 12.45 O ATOM 0 H SER A 29 -3.354 -5.840 -2.919 1.00 50.31 H new ATOM 0 HA SER A 29 -2.702 -6.724 -0.172 1.00 61.31 H new ATOM 0 HB2 SER A 29 -0.970 -5.818 -2.472 1.00 51.14 H new ATOM 0 HB3 SER A 29 -0.413 -6.291 -0.880 1.00 51.14 H new ATOM 0 HG SER A 29 -0.341 -8.052 -2.394 1.00 12.45 H new ATOM 423 N LEU A 30 -1.776 -4.241 0.345 1.00 12.15 N ATOM 424 CA LEU A 30 -1.870 -2.898 0.844 1.00 70.22 C ATOM 425 C LEU A 30 -0.609 -2.162 0.655 1.00 13.34 C ATOM 426 O LEU A 30 0.451 -2.701 0.841 1.00 51.32 O ATOM 427 CB LEU A 30 -2.282 -2.879 2.317 1.00 74.05 C ATOM 428 CG LEU A 30 -3.743 -3.214 2.617 1.00 71.12 C ATOM 429 CD1 LEU A 30 -3.959 -3.254 4.101 1.00 53.13 C ATOM 430 CD2 LEU A 30 -4.645 -2.157 2.026 1.00 71.24 C ATOM 0 H LEU A 30 -1.039 -4.814 0.757 1.00 12.15 H new ATOM 0 HA LEU A 30 -2.645 -2.396 0.265 1.00 70.22 H new ATOM 0 HB2 LEU A 30 -1.651 -3.585 2.858 1.00 74.05 H new ATOM 0 HB3 LEU A 30 -2.069 -1.889 2.719 1.00 74.05 H new ATOM 0 HG LEU A 30 -3.976 -4.185 2.180 1.00 71.12 H new ATOM 0 HD11 LEU A 30 -5.002 -3.493 4.311 1.00 53.13 H new ATOM 0 HD12 LEU A 30 -3.316 -4.016 4.542 1.00 53.13 H new ATOM 0 HD13 LEU A 30 -3.716 -2.282 4.530 1.00 53.13 H new ATOM 0 HD21 LEU A 30 -5.684 -2.402 2.244 1.00 71.24 H new ATOM 0 HD22 LEU A 30 -4.402 -1.187 2.461 1.00 71.24 H new ATOM 0 HD23 LEU A 30 -4.500 -2.117 0.946 1.00 71.24 H new ATOM 442 N ALA A 31 -0.733 -0.927 0.305 1.00 63.33 N ATOM 443 CA ALA A 31 0.390 -0.078 0.097 1.00 23.04 C ATOM 444 C ALA A 31 0.151 1.220 0.825 1.00 12.02 C ATOM 445 O ALA A 31 -0.977 1.704 0.883 1.00 52.12 O ATOM 446 CB ALA A 31 0.605 0.140 -1.388 1.00 70.15 C ATOM 0 H ALA A 31 -1.633 -0.471 0.153 1.00 63.33 H new ATOM 0 HA ALA A 31 1.297 -0.537 0.491 1.00 23.04 H new ATOM 0 HB1 ALA A 31 1.466 0.791 -1.539 1.00 70.15 H new ATOM 0 HB2 ALA A 31 0.785 -0.819 -1.874 1.00 70.15 H new ATOM 0 HB3 ALA A 31 -0.281 0.605 -1.820 1.00 70.15 H new ATOM 452 N HIS A 32 1.177 1.746 1.441 1.00 75.44 N ATOM 453 CA HIS A 32 1.056 2.959 2.231 1.00 13.14 C ATOM 454 C HIS A 32 2.328 3.740 2.056 1.00 3.14 C ATOM 455 O HIS A 32 3.359 3.156 1.772 1.00 74.34 O ATOM 456 CB HIS A 32 0.924 2.615 3.727 1.00 62.04 C ATOM 457 CG HIS A 32 -0.062 1.535 4.037 1.00 74.24 C ATOM 458 ND1 HIS A 32 0.323 0.245 4.345 1.00 22.44 N ATOM 459 CD2 HIS A 32 -1.411 1.537 4.070 1.00 13.13 C ATOM 460 CE1 HIS A 32 -0.738 -0.491 4.543 1.00 1.23 C ATOM 461 NE2 HIS A 32 -1.807 0.264 4.385 1.00 53.04 N ATOM 0 H HIS A 32 2.118 1.354 1.414 1.00 75.44 H new ATOM 0 HA HIS A 32 0.178 3.519 1.908 1.00 13.14 H new ATOM 0 HB2 HIS A 32 1.902 2.314 4.104 1.00 62.04 H new ATOM 0 HB3 HIS A 32 0.637 3.516 4.269 1.00 62.04 H new ATOM 0 HD2 HIS A 32 -2.057 2.382 3.883 1.00 13.13 H new ATOM 0 HE1 HIS A 32 -0.739 -1.541 4.794 1.00 1.23 H new ATOM 0 HE2 HIS A 32 -2.773 -0.049 4.482 1.00 53.04 H new ATOM 470 N CYS A 33 2.274 5.020 2.228 1.00 53.42 N ATOM 471 CA CYS A 33 3.462 5.831 2.103 1.00 43.41 C ATOM 472 C CYS A 33 3.995 6.154 3.488 1.00 15.13 C ATOM 473 O CYS A 33 3.215 6.522 4.393 1.00 42.10 O ATOM 474 CB CYS A 33 3.125 7.112 1.350 1.00 24.05 C ATOM 475 SG CYS A 33 1.799 8.059 2.123 1.00 44.12 S ATOM 0 H CYS A 33 1.424 5.536 2.456 1.00 53.42 H new ATOM 0 HA CYS A 33 4.226 5.289 1.547 1.00 43.41 H new ATOM 0 HB2 CYS A 33 4.018 7.734 1.286 1.00 24.05 H new ATOM 0 HB3 CYS A 33 2.837 6.861 0.329 1.00 24.05 H new ATOM 0 HG CYS A 33 1.785 7.823 3.401 1.00 44.12 H new ATOM 481 N ILE A 34 5.296 6.004 3.669 1.00 74.30 N ATOM 482 CA ILE A 34 5.929 6.253 4.946 1.00 42.12 C ATOM 483 C ILE A 34 7.302 6.853 4.723 1.00 42.24 C ATOM 484 O ILE A 34 7.786 6.923 3.590 1.00 73.42 O ATOM 485 CB ILE A 34 6.096 4.986 5.844 1.00 11.42 C ATOM 486 CG1 ILE A 34 7.038 3.985 5.196 1.00 31.23 C ATOM 487 CG2 ILE A 34 4.756 4.354 6.174 1.00 30.01 C ATOM 488 CD1 ILE A 34 7.411 2.828 6.096 1.00 25.02 C ATOM 0 H ILE A 34 5.939 5.707 2.935 1.00 74.30 H new ATOM 0 HA ILE A 34 5.261 6.934 5.474 1.00 42.12 H new ATOM 0 HB ILE A 34 6.541 5.303 6.787 1.00 11.42 H new ATOM 0 HG12 ILE A 34 6.572 3.594 4.292 1.00 31.23 H new ATOM 0 HG13 ILE A 34 7.947 4.502 4.888 1.00 31.23 H new ATOM 0 HG21 ILE A 34 4.912 3.475 6.800 1.00 30.01 H new ATOM 0 HG22 ILE A 34 4.136 5.074 6.708 1.00 30.01 H new ATOM 0 HG23 ILE A 34 4.256 4.058 5.252 1.00 30.01 H new ATOM 0 HD11 ILE A 34 8.085 2.156 5.565 1.00 25.02 H new ATOM 0 HD12 ILE A 34 7.907 3.207 6.990 1.00 25.02 H new ATOM 0 HD13 ILE A 34 6.510 2.286 6.383 1.00 25.02 H new ATOM 500 N SER A 35 7.891 7.297 5.778 1.00 2.04 N ATOM 501 CA SER A 35 9.198 7.853 5.745 1.00 22.24 C ATOM 502 C SER A 35 10.258 6.760 6.012 1.00 41.42 C ATOM 503 O SER A 35 9.939 5.711 6.590 1.00 34.33 O ATOM 504 CB SER A 35 9.260 8.960 6.769 1.00 34.34 C ATOM 505 OG SER A 35 8.839 8.506 8.047 1.00 54.42 O ATOM 0 H SER A 35 7.469 7.283 6.707 1.00 2.04 H new ATOM 0 HA SER A 35 9.416 8.264 4.759 1.00 22.24 H new ATOM 0 HB2 SER A 35 10.279 9.341 6.834 1.00 34.34 H new ATOM 0 HB3 SER A 35 8.629 9.789 6.449 1.00 34.34 H new ATOM 0 HG SER A 35 7.912 8.782 8.203 1.00 54.42 H new ATOM 511 N GLU A 36 11.508 7.007 5.610 1.00 53.03 N ATOM 512 CA GLU A 36 12.579 6.013 5.769 1.00 52.31 C ATOM 513 C GLU A 36 13.029 5.789 7.201 1.00 30.34 C ATOM 514 O GLU A 36 13.706 4.796 7.503 1.00 5.44 O ATOM 515 CB GLU A 36 13.753 6.219 4.787 1.00 61.53 C ATOM 516 CG GLU A 36 14.435 7.561 4.730 1.00 74.11 C ATOM 517 CD GLU A 36 15.220 7.907 5.976 1.00 45.23 C ATOM 518 OE1 GLU A 36 16.407 7.501 6.064 1.00 54.14 O ATOM 519 OE2 GLU A 36 14.695 8.578 6.858 1.00 32.31 O ATOM 0 H GLU A 36 11.804 7.880 5.174 1.00 53.03 H new ATOM 0 HA GLU A 36 12.112 5.070 5.485 1.00 52.31 H new ATOM 0 HB2 GLU A 36 14.513 5.474 5.023 1.00 61.53 H new ATOM 0 HB3 GLU A 36 13.387 5.994 3.785 1.00 61.53 H new ATOM 0 HG2 GLU A 36 15.108 7.579 3.873 1.00 74.11 H new ATOM 0 HG3 GLU A 36 13.683 8.332 4.561 1.00 74.11 H new ATOM 526 N ASP A 37 12.673 6.700 8.062 1.00 32.44 N ATOM 527 CA ASP A 37 12.948 6.555 9.488 1.00 53.21 C ATOM 528 C ASP A 37 11.707 5.972 10.166 1.00 11.22 C ATOM 529 O ASP A 37 11.699 5.682 11.364 1.00 64.11 O ATOM 530 CB ASP A 37 13.324 7.915 10.097 1.00 35.51 C ATOM 531 CG ASP A 37 13.769 7.844 11.550 1.00 11.20 C ATOM 532 OD1 ASP A 37 14.953 7.507 11.809 1.00 23.22 O ATOM 533 OD2 ASP A 37 12.974 8.170 12.442 1.00 74.13 O ATOM 0 H ASP A 37 12.188 7.562 7.812 1.00 32.44 H new ATOM 0 HA ASP A 37 13.791 5.882 9.642 1.00 53.21 H new ATOM 0 HB2 ASP A 37 14.125 8.357 9.504 1.00 35.51 H new ATOM 0 HB3 ASP A 37 12.466 8.584 10.023 1.00 35.51 H new ATOM 538 N CYS A 38 10.659 5.784 9.354 1.00 63.40 N ATOM 539 CA CYS A 38 9.377 5.246 9.790 1.00 2.41 C ATOM 540 C CYS A 38 8.732 6.104 10.872 1.00 12.04 C ATOM 541 O CYS A 38 8.248 5.600 11.893 1.00 60.12 O ATOM 542 CB CYS A 38 9.503 3.776 10.207 1.00 62.43 C ATOM 543 SG CYS A 38 10.005 2.684 8.856 1.00 11.20 S ATOM 0 H CYS A 38 10.685 6.007 8.359 1.00 63.40 H new ATOM 0 HA CYS A 38 8.702 5.279 8.935 1.00 2.41 H new ATOM 0 HB2 CYS A 38 10.229 3.697 11.016 1.00 62.43 H new ATOM 0 HB3 CYS A 38 8.546 3.435 10.603 1.00 62.43 H new ATOM 0 HG CYS A 38 9.342 1.568 8.930 1.00 11.20 H new ATOM 549 N ARG A 39 8.726 7.403 10.627 1.00 72.01 N ATOM 550 CA ARG A 39 8.080 8.369 11.493 1.00 23.44 C ATOM 551 C ARG A 39 6.585 8.238 11.349 1.00 32.34 C ATOM 552 O ARG A 39 5.994 8.742 10.393 1.00 4.32 O ATOM 553 CB ARG A 39 8.530 9.786 11.130 1.00 61.04 C ATOM 554 CG ARG A 39 9.979 10.059 11.445 1.00 74.22 C ATOM 555 CD ARG A 39 10.191 10.117 12.940 1.00 22.30 C ATOM 556 NE ARG A 39 11.600 10.235 13.288 1.00 45.43 N ATOM 557 CZ ARG A 39 12.125 11.179 14.064 1.00 23.11 C ATOM 558 NH1 ARG A 39 11.356 12.152 14.557 1.00 15.10 N ATOM 559 NH2 ARG A 39 13.423 11.147 14.353 1.00 64.54 N ATOM 0 H ARG A 39 9.175 7.819 9.811 1.00 72.01 H new ATOM 0 HA ARG A 39 8.360 8.177 12.529 1.00 23.44 H new ATOM 0 HB2 ARG A 39 8.361 9.950 10.066 1.00 61.04 H new ATOM 0 HB3 ARG A 39 7.909 10.504 11.666 1.00 61.04 H new ATOM 0 HG2 ARG A 39 10.605 9.279 11.012 1.00 74.22 H new ATOM 0 HG3 ARG A 39 10.285 11.001 10.991 1.00 74.22 H new ATOM 0 HD2 ARG A 39 9.644 10.966 13.351 1.00 22.30 H new ATOM 0 HD3 ARG A 39 9.778 9.219 13.400 1.00 22.30 H new ATOM 0 HE ARG A 39 12.237 9.536 12.905 1.00 45.43 H new ATOM 0 HH11 ARG A 39 10.360 12.174 14.339 1.00 15.10 H new ATOM 0 HH12 ARG A 39 11.765 12.873 15.152 1.00 15.10 H new ATOM 0 HH21 ARG A 39 14.010 10.401 13.980 1.00 64.54 H new ATOM 0 HH22 ARG A 39 13.831 11.868 14.948 1.00 64.54 H new ATOM 573 N MET A 40 5.984 7.528 12.250 1.00 63.23 N ATOM 574 CA MET A 40 4.582 7.273 12.173 1.00 14.32 C ATOM 575 C MET A 40 3.871 7.533 13.489 1.00 21.31 C ATOM 576 O MET A 40 3.757 6.652 14.355 1.00 21.23 O ATOM 577 CB MET A 40 4.290 5.860 11.628 1.00 74.12 C ATOM 578 CG MET A 40 4.937 4.736 12.434 1.00 44.35 C ATOM 579 SD MET A 40 4.578 3.084 11.810 1.00 51.51 S ATOM 580 CE MET A 40 5.373 3.133 10.201 1.00 14.21 C ATOM 0 H MET A 40 6.449 7.111 13.056 1.00 63.23 H new ATOM 0 HA MET A 40 4.173 7.987 11.458 1.00 14.32 H new ATOM 0 HB2 MET A 40 3.211 5.705 11.609 1.00 74.12 H new ATOM 0 HB3 MET A 40 4.638 5.801 10.597 1.00 74.12 H new ATOM 0 HG2 MET A 40 6.017 4.883 12.441 1.00 44.35 H new ATOM 0 HG3 MET A 40 4.599 4.804 13.468 1.00 44.35 H new ATOM 0 HE1 MET A 40 5.249 2.171 9.704 1.00 14.21 H new ATOM 0 HE2 MET A 40 4.918 3.916 9.594 1.00 14.21 H new ATOM 0 HE3 MET A 40 6.435 3.342 10.326 1.00 14.21 H new ATOM 590 N GLY A 41 3.461 8.757 13.655 1.00 41.11 N ATOM 591 CA GLY A 41 2.666 9.136 14.796 1.00 44.41 C ATOM 592 C GLY A 41 1.251 9.393 14.355 1.00 32.14 C ATOM 593 O GLY A 41 0.327 9.432 15.156 1.00 11.21 O ATOM 0 H GLY A 41 3.665 9.520 13.009 1.00 41.11 H new ATOM 0 HA2 GLY A 41 2.687 8.346 15.547 1.00 44.41 H new ATOM 0 HA3 GLY A 41 3.081 10.029 15.262 1.00 44.41 H new ATOM 597 N ALA A 42 1.099 9.542 13.057 1.00 53.12 N ATOM 598 CA ALA A 42 -0.166 9.792 12.421 1.00 72.10 C ATOM 599 C ALA A 42 -0.146 9.114 11.066 1.00 54.13 C ATOM 600 O ALA A 42 0.938 8.868 10.512 1.00 34.25 O ATOM 601 CB ALA A 42 -0.400 11.292 12.266 1.00 73.34 C ATOM 0 H ALA A 42 1.878 9.490 12.400 1.00 53.12 H new ATOM 0 HA ALA A 42 -0.979 9.395 13.029 1.00 72.10 H new ATOM 0 HB1 ALA A 42 -1.362 11.462 11.783 1.00 73.34 H new ATOM 0 HB2 ALA A 42 -0.399 11.764 13.249 1.00 73.34 H new ATOM 0 HB3 ALA A 42 0.394 11.723 11.656 1.00 73.34 H new ATOM 607 N GLY A 43 -1.303 8.793 10.551 1.00 0.40 N ATOM 608 CA GLY A 43 -1.385 8.125 9.279 1.00 21.14 C ATOM 609 C GLY A 43 -1.830 6.691 9.438 1.00 54.12 C ATOM 610 O GLY A 43 -1.879 6.174 10.564 1.00 44.34 O ATOM 0 H GLY A 43 -2.202 8.983 10.993 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -2.084 8.655 8.632 1.00 21.14 H new ATOM 0 HA3 GLY A 43 -0.412 8.153 8.788 1.00 21.14 H new ATOM 614 N ILE A 44 -2.142 6.036 8.334 1.00 31.41 N ATOM 615 CA ILE A 44 -2.624 4.661 8.368 1.00 53.41 C ATOM 616 C ILE A 44 -1.532 3.678 8.791 1.00 53.21 C ATOM 617 O ILE A 44 -1.821 2.611 9.320 1.00 52.24 O ATOM 618 CB ILE A 44 -3.306 4.235 7.025 1.00 62.32 C ATOM 619 CG1 ILE A 44 -3.839 2.795 7.099 1.00 34.03 C ATOM 620 CG2 ILE A 44 -2.349 4.384 5.852 1.00 64.04 C ATOM 621 CD1 ILE A 44 -4.737 2.439 5.990 1.00 22.12 C ATOM 0 H ILE A 44 -2.071 6.434 7.397 1.00 31.41 H new ATOM 0 HA ILE A 44 -3.397 4.625 9.135 1.00 53.41 H new ATOM 0 HB ILE A 44 -4.153 4.903 6.866 1.00 62.32 H new ATOM 0 HG12 ILE A 44 -2.995 2.105 7.108 1.00 34.03 H new ATOM 0 HG13 ILE A 44 -4.370 2.661 8.042 1.00 34.03 H new ATOM 0 HG21 ILE A 44 -2.850 4.081 4.933 1.00 64.04 H new ATOM 0 HG22 ILE A 44 -2.035 5.425 5.768 1.00 64.04 H new ATOM 0 HG23 ILE A 44 -1.475 3.753 6.013 1.00 64.04 H new ATOM 0 HD11 ILE A 44 -5.073 1.409 6.110 1.00 22.12 H new ATOM 0 HD12 ILE A 44 -5.600 3.105 5.993 1.00 22.12 H new ATOM 0 HD13 ILE A 44 -4.205 2.539 5.044 1.00 22.12 H new ATOM 633 N ALA A 45 -0.274 4.062 8.605 1.00 44.50 N ATOM 634 CA ALA A 45 0.852 3.219 9.007 1.00 44.32 C ATOM 635 C ALA A 45 0.822 2.940 10.518 1.00 31.33 C ATOM 636 O ALA A 45 1.255 1.888 10.976 1.00 34.21 O ATOM 637 CB ALA A 45 2.164 3.865 8.622 1.00 73.45 C ATOM 0 H ALA A 45 -0.006 4.949 8.179 1.00 44.50 H new ATOM 0 HA ALA A 45 0.761 2.268 8.482 1.00 44.32 H new ATOM 0 HB1 ALA A 45 2.990 3.223 8.929 1.00 73.45 H new ATOM 0 HB2 ALA A 45 2.197 4.006 7.542 1.00 73.45 H new ATOM 0 HB3 ALA A 45 2.253 4.832 9.117 1.00 73.45 H new ATOM 643 N VAL A 46 0.258 3.876 11.278 1.00 44.01 N ATOM 644 CA VAL A 46 0.159 3.749 12.727 1.00 73.23 C ATOM 645 C VAL A 46 -0.759 2.575 13.095 1.00 55.42 C ATOM 646 O VAL A 46 -0.551 1.893 14.102 1.00 32.34 O ATOM 647 CB VAL A 46 -0.351 5.064 13.369 1.00 53.42 C ATOM 648 CG1 VAL A 46 -0.390 4.970 14.886 1.00 41.32 C ATOM 649 CG2 VAL A 46 0.525 6.211 12.943 1.00 43.35 C ATOM 0 H VAL A 46 -0.141 4.739 10.908 1.00 44.01 H new ATOM 0 HA VAL A 46 1.156 3.551 13.121 1.00 73.23 H new ATOM 0 HB VAL A 46 -1.371 5.235 13.023 1.00 53.42 H new ATOM 0 HG11 VAL A 46 -0.753 5.911 15.300 1.00 41.32 H new ATOM 0 HG12 VAL A 46 -1.058 4.162 15.183 1.00 41.32 H new ATOM 0 HG13 VAL A 46 0.613 4.770 15.264 1.00 41.32 H new ATOM 0 HG21 VAL A 46 0.163 7.134 13.397 1.00 43.35 H new ATOM 0 HG22 VAL A 46 1.550 6.026 13.266 1.00 43.35 H new ATOM 0 HG23 VAL A 46 0.498 6.306 11.857 1.00 43.35 H new ATOM 659 N LEU A 47 -1.762 2.351 12.273 1.00 15.55 N ATOM 660 CA LEU A 47 -2.680 1.228 12.423 1.00 25.51 C ATOM 661 C LEU A 47 -1.973 -0.088 12.198 1.00 54.25 C ATOM 662 O LEU A 47 -2.220 -1.076 12.902 1.00 73.33 O ATOM 663 CB LEU A 47 -3.857 1.398 11.466 1.00 4.43 C ATOM 664 CG LEU A 47 -4.920 2.384 11.931 1.00 15.13 C ATOM 665 CD1 LEU A 47 -5.822 2.811 10.784 1.00 42.11 C ATOM 666 CD2 LEU A 47 -5.760 1.706 12.989 1.00 72.33 C ATOM 0 H LEU A 47 -1.970 2.946 11.471 1.00 15.55 H new ATOM 0 HA LEU A 47 -3.060 1.216 13.445 1.00 25.51 H new ATOM 0 HB2 LEU A 47 -3.476 1.725 10.498 1.00 4.43 H new ATOM 0 HB3 LEU A 47 -4.325 0.426 11.312 1.00 4.43 H new ATOM 0 HG LEU A 47 -4.428 3.274 12.324 1.00 15.13 H new ATOM 0 HD11 LEU A 47 -6.569 3.515 11.151 1.00 42.11 H new ATOM 0 HD12 LEU A 47 -5.223 3.289 10.009 1.00 42.11 H new ATOM 0 HD13 LEU A 47 -6.321 1.936 10.369 1.00 42.11 H new ATOM 0 HD21 LEU A 47 -6.530 2.394 13.338 1.00 72.33 H new ATOM 0 HD22 LEU A 47 -6.231 0.819 12.566 1.00 72.33 H new ATOM 0 HD23 LEU A 47 -5.126 1.416 13.827 1.00 72.33 H new ATOM 678 N PHE A 48 -1.061 -0.086 11.271 1.00 5.32 N ATOM 679 CA PHE A 48 -0.322 -1.271 10.924 1.00 65.11 C ATOM 680 C PHE A 48 0.741 -1.573 11.941 1.00 31.11 C ATOM 681 O PHE A 48 1.082 -2.732 12.155 1.00 21.20 O ATOM 682 CB PHE A 48 0.200 -1.186 9.488 1.00 52.23 C ATOM 683 CG PHE A 48 -0.938 -1.293 8.519 1.00 24.14 C ATOM 684 CD1 PHE A 48 -1.859 -0.280 8.392 1.00 55.02 C ATOM 685 CD2 PHE A 48 -1.118 -2.434 7.780 1.00 35.52 C ATOM 686 CE1 PHE A 48 -2.930 -0.406 7.563 1.00 31.04 C ATOM 687 CE2 PHE A 48 -2.187 -2.559 6.936 1.00 43.41 C ATOM 688 CZ PHE A 48 -3.098 -1.535 6.836 1.00 25.15 C ATOM 0 H PHE A 48 -0.805 0.740 10.730 1.00 5.32 H new ATOM 0 HA PHE A 48 -0.997 -2.126 10.949 1.00 65.11 H new ATOM 0 HB2 PHE A 48 0.727 -0.243 9.340 1.00 52.23 H new ATOM 0 HB3 PHE A 48 0.919 -1.985 9.306 1.00 52.23 H new ATOM 0 HD1 PHE A 48 -1.730 0.630 8.959 1.00 55.02 H new ATOM 0 HD2 PHE A 48 -0.408 -3.243 7.865 1.00 35.52 H new ATOM 0 HE1 PHE A 48 -3.648 0.397 7.485 1.00 31.04 H new ATOM 0 HE2 PHE A 48 -2.315 -3.458 6.351 1.00 43.41 H new ATOM 0 HZ PHE A 48 -3.948 -1.631 6.177 1.00 25.15 H new ATOM 698 N LYS A 49 1.222 -0.532 12.600 1.00 5.10 N ATOM 699 CA LYS A 49 2.174 -0.663 13.674 1.00 10.12 C ATOM 700 C LYS A 49 1.637 -1.586 14.795 1.00 45.31 C ATOM 701 O LYS A 49 2.382 -2.405 15.340 1.00 42.34 O ATOM 702 CB LYS A 49 2.552 0.720 14.195 1.00 55.12 C ATOM 703 CG LYS A 49 3.609 0.701 15.275 1.00 33.44 C ATOM 704 CD LYS A 49 4.211 2.075 15.466 1.00 64.05 C ATOM 705 CE LYS A 49 3.196 3.116 15.931 1.00 42.54 C ATOM 706 NZ LYS A 49 3.810 4.459 16.102 1.00 3.04 N ATOM 0 H LYS A 49 0.957 0.432 12.398 1.00 5.10 H new ATOM 0 HA LYS A 49 3.077 -1.140 13.293 1.00 10.12 H new ATOM 0 HB2 LYS A 49 2.909 1.326 13.362 1.00 55.12 H new ATOM 0 HB3 LYS A 49 1.658 1.208 14.584 1.00 55.12 H new ATOM 0 HG2 LYS A 49 3.171 0.358 16.212 1.00 33.44 H new ATOM 0 HG3 LYS A 49 4.392 -0.010 15.011 1.00 33.44 H new ATOM 0 HD2 LYS A 49 5.018 2.013 16.196 1.00 64.05 H new ATOM 0 HD3 LYS A 49 4.655 2.404 14.526 1.00 64.05 H new ATOM 0 HE2 LYS A 49 2.384 3.179 15.206 1.00 42.54 H new ATOM 0 HE3 LYS A 49 2.756 2.796 16.876 1.00 42.54 H new ATOM 0 HZ1 LYS A 49 3.487 4.877 16.998 1.00 3.04 H new ATOM 0 HZ2 LYS A 49 4.846 4.368 16.116 1.00 3.04 H new ATOM 0 HZ3 LYS A 49 3.527 5.073 15.312 1.00 3.04 H new ATOM 720 N LYS A 50 0.351 -1.437 15.162 1.00 42.11 N ATOM 721 CA LYS A 50 -0.259 -2.359 16.111 1.00 33.40 C ATOM 722 C LYS A 50 -0.596 -3.724 15.508 1.00 72.34 C ATOM 723 O LYS A 50 -0.378 -4.766 16.134 1.00 72.20 O ATOM 724 CB LYS A 50 -1.491 -1.805 16.820 1.00 42.33 C ATOM 725 CG LYS A 50 -1.227 -0.661 17.786 1.00 74.10 C ATOM 726 CD LYS A 50 -1.158 0.695 17.124 1.00 45.50 C ATOM 727 CE LYS A 50 -2.516 1.072 16.544 1.00 54.31 C ATOM 728 NZ LYS A 50 -2.526 2.437 16.020 1.00 61.32 N ATOM 0 H LYS A 50 -0.267 -0.701 14.820 1.00 42.11 H new ATOM 0 HA LYS A 50 0.524 -2.492 16.857 1.00 33.40 H new ATOM 0 HB2 LYS A 50 -2.201 -1.465 16.066 1.00 42.33 H new ATOM 0 HB3 LYS A 50 -1.971 -2.617 17.367 1.00 42.33 H new ATOM 0 HG2 LYS A 50 -2.014 -0.647 18.540 1.00 74.10 H new ATOM 0 HG3 LYS A 50 -0.288 -0.848 18.308 1.00 74.10 H new ATOM 0 HD2 LYS A 50 -0.844 1.446 17.849 1.00 45.50 H new ATOM 0 HD3 LYS A 50 -0.408 0.683 16.333 1.00 45.50 H new ATOM 0 HE2 LYS A 50 -2.776 0.375 15.747 1.00 54.31 H new ATOM 0 HE3 LYS A 50 -3.280 0.974 17.315 1.00 54.31 H new ATOM 0 HZ1 LYS A 50 -3.492 2.690 15.728 1.00 61.32 H new ATOM 0 HZ2 LYS A 50 -2.204 3.095 16.759 1.00 61.32 H new ATOM 0 HZ3 LYS A 50 -1.889 2.499 15.200 1.00 61.32 H new ATOM 742 N LYS A 51 -1.148 -3.716 14.304 1.00 10.43 N ATOM 743 CA LYS A 51 -1.641 -4.934 13.693 1.00 75.24 C ATOM 744 C LYS A 51 -0.558 -5.880 13.183 1.00 22.22 C ATOM 745 O LYS A 51 -0.640 -7.086 13.412 1.00 11.22 O ATOM 746 CB LYS A 51 -2.661 -4.620 12.622 1.00 60.33 C ATOM 747 CG LYS A 51 -3.934 -4.005 13.181 1.00 35.21 C ATOM 748 CD LYS A 51 -4.900 -3.686 12.078 1.00 23.35 C ATOM 749 CE LYS A 51 -6.200 -3.064 12.602 1.00 42.54 C ATOM 750 NZ LYS A 51 -6.965 -3.990 13.466 1.00 42.44 N ATOM 0 H LYS A 51 -1.264 -2.878 13.734 1.00 10.43 H new ATOM 0 HA LYS A 51 -2.127 -5.488 14.496 1.00 75.24 H new ATOM 0 HB2 LYS A 51 -2.221 -3.935 11.897 1.00 60.33 H new ATOM 0 HB3 LYS A 51 -2.911 -5.535 12.085 1.00 60.33 H new ATOM 0 HG2 LYS A 51 -4.396 -4.694 13.888 1.00 35.21 H new ATOM 0 HG3 LYS A 51 -3.693 -3.097 13.733 1.00 35.21 H new ATOM 0 HD2 LYS A 51 -4.430 -2.999 11.374 1.00 23.35 H new ATOM 0 HD3 LYS A 51 -5.133 -4.597 11.527 1.00 23.35 H new ATOM 0 HE2 LYS A 51 -5.965 -2.159 13.163 1.00 42.54 H new ATOM 0 HE3 LYS A 51 -6.821 -2.764 11.758 1.00 42.54 H new ATOM 0 HZ1 LYS A 51 -7.894 -3.575 13.683 1.00 42.44 H new ATOM 0 HZ2 LYS A 51 -7.097 -4.896 12.973 1.00 42.44 H new ATOM 0 HZ3 LYS A 51 -6.443 -4.151 14.351 1.00 42.44 H new ATOM 764 N PHE A 52 0.442 -5.367 12.507 1.00 51.54 N ATOM 765 CA PHE A 52 1.499 -6.236 12.000 1.00 3.05 C ATOM 766 C PHE A 52 2.839 -5.856 12.574 1.00 43.52 C ATOM 767 O PHE A 52 3.762 -6.683 12.630 1.00 52.30 O ATOM 768 CB PHE A 52 1.606 -6.142 10.480 1.00 74.43 C ATOM 769 CG PHE A 52 0.349 -6.432 9.747 1.00 33.41 C ATOM 770 CD1 PHE A 52 -0.110 -7.722 9.601 1.00 3.04 C ATOM 771 CD2 PHE A 52 -0.367 -5.407 9.198 1.00 30.34 C ATOM 772 CE1 PHE A 52 -1.273 -7.975 8.913 1.00 61.23 C ATOM 773 CE2 PHE A 52 -1.527 -5.644 8.510 1.00 54.52 C ATOM 774 CZ PHE A 52 -1.986 -6.931 8.362 1.00 21.21 C ATOM 0 H PHE A 52 0.554 -4.376 12.294 1.00 51.54 H new ATOM 0 HA PHE A 52 1.236 -7.251 12.298 1.00 3.05 H new ATOM 0 HB2 PHE A 52 1.941 -5.139 10.215 1.00 74.43 H new ATOM 0 HB3 PHE A 52 2.376 -6.835 10.141 1.00 74.43 H new ATOM 0 HD1 PHE A 52 0.448 -8.541 10.030 1.00 3.04 H new ATOM 0 HD2 PHE A 52 -0.013 -4.393 9.308 1.00 30.34 H new ATOM 0 HE1 PHE A 52 -1.628 -8.989 8.804 1.00 61.23 H new ATOM 0 HE2 PHE A 52 -2.081 -4.820 8.084 1.00 54.52 H new ATOM 0 HZ PHE A 52 -2.899 -7.123 7.818 1.00 21.21 H new ATOM 784 N GLY A 53 2.947 -4.623 13.001 1.00 45.24 N ATOM 785 CA GLY A 53 4.205 -4.107 13.428 1.00 24.44 C ATOM 786 C GLY A 53 5.015 -3.778 12.212 1.00 72.25 C ATOM 787 O GLY A 53 4.630 -2.919 11.424 1.00 3.02 O ATOM 0 H GLY A 53 2.171 -3.963 13.059 1.00 45.24 H new ATOM 0 HA2 GLY A 53 4.062 -3.217 14.041 1.00 24.44 H new ATOM 0 HA3 GLY A 53 4.726 -4.839 14.045 1.00 24.44 H new ATOM 791 N GLY A 54 6.117 -4.457 12.048 1.00 42.43 N ATOM 792 CA GLY A 54 6.902 -4.319 10.852 1.00 33.44 C ATOM 793 C GLY A 54 7.816 -3.129 10.856 1.00 44.20 C ATOM 794 O GLY A 54 8.617 -2.984 9.962 1.00 40.20 O ATOM 0 H GLY A 54 6.493 -5.115 12.731 1.00 42.43 H new ATOM 0 HA2 GLY A 54 7.498 -5.221 10.715 1.00 33.44 H new ATOM 0 HA3 GLY A 54 6.231 -4.246 9.996 1.00 33.44 H new ATOM 798 N VAL A 55 7.715 -2.292 11.879 1.00 2.34 N ATOM 799 CA VAL A 55 8.510 -1.073 11.973 1.00 32.13 C ATOM 800 C VAL A 55 10.003 -1.397 11.910 1.00 12.21 C ATOM 801 O VAL A 55 10.743 -0.810 11.129 1.00 54.01 O ATOM 802 CB VAL A 55 8.193 -0.296 13.276 1.00 64.44 C ATOM 803 CG1 VAL A 55 8.966 1.010 13.334 1.00 44.53 C ATOM 804 CG2 VAL A 55 6.703 -0.036 13.394 1.00 74.32 C ATOM 0 H VAL A 55 7.082 -2.437 12.666 1.00 2.34 H new ATOM 0 HA VAL A 55 8.248 -0.442 11.124 1.00 32.13 H new ATOM 0 HB VAL A 55 8.505 -0.912 14.119 1.00 64.44 H new ATOM 0 HG11 VAL A 55 8.725 1.535 14.258 1.00 44.53 H new ATOM 0 HG12 VAL A 55 10.035 0.801 13.304 1.00 44.53 H new ATOM 0 HG13 VAL A 55 8.693 1.632 12.482 1.00 44.53 H new ATOM 0 HG21 VAL A 55 6.501 0.510 14.315 1.00 74.32 H new ATOM 0 HG22 VAL A 55 6.368 0.554 12.541 1.00 74.32 H new ATOM 0 HG23 VAL A 55 6.168 -0.986 13.411 1.00 74.32 H new ATOM 814 N GLN A 56 10.421 -2.366 12.702 1.00 22.01 N ATOM 815 CA GLN A 56 11.791 -2.797 12.720 1.00 75.11 C ATOM 816 C GLN A 56 12.116 -3.522 11.459 1.00 12.11 C ATOM 817 O GLN A 56 13.181 -3.367 10.940 1.00 62.42 O ATOM 818 CB GLN A 56 12.087 -3.676 13.941 1.00 72.14 C ATOM 819 CG GLN A 56 12.187 -2.964 15.298 1.00 24.21 C ATOM 820 CD GLN A 56 10.998 -2.096 15.646 1.00 4.22 C ATOM 821 OE1 GLN A 56 10.012 -2.566 16.213 1.00 33.41 O ATOM 822 NE2 GLN A 56 11.102 -0.821 15.363 1.00 35.12 N ATOM 0 H GLN A 56 9.815 -2.871 13.348 1.00 22.01 H new ATOM 0 HA GLN A 56 12.423 -1.912 12.793 1.00 75.11 H new ATOM 0 HB2 GLN A 56 11.307 -4.434 14.011 1.00 72.14 H new ATOM 0 HB3 GLN A 56 13.026 -4.201 13.763 1.00 72.14 H new ATOM 0 HG2 GLN A 56 12.312 -3.715 16.078 1.00 24.21 H new ATOM 0 HG3 GLN A 56 13.085 -2.346 15.303 1.00 24.21 H new ATOM 0 HE21 GLN A 56 11.936 -0.469 14.892 1.00 35.12 H new ATOM 0 HE22 GLN A 56 10.349 -0.180 15.614 1.00 35.12 H new ATOM 831 N GLU A 57 11.176 -4.283 10.953 1.00 43.13 N ATOM 832 CA GLU A 57 11.388 -5.025 9.718 1.00 52.04 C ATOM 833 C GLU A 57 11.674 -4.059 8.561 1.00 34.12 C ATOM 834 O GLU A 57 12.603 -4.264 7.789 1.00 4.35 O ATOM 835 CB GLU A 57 10.183 -5.908 9.396 1.00 42.55 C ATOM 836 CG GLU A 57 9.855 -6.927 10.478 1.00 53.24 C ATOM 837 CD GLU A 57 8.696 -7.821 10.106 1.00 63.14 C ATOM 838 OE1 GLU A 57 8.905 -8.765 9.313 1.00 34.35 O ATOM 839 OE2 GLU A 57 7.559 -7.615 10.618 1.00 72.42 O ATOM 0 H GLU A 57 10.255 -4.410 11.372 1.00 43.13 H new ATOM 0 HA GLU A 57 12.253 -5.674 9.853 1.00 52.04 H new ATOM 0 HB2 GLU A 57 9.313 -5.272 9.234 1.00 42.55 H new ATOM 0 HB3 GLU A 57 10.371 -6.435 8.460 1.00 42.55 H new ATOM 0 HG2 GLU A 57 10.735 -7.541 10.671 1.00 53.24 H new ATOM 0 HG3 GLU A 57 9.622 -6.404 11.405 1.00 53.24 H new ATOM 846 N LEU A 58 10.888 -2.998 8.484 1.00 63.23 N ATOM 847 CA LEU A 58 11.050 -1.962 7.472 1.00 43.40 C ATOM 848 C LEU A 58 12.379 -1.242 7.671 1.00 41.23 C ATOM 849 O LEU A 58 13.139 -1.031 6.717 1.00 72.43 O ATOM 850 CB LEU A 58 9.899 -0.959 7.567 1.00 2.02 C ATOM 851 CG LEU A 58 8.490 -1.535 7.398 1.00 71.32 C ATOM 852 CD1 LEU A 58 7.448 -0.457 7.604 1.00 32.03 C ATOM 853 CD2 LEU A 58 8.329 -2.179 6.034 1.00 4.21 C ATOM 0 H LEU A 58 10.113 -2.828 9.126 1.00 63.23 H new ATOM 0 HA LEU A 58 11.041 -2.426 6.486 1.00 43.40 H new ATOM 0 HB2 LEU A 58 9.954 -0.464 8.537 1.00 2.02 H new ATOM 0 HB3 LEU A 58 10.049 -0.191 6.808 1.00 2.02 H new ATOM 0 HG LEU A 58 8.345 -2.305 8.155 1.00 71.32 H new ATOM 0 HD11 LEU A 58 6.453 -0.884 7.480 1.00 32.03 H new ATOM 0 HD12 LEU A 58 7.544 -0.046 8.609 1.00 32.03 H new ATOM 0 HD13 LEU A 58 7.596 0.337 6.872 1.00 32.03 H new ATOM 0 HD21 LEU A 58 7.320 -2.581 5.938 1.00 4.21 H new ATOM 0 HD22 LEU A 58 8.498 -1.433 5.257 1.00 4.21 H new ATOM 0 HD23 LEU A 58 9.053 -2.987 5.925 1.00 4.21 H new ATOM 865 N LEU A 59 12.663 -0.891 8.918 1.00 34.43 N ATOM 866 CA LEU A 59 13.907 -0.230 9.269 1.00 73.44 C ATOM 867 C LEU A 59 15.110 -1.123 9.049 1.00 23.14 C ATOM 868 O LEU A 59 16.175 -0.642 8.732 1.00 61.34 O ATOM 869 CB LEU A 59 13.874 0.308 10.695 1.00 54.40 C ATOM 870 CG LEU A 59 12.917 1.470 10.951 1.00 44.42 C ATOM 871 CD1 LEU A 59 12.914 1.839 12.414 1.00 61.43 C ATOM 872 CD2 LEU A 59 13.316 2.674 10.114 1.00 31.22 C ATOM 0 H LEU A 59 12.040 -1.056 9.709 1.00 34.43 H new ATOM 0 HA LEU A 59 14.010 0.621 8.595 1.00 73.44 H new ATOM 0 HB2 LEU A 59 13.608 -0.510 11.365 1.00 54.40 H new ATOM 0 HB3 LEU A 59 14.881 0.626 10.965 1.00 54.40 H new ATOM 0 HG LEU A 59 11.912 1.158 10.667 1.00 44.42 H new ATOM 0 HD11 LEU A 59 12.227 2.669 12.579 1.00 61.43 H new ATOM 0 HD12 LEU A 59 12.595 0.981 13.005 1.00 61.43 H new ATOM 0 HD13 LEU A 59 13.919 2.135 12.717 1.00 61.43 H new ATOM 0 HD21 LEU A 59 12.626 3.495 10.306 1.00 31.22 H new ATOM 0 HD22 LEU A 59 14.328 2.981 10.378 1.00 31.22 H new ATOM 0 HD23 LEU A 59 13.281 2.410 9.057 1.00 31.22 H new ATOM 884 N ASN A 60 14.937 -2.418 9.234 1.00 42.11 N ATOM 885 CA ASN A 60 16.006 -3.387 8.937 1.00 24.20 C ATOM 886 C ASN A 60 16.314 -3.451 7.455 1.00 44.23 C ATOM 887 O ASN A 60 17.461 -3.657 7.070 1.00 60.02 O ATOM 888 CB ASN A 60 15.717 -4.810 9.472 1.00 61.34 C ATOM 889 CG ASN A 60 15.929 -5.002 10.977 1.00 22.24 C ATOM 890 OD1 ASN A 60 15.731 -3.983 11.762 1.00 35.41 O flip ATOM 891 ND2 ASN A 60 16.273 -6.097 11.419 1.00 60.44 N flip ATOM 0 H ASN A 60 14.075 -2.834 9.586 1.00 42.11 H new ATOM 0 HA ASN A 60 16.881 -3.012 9.468 1.00 24.20 H new ATOM 0 HB2 ASN A 60 14.685 -5.067 9.232 1.00 61.34 H new ATOM 0 HB3 ASN A 60 16.354 -5.516 8.940 1.00 61.34 H new ATOM 0 HD21 ASN A 60 16.422 -6.880 10.782 1.00 60.44 H new ATOM 0 HD22 ASN A 60 16.410 -6.222 12.422 1.00 60.44 H new ATOM 898 N GLN A 61 15.296 -3.260 6.626 1.00 25.22 N ATOM 899 CA GLN A 61 15.467 -3.285 5.168 1.00 34.11 C ATOM 900 C GLN A 61 16.255 -2.074 4.703 1.00 4.44 C ATOM 901 O GLN A 61 16.931 -2.123 3.676 1.00 42.41 O ATOM 902 CB GLN A 61 14.104 -3.299 4.462 1.00 1.52 C ATOM 903 CG GLN A 61 13.250 -4.503 4.779 1.00 40.11 C ATOM 904 CD GLN A 61 11.873 -4.442 4.144 1.00 21.14 C ATOM 905 OE1 GLN A 61 11.678 -3.869 3.073 1.00 41.40 O ATOM 906 NE2 GLN A 61 10.917 -5.023 4.804 1.00 10.41 N ATOM 0 H GLN A 61 14.339 -3.085 6.933 1.00 25.22 H new ATOM 0 HA GLN A 61 16.014 -4.193 4.913 1.00 34.11 H new ATOM 0 HB2 GLN A 61 13.556 -2.398 4.737 1.00 1.52 H new ATOM 0 HB3 GLN A 61 14.266 -3.257 3.385 1.00 1.52 H new ATOM 0 HG2 GLN A 61 13.761 -5.403 4.438 1.00 40.11 H new ATOM 0 HG3 GLN A 61 13.141 -4.589 5.860 1.00 40.11 H new ATOM 0 HE21 GLN A 61 11.118 -5.488 5.689 1.00 10.41 H new ATOM 0 HE22 GLN A 61 9.965 -5.014 4.437 1.00 10.41 H new ATOM 915 N GLN A 62 16.163 -1.000 5.485 1.00 43.51 N ATOM 916 CA GLN A 62 16.784 0.273 5.196 1.00 3.22 C ATOM 917 C GLN A 62 16.514 0.755 3.814 1.00 43.33 C ATOM 918 O GLN A 62 17.382 0.737 2.933 1.00 74.32 O ATOM 919 CB GLN A 62 18.246 0.325 5.547 1.00 31.25 C ATOM 920 CG GLN A 62 18.472 0.161 7.006 1.00 32.23 C ATOM 921 CD GLN A 62 19.920 0.252 7.408 1.00 2.45 C ATOM 922 OE1 GLN A 62 20.814 -0.095 6.647 1.00 23.12 O ATOM 923 NE2 GLN A 62 20.164 0.720 8.604 1.00 13.33 N ATOM 0 H GLN A 62 15.638 -1.001 6.359 1.00 43.51 H new ATOM 0 HA GLN A 62 16.296 0.980 5.867 1.00 3.22 H new ATOM 0 HB2 GLN A 62 18.777 -0.459 5.007 1.00 31.25 H new ATOM 0 HB3 GLN A 62 18.664 1.277 5.220 1.00 31.25 H new ATOM 0 HG2 GLN A 62 17.907 0.925 7.540 1.00 32.23 H new ATOM 0 HG3 GLN A 62 18.077 -0.805 7.320 1.00 32.23 H new ATOM 0 HE21 GLN A 62 19.392 0.999 9.210 1.00 13.33 H new ATOM 0 HE22 GLN A 62 21.126 0.806 8.931 1.00 13.33 H new ATOM 932 N LYS A 63 15.303 1.111 3.607 1.00 55.35 N ATOM 933 CA LYS A 63 14.882 1.624 2.346 1.00 45.54 C ATOM 934 C LYS A 63 14.894 3.106 2.407 1.00 20.01 C ATOM 935 O LYS A 63 14.739 3.680 3.478 1.00 74.12 O ATOM 936 CB LYS A 63 13.508 1.108 2.010 1.00 32.42 C ATOM 937 CG LYS A 63 13.436 -0.403 2.014 1.00 62.43 C ATOM 938 CD LYS A 63 14.402 -1.059 1.020 1.00 33.43 C ATOM 939 CE LYS A 63 14.104 -0.657 -0.408 1.00 21.21 C ATOM 940 NZ LYS A 63 15.098 -1.185 -1.371 1.00 33.33 N ATOM 0 H LYS A 63 14.565 1.057 4.309 1.00 55.35 H new ATOM 0 HA LYS A 63 15.562 1.293 1.561 1.00 45.54 H new ATOM 0 HB2 LYS A 63 12.790 1.504 2.728 1.00 32.42 H new ATOM 0 HB3 LYS A 63 13.215 1.479 1.028 1.00 32.42 H new ATOM 0 HG2 LYS A 63 13.655 -0.768 3.018 1.00 62.43 H new ATOM 0 HG3 LYS A 63 12.418 -0.712 1.778 1.00 62.43 H new ATOM 0 HD2 LYS A 63 15.425 -0.778 1.270 1.00 33.43 H new ATOM 0 HD3 LYS A 63 14.337 -2.143 1.113 1.00 33.43 H new ATOM 0 HE2 LYS A 63 13.112 -1.016 -0.683 1.00 21.21 H new ATOM 0 HE3 LYS A 63 14.080 0.431 -0.477 1.00 21.21 H new ATOM 0 HZ1 LYS A 63 15.696 -0.407 -1.715 1.00 33.33 H new ATOM 0 HZ2 LYS A 63 15.693 -1.897 -0.901 1.00 33.33 H new ATOM 0 HZ3 LYS A 63 14.604 -1.623 -2.175 1.00 33.33 H new ATOM 954 N LYS A 64 15.094 3.717 1.291 1.00 5.03 N ATOM 955 CA LYS A 64 15.218 5.160 1.220 1.00 14.30 C ATOM 956 C LYS A 64 14.225 5.762 0.261 1.00 32.53 C ATOM 957 O LYS A 64 13.488 5.045 -0.405 1.00 13.31 O ATOM 958 CB LYS A 64 16.637 5.586 0.854 1.00 34.15 C ATOM 959 CG LYS A 64 17.708 5.127 1.847 1.00 33.41 C ATOM 960 CD LYS A 64 17.381 5.568 3.270 1.00 3.34 C ATOM 961 CE LYS A 64 18.446 5.128 4.255 1.00 21.13 C ATOM 962 NZ LYS A 64 18.065 5.432 5.651 1.00 33.51 N ATOM 0 H LYS A 64 15.179 3.244 0.392 1.00 5.03 H new ATOM 0 HA LYS A 64 14.995 5.541 2.217 1.00 14.30 H new ATOM 0 HB2 LYS A 64 16.879 5.191 -0.132 1.00 34.15 H new ATOM 0 HB3 LYS A 64 16.670 6.673 0.779 1.00 34.15 H new ATOM 0 HG2 LYS A 64 17.795 4.041 1.813 1.00 33.41 H new ATOM 0 HG3 LYS A 64 18.676 5.533 1.553 1.00 33.41 H new ATOM 0 HD2 LYS A 64 17.284 6.653 3.301 1.00 3.34 H new ATOM 0 HD3 LYS A 64 16.418 5.153 3.567 1.00 3.34 H new ATOM 0 HE2 LYS A 64 18.617 4.057 4.150 1.00 21.13 H new ATOM 0 HE3 LYS A 64 19.387 5.625 4.019 1.00 21.13 H new ATOM 0 HZ1 LYS A 64 18.854 5.912 6.130 1.00 33.51 H new ATOM 0 HZ2 LYS A 64 17.229 6.051 5.656 1.00 33.51 H new ATOM 0 HZ3 LYS A 64 17.843 4.547 6.151 1.00 33.51 H new ATOM 976 N SER A 65 14.196 7.088 0.232 1.00 14.14 N ATOM 977 CA SER A 65 13.290 7.860 -0.613 1.00 42.01 C ATOM 978 C SER A 65 13.360 7.389 -2.076 1.00 0.04 C ATOM 979 O SER A 65 14.411 7.489 -2.728 1.00 33.23 O ATOM 980 CB SER A 65 13.663 9.346 -0.528 1.00 54.33 C ATOM 981 OG SER A 65 13.629 9.823 0.820 1.00 30.41 O ATOM 0 H SER A 65 14.810 7.668 0.803 1.00 14.14 H new ATOM 0 HA SER A 65 12.270 7.710 -0.258 1.00 42.01 H new ATOM 0 HB2 SER A 65 14.660 9.495 -0.942 1.00 54.33 H new ATOM 0 HB3 SER A 65 12.974 9.930 -1.138 1.00 54.33 H new ATOM 0 HG SER A 65 14.024 10.719 0.860 1.00 30.41 H new ATOM 987 N GLY A 66 12.254 6.869 -2.576 1.00 65.20 N ATOM 988 CA GLY A 66 12.209 6.387 -3.941 1.00 1.42 C ATOM 989 C GLY A 66 12.276 4.877 -4.010 1.00 61.22 C ATOM 990 O GLY A 66 12.255 4.289 -5.093 1.00 0.02 O ATOM 0 H GLY A 66 11.380 6.771 -2.059 1.00 65.20 H new ATOM 0 HA2 GLY A 66 11.291 6.732 -4.417 1.00 1.42 H new ATOM 0 HA3 GLY A 66 13.040 6.813 -4.504 1.00 1.42 H new ATOM 994 N GLU A 67 12.370 4.256 -2.865 1.00 50.23 N ATOM 995 CA GLU A 67 12.399 2.828 -2.748 1.00 43.41 C ATOM 996 C GLU A 67 11.184 2.374 -1.971 1.00 11.41 C ATOM 997 O GLU A 67 10.523 3.183 -1.311 1.00 41.11 O ATOM 998 CB GLU A 67 13.648 2.362 -2.035 1.00 63.24 C ATOM 999 CG GLU A 67 14.946 2.752 -2.698 1.00 1.44 C ATOM 1000 CD GLU A 67 16.131 2.252 -1.922 1.00 74.42 C ATOM 1001 OE1 GLU A 67 16.536 1.089 -2.114 1.00 5.23 O ATOM 1002 OE2 GLU A 67 16.667 3.006 -1.104 1.00 2.33 O ATOM 0 H GLU A 67 12.430 4.742 -1.970 1.00 50.23 H new ATOM 0 HA GLU A 67 12.396 2.398 -3.750 1.00 43.41 H new ATOM 0 HB2 GLU A 67 13.640 2.763 -1.022 1.00 63.24 H new ATOM 0 HB3 GLU A 67 13.614 1.276 -1.948 1.00 63.24 H new ATOM 0 HG2 GLU A 67 14.975 2.348 -3.710 1.00 1.44 H new ATOM 0 HG3 GLU A 67 14.999 3.837 -2.787 1.00 1.44 H new ATOM 1009 N VAL A 68 10.874 1.118 -2.059 1.00 52.43 N ATOM 1010 CA VAL A 68 9.709 0.589 -1.398 1.00 61.34 C ATOM 1011 C VAL A 68 10.111 -0.508 -0.403 1.00 71.41 C ATOM 1012 O VAL A 68 10.992 -1.329 -0.677 1.00 25.14 O ATOM 1013 CB VAL A 68 8.677 0.030 -2.437 1.00 51.02 C ATOM 1014 CG1 VAL A 68 9.217 -1.185 -3.185 1.00 13.32 C ATOM 1015 CG2 VAL A 68 7.350 -0.290 -1.788 1.00 30.25 C ATOM 0 H VAL A 68 11.413 0.430 -2.585 1.00 52.43 H new ATOM 0 HA VAL A 68 9.232 1.402 -0.851 1.00 61.34 H new ATOM 0 HB VAL A 68 8.514 0.822 -3.168 1.00 51.02 H new ATOM 0 HG11 VAL A 68 8.468 -1.538 -3.894 1.00 13.32 H new ATOM 0 HG12 VAL A 68 10.124 -0.908 -3.723 1.00 13.32 H new ATOM 0 HG13 VAL A 68 9.446 -1.978 -2.473 1.00 13.32 H new ATOM 0 HG21 VAL A 68 6.661 -0.675 -2.540 1.00 30.25 H new ATOM 0 HG22 VAL A 68 7.496 -1.041 -1.012 1.00 30.25 H new ATOM 0 HG23 VAL A 68 6.934 0.615 -1.344 1.00 30.25 H new ATOM 1025 N ALA A 69 9.505 -0.475 0.751 1.00 62.33 N ATOM 1026 CA ALA A 69 9.706 -1.480 1.768 1.00 23.23 C ATOM 1027 C ALA A 69 8.500 -2.399 1.757 1.00 3.21 C ATOM 1028 O ALA A 69 7.387 -1.947 1.470 1.00 55.40 O ATOM 1029 CB ALA A 69 9.889 -0.826 3.128 1.00 1.25 C ATOM 0 H ALA A 69 8.848 0.258 1.019 1.00 62.33 H new ATOM 0 HA ALA A 69 10.608 -2.057 1.565 1.00 23.23 H new ATOM 0 HB1 ALA A 69 10.039 -1.596 3.885 1.00 1.25 H new ATOM 0 HB2 ALA A 69 10.758 -0.168 3.102 1.00 1.25 H new ATOM 0 HB3 ALA A 69 9.001 -0.244 3.374 1.00 1.25 H new ATOM 1035 N VAL A 70 8.690 -3.667 2.031 1.00 51.24 N ATOM 1036 CA VAL A 70 7.577 -4.599 1.938 1.00 11.25 C ATOM 1037 C VAL A 70 7.535 -5.574 3.116 1.00 14.33 C ATOM 1038 O VAL A 70 8.572 -5.954 3.663 1.00 50.52 O ATOM 1039 CB VAL A 70 7.588 -5.374 0.566 1.00 11.02 C ATOM 1040 CG1 VAL A 70 8.847 -6.221 0.389 1.00 50.13 C ATOM 1041 CG2 VAL A 70 6.330 -6.219 0.374 1.00 14.01 C ATOM 0 H VAL A 70 9.580 -4.077 2.314 1.00 51.24 H new ATOM 0 HA VAL A 70 6.666 -4.002 1.983 1.00 11.25 H new ATOM 0 HB VAL A 70 7.596 -4.612 -0.213 1.00 11.02 H new ATOM 0 HG11 VAL A 70 8.807 -6.735 -0.571 1.00 50.13 H new ATOM 0 HG12 VAL A 70 9.726 -5.577 0.420 1.00 50.13 H new ATOM 0 HG13 VAL A 70 8.907 -6.956 1.192 1.00 50.13 H new ATOM 0 HG21 VAL A 70 6.381 -6.735 -0.585 1.00 14.01 H new ATOM 0 HG22 VAL A 70 6.258 -6.952 1.177 1.00 14.01 H new ATOM 0 HG23 VAL A 70 5.452 -5.574 0.392 1.00 14.01 H new ATOM 1051 N LEU A 71 6.339 -5.942 3.508 1.00 14.45 N ATOM 1052 CA LEU A 71 6.109 -6.923 4.555 1.00 2.22 C ATOM 1053 C LEU A 71 5.351 -8.085 3.955 1.00 2.14 C ATOM 1054 O LEU A 71 4.343 -7.886 3.255 1.00 42.25 O ATOM 1055 CB LEU A 71 5.295 -6.325 5.719 1.00 21.34 C ATOM 1056 CG LEU A 71 5.932 -5.151 6.470 1.00 43.03 C ATOM 1057 CD1 LEU A 71 5.014 -4.670 7.582 1.00 15.03 C ATOM 1058 CD2 LEU A 71 7.287 -5.546 7.045 1.00 70.30 C ATOM 0 H LEU A 71 5.481 -5.565 3.105 1.00 14.45 H new ATOM 0 HA LEU A 71 7.070 -7.248 4.954 1.00 2.22 H new ATOM 0 HB2 LEU A 71 4.332 -5.997 5.328 1.00 21.34 H new ATOM 0 HB3 LEU A 71 5.093 -7.120 6.437 1.00 21.34 H new ATOM 0 HG LEU A 71 6.082 -4.338 5.760 1.00 43.03 H new ATOM 0 HD11 LEU A 71 5.482 -3.836 8.105 1.00 15.03 H new ATOM 0 HD12 LEU A 71 4.065 -4.344 7.155 1.00 15.03 H new ATOM 0 HD13 LEU A 71 4.835 -5.484 8.284 1.00 15.03 H new ATOM 0 HD21 LEU A 71 7.720 -4.696 7.573 1.00 70.30 H new ATOM 0 HD22 LEU A 71 7.160 -6.378 7.738 1.00 70.30 H new ATOM 0 HD23 LEU A 71 7.952 -5.847 6.235 1.00 70.30 H new ATOM 1070 N LYS A 72 5.825 -9.277 4.195 1.00 24.23 N ATOM 1071 CA LYS A 72 5.204 -10.447 3.639 1.00 75.03 C ATOM 1072 C LYS A 72 4.208 -11.035 4.550 1.00 24.24 C ATOM 1073 O LYS A 72 4.456 -11.231 5.740 1.00 11.40 O ATOM 1074 CB LYS A 72 6.221 -11.481 3.252 1.00 14.22 C ATOM 1075 CG LYS A 72 7.113 -11.012 2.155 1.00 12.43 C ATOM 1076 CD LYS A 72 8.262 -11.977 1.894 1.00 24.52 C ATOM 1077 CE LYS A 72 7.753 -13.338 1.424 1.00 30.53 C ATOM 1078 NZ LYS A 72 8.841 -14.317 1.270 1.00 72.51 N ATOM 0 H LYS A 72 6.643 -9.464 4.775 1.00 24.23 H new ATOM 0 HA LYS A 72 4.683 -10.118 2.740 1.00 75.03 H new ATOM 0 HB2 LYS A 72 6.824 -11.739 4.123 1.00 14.22 H new ATOM 0 HB3 LYS A 72 5.710 -12.391 2.938 1.00 14.22 H new ATOM 0 HG2 LYS A 72 6.530 -10.889 1.242 1.00 12.43 H new ATOM 0 HG3 LYS A 72 7.515 -10.032 2.410 1.00 12.43 H new ATOM 0 HD2 LYS A 72 8.928 -11.556 1.141 1.00 24.52 H new ATOM 0 HD3 LYS A 72 8.848 -12.101 2.804 1.00 24.52 H new ATOM 0 HE2 LYS A 72 7.024 -13.718 2.140 1.00 30.53 H new ATOM 0 HE3 LYS A 72 7.235 -13.221 0.472 1.00 30.53 H new ATOM 0 HZ1 LYS A 72 8.448 -15.225 0.950 1.00 72.51 H new ATOM 0 HZ2 LYS A 72 9.525 -13.969 0.568 1.00 72.51 H new ATOM 0 HZ3 LYS A 72 9.320 -14.450 2.183 1.00 72.51 H new ATOM 1092 N ARG A 73 3.084 -11.296 3.994 1.00 63.30 N ATOM 1093 CA ARG A 73 1.987 -11.927 4.711 1.00 74.14 C ATOM 1094 C ARG A 73 1.526 -13.152 3.945 1.00 73.40 C ATOM 1095 O ARG A 73 0.570 -13.817 4.333 1.00 40.14 O ATOM 1096 CB ARG A 73 0.824 -10.941 4.879 1.00 60.23 C ATOM 1097 CG ARG A 73 1.179 -9.669 5.650 1.00 71.11 C ATOM 1098 CD ARG A 73 1.643 -9.983 7.066 1.00 64.22 C ATOM 1099 NE ARG A 73 0.603 -10.657 7.840 1.00 53.21 N ATOM 1100 CZ ARG A 73 0.753 -11.152 9.071 1.00 55.55 C ATOM 1101 NH1 ARG A 73 1.938 -11.091 9.682 1.00 43.43 N ATOM 1102 NH2 ARG A 73 -0.282 -11.707 9.690 1.00 43.34 N ATOM 0 H ARG A 73 2.875 -11.084 3.018 1.00 63.30 H new ATOM 0 HA ARG A 73 2.330 -12.227 5.701 1.00 74.14 H new ATOM 0 HB2 ARG A 73 0.455 -10.662 3.892 1.00 60.23 H new ATOM 0 HB3 ARG A 73 0.007 -11.447 5.393 1.00 60.23 H new ATOM 0 HG2 ARG A 73 1.964 -9.129 5.121 1.00 71.11 H new ATOM 0 HG3 ARG A 73 0.310 -9.012 5.688 1.00 71.11 H new ATOM 0 HD2 ARG A 73 2.532 -10.612 7.026 1.00 64.22 H new ATOM 0 HD3 ARG A 73 1.929 -9.059 7.568 1.00 64.22 H new ATOM 0 HE ARG A 73 -0.314 -10.758 7.404 1.00 53.21 H new ATOM 0 HH11 ARG A 73 2.735 -10.665 9.209 1.00 43.43 H new ATOM 0 HH12 ARG A 73 2.047 -11.471 10.622 1.00 43.43 H new ATOM 0 HH21 ARG A 73 -1.189 -11.754 9.225 1.00 43.34 H new ATOM 0 HH22 ARG A 73 -0.170 -12.086 10.630 1.00 43.34 H new ATOM 1116 N ASP A 74 2.253 -13.438 2.853 1.00 44.12 N ATOM 1117 CA ASP A 74 1.967 -14.544 1.919 1.00 51.30 C ATOM 1118 C ASP A 74 0.584 -14.434 1.324 1.00 55.33 C ATOM 1119 O ASP A 74 -0.422 -14.758 1.954 1.00 53.41 O ATOM 1120 CB ASP A 74 2.234 -15.937 2.513 1.00 3.43 C ATOM 1121 CG ASP A 74 3.691 -16.152 2.846 1.00 51.41 C ATOM 1122 OD1 ASP A 74 4.524 -16.161 1.926 1.00 54.15 O ATOM 1123 OD2 ASP A 74 4.035 -16.285 4.048 1.00 21.25 O ATOM 0 H ASP A 74 3.075 -12.896 2.587 1.00 44.12 H new ATOM 0 HA ASP A 74 2.682 -14.435 1.104 1.00 51.30 H new ATOM 0 HB2 ASP A 74 1.635 -16.065 3.415 1.00 3.43 H new ATOM 0 HB3 ASP A 74 1.910 -16.699 1.804 1.00 3.43 H new ATOM 1128 N GLY A 75 0.536 -13.963 0.114 1.00 22.15 N ATOM 1129 CA GLY A 75 -0.720 -13.690 -0.522 1.00 32.41 C ATOM 1130 C GLY A 75 -0.932 -12.208 -0.575 1.00 33.24 C ATOM 1131 O GLY A 75 -1.220 -11.642 -1.634 1.00 51.30 O ATOM 0 H GLY A 75 1.357 -13.758 -0.456 1.00 22.15 H new ATOM 0 HA2 GLY A 75 -0.730 -14.107 -1.529 1.00 32.41 H new ATOM 0 HA3 GLY A 75 -1.531 -14.166 0.028 1.00 32.41 H new ATOM 1135 N ARG A 76 -0.763 -11.565 0.568 1.00 14.01 N ATOM 1136 CA ARG A 76 -0.841 -10.144 0.642 1.00 55.13 C ATOM 1137 C ARG A 76 0.530 -9.629 0.950 1.00 20.45 C ATOM 1138 O ARG A 76 1.292 -10.260 1.708 1.00 73.41 O ATOM 1139 CB ARG A 76 -1.781 -9.657 1.740 1.00 74.43 C ATOM 1140 CG ARG A 76 -3.219 -10.124 1.659 1.00 22.31 C ATOM 1141 CD ARG A 76 -4.022 -9.390 2.712 1.00 40.23 C ATOM 1142 NE ARG A 76 -5.414 -9.847 2.831 1.00 74.03 N ATOM 1143 CZ ARG A 76 -6.488 -9.148 2.430 1.00 73.32 C ATOM 1144 NH1 ARG A 76 -6.353 -8.125 1.603 1.00 42.34 N ATOM 1145 NH2 ARG A 76 -7.705 -9.524 2.807 1.00 22.44 N ATOM 0 H ARG A 76 -0.570 -12.024 1.458 1.00 14.01 H new ATOM 0 HA ARG A 76 -1.227 -9.780 -0.310 1.00 55.13 H new ATOM 0 HB2 ARG A 76 -1.374 -9.972 2.701 1.00 74.43 H new ATOM 0 HB3 ARG A 76 -1.776 -8.567 1.734 1.00 74.43 H new ATOM 0 HG2 ARG A 76 -3.626 -9.928 0.667 1.00 22.31 H new ATOM 0 HG3 ARG A 76 -3.277 -11.200 1.820 1.00 22.31 H new ATOM 0 HD2 ARG A 76 -3.529 -9.507 3.677 1.00 40.23 H new ATOM 0 HD3 ARG A 76 -4.019 -8.325 2.479 1.00 40.23 H new ATOM 0 HE ARG A 76 -5.576 -10.763 3.249 1.00 74.03 H new ATOM 0 HH11 ARG A 76 -5.428 -7.861 1.265 1.00 42.34 H new ATOM 0 HH12 ARG A 76 -7.174 -7.600 1.303 1.00 42.34 H new ATOM 0 HH21 ARG A 76 -7.824 -10.344 3.402 1.00 22.44 H new ATOM 0 HH22 ARG A 76 -8.520 -8.992 2.502 1.00 22.44 H new ATOM 1159 N TYR A 77 0.863 -8.541 0.368 1.00 23.34 N ATOM 1160 CA TYR A 77 2.119 -7.904 0.613 1.00 71.31 C ATOM 1161 C TYR A 77 1.858 -6.491 1.022 1.00 23.24 C ATOM 1162 O TYR A 77 1.061 -5.800 0.390 1.00 2.31 O ATOM 1163 CB TYR A 77 3.031 -7.998 -0.621 1.00 34.14 C ATOM 1164 CG TYR A 77 3.430 -9.424 -0.945 1.00 22.35 C ATOM 1165 CD1 TYR A 77 2.597 -10.263 -1.682 1.00 74.02 C ATOM 1166 CD2 TYR A 77 4.625 -9.941 -0.483 1.00 62.11 C ATOM 1167 CE1 TYR A 77 2.952 -11.569 -1.944 1.00 15.22 C ATOM 1168 CE2 TYR A 77 4.983 -11.243 -0.736 1.00 52.10 C ATOM 1169 CZ TYR A 77 4.147 -12.054 -1.466 1.00 4.44 C ATOM 1170 OH TYR A 77 4.503 -13.364 -1.702 1.00 12.50 O ATOM 0 H TYR A 77 0.270 -8.053 -0.303 1.00 23.34 H new ATOM 0 HA TYR A 77 2.649 -8.410 1.420 1.00 71.31 H new ATOM 0 HB2 TYR A 77 2.519 -7.564 -1.480 1.00 34.14 H new ATOM 0 HB3 TYR A 77 3.929 -7.403 -0.451 1.00 34.14 H new ATOM 0 HD1 TYR A 77 1.657 -9.884 -2.054 1.00 74.02 H new ATOM 0 HD2 TYR A 77 5.290 -9.310 0.088 1.00 62.11 H new ATOM 0 HE1 TYR A 77 2.297 -12.206 -2.520 1.00 15.22 H new ATOM 0 HE2 TYR A 77 5.920 -11.629 -0.362 1.00 52.10 H new ATOM 0 HH TYR A 77 5.234 -13.392 -2.354 1.00 12.50 H new ATOM 1180 N ILE A 78 2.459 -6.070 2.095 1.00 13.44 N ATOM 1181 CA ILE A 78 2.219 -4.742 2.574 1.00 35.24 C ATOM 1182 C ILE A 78 3.356 -3.868 2.086 1.00 40.14 C ATOM 1183 O ILE A 78 4.517 -4.152 2.359 1.00 61.51 O ATOM 1184 CB ILE A 78 2.159 -4.701 4.132 1.00 70.34 C ATOM 1185 CG1 ILE A 78 1.292 -5.844 4.693 1.00 22.11 C ATOM 1186 CG2 ILE A 78 1.584 -3.369 4.600 1.00 73.32 C ATOM 1187 CD1 ILE A 78 -0.148 -5.820 4.234 1.00 51.22 C ATOM 0 H ILE A 78 3.113 -6.621 2.651 1.00 13.44 H new ATOM 0 HA ILE A 78 1.258 -4.388 2.200 1.00 35.24 H new ATOM 0 HB ILE A 78 3.177 -4.820 4.502 1.00 70.34 H new ATOM 0 HG12 ILE A 78 1.737 -6.796 4.404 1.00 22.11 H new ATOM 0 HG13 ILE A 78 1.314 -5.799 5.782 1.00 22.11 H new ATOM 0 HG21 ILE A 78 1.547 -3.351 5.689 1.00 73.32 H new ATOM 0 HG22 ILE A 78 2.216 -2.555 4.245 1.00 73.32 H new ATOM 0 HG23 ILE A 78 0.577 -3.247 4.200 1.00 73.32 H new ATOM 0 HD11 ILE A 78 -0.685 -6.659 4.676 1.00 51.22 H new ATOM 0 HD12 ILE A 78 -0.614 -4.886 4.547 1.00 51.22 H new ATOM 0 HD13 ILE A 78 -0.185 -5.898 3.147 1.00 51.22 H new ATOM 1199 N TYR A 79 3.026 -2.842 1.369 1.00 45.55 N ATOM 1200 CA TYR A 79 3.997 -1.958 0.795 1.00 10.25 C ATOM 1201 C TYR A 79 4.086 -0.684 1.531 1.00 61.52 C ATOM 1202 O TYR A 79 3.088 -0.161 2.057 1.00 51.21 O ATOM 1203 CB TYR A 79 3.701 -1.686 -0.673 1.00 42.40 C ATOM 1204 CG TYR A 79 3.817 -2.903 -1.507 1.00 51.12 C ATOM 1205 CD1 TYR A 79 5.031 -3.267 -2.026 1.00 21.35 C ATOM 1206 CD2 TYR A 79 2.723 -3.707 -1.750 1.00 34.13 C ATOM 1207 CE1 TYR A 79 5.167 -4.390 -2.767 1.00 33.11 C ATOM 1208 CE2 TYR A 79 2.845 -4.851 -2.486 1.00 42.51 C ATOM 1209 CZ TYR A 79 4.078 -5.189 -2.998 1.00 63.04 C ATOM 1210 OH TYR A 79 4.241 -6.347 -3.724 1.00 4.44 O ATOM 0 H TYR A 79 2.060 -2.588 1.161 1.00 45.55 H new ATOM 0 HA TYR A 79 4.960 -2.463 0.872 1.00 10.25 H new ATOM 0 HB2 TYR A 79 2.695 -1.278 -0.768 1.00 42.40 H new ATOM 0 HB3 TYR A 79 4.389 -0.927 -1.045 1.00 42.40 H new ATOM 0 HD1 TYR A 79 5.895 -2.646 -1.840 1.00 21.35 H new ATOM 0 HD2 TYR A 79 1.758 -3.428 -1.353 1.00 34.13 H new ATOM 0 HE1 TYR A 79 6.131 -4.656 -3.175 1.00 33.11 H new ATOM 0 HE2 TYR A 79 1.987 -5.482 -2.664 1.00 42.51 H new ATOM 0 HH TYR A 79 3.860 -6.228 -4.619 1.00 4.44 H new ATOM 1220 N TYR A 80 5.268 -0.199 1.595 1.00 1.32 N ATOM 1221 CA TYR A 80 5.569 1.033 2.199 1.00 74.03 C ATOM 1222 C TYR A 80 6.432 1.849 1.266 1.00 35.34 C ATOM 1223 O TYR A 80 7.631 1.601 1.128 1.00 52.25 O ATOM 1224 CB TYR A 80 6.235 0.816 3.551 1.00 53.24 C ATOM 1225 CG TYR A 80 5.318 0.193 4.578 1.00 64.33 C ATOM 1226 CD1 TYR A 80 4.507 0.989 5.376 1.00 73.02 C ATOM 1227 CD2 TYR A 80 5.249 -1.182 4.741 1.00 31.21 C ATOM 1228 CE1 TYR A 80 3.656 0.437 6.303 1.00 11.23 C ATOM 1229 CE2 TYR A 80 4.404 -1.743 5.671 1.00 23.30 C ATOM 1230 CZ TYR A 80 3.608 -0.926 6.448 1.00 51.03 C ATOM 1231 OH TYR A 80 2.754 -1.479 7.366 1.00 5.31 O ATOM 0 H TYR A 80 6.085 -0.674 1.210 1.00 1.32 H new ATOM 0 HA TYR A 80 4.649 1.588 2.384 1.00 74.03 H new ATOM 0 HB2 TYR A 80 7.108 0.177 3.419 1.00 53.24 H new ATOM 0 HB3 TYR A 80 6.594 1.773 3.929 1.00 53.24 H new ATOM 0 HD1 TYR A 80 4.546 2.063 5.266 1.00 73.02 H new ATOM 0 HD2 TYR A 80 5.867 -1.822 4.129 1.00 31.21 H new ATOM 0 HE1 TYR A 80 3.030 1.072 6.913 1.00 11.23 H new ATOM 0 HE2 TYR A 80 4.364 -2.815 5.792 1.00 23.30 H new ATOM 0 HH TYR A 80 2.839 -2.455 7.345 1.00 5.31 H new ATOM 1241 N LEU A 81 5.791 2.763 0.577 1.00 21.22 N ATOM 1242 CA LEU A 81 6.432 3.648 -0.349 1.00 44.35 C ATOM 1243 C LEU A 81 7.176 4.681 0.442 1.00 13.04 C ATOM 1244 O LEU A 81 6.567 5.418 1.226 1.00 74.24 O ATOM 1245 CB LEU A 81 5.367 4.361 -1.221 1.00 24.10 C ATOM 1246 CG LEU A 81 4.446 3.501 -2.120 1.00 32.13 C ATOM 1247 CD1 LEU A 81 5.224 2.567 -3.010 1.00 11.31 C ATOM 1248 CD2 LEU A 81 3.377 2.754 -1.345 1.00 35.20 C ATOM 0 H LEU A 81 4.784 2.910 0.651 1.00 21.22 H new ATOM 0 HA LEU A 81 7.106 3.086 -0.996 1.00 44.35 H new ATOM 0 HB2 LEU A 81 4.730 4.942 -0.555 1.00 24.10 H new ATOM 0 HB3 LEU A 81 5.887 5.071 -1.864 1.00 24.10 H new ATOM 0 HG LEU A 81 3.926 4.213 -2.761 1.00 32.13 H new ATOM 0 HD11 LEU A 81 4.533 1.986 -3.621 1.00 11.31 H new ATOM 0 HD12 LEU A 81 5.882 3.146 -3.658 1.00 11.31 H new ATOM 0 HD13 LEU A 81 5.821 1.892 -2.396 1.00 11.31 H new ATOM 0 HD21 LEU A 81 2.767 2.171 -2.036 1.00 35.20 H new ATOM 0 HD22 LEU A 81 3.850 2.085 -0.625 1.00 35.20 H new ATOM 0 HD23 LEU A 81 2.745 3.468 -0.816 1.00 35.20 H new ATOM 1260 N ILE A 82 8.462 4.740 0.273 1.00 13.21 N ATOM 1261 CA ILE A 82 9.240 5.705 0.987 1.00 22.34 C ATOM 1262 C ILE A 82 9.336 6.957 0.157 1.00 15.34 C ATOM 1263 O ILE A 82 9.991 6.973 -0.901 1.00 54.24 O ATOM 1264 CB ILE A 82 10.666 5.212 1.283 1.00 30.22 C ATOM 1265 CG1 ILE A 82 10.675 3.832 1.984 1.00 14.41 C ATOM 1266 CG2 ILE A 82 11.367 6.237 2.146 1.00 20.00 C ATOM 1267 CD1 ILE A 82 10.025 3.798 3.352 1.00 32.50 C ATOM 0 H ILE A 82 8.993 4.133 -0.351 1.00 13.21 H new ATOM 0 HA ILE A 82 8.743 5.887 1.940 1.00 22.34 H new ATOM 0 HB ILE A 82 11.189 5.090 0.334 1.00 30.22 H new ATOM 0 HG12 ILE A 82 10.168 3.113 1.341 1.00 14.41 H new ATOM 0 HG13 ILE A 82 11.708 3.499 2.082 1.00 14.41 H new ATOM 0 HG21 ILE A 82 12.380 5.898 2.363 1.00 20.00 H new ATOM 0 HG22 ILE A 82 11.408 7.190 1.618 1.00 20.00 H new ATOM 0 HG23 ILE A 82 10.819 6.363 3.080 1.00 20.00 H new ATOM 0 HD11 ILE A 82 10.083 2.788 3.758 1.00 32.50 H new ATOM 0 HD12 ILE A 82 10.544 4.487 4.018 1.00 32.50 H new ATOM 0 HD13 ILE A 82 8.980 4.094 3.266 1.00 32.50 H new ATOM 1279 N THR A 83 8.684 7.981 0.600 1.00 12.33 N ATOM 1280 CA THR A 83 8.713 9.226 -0.084 1.00 21.33 C ATOM 1281 C THR A 83 9.892 10.080 0.364 1.00 32.45 C ATOM 1282 O THR A 83 10.666 10.561 -0.476 1.00 53.11 O ATOM 1283 CB THR A 83 7.386 9.976 0.082 1.00 4.44 C ATOM 1284 OG1 THR A 83 7.016 10.008 1.469 1.00 4.22 O ATOM 1285 CG2 THR A 83 6.288 9.318 -0.736 1.00 24.30 C ATOM 0 H THR A 83 8.116 7.975 1.447 1.00 12.33 H new ATOM 0 HA THR A 83 8.847 9.018 -1.145 1.00 21.33 H new ATOM 0 HB THR A 83 7.516 10.996 -0.280 1.00 4.44 H new ATOM 0 HG1 THR A 83 6.169 10.490 1.570 1.00 4.22 H new ATOM 0 HG21 THR A 83 5.356 9.867 -0.603 1.00 24.30 H new ATOM 0 HG22 THR A 83 6.566 9.325 -1.790 1.00 24.30 H new ATOM 0 HG23 THR A 83 6.153 8.289 -0.403 1.00 24.30 H new ATOM 1293 N LYS A 84 10.035 10.253 1.681 1.00 12.23 N ATOM 1294 CA LYS A 84 11.099 11.064 2.265 1.00 13.12 C ATOM 1295 C LYS A 84 11.573 10.481 3.606 1.00 75.23 C ATOM 1296 O LYS A 84 11.084 9.450 4.047 1.00 11.41 O ATOM 1297 CB LYS A 84 10.634 12.522 2.449 1.00 33.42 C ATOM 1298 CG LYS A 84 10.404 13.301 1.152 1.00 1.31 C ATOM 1299 CD LYS A 84 11.699 13.442 0.357 1.00 21.13 C ATOM 1300 CE LYS A 84 11.493 14.171 -0.952 1.00 43.31 C ATOM 1301 NZ LYS A 84 12.757 14.288 -1.712 1.00 14.21 N ATOM 0 H LYS A 84 9.413 9.832 2.371 1.00 12.23 H new ATOM 0 HA LYS A 84 11.942 11.051 1.574 1.00 13.12 H new ATOM 0 HB2 LYS A 84 9.707 12.521 3.023 1.00 33.42 H new ATOM 0 HB3 LYS A 84 11.378 13.051 3.045 1.00 33.42 H new ATOM 0 HG2 LYS A 84 9.656 12.791 0.546 1.00 1.31 H new ATOM 0 HG3 LYS A 84 10.007 14.289 1.384 1.00 1.31 H new ATOM 0 HD2 LYS A 84 12.434 13.978 0.957 1.00 21.13 H new ATOM 0 HD3 LYS A 84 12.110 12.452 0.158 1.00 21.13 H new ATOM 0 HE2 LYS A 84 10.754 13.641 -1.553 1.00 43.31 H new ATOM 0 HE3 LYS A 84 11.091 15.165 -0.757 1.00 43.31 H new ATOM 0 HZ1 LYS A 84 12.998 15.293 -1.832 1.00 14.21 H new ATOM 0 HZ2 LYS A 84 13.520 13.809 -1.193 1.00 14.21 H new ATOM 0 HZ3 LYS A 84 12.643 13.845 -2.646 1.00 14.21 H new ATOM 1315 N LYS A 85 12.534 11.155 4.235 1.00 40.14 N ATOM 1316 CA LYS A 85 13.104 10.725 5.527 1.00 34.44 C ATOM 1317 C LYS A 85 12.105 10.828 6.665 1.00 32.00 C ATOM 1318 O LYS A 85 12.001 9.936 7.494 1.00 64.10 O ATOM 1319 CB LYS A 85 14.330 11.571 5.892 1.00 54.45 C ATOM 1320 CG LYS A 85 15.455 11.534 4.899 1.00 32.41 C ATOM 1321 CD LYS A 85 16.642 12.318 5.412 1.00 43.01 C ATOM 1322 CE LYS A 85 17.719 12.410 4.362 1.00 41.32 C ATOM 1323 NZ LYS A 85 18.923 13.096 4.865 1.00 3.21 N ATOM 0 H LYS A 85 12.944 12.015 3.870 1.00 40.14 H new ATOM 0 HA LYS A 85 13.385 9.680 5.398 1.00 34.44 H new ATOM 0 HB2 LYS A 85 14.012 12.606 6.017 1.00 54.45 H new ATOM 0 HB3 LYS A 85 14.708 11.235 6.857 1.00 54.45 H new ATOM 0 HG2 LYS A 85 15.748 10.501 4.711 1.00 32.41 H new ATOM 0 HG3 LYS A 85 15.122 11.949 3.948 1.00 32.41 H new ATOM 0 HD2 LYS A 85 16.324 13.320 5.701 1.00 43.01 H new ATOM 0 HD3 LYS A 85 17.040 11.839 6.306 1.00 43.01 H new ATOM 0 HE2 LYS A 85 17.986 11.408 4.028 1.00 41.32 H new ATOM 0 HE3 LYS A 85 17.334 12.944 3.493 1.00 41.32 H new ATOM 0 HZ1 LYS A 85 19.639 13.138 4.112 1.00 3.21 H new ATOM 0 HZ2 LYS A 85 18.674 14.062 5.161 1.00 3.21 H new ATOM 0 HZ3 LYS A 85 19.306 12.573 5.678 1.00 3.21 H new ATOM 1337 N ARG A 86 11.405 11.942 6.728 1.00 32.20 N ATOM 1338 CA ARG A 86 10.453 12.216 7.795 1.00 40.42 C ATOM 1339 C ARG A 86 9.093 12.445 7.200 1.00 60.40 C ATOM 1340 O ARG A 86 8.999 12.900 6.067 1.00 71.25 O ATOM 1341 CB ARG A 86 10.882 13.458 8.613 1.00 13.24 C ATOM 1342 CG ARG A 86 12.022 13.253 9.628 1.00 40.10 C ATOM 1343 CD ARG A 86 13.234 12.601 9.031 1.00 42.33 C ATOM 1344 NE ARG A 86 14.312 12.392 9.985 1.00 51.50 N ATOM 1345 CZ ARG A 86 15.204 11.377 9.924 1.00 34.13 C ATOM 1346 NH1 ARG A 86 15.077 10.404 9.009 1.00 14.22 N ATOM 1347 NH2 ARG A 86 16.203 11.321 10.792 1.00 23.31 N ATOM 0 H ARG A 86 11.478 12.690 6.038 1.00 32.20 H new ATOM 0 HA ARG A 86 10.424 11.358 8.467 1.00 40.42 H new ATOM 0 HB2 ARG A 86 11.183 14.239 7.915 1.00 13.24 H new ATOM 0 HB3 ARG A 86 10.010 13.830 9.150 1.00 13.24 H new ATOM 0 HG2 ARG A 86 12.306 14.219 10.046 1.00 40.10 H new ATOM 0 HG3 ARG A 86 11.659 12.642 10.454 1.00 40.10 H new ATOM 0 HD2 ARG A 86 12.946 11.640 8.604 1.00 42.33 H new ATOM 0 HD3 ARG A 86 13.601 13.217 8.210 1.00 42.33 H new ATOM 0 HE ARG A 86 14.401 13.057 10.753 1.00 51.50 H new ATOM 0 HH11 ARG A 86 14.300 10.424 8.348 1.00 14.22 H new ATOM 0 HH12 ARG A 86 15.757 9.645 8.974 1.00 14.22 H new ATOM 0 HH21 ARG A 86 16.299 12.043 11.506 1.00 23.31 H new ATOM 0 HH22 ARG A 86 16.876 10.556 10.746 1.00 23.31 H new ATOM 1361 N ALA A 87 8.046 12.158 7.955 1.00 20.21 N ATOM 1362 CA ALA A 87 6.668 12.315 7.460 1.00 4.33 C ATOM 1363 C ALA A 87 6.285 13.790 7.358 1.00 61.34 C ATOM 1364 O ALA A 87 5.256 14.147 6.808 1.00 72.34 O ATOM 1365 CB ALA A 87 5.689 11.566 8.346 1.00 71.14 C ATOM 0 H ALA A 87 8.112 11.815 8.913 1.00 20.21 H new ATOM 0 HA ALA A 87 6.621 11.886 6.459 1.00 4.33 H new ATOM 0 HB1 ALA A 87 4.677 11.696 7.961 1.00 71.14 H new ATOM 0 HB2 ALA A 87 5.941 10.506 8.352 1.00 71.14 H new ATOM 0 HB3 ALA A 87 5.744 11.958 9.362 1.00 71.14 H new ATOM 1371 N SER A 88 7.120 14.632 7.911 1.00 11.24 N ATOM 1372 CA SER A 88 6.926 16.053 7.842 1.00 2.44 C ATOM 1373 C SER A 88 7.695 16.629 6.631 1.00 72.23 C ATOM 1374 O SER A 88 7.819 17.843 6.473 1.00 23.22 O ATOM 1375 CB SER A 88 7.410 16.672 9.142 1.00 52.41 C ATOM 1376 OG SER A 88 6.790 16.025 10.259 1.00 61.31 O ATOM 0 H SER A 88 7.955 14.348 8.423 1.00 11.24 H new ATOM 0 HA SER A 88 5.870 16.286 7.708 1.00 2.44 H new ATOM 0 HB2 SER A 88 8.494 16.581 9.215 1.00 52.41 H new ATOM 0 HB3 SER A 88 7.178 17.737 9.155 1.00 52.41 H new ATOM 0 HG SER A 88 7.111 16.431 11.091 1.00 61.31 H new ATOM 1382 N HIS A 89 8.222 15.733 5.789 1.00 34.34 N ATOM 1383 CA HIS A 89 8.904 16.128 4.578 1.00 60.04 C ATOM 1384 C HIS A 89 7.965 15.967 3.429 1.00 43.11 C ATOM 1385 O HIS A 89 7.164 15.018 3.401 1.00 1.43 O ATOM 1386 CB HIS A 89 10.171 15.298 4.316 1.00 14.22 C ATOM 1387 CG HIS A 89 11.275 15.485 5.314 1.00 21.23 C ATOM 1388 ND1 HIS A 89 12.461 14.777 5.282 1.00 73.12 N ATOM 1389 CD2 HIS A 89 11.363 16.293 6.378 1.00 32.34 C ATOM 1390 CE1 HIS A 89 13.218 15.142 6.297 1.00 42.20 C ATOM 1391 NE2 HIS A 89 12.575 16.063 6.974 1.00 44.50 N ATOM 0 H HIS A 89 8.182 14.725 5.937 1.00 34.34 H new ATOM 0 HA HIS A 89 9.216 17.166 4.693 1.00 60.04 H new ATOM 0 HB2 HIS A 89 9.897 14.243 4.295 1.00 14.22 H new ATOM 0 HB3 HIS A 89 10.552 15.548 3.326 1.00 14.22 H new ATOM 0 HD2 HIS A 89 10.614 16.998 6.707 1.00 32.34 H new ATOM 0 HE1 HIS A 89 14.197 14.751 6.531 1.00 42.20 H new ATOM 0 HE2 HIS A 89 12.922 16.533 7.810 1.00 44.50 H new ATOM 1400 N LYS A 90 8.057 16.852 2.492 1.00 25.34 N ATOM 1401 CA LYS A 90 7.150 16.833 1.364 1.00 52.41 C ATOM 1402 C LYS A 90 7.632 15.869 0.278 1.00 34.01 C ATOM 1403 O LYS A 90 8.808 15.886 -0.108 1.00 32.43 O ATOM 1404 CB LYS A 90 6.924 18.249 0.777 1.00 3.21 C ATOM 1405 CG LYS A 90 8.145 18.898 0.144 1.00 3.23 C ATOM 1406 CD LYS A 90 7.807 20.273 -0.408 1.00 21.10 C ATOM 1407 CE LYS A 90 8.990 20.893 -1.134 1.00 54.51 C ATOM 1408 NZ LYS A 90 9.400 20.090 -2.307 1.00 61.00 N ATOM 0 H LYS A 90 8.747 17.603 2.474 1.00 25.34 H new ATOM 0 HA LYS A 90 6.190 16.475 1.737 1.00 52.41 H new ATOM 0 HB2 LYS A 90 6.135 18.191 0.027 1.00 3.21 H new ATOM 0 HB3 LYS A 90 6.560 18.899 1.572 1.00 3.21 H new ATOM 0 HG2 LYS A 90 8.940 18.985 0.885 1.00 3.23 H new ATOM 0 HG3 LYS A 90 8.524 18.264 -0.657 1.00 3.23 H new ATOM 0 HD2 LYS A 90 6.962 20.193 -1.091 1.00 21.10 H new ATOM 0 HD3 LYS A 90 7.497 20.927 0.407 1.00 21.10 H new ATOM 0 HE2 LYS A 90 8.730 21.901 -1.457 1.00 54.51 H new ATOM 0 HE3 LYS A 90 9.830 20.986 -0.446 1.00 54.51 H new ATOM 0 HZ1 LYS A 90 10.012 20.663 -2.923 1.00 61.00 H new ATOM 0 HZ2 LYS A 90 9.921 19.249 -1.987 1.00 61.00 H new ATOM 0 HZ3 LYS A 90 8.556 19.793 -2.837 1.00 61.00 H new ATOM 1422 N PRO A 91 6.737 14.996 -0.204 1.00 1.11 N ATOM 1423 CA PRO A 91 7.050 14.065 -1.275 1.00 75.24 C ATOM 1424 C PRO A 91 7.212 14.820 -2.584 1.00 42.24 C ATOM 1425 O PRO A 91 6.524 15.814 -2.818 1.00 40.24 O ATOM 1426 CB PRO A 91 5.810 13.158 -1.341 1.00 65.13 C ATOM 1427 CG PRO A 91 4.708 13.976 -0.768 1.00 13.22 C ATOM 1428 CD PRO A 91 5.343 14.863 0.259 1.00 22.43 C ATOM 0 HA PRO A 91 7.974 13.512 -1.106 1.00 75.24 H new ATOM 0 HB2 PRO A 91 5.591 12.862 -2.367 1.00 65.13 H new ATOM 0 HB3 PRO A 91 5.960 12.241 -0.770 1.00 65.13 H new ATOM 0 HG2 PRO A 91 4.216 14.565 -1.542 1.00 13.22 H new ATOM 0 HG3 PRO A 91 3.945 13.342 -0.317 1.00 13.22 H new ATOM 0 HD2 PRO A 91 4.846 15.831 0.314 1.00 22.43 H new ATOM 0 HD3 PRO A 91 5.293 14.422 1.255 1.00 22.43 H new ATOM 1436 N THR A 92 8.094 14.380 -3.420 1.00 22.21 N ATOM 1437 CA THR A 92 8.312 15.025 -4.646 1.00 61.14 C ATOM 1438 C THR A 92 7.605 14.191 -5.685 1.00 33.44 C ATOM 1439 O THR A 92 7.427 12.987 -5.459 1.00 44.43 O ATOM 1440 CB THR A 92 9.819 15.011 -4.925 1.00 34.32 C ATOM 1441 OG1 THR A 92 10.532 15.559 -3.822 1.00 20.31 O ATOM 1442 CG2 THR A 92 10.159 15.797 -6.135 1.00 2.11 C ATOM 0 H THR A 92 8.679 13.560 -3.260 1.00 22.21 H new ATOM 0 HA THR A 92 7.951 16.053 -4.649 1.00 61.14 H new ATOM 0 HB THR A 92 10.104 13.971 -5.083 1.00 34.32 H new ATOM 0 HG1 THR A 92 11.274 14.965 -3.584 1.00 20.31 H new ATOM 0 HG21 THR A 92 11.236 15.763 -6.300 1.00 2.11 H new ATOM 0 HG22 THR A 92 9.646 15.375 -6.999 1.00 2.11 H new ATOM 0 HG23 THR A 92 9.845 16.832 -5.997 1.00 2.11 H new ATOM 1450 N TYR A 93 7.199 14.778 -6.796 1.00 65.11 N ATOM 1451 CA TYR A 93 6.566 13.999 -7.834 1.00 64.43 C ATOM 1452 C TYR A 93 7.522 12.922 -8.355 1.00 72.32 C ATOM 1453 O TYR A 93 7.103 11.827 -8.674 1.00 35.52 O ATOM 1454 CB TYR A 93 6.003 14.869 -8.971 1.00 62.32 C ATOM 1455 CG TYR A 93 4.831 15.760 -8.561 1.00 33.55 C ATOM 1456 CD1 TYR A 93 3.600 15.206 -8.215 1.00 53.03 C ATOM 1457 CD2 TYR A 93 4.944 17.142 -8.548 1.00 52.12 C ATOM 1458 CE1 TYR A 93 2.525 16.003 -7.868 1.00 14.32 C ATOM 1459 CE2 TYR A 93 3.875 17.944 -8.198 1.00 20.53 C ATOM 1460 CZ TYR A 93 2.668 17.373 -7.861 1.00 55.12 C ATOM 1461 OH TYR A 93 1.590 18.183 -7.519 1.00 2.22 O ATOM 0 H TYR A 93 7.295 15.773 -6.997 1.00 65.11 H new ATOM 0 HA TYR A 93 5.704 13.502 -7.388 1.00 64.43 H new ATOM 0 HB2 TYR A 93 6.803 15.498 -9.361 1.00 62.32 H new ATOM 0 HB3 TYR A 93 5.682 14.219 -9.785 1.00 62.32 H new ATOM 0 HD1 TYR A 93 3.483 14.132 -8.218 1.00 53.03 H new ATOM 0 HD2 TYR A 93 5.885 17.600 -8.816 1.00 52.12 H new ATOM 0 HE1 TYR A 93 1.579 15.554 -7.604 1.00 14.32 H new ATOM 0 HE2 TYR A 93 3.986 19.018 -8.189 1.00 20.53 H new ATOM 0 HH TYR A 93 1.861 19.124 -7.563 1.00 2.22 H new ATOM 1471 N GLU A 94 8.817 13.238 -8.376 1.00 60.31 N ATOM 1472 CA GLU A 94 9.835 12.295 -8.781 1.00 50.23 C ATOM 1473 C GLU A 94 9.888 11.107 -7.806 1.00 35.10 C ATOM 1474 O GLU A 94 9.865 9.949 -8.221 1.00 55.44 O ATOM 1475 CB GLU A 94 11.185 12.978 -8.806 1.00 32.52 C ATOM 1476 CG GLU A 94 12.298 12.058 -9.212 1.00 51.14 C ATOM 1477 CD GLU A 94 13.637 12.697 -9.101 1.00 30.44 C ATOM 1478 OE1 GLU A 94 14.062 13.382 -10.042 1.00 33.12 O ATOM 1479 OE2 GLU A 94 14.289 12.540 -8.048 1.00 53.40 O ATOM 0 H GLU A 94 9.179 14.154 -8.112 1.00 60.31 H new ATOM 0 HA GLU A 94 9.588 11.928 -9.777 1.00 50.23 H new ATOM 0 HB2 GLU A 94 11.147 13.821 -9.496 1.00 32.52 H new ATOM 0 HB3 GLU A 94 11.399 13.385 -7.818 1.00 32.52 H new ATOM 0 HG2 GLU A 94 12.273 11.165 -8.587 1.00 51.14 H new ATOM 0 HG3 GLU A 94 12.139 11.732 -10.240 1.00 51.14 H new ATOM 1486 N ASN A 95 9.959 11.414 -6.505 1.00 71.20 N ATOM 1487 CA ASN A 95 9.999 10.382 -5.468 1.00 20.21 C ATOM 1488 C ASN A 95 8.768 9.537 -5.520 1.00 30.34 C ATOM 1489 O ASN A 95 8.836 8.315 -5.352 1.00 70.24 O ATOM 1490 CB ASN A 95 10.147 10.984 -4.071 1.00 25.12 C ATOM 1491 CG ASN A 95 11.481 11.647 -3.852 1.00 52.24 C ATOM 1492 OD1 ASN A 95 11.651 12.819 -4.119 1.00 51.45 O ATOM 1493 ND2 ASN A 95 12.420 10.910 -3.353 1.00 15.54 N ATOM 0 H ASN A 95 9.990 12.369 -6.148 1.00 71.20 H new ATOM 0 HA ASN A 95 10.874 9.763 -5.666 1.00 20.21 H new ATOM 0 HB2 ASN A 95 9.354 11.715 -3.911 1.00 25.12 H new ATOM 0 HB3 ASN A 95 10.012 10.199 -3.327 1.00 25.12 H new ATOM 0 HD21 ASN A 95 13.340 11.310 -3.171 1.00 15.54 H new ATOM 0 HD22 ASN A 95 12.240 9.929 -3.141 1.00 15.54 H new ATOM 1500 N LEU A 96 7.643 10.191 -5.754 1.00 52.51 N ATOM 1501 CA LEU A 96 6.377 9.517 -5.887 1.00 52.40 C ATOM 1502 C LEU A 96 6.449 8.471 -7.021 1.00 64.44 C ATOM 1503 O LEU A 96 6.138 7.305 -6.802 1.00 63.44 O ATOM 1504 CB LEU A 96 5.277 10.549 -6.142 1.00 44.01 C ATOM 1505 CG LEU A 96 3.840 10.042 -6.234 1.00 22.42 C ATOM 1506 CD1 LEU A 96 3.417 9.367 -4.935 1.00 11.13 C ATOM 1507 CD2 LEU A 96 2.915 11.202 -6.550 1.00 14.03 C ATOM 0 H LEU A 96 7.589 11.204 -5.856 1.00 52.51 H new ATOM 0 HA LEU A 96 6.141 8.986 -4.965 1.00 52.40 H new ATOM 0 HB2 LEU A 96 5.321 11.291 -5.345 1.00 44.01 H new ATOM 0 HB3 LEU A 96 5.511 11.066 -7.072 1.00 44.01 H new ATOM 0 HG LEU A 96 3.779 9.302 -7.032 1.00 22.42 H new ATOM 0 HD11 LEU A 96 2.390 9.015 -5.026 1.00 11.13 H new ATOM 0 HD12 LEU A 96 4.074 8.521 -4.734 1.00 11.13 H new ATOM 0 HD13 LEU A 96 3.484 10.082 -4.115 1.00 11.13 H new ATOM 0 HD21 LEU A 96 1.889 10.841 -6.616 1.00 14.03 H new ATOM 0 HD22 LEU A 96 2.987 11.950 -5.760 1.00 14.03 H new ATOM 0 HD23 LEU A 96 3.204 11.649 -7.501 1.00 14.03 H new ATOM 1519 N GLN A 97 6.927 8.888 -8.204 1.00 74.41 N ATOM 1520 CA GLN A 97 7.080 7.980 -9.350 1.00 52.04 C ATOM 1521 C GLN A 97 7.932 6.793 -8.963 1.00 33.12 C ATOM 1522 O GLN A 97 7.536 5.643 -9.141 1.00 52.12 O ATOM 1523 CB GLN A 97 7.786 8.695 -10.502 1.00 45.24 C ATOM 1524 CG GLN A 97 7.086 9.913 -11.029 1.00 32.11 C ATOM 1525 CD GLN A 97 7.896 10.651 -12.075 1.00 61.04 C ATOM 1526 OE1 GLN A 97 9.129 10.634 -12.054 1.00 44.32 O ATOM 1527 NE2 GLN A 97 7.221 11.299 -12.990 1.00 74.23 N ATOM 0 H GLN A 97 7.214 9.849 -8.391 1.00 74.41 H new ATOM 0 HA GLN A 97 6.085 7.656 -9.655 1.00 52.04 H new ATOM 0 HB2 GLN A 97 8.783 8.985 -10.171 1.00 45.24 H new ATOM 0 HB3 GLN A 97 7.915 7.988 -11.321 1.00 45.24 H new ATOM 0 HG2 GLN A 97 6.129 9.618 -11.459 1.00 32.11 H new ATOM 0 HG3 GLN A 97 6.869 10.588 -10.201 1.00 32.11 H new ATOM 0 HE21 GLN A 97 6.201 11.289 -12.974 1.00 74.23 H new ATOM 0 HE22 GLN A 97 7.715 11.814 -13.719 1.00 74.23 H new ATOM 1536 N LYS A 98 9.080 7.094 -8.385 1.00 24.34 N ATOM 1537 CA LYS A 98 10.058 6.089 -8.009 1.00 22.33 C ATOM 1538 C LYS A 98 9.496 5.024 -7.079 1.00 42.22 C ATOM 1539 O LYS A 98 9.754 3.823 -7.278 1.00 52.25 O ATOM 1540 CB LYS A 98 11.322 6.730 -7.432 1.00 11.52 C ATOM 1541 CG LYS A 98 12.062 7.576 -8.442 1.00 72.43 C ATOM 1542 CD LYS A 98 13.347 8.150 -7.887 1.00 54.14 C ATOM 1543 CE LYS A 98 14.104 8.905 -8.974 1.00 24.30 C ATOM 1544 NZ LYS A 98 15.406 9.412 -8.504 1.00 70.02 N ATOM 0 H LYS A 98 9.362 8.048 -8.162 1.00 24.34 H new ATOM 0 HA LYS A 98 10.331 5.571 -8.928 1.00 22.33 H new ATOM 0 HB2 LYS A 98 11.052 7.348 -6.575 1.00 11.52 H new ATOM 0 HB3 LYS A 98 11.986 5.947 -7.064 1.00 11.52 H new ATOM 0 HG2 LYS A 98 12.287 6.972 -9.321 1.00 72.43 H new ATOM 0 HG3 LYS A 98 11.417 8.390 -8.771 1.00 72.43 H new ATOM 0 HD2 LYS A 98 13.125 8.821 -7.057 1.00 54.14 H new ATOM 0 HD3 LYS A 98 13.970 7.348 -7.491 1.00 54.14 H new ATOM 0 HE2 LYS A 98 14.261 8.246 -9.828 1.00 24.30 H new ATOM 0 HE3 LYS A 98 13.496 9.740 -9.323 1.00 24.30 H new ATOM 0 HZ1 LYS A 98 16.113 9.305 -9.259 1.00 70.02 H new ATOM 0 HZ2 LYS A 98 15.317 10.417 -8.252 1.00 70.02 H new ATOM 0 HZ3 LYS A 98 15.708 8.871 -7.668 1.00 70.02 H new ATOM 1558 N SER A 99 8.719 5.445 -6.097 1.00 61.21 N ATOM 1559 CA SER A 99 8.117 4.519 -5.168 1.00 52.11 C ATOM 1560 C SER A 99 7.086 3.598 -5.884 1.00 63.30 C ATOM 1561 O SER A 99 7.095 2.377 -5.695 1.00 61.11 O ATOM 1562 CB SER A 99 7.520 5.279 -3.968 1.00 65.24 C ATOM 1563 OG SER A 99 6.537 6.229 -4.347 1.00 75.41 O ATOM 0 H SER A 99 8.493 6.425 -5.926 1.00 61.21 H new ATOM 0 HA SER A 99 8.888 3.857 -4.772 1.00 52.11 H new ATOM 0 HB2 SER A 99 7.077 4.563 -3.275 1.00 65.24 H new ATOM 0 HB3 SER A 99 8.321 5.788 -3.432 1.00 65.24 H new ATOM 0 HG SER A 99 6.591 6.388 -5.313 1.00 75.41 H new ATOM 1569 N LEU A 100 6.244 4.190 -6.746 1.00 54.20 N ATOM 1570 CA LEU A 100 5.248 3.446 -7.537 1.00 63.01 C ATOM 1571 C LEU A 100 5.924 2.446 -8.479 1.00 43.44 C ATOM 1572 O LEU A 100 5.442 1.327 -8.645 1.00 51.44 O ATOM 1573 CB LEU A 100 4.369 4.443 -8.340 1.00 0.30 C ATOM 1574 CG LEU A 100 3.210 5.182 -7.608 1.00 21.35 C ATOM 1575 CD1 LEU A 100 2.030 4.266 -7.433 1.00 23.54 C ATOM 1576 CD2 LEU A 100 3.620 5.716 -6.245 1.00 0.24 C ATOM 0 H LEU A 100 6.234 5.196 -6.915 1.00 54.20 H new ATOM 0 HA LEU A 100 4.615 2.879 -6.854 1.00 63.01 H new ATOM 0 HB2 LEU A 100 5.030 5.201 -8.760 1.00 0.30 H new ATOM 0 HB3 LEU A 100 3.935 3.898 -9.179 1.00 0.30 H new ATOM 0 HG LEU A 100 2.944 6.031 -8.238 1.00 21.35 H new ATOM 0 HD11 LEU A 100 1.229 4.798 -6.920 1.00 23.54 H new ATOM 0 HD12 LEU A 100 1.678 3.935 -8.410 1.00 23.54 H new ATOM 0 HD13 LEU A 100 2.327 3.399 -6.842 1.00 23.54 H new ATOM 0 HD21 LEU A 100 2.772 6.221 -5.782 1.00 0.24 H new ATOM 0 HD22 LEU A 100 3.940 4.889 -5.611 1.00 0.24 H new ATOM 0 HD23 LEU A 100 4.442 6.422 -6.363 1.00 0.24 H new ATOM 1588 N GLU A 101 7.044 2.844 -9.081 1.00 52.02 N ATOM 1589 CA GLU A 101 7.787 1.961 -9.998 1.00 74.35 C ATOM 1590 C GLU A 101 8.259 0.735 -9.282 1.00 22.14 C ATOM 1591 O GLU A 101 8.040 -0.398 -9.732 1.00 61.42 O ATOM 1592 CB GLU A 101 9.014 2.642 -10.537 1.00 4.44 C ATOM 1593 CG GLU A 101 8.767 3.898 -11.273 1.00 73.23 C ATOM 1594 CD GLU A 101 10.032 4.419 -11.870 1.00 2.11 C ATOM 1595 OE1 GLU A 101 10.890 4.912 -11.123 1.00 51.11 O ATOM 1596 OE2 GLU A 101 10.206 4.286 -13.105 1.00 52.41 O ATOM 0 H GLU A 101 7.461 3.767 -8.955 1.00 52.02 H new ATOM 0 HA GLU A 101 7.102 1.707 -10.807 1.00 74.35 H new ATOM 0 HB2 GLU A 101 9.687 2.854 -9.706 1.00 4.44 H new ATOM 0 HB3 GLU A 101 9.533 1.949 -11.199 1.00 4.44 H new ATOM 0 HG2 GLU A 101 8.032 3.726 -12.059 1.00 73.23 H new ATOM 0 HG3 GLU A 101 8.344 4.643 -10.599 1.00 73.23 H new ATOM 1603 N ALA A 102 8.910 0.977 -8.174 1.00 34.51 N ATOM 1604 CA ALA A 102 9.454 -0.076 -7.324 1.00 55.34 C ATOM 1605 C ALA A 102 8.349 -1.016 -6.891 1.00 74.54 C ATOM 1606 O ALA A 102 8.495 -2.252 -6.919 1.00 65.12 O ATOM 1607 CB ALA A 102 10.130 0.537 -6.110 1.00 72.23 C ATOM 0 H ALA A 102 9.085 1.919 -7.823 1.00 34.51 H new ATOM 0 HA ALA A 102 10.193 -0.643 -7.889 1.00 55.34 H new ATOM 0 HB1 ALA A 102 10.534 -0.255 -5.480 1.00 72.23 H new ATOM 0 HB2 ALA A 102 10.940 1.190 -6.435 1.00 72.23 H new ATOM 0 HB3 ALA A 102 9.402 1.117 -5.542 1.00 72.23 H new ATOM 1613 N MET A 103 7.233 -0.423 -6.526 1.00 14.23 N ATOM 1614 CA MET A 103 6.079 -1.138 -6.116 1.00 2.31 C ATOM 1615 C MET A 103 5.519 -2.032 -7.237 1.00 13.33 C ATOM 1616 O MET A 103 5.074 -3.152 -6.963 1.00 21.43 O ATOM 1617 CB MET A 103 5.051 -0.172 -5.533 1.00 1.32 C ATOM 1618 CG MET A 103 3.738 -0.802 -5.202 1.00 62.23 C ATOM 1619 SD MET A 103 2.666 0.234 -4.202 1.00 21.24 S ATOM 1620 CE MET A 103 2.377 1.594 -5.306 1.00 64.04 C ATOM 0 H MET A 103 7.116 0.590 -6.511 1.00 14.23 H new ATOM 0 HA MET A 103 6.358 -1.832 -5.323 1.00 2.31 H new ATOM 0 HB2 MET A 103 5.463 0.278 -4.630 1.00 1.32 H new ATOM 0 HB3 MET A 103 4.884 0.637 -6.245 1.00 1.32 H new ATOM 0 HG2 MET A 103 3.223 -1.053 -6.129 1.00 62.23 H new ATOM 0 HG3 MET A 103 3.918 -1.738 -4.674 1.00 62.23 H new ATOM 0 HE1 MET A 103 1.304 1.734 -5.437 1.00 64.04 H new ATOM 0 HE2 MET A 103 2.813 2.501 -4.888 1.00 64.04 H new ATOM 0 HE3 MET A 103 2.836 1.383 -6.272 1.00 64.04 H new ATOM 1630 N LYS A 104 5.570 -1.559 -8.498 1.00 41.34 N ATOM 1631 CA LYS A 104 5.143 -2.377 -9.621 1.00 61.41 C ATOM 1632 C LYS A 104 5.974 -3.624 -9.716 1.00 11.33 C ATOM 1633 O LYS A 104 5.453 -4.729 -9.710 1.00 34.45 O ATOM 1634 CB LYS A 104 5.366 -1.671 -10.937 1.00 42.10 C ATOM 1635 CG LYS A 104 4.574 -0.459 -11.155 1.00 14.41 C ATOM 1636 CD LYS A 104 4.576 -0.068 -12.622 1.00 22.03 C ATOM 1637 CE LYS A 104 5.943 0.419 -13.200 1.00 13.43 C ATOM 1638 NZ LYS A 104 7.011 -0.631 -13.286 1.00 35.42 N ATOM 0 H LYS A 104 5.899 -0.627 -8.750 1.00 41.34 H new ATOM 0 HA LYS A 104 4.088 -2.589 -9.449 1.00 61.41 H new ATOM 0 HB2 LYS A 104 6.422 -1.410 -11.013 1.00 42.10 H new ATOM 0 HB3 LYS A 104 5.152 -2.372 -11.744 1.00 42.10 H new ATOM 0 HG2 LYS A 104 3.550 -0.624 -10.820 1.00 14.41 H new ATOM 0 HG3 LYS A 104 4.978 0.357 -10.556 1.00 14.41 H new ATOM 0 HD2 LYS A 104 4.242 -0.925 -13.206 1.00 22.03 H new ATOM 0 HD3 LYS A 104 3.840 0.723 -12.768 1.00 22.03 H new ATOM 0 HE2 LYS A 104 5.774 0.825 -14.197 1.00 13.43 H new ATOM 0 HE3 LYS A 104 6.310 1.238 -12.581 1.00 13.43 H new ATOM 0 HZ1 LYS A 104 7.551 -0.506 -14.166 1.00 35.42 H new ATOM 0 HZ2 LYS A 104 7.651 -0.542 -12.471 1.00 35.42 H new ATOM 0 HZ3 LYS A 104 6.572 -1.574 -13.280 1.00 35.42 H new ATOM 1652 N SER A 105 7.287 -3.420 -9.734 1.00 4.42 N ATOM 1653 CA SER A 105 8.247 -4.477 -9.966 1.00 12.04 C ATOM 1654 C SER A 105 8.084 -5.600 -8.965 1.00 75.31 C ATOM 1655 O SER A 105 8.090 -6.786 -9.335 1.00 11.12 O ATOM 1656 CB SER A 105 9.672 -3.914 -9.914 1.00 25.22 C ATOM 1657 OG SER A 105 10.629 -4.907 -10.237 1.00 40.45 O ATOM 0 H SER A 105 7.712 -2.505 -9.586 1.00 4.42 H new ATOM 0 HA SER A 105 8.064 -4.889 -10.958 1.00 12.04 H new ATOM 0 HB2 SER A 105 9.761 -3.080 -10.610 1.00 25.22 H new ATOM 0 HB3 SER A 105 9.874 -3.521 -8.918 1.00 25.22 H new ATOM 0 HG SER A 105 11.528 -4.520 -10.197 1.00 40.45 H new ATOM 1663 N HIS A 106 7.892 -5.242 -7.711 1.00 12.44 N ATOM 1664 CA HIS A 106 7.768 -6.234 -6.688 1.00 30.12 C ATOM 1665 C HIS A 106 6.488 -7.034 -6.837 1.00 52.23 C ATOM 1666 O HIS A 106 6.474 -8.251 -6.577 1.00 24.00 O ATOM 1667 CB HIS A 106 7.835 -5.639 -5.304 1.00 53.33 C ATOM 1668 CG HIS A 106 7.837 -6.708 -4.287 1.00 72.21 C ATOM 1669 ND1 HIS A 106 6.834 -6.900 -3.387 1.00 63.01 N ATOM 1670 CD2 HIS A 106 8.724 -7.664 -4.065 1.00 33.14 C ATOM 1671 CE1 HIS A 106 7.099 -7.921 -2.642 1.00 42.21 C ATOM 1672 NE2 HIS A 106 8.253 -8.410 -3.022 1.00 23.43 N ATOM 0 H HIS A 106 7.820 -4.277 -7.388 1.00 12.44 H new ATOM 0 HA HIS A 106 8.619 -6.903 -6.813 1.00 30.12 H new ATOM 0 HB2 HIS A 106 8.735 -5.032 -5.205 1.00 53.33 H new ATOM 0 HB3 HIS A 106 6.984 -4.977 -5.144 1.00 53.33 H new ATOM 0 HD1 HIS A 106 5.997 -6.323 -3.312 1.00 63.01 H new ATOM 0 HD2 HIS A 106 9.645 -7.824 -4.605 1.00 33.14 H new ATOM 0 HE1 HIS A 106 6.478 -8.304 -1.846 1.00 42.21 H new ATOM 1681 N CYS A 107 5.433 -6.374 -7.232 1.00 3.20 N ATOM 1682 CA CYS A 107 4.173 -7.031 -7.416 1.00 64.43 C ATOM 1683 C CYS A 107 4.287 -8.098 -8.490 1.00 44.22 C ATOM 1684 O CYS A 107 3.843 -9.220 -8.291 1.00 72.31 O ATOM 1685 CB CYS A 107 3.084 -6.023 -7.714 1.00 34.31 C ATOM 1686 SG CYS A 107 2.764 -4.873 -6.361 1.00 11.43 S ATOM 0 H CYS A 107 5.425 -5.374 -7.433 1.00 3.20 H new ATOM 0 HA CYS A 107 3.893 -7.534 -6.491 1.00 64.43 H new ATOM 0 HB2 CYS A 107 3.361 -5.456 -8.603 1.00 34.31 H new ATOM 0 HB3 CYS A 107 2.163 -6.556 -7.950 1.00 34.31 H new ATOM 0 HG CYS A 107 3.748 -4.029 -6.267 1.00 11.43 H new ATOM 1692 N LEU A 108 4.934 -7.759 -9.594 1.00 65.11 N ATOM 1693 CA LEU A 108 5.214 -8.710 -10.657 1.00 51.55 C ATOM 1694 C LEU A 108 6.001 -9.910 -10.158 1.00 63.24 C ATOM 1695 O LEU A 108 5.701 -11.044 -10.538 1.00 51.44 O ATOM 1696 CB LEU A 108 5.985 -8.057 -11.794 1.00 74.11 C ATOM 1697 CG LEU A 108 5.213 -7.212 -12.812 1.00 32.54 C ATOM 1698 CD1 LEU A 108 4.423 -6.094 -12.178 1.00 0.40 C ATOM 1699 CD2 LEU A 108 6.180 -6.665 -13.813 1.00 63.53 C ATOM 0 H LEU A 108 5.279 -6.817 -9.778 1.00 65.11 H new ATOM 0 HA LEU A 108 4.245 -9.052 -11.021 1.00 51.55 H new ATOM 0 HB2 LEU A 108 6.753 -7.423 -11.352 1.00 74.11 H new ATOM 0 HB3 LEU A 108 6.500 -8.847 -12.341 1.00 74.11 H new ATOM 0 HG LEU A 108 4.482 -7.859 -13.296 1.00 32.54 H new ATOM 0 HD11 LEU A 108 3.899 -5.534 -12.953 1.00 0.40 H new ATOM 0 HD12 LEU A 108 3.698 -6.512 -11.479 1.00 0.40 H new ATOM 0 HD13 LEU A 108 5.100 -5.428 -11.643 1.00 0.40 H new ATOM 0 HD21 LEU A 108 5.644 -6.061 -14.545 1.00 63.53 H new ATOM 0 HD22 LEU A 108 6.920 -6.047 -13.304 1.00 63.53 H new ATOM 0 HD23 LEU A 108 6.683 -7.488 -14.321 1.00 63.53 H new ATOM 1711 N LYS A 109 6.993 -9.677 -9.277 1.00 43.13 N ATOM 1712 CA LYS A 109 7.839 -10.774 -8.782 1.00 23.14 C ATOM 1713 C LYS A 109 7.051 -11.769 -7.959 1.00 63.13 C ATOM 1714 O LYS A 109 7.446 -12.914 -7.794 1.00 50.01 O ATOM 1715 CB LYS A 109 8.985 -10.221 -7.951 1.00 64.14 C ATOM 1716 CG LYS A 109 9.835 -9.273 -8.724 1.00 64.44 C ATOM 1717 CD LYS A 109 11.049 -8.816 -7.938 1.00 33.40 C ATOM 1718 CE LYS A 109 11.911 -7.880 -8.771 1.00 63.01 C ATOM 1719 NZ LYS A 109 13.116 -7.438 -8.042 1.00 42.14 N ATOM 0 H LYS A 109 7.224 -8.757 -8.901 1.00 43.13 H new ATOM 0 HA LYS A 109 8.234 -11.296 -9.654 1.00 23.14 H new ATOM 0 HB2 LYS A 109 8.584 -9.714 -7.074 1.00 64.14 H new ATOM 0 HB3 LYS A 109 9.600 -11.045 -7.589 1.00 64.14 H new ATOM 0 HG2 LYS A 109 10.162 -9.751 -9.647 1.00 64.44 H new ATOM 0 HG3 LYS A 109 9.241 -8.404 -9.008 1.00 64.44 H new ATOM 0 HD2 LYS A 109 10.729 -8.309 -7.028 1.00 33.40 H new ATOM 0 HD3 LYS A 109 11.636 -9.682 -7.631 1.00 33.40 H new ATOM 0 HE2 LYS A 109 12.209 -8.384 -9.690 1.00 63.01 H new ATOM 0 HE3 LYS A 109 11.324 -7.009 -9.061 1.00 63.01 H new ATOM 0 HZ1 LYS A 109 13.674 -6.802 -8.647 1.00 42.14 H new ATOM 0 HZ2 LYS A 109 12.833 -6.934 -7.177 1.00 42.14 H new ATOM 0 HZ3 LYS A 109 13.691 -8.266 -7.787 1.00 42.14 H new ATOM 1733 N ASN A 110 5.952 -11.325 -7.455 1.00 14.41 N ATOM 1734 CA ASN A 110 5.128 -12.152 -6.568 1.00 74.32 C ATOM 1735 C ASN A 110 3.766 -12.489 -7.145 1.00 31.51 C ATOM 1736 O ASN A 110 2.959 -13.158 -6.494 1.00 53.21 O ATOM 1737 CB ASN A 110 5.002 -11.492 -5.200 1.00 64.24 C ATOM 1738 CG ASN A 110 6.329 -11.436 -4.487 1.00 0.12 C ATOM 1739 OD1 ASN A 110 6.678 -12.323 -3.710 1.00 41.24 O ATOM 1740 ND2 ASN A 110 7.094 -10.425 -4.769 1.00 15.23 N ATOM 0 H ASN A 110 5.580 -10.391 -7.629 1.00 14.41 H new ATOM 0 HA ASN A 110 5.643 -13.106 -6.460 1.00 74.32 H new ATOM 0 HB2 ASN A 110 4.608 -10.482 -5.317 1.00 64.24 H new ATOM 0 HB3 ASN A 110 4.285 -12.045 -4.593 1.00 64.24 H new ATOM 0 HD21 ASN A 110 8.017 -10.349 -4.341 1.00 15.23 H new ATOM 0 HD22 ASN A 110 6.772 -9.707 -5.418 1.00 15.23 H new ATOM 1747 N GLY A 111 3.508 -12.041 -8.358 1.00 3.34 N ATOM 1748 CA GLY A 111 2.237 -12.326 -9.003 1.00 5.02 C ATOM 1749 C GLY A 111 1.087 -11.504 -8.430 1.00 11.23 C ATOM 1750 O GLY A 111 -0.077 -11.921 -8.481 1.00 20.45 O ATOM 0 H GLY A 111 4.155 -11.482 -8.915 1.00 3.34 H new ATOM 0 HA2 GLY A 111 2.324 -12.126 -10.071 1.00 5.02 H new ATOM 0 HA3 GLY A 111 2.009 -13.386 -8.895 1.00 5.02 H new ATOM 1754 N VAL A 112 1.408 -10.350 -7.902 1.00 33.20 N ATOM 1755 CA VAL A 112 0.427 -9.460 -7.321 1.00 71.01 C ATOM 1756 C VAL A 112 -0.103 -8.547 -8.411 1.00 21.55 C ATOM 1757 O VAL A 112 0.673 -7.993 -9.197 1.00 64.14 O ATOM 1758 CB VAL A 112 1.044 -8.613 -6.168 1.00 64.04 C ATOM 1759 CG1 VAL A 112 0.014 -7.674 -5.544 1.00 74.34 C ATOM 1760 CG2 VAL A 112 1.643 -9.518 -5.108 1.00 51.21 C ATOM 0 H VAL A 112 2.364 -9.996 -7.861 1.00 33.20 H new ATOM 0 HA VAL A 112 -0.383 -10.052 -6.896 1.00 71.01 H new ATOM 0 HB VAL A 112 1.835 -7.998 -6.598 1.00 64.04 H new ATOM 0 HG11 VAL A 112 0.482 -7.100 -4.744 1.00 74.34 H new ATOM 0 HG12 VAL A 112 -0.365 -6.992 -6.305 1.00 74.34 H new ATOM 0 HG13 VAL A 112 -0.811 -8.258 -5.137 1.00 74.34 H new ATOM 0 HG21 VAL A 112 2.070 -8.911 -4.310 1.00 51.21 H new ATOM 0 HG22 VAL A 112 0.865 -10.162 -4.698 1.00 51.21 H new ATOM 0 HG23 VAL A 112 2.425 -10.133 -5.554 1.00 51.21 H new ATOM 1770 N THR A 113 -1.394 -8.416 -8.482 1.00 25.22 N ATOM 1771 CA THR A 113 -2.007 -7.616 -9.510 1.00 11.22 C ATOM 1772 C THR A 113 -3.190 -6.823 -8.939 1.00 35.10 C ATOM 1773 O THR A 113 -3.756 -5.990 -9.603 1.00 31.13 O ATOM 1774 CB THR A 113 -2.450 -8.524 -10.701 1.00 51.33 C ATOM 1775 OG1 THR A 113 -2.946 -7.755 -11.788 1.00 63.31 O ATOM 1776 CG2 THR A 113 -3.508 -9.520 -10.267 1.00 65.53 C ATOM 0 H THR A 113 -2.051 -8.855 -7.837 1.00 25.22 H new ATOM 0 HA THR A 113 -1.278 -6.897 -9.885 1.00 11.22 H new ATOM 0 HB THR A 113 -1.563 -9.065 -11.031 1.00 51.33 H new ATOM 0 HG1 THR A 113 -2.212 -7.546 -12.403 1.00 63.31 H new ATOM 0 HG21 THR A 113 -3.797 -10.138 -11.117 1.00 65.53 H new ATOM 0 HG22 THR A 113 -3.108 -10.155 -9.476 1.00 65.53 H new ATOM 0 HG23 THR A 113 -4.381 -8.984 -9.895 1.00 65.53 H new ATOM 1784 N ASP A 114 -3.538 -7.074 -7.707 1.00 24.35 N ATOM 1785 CA ASP A 114 -4.600 -6.320 -7.069 1.00 5.30 C ATOM 1786 C ASP A 114 -4.005 -5.653 -5.863 1.00 71.01 C ATOM 1787 O ASP A 114 -3.413 -6.321 -5.000 1.00 12.13 O ATOM 1788 CB ASP A 114 -5.794 -7.214 -6.671 1.00 71.42 C ATOM 1789 CG ASP A 114 -6.431 -7.948 -7.838 1.00 44.32 C ATOM 1790 OD1 ASP A 114 -6.003 -9.077 -8.147 1.00 13.10 O ATOM 1791 OD2 ASP A 114 -7.378 -7.425 -8.460 1.00 12.22 O ATOM 0 H ASP A 114 -3.109 -7.790 -7.121 1.00 24.35 H new ATOM 0 HA ASP A 114 -4.999 -5.584 -7.767 1.00 5.30 H new ATOM 0 HB2 ASP A 114 -5.458 -7.945 -5.935 1.00 71.42 H new ATOM 0 HB3 ASP A 114 -6.551 -6.597 -6.186 1.00 71.42 H new ATOM 1796 N LEU A 115 -4.105 -4.366 -5.797 1.00 41.35 N ATOM 1797 CA LEU A 115 -3.466 -3.637 -4.749 1.00 70.15 C ATOM 1798 C LEU A 115 -4.392 -2.537 -4.259 1.00 25.44 C ATOM 1799 O LEU A 115 -5.120 -1.947 -5.046 1.00 23.51 O ATOM 1800 CB LEU A 115 -2.182 -3.039 -5.299 1.00 0.24 C ATOM 1801 CG LEU A 115 -1.249 -2.403 -4.291 1.00 54.22 C ATOM 1802 CD1 LEU A 115 -0.627 -3.450 -3.392 1.00 5.22 C ATOM 1803 CD2 LEU A 115 -0.204 -1.558 -4.981 1.00 42.14 C ATOM 0 H LEU A 115 -4.627 -3.794 -6.461 1.00 41.35 H new ATOM 0 HA LEU A 115 -3.236 -4.295 -3.911 1.00 70.15 H new ATOM 0 HB2 LEU A 115 -1.636 -3.824 -5.822 1.00 0.24 H new ATOM 0 HB3 LEU A 115 -2.447 -2.286 -6.042 1.00 0.24 H new ATOM 0 HG LEU A 115 -1.834 -1.738 -3.655 1.00 54.22 H new ATOM 0 HD11 LEU A 115 0.039 -2.967 -2.677 1.00 5.22 H new ATOM 0 HD12 LEU A 115 -1.413 -3.981 -2.854 1.00 5.22 H new ATOM 0 HD13 LEU A 115 -0.059 -4.157 -3.996 1.00 5.22 H new ATOM 0 HD21 LEU A 115 0.454 -1.112 -4.235 1.00 42.14 H new ATOM 0 HD22 LEU A 115 0.382 -2.183 -5.655 1.00 42.14 H new ATOM 0 HD23 LEU A 115 -0.693 -0.769 -5.552 1.00 42.14 H new ATOM 1815 N SER A 116 -4.357 -2.254 -2.977 1.00 12.51 N ATOM 1816 CA SER A 116 -5.237 -1.275 -2.403 1.00 73.01 C ATOM 1817 C SER A 116 -4.516 -0.329 -1.421 1.00 41.23 C ATOM 1818 O SER A 116 -3.506 -0.697 -0.787 1.00 72.12 O ATOM 1819 CB SER A 116 -6.419 -1.980 -1.733 1.00 71.12 C ATOM 1820 OG SER A 116 -5.988 -2.948 -0.790 1.00 1.35 O ATOM 0 H SER A 116 -3.722 -2.694 -2.312 1.00 12.51 H new ATOM 0 HA SER A 116 -5.606 -0.642 -3.210 1.00 73.01 H new ATOM 0 HB2 SER A 116 -7.048 -1.242 -1.235 1.00 71.12 H new ATOM 0 HB3 SER A 116 -7.034 -2.462 -2.493 1.00 71.12 H new ATOM 0 HG SER A 116 -5.028 -3.109 -0.902 1.00 1.35 H new ATOM 1826 N MET A 117 -5.021 0.888 -1.333 1.00 12.34 N ATOM 1827 CA MET A 117 -4.514 1.907 -0.428 1.00 2.40 C ATOM 1828 C MET A 117 -5.635 2.899 -0.116 1.00 22.40 C ATOM 1829 O MET A 117 -6.541 3.063 -0.916 1.00 75.45 O ATOM 1830 CB MET A 117 -3.290 2.664 -1.027 1.00 61.54 C ATOM 1831 CG MET A 117 -3.547 3.406 -2.353 1.00 22.30 C ATOM 1832 SD MET A 117 -3.861 2.321 -3.757 1.00 22.44 S ATOM 1833 CE MET A 117 -2.311 1.418 -3.860 1.00 45.44 C ATOM 0 H MET A 117 -5.809 1.203 -1.898 1.00 12.34 H new ATOM 0 HA MET A 117 -4.177 1.414 0.484 1.00 2.40 H new ATOM 0 HB2 MET A 117 -2.937 3.386 -0.291 1.00 61.54 H new ATOM 0 HB3 MET A 117 -2.484 1.947 -1.183 1.00 61.54 H new ATOM 0 HG2 MET A 117 -4.400 4.072 -2.224 1.00 22.30 H new ATOM 0 HG3 MET A 117 -2.685 4.033 -2.579 1.00 22.30 H new ATOM 0 HE1 MET A 117 -2.241 0.925 -4.830 1.00 45.44 H new ATOM 0 HE2 MET A 117 -1.478 2.111 -3.744 1.00 45.44 H new ATOM 0 HE3 MET A 117 -2.273 0.669 -3.069 1.00 45.44 H new ATOM 1843 N PRO A 118 -5.619 3.545 1.063 1.00 1.01 N ATOM 1844 CA PRO A 118 -6.644 4.539 1.415 1.00 3.32 C ATOM 1845 C PRO A 118 -6.376 5.894 0.751 1.00 25.40 C ATOM 1846 O PRO A 118 -7.297 6.591 0.325 1.00 3.53 O ATOM 1847 CB PRO A 118 -6.494 4.655 2.930 1.00 22.42 C ATOM 1848 CG PRO A 118 -5.052 4.388 3.172 1.00 51.13 C ATOM 1849 CD PRO A 118 -4.644 3.348 2.156 1.00 70.32 C ATOM 0 HA PRO A 118 -7.641 4.247 1.086 1.00 3.32 H new ATOM 0 HB2 PRO A 118 -6.781 5.645 3.285 1.00 22.42 H new ATOM 0 HB3 PRO A 118 -7.126 3.935 3.450 1.00 22.42 H new ATOM 0 HG2 PRO A 118 -4.462 5.298 3.057 1.00 51.13 H new ATOM 0 HG3 PRO A 118 -4.887 4.027 4.187 1.00 51.13 H new ATOM 0 HD2 PRO A 118 -3.620 3.498 1.814 1.00 70.32 H new ATOM 0 HD3 PRO A 118 -4.698 2.340 2.567 1.00 70.32 H new ATOM 1857 N ARG A 119 -5.099 6.240 0.689 1.00 13.32 N ATOM 1858 CA ARG A 119 -4.596 7.459 0.118 1.00 5.30 C ATOM 1859 C ARG A 119 -3.098 7.437 0.315 1.00 51.11 C ATOM 1860 O ARG A 119 -2.614 6.936 1.340 1.00 13.43 O ATOM 1861 CB ARG A 119 -5.196 8.687 0.819 1.00 45.23 C ATOM 1862 CG ARG A 119 -4.803 10.009 0.195 1.00 35.52 C ATOM 1863 CD ARG A 119 -5.468 11.166 0.903 1.00 71.22 C ATOM 1864 NE ARG A 119 -5.166 12.441 0.258 1.00 61.51 N ATOM 1865 CZ ARG A 119 -5.972 13.514 0.285 1.00 62.31 C ATOM 1866 NH1 ARG A 119 -7.115 13.479 0.974 1.00 72.23 N ATOM 1867 NH2 ARG A 119 -5.637 14.616 -0.372 1.00 62.12 N ATOM 0 H ARG A 119 -4.358 5.643 1.056 1.00 13.32 H new ATOM 0 HA ARG A 119 -4.865 7.527 -0.936 1.00 5.30 H new ATOM 0 HB2 ARG A 119 -6.283 8.602 0.810 1.00 45.23 H new ATOM 0 HB3 ARG A 119 -4.885 8.684 1.864 1.00 45.23 H new ATOM 0 HG2 ARG A 119 -3.720 10.127 0.238 1.00 35.52 H new ATOM 0 HG3 ARG A 119 -5.083 10.014 -0.858 1.00 35.52 H new ATOM 0 HD2 ARG A 119 -6.547 11.012 0.917 1.00 71.22 H new ATOM 0 HD3 ARG A 119 -5.137 11.196 1.941 1.00 71.22 H new ATOM 0 HE ARG A 119 -4.283 12.522 -0.247 1.00 61.51 H new ATOM 0 HH11 ARG A 119 -7.378 12.635 1.482 1.00 72.23 H new ATOM 0 HH12 ARG A 119 -7.725 14.296 0.992 1.00 72.23 H new ATOM 0 HH21 ARG A 119 -4.765 14.650 -0.900 1.00 62.12 H new ATOM 0 HH22 ARG A 119 -6.252 15.430 -0.350 1.00 62.12 H new ATOM 1980 N LEU A 127 0.954 19.102 -3.179 1.00 50.22 N ATOM 1981 CA LEU A 127 0.751 18.241 -4.313 1.00 11.41 C ATOM 1982 C LEU A 127 -0.723 18.014 -4.456 1.00 25.12 C ATOM 1983 O LEU A 127 -1.473 18.116 -3.485 1.00 63.14 O ATOM 1984 CB LEU A 127 1.459 16.869 -4.201 1.00 23.40 C ATOM 1985 CG LEU A 127 2.991 16.832 -4.245 1.00 5.42 C ATOM 1986 CD1 LEU A 127 3.617 17.467 -3.027 1.00 2.24 C ATOM 1987 CD2 LEU A 127 3.470 15.406 -4.430 1.00 14.43 C ATOM 0 HA LEU A 127 1.187 18.738 -5.179 1.00 11.41 H new ATOM 0 HB2 LEU A 127 1.143 16.408 -3.265 1.00 23.40 H new ATOM 0 HB3 LEU A 127 1.089 16.238 -5.009 1.00 23.40 H new ATOM 0 HG LEU A 127 3.313 17.426 -5.100 1.00 5.42 H new ATOM 0 HD11 LEU A 127 4.703 17.415 -3.107 1.00 2.24 H new ATOM 0 HD12 LEU A 127 3.308 18.510 -2.961 1.00 2.24 H new ATOM 0 HD13 LEU A 127 3.293 16.935 -2.132 1.00 2.24 H new ATOM 0 HD21 LEU A 127 4.559 15.389 -4.460 1.00 14.43 H new ATOM 0 HD22 LEU A 127 3.121 14.794 -3.598 1.00 14.43 H new ATOM 0 HD23 LEU A 127 3.075 15.008 -5.365 1.00 14.43 H new ATOM 1999 N GLN A 128 -1.139 17.736 -5.623 1.00 22.14 N ATOM 2000 CA GLN A 128 -2.505 17.523 -5.887 1.00 13.04 C ATOM 2001 C GLN A 128 -2.739 16.048 -6.119 1.00 64.22 C ATOM 2002 O GLN A 128 -2.035 15.437 -6.934 1.00 2.04 O ATOM 2003 CB GLN A 128 -2.888 18.348 -7.105 1.00 43.44 C ATOM 2004 CG GLN A 128 -4.282 18.129 -7.578 1.00 63.12 C ATOM 2005 CD GLN A 128 -4.624 18.965 -8.792 1.00 64.43 C ATOM 2006 OE1 GLN A 128 -3.753 19.295 -9.599 1.00 61.23 O ATOM 2007 NE2 GLN A 128 -5.880 19.289 -8.951 1.00 74.42 N ATOM 0 H GLN A 128 -0.533 17.648 -6.438 1.00 22.14 H new ATOM 0 HA GLN A 128 -3.124 17.832 -5.045 1.00 13.04 H new ATOM 0 HB2 GLN A 128 -2.758 19.404 -6.870 1.00 43.44 H new ATOM 0 HB3 GLN A 128 -2.200 18.116 -7.918 1.00 43.44 H new ATOM 0 HG2 GLN A 128 -4.419 17.075 -7.818 1.00 63.12 H new ATOM 0 HG3 GLN A 128 -4.976 18.365 -6.772 1.00 63.12 H new ATOM 0 HE21 GLN A 128 -6.573 18.998 -8.262 1.00 74.42 H new ATOM 0 HE22 GLN A 128 -6.167 19.833 -9.765 1.00 74.42 H new ATOM 2016 N TRP A 129 -3.711 15.466 -5.403 1.00 55.14 N ATOM 2017 CA TRP A 129 -4.049 14.049 -5.570 1.00 60.22 C ATOM 2018 C TRP A 129 -4.390 13.721 -7.025 1.00 54.43 C ATOM 2019 O TRP A 129 -4.112 12.638 -7.494 1.00 13.05 O ATOM 2020 CB TRP A 129 -5.187 13.591 -4.620 1.00 63.44 C ATOM 2021 CG TRP A 129 -5.638 12.177 -4.906 1.00 43.41 C ATOM 2022 CD1 TRP A 129 -6.732 11.805 -5.635 1.00 11.45 C ATOM 2023 CD2 TRP A 129 -4.988 10.958 -4.516 1.00 15.32 C ATOM 2024 NE1 TRP A 129 -6.794 10.444 -5.729 1.00 11.31 N ATOM 2025 CE2 TRP A 129 -5.744 9.896 -5.049 1.00 33.51 C ATOM 2026 CE3 TRP A 129 -3.845 10.661 -3.775 1.00 12.11 C ATOM 2027 CZ2 TRP A 129 -5.391 8.559 -4.861 1.00 52.24 C ATOM 2028 CZ3 TRP A 129 -3.504 9.334 -3.592 1.00 52.13 C ATOM 2029 CH2 TRP A 129 -4.275 8.301 -4.137 1.00 30.41 C ATOM 0 H TRP A 129 -4.274 15.954 -4.706 1.00 55.14 H new ATOM 0 HA TRP A 129 -3.157 13.487 -5.294 1.00 60.22 H new ATOM 0 HB2 TRP A 129 -4.845 13.659 -3.587 1.00 63.44 H new ATOM 0 HB3 TRP A 129 -6.035 14.268 -4.720 1.00 63.44 H new ATOM 0 HD1 TRP A 129 -7.444 12.488 -6.073 1.00 11.45 H new ATOM 0 HE1 TRP A 129 -7.512 9.919 -6.229 1.00 11.31 H new ATOM 0 HE3 TRP A 129 -3.240 11.450 -3.354 1.00 12.11 H new ATOM 0 HZ2 TRP A 129 -5.986 7.759 -5.277 1.00 52.24 H new ATOM 0 HZ3 TRP A 129 -2.624 9.089 -3.016 1.00 52.13 H new ATOM 0 HH2 TRP A 129 -3.974 7.276 -3.977 1.00 30.41 H new ATOM 2040 N GLU A 130 -4.975 14.663 -7.717 1.00 70.13 N ATOM 2041 CA GLU A 130 -5.319 14.507 -9.123 1.00 41.22 C ATOM 2042 C GLU A 130 -4.056 14.227 -9.962 1.00 63.31 C ATOM 2043 O GLU A 130 -4.081 13.427 -10.891 1.00 23.44 O ATOM 2044 CB GLU A 130 -6.053 15.749 -9.599 1.00 12.44 C ATOM 2045 CG GLU A 130 -6.555 15.710 -11.017 1.00 23.30 C ATOM 2046 CD GLU A 130 -7.354 16.934 -11.338 1.00 11.15 C ATOM 2047 OE1 GLU A 130 -8.549 16.982 -10.961 1.00 3.03 O ATOM 2048 OE2 GLU A 130 -6.807 17.872 -11.942 1.00 45.54 O ATOM 0 H GLU A 130 -5.232 15.570 -7.327 1.00 70.13 H new ATOM 0 HA GLU A 130 -5.980 13.649 -9.248 1.00 41.22 H new ATOM 0 HB2 GLU A 130 -6.902 15.922 -8.938 1.00 12.44 H new ATOM 0 HB3 GLU A 130 -5.387 16.605 -9.493 1.00 12.44 H new ATOM 0 HG2 GLU A 130 -5.711 15.632 -11.703 1.00 23.30 H new ATOM 0 HG3 GLU A 130 -7.169 14.822 -11.165 1.00 23.30 H new ATOM 2055 N ASN A 131 -2.949 14.848 -9.582 1.00 20.12 N ATOM 2056 CA ASN A 131 -1.672 14.623 -10.261 1.00 20.03 C ATOM 2057 C ASN A 131 -1.128 13.277 -9.847 1.00 32.34 C ATOM 2058 O ASN A 131 -0.621 12.518 -10.666 1.00 50.35 O ATOM 2059 CB ASN A 131 -0.641 15.711 -9.911 1.00 71.32 C ATOM 2060 CG ASN A 131 -1.074 17.106 -10.308 1.00 12.10 C ATOM 2061 OD1 ASN A 131 -1.815 17.298 -11.268 1.00 51.44 O ATOM 2062 ND2 ASN A 131 -0.604 18.091 -9.584 1.00 14.30 N ATOM 0 H ASN A 131 -2.905 15.512 -8.809 1.00 20.12 H new ATOM 0 HA ASN A 131 -1.848 14.658 -11.336 1.00 20.03 H new ATOM 0 HB2 ASN A 131 -0.453 15.690 -8.838 1.00 71.32 H new ATOM 0 HB3 ASN A 131 0.302 15.478 -10.405 1.00 71.32 H new ATOM 0 HD21 ASN A 131 -0.851 19.054 -9.811 1.00 14.30 H new ATOM 0 HD22 ASN A 131 0.009 17.895 -8.793 1.00 14.30 H new ATOM 2069 N VAL A 132 -1.260 12.987 -8.554 1.00 3.00 N ATOM 2070 CA VAL A 132 -0.825 11.718 -7.972 1.00 42.51 C ATOM 2071 C VAL A 132 -1.547 10.553 -8.646 1.00 4.32 C ATOM 2072 O VAL A 132 -0.918 9.653 -9.179 1.00 33.02 O ATOM 2073 CB VAL A 132 -1.115 11.686 -6.436 1.00 40.34 C ATOM 2074 CG1 VAL A 132 -0.737 10.341 -5.816 1.00 64.44 C ATOM 2075 CG2 VAL A 132 -0.393 12.824 -5.723 1.00 1.31 C ATOM 0 H VAL A 132 -1.674 13.628 -7.877 1.00 3.00 H new ATOM 0 HA VAL A 132 0.249 11.623 -8.133 1.00 42.51 H new ATOM 0 HB VAL A 132 -2.189 11.820 -6.307 1.00 40.34 H new ATOM 0 HG11 VAL A 132 -0.954 10.359 -4.748 1.00 64.44 H new ATOM 0 HG12 VAL A 132 -1.314 9.547 -6.290 1.00 64.44 H new ATOM 0 HG13 VAL A 132 0.327 10.157 -5.967 1.00 64.44 H new ATOM 0 HG21 VAL A 132 -0.610 12.781 -4.656 1.00 1.31 H new ATOM 0 HG22 VAL A 132 0.681 12.727 -5.879 1.00 1.31 H new ATOM 0 HG23 VAL A 132 -0.733 13.779 -6.124 1.00 1.31 H new ATOM 2085 N SER A 133 -2.866 10.613 -8.645 1.00 74.05 N ATOM 2086 CA SER A 133 -3.703 9.595 -9.230 1.00 74.20 C ATOM 2087 C SER A 133 -3.408 9.404 -10.710 1.00 51.45 C ATOM 2088 O SER A 133 -3.339 8.266 -11.190 1.00 22.31 O ATOM 2089 CB SER A 133 -5.186 9.907 -8.969 1.00 45.32 C ATOM 2090 OG SER A 133 -5.511 11.233 -9.362 1.00 44.44 O ATOM 0 H SER A 133 -3.389 11.384 -8.230 1.00 74.05 H new ATOM 0 HA SER A 133 -3.473 8.645 -8.748 1.00 74.20 H new ATOM 0 HB2 SER A 133 -5.810 9.200 -9.515 1.00 45.32 H new ATOM 0 HB3 SER A 133 -5.407 9.775 -7.910 1.00 45.32 H new ATOM 0 HG SER A 133 -5.107 11.868 -8.735 1.00 44.44 H new ATOM 2096 N ALA A 134 -3.207 10.509 -11.427 1.00 70.30 N ATOM 2097 CA ALA A 134 -2.862 10.435 -12.829 1.00 74.43 C ATOM 2098 C ALA A 134 -1.553 9.692 -13.001 1.00 20.51 C ATOM 2099 O ALA A 134 -1.489 8.727 -13.749 1.00 65.55 O ATOM 2100 CB ALA A 134 -2.787 11.821 -13.452 1.00 4.01 C ATOM 0 H ALA A 134 -3.279 11.456 -11.055 1.00 70.30 H new ATOM 0 HA ALA A 134 -3.647 9.886 -13.349 1.00 74.43 H new ATOM 0 HB1 ALA A 134 -2.526 11.732 -14.506 1.00 4.01 H new ATOM 0 HB2 ALA A 134 -3.754 12.315 -13.358 1.00 4.01 H new ATOM 0 HB3 ALA A 134 -2.027 12.410 -12.938 1.00 4.01 H new ATOM 2106 N MET A 135 -0.545 10.116 -12.239 1.00 23.02 N ATOM 2107 CA MET A 135 0.799 9.525 -12.253 1.00 51.00 C ATOM 2108 C MET A 135 0.745 8.035 -11.987 1.00 0.35 C ATOM 2109 O MET A 135 1.374 7.256 -12.688 1.00 23.21 O ATOM 2110 CB MET A 135 1.669 10.169 -11.171 1.00 61.54 C ATOM 2111 CG MET A 135 3.069 9.579 -11.083 1.00 13.23 C ATOM 2112 SD MET A 135 4.015 10.210 -9.693 1.00 75.04 S ATOM 2113 CE MET A 135 4.091 11.956 -10.061 1.00 14.35 C ATOM 0 H MET A 135 -0.638 10.892 -11.583 1.00 23.02 H new ATOM 0 HA MET A 135 1.223 9.703 -13.241 1.00 51.00 H new ATOM 0 HB2 MET A 135 1.746 11.238 -11.368 1.00 61.54 H new ATOM 0 HB3 MET A 135 1.175 10.057 -10.206 1.00 61.54 H new ATOM 0 HG2 MET A 135 2.995 8.495 -11.002 1.00 13.23 H new ATOM 0 HG3 MET A 135 3.606 9.794 -12.007 1.00 13.23 H new ATOM 0 HE1 MET A 135 4.681 12.463 -9.297 1.00 14.35 H new ATOM 0 HE2 MET A 135 4.556 12.102 -11.036 1.00 14.35 H new ATOM 0 HE3 MET A 135 3.082 12.369 -10.075 1.00 14.35 H new ATOM 2123 N ILE A 136 -0.019 7.651 -10.976 1.00 10.54 N ATOM 2124 CA ILE A 136 -0.159 6.248 -10.592 1.00 3.14 C ATOM 2125 C ILE A 136 -0.656 5.438 -11.769 1.00 3.13 C ATOM 2126 O ILE A 136 -0.069 4.410 -12.127 1.00 12.02 O ATOM 2127 CB ILE A 136 -1.143 6.080 -9.410 1.00 45.41 C ATOM 2128 CG1 ILE A 136 -0.627 6.815 -8.174 1.00 65.50 C ATOM 2129 CG2 ILE A 136 -1.385 4.599 -9.098 1.00 32.32 C ATOM 2130 CD1 ILE A 136 -1.578 6.780 -6.999 1.00 41.10 C ATOM 0 H ILE A 136 -0.558 8.296 -10.399 1.00 10.54 H new ATOM 0 HA ILE A 136 0.822 5.891 -10.279 1.00 3.14 H new ATOM 0 HB ILE A 136 -2.097 6.520 -9.701 1.00 45.41 H new ATOM 0 HG12 ILE A 136 0.324 6.375 -7.873 1.00 65.50 H new ATOM 0 HG13 ILE A 136 -0.429 7.854 -8.438 1.00 65.50 H new ATOM 0 HG21 ILE A 136 -2.080 4.512 -8.263 1.00 32.32 H new ATOM 0 HG22 ILE A 136 -1.807 4.107 -9.974 1.00 32.32 H new ATOM 0 HG23 ILE A 136 -0.440 4.124 -8.834 1.00 32.32 H new ATOM 0 HD11 ILE A 136 -1.141 7.323 -6.161 1.00 41.10 H new ATOM 0 HD12 ILE A 136 -2.522 7.247 -7.281 1.00 41.10 H new ATOM 0 HD13 ILE A 136 -1.758 5.745 -6.707 1.00 41.10 H new ATOM 2142 N GLU A 137 -1.705 5.928 -12.395 1.00 62.41 N ATOM 2143 CA GLU A 137 -2.279 5.254 -13.522 1.00 13.41 C ATOM 2144 C GLU A 137 -1.339 5.286 -14.710 1.00 73.12 C ATOM 2145 O GLU A 137 -1.356 4.390 -15.504 1.00 1.10 O ATOM 2146 CB GLU A 137 -3.633 5.824 -13.891 1.00 52.25 C ATOM 2147 CG GLU A 137 -4.647 5.772 -12.769 1.00 44.10 C ATOM 2148 CD GLU A 137 -6.014 6.213 -13.204 1.00 51.24 C ATOM 2149 OE1 GLU A 137 -6.167 7.386 -13.595 1.00 4.13 O ATOM 2150 OE2 GLU A 137 -6.962 5.378 -13.193 1.00 4.15 O ATOM 0 H GLU A 137 -2.174 6.796 -12.135 1.00 62.41 H new ATOM 0 HA GLU A 137 -2.431 4.214 -13.233 1.00 13.41 H new ATOM 0 HB2 GLU A 137 -3.507 6.860 -14.205 1.00 52.25 H new ATOM 0 HB3 GLU A 137 -4.025 5.276 -14.748 1.00 52.25 H new ATOM 0 HG2 GLU A 137 -4.704 4.754 -12.383 1.00 44.10 H new ATOM 0 HG3 GLU A 137 -4.309 6.406 -11.949 1.00 44.10 H new ATOM 2157 N GLU A 138 -0.519 6.334 -14.825 1.00 32.34 N ATOM 2158 CA GLU A 138 0.461 6.409 -15.908 1.00 13.24 C ATOM 2159 C GLU A 138 1.529 5.340 -15.720 1.00 51.43 C ATOM 2160 O GLU A 138 1.856 4.614 -16.644 1.00 12.31 O ATOM 2161 CB GLU A 138 1.148 7.777 -15.989 1.00 13.15 C ATOM 2162 CG GLU A 138 0.225 8.959 -16.162 1.00 2.35 C ATOM 2163 CD GLU A 138 0.981 10.216 -16.453 1.00 10.10 C ATOM 2164 OE1 GLU A 138 1.499 10.847 -15.510 1.00 44.03 O ATOM 2165 OE2 GLU A 138 1.084 10.592 -17.639 1.00 14.44 O ATOM 0 H GLU A 138 -0.514 7.132 -14.190 1.00 32.34 H new ATOM 0 HA GLU A 138 -0.088 6.250 -16.836 1.00 13.24 H new ATOM 0 HB2 GLU A 138 1.733 7.925 -15.081 1.00 13.15 H new ATOM 0 HB3 GLU A 138 1.851 7.762 -16.822 1.00 13.15 H new ATOM 0 HG2 GLU A 138 -0.474 8.759 -16.974 1.00 2.35 H new ATOM 0 HG3 GLU A 138 -0.368 9.093 -15.257 1.00 2.35 H new ATOM 2172 N VAL A 139 2.054 5.248 -14.512 1.00 2.22 N ATOM 2173 CA VAL A 139 3.091 4.276 -14.178 1.00 64.33 C ATOM 2174 C VAL A 139 2.548 2.838 -14.339 1.00 44.41 C ATOM 2175 O VAL A 139 3.214 1.960 -14.903 1.00 32.14 O ATOM 2176 CB VAL A 139 3.638 4.512 -12.722 1.00 52.24 C ATOM 2177 CG1 VAL A 139 4.719 3.514 -12.354 1.00 21.11 C ATOM 2178 CG2 VAL A 139 4.183 5.925 -12.572 1.00 43.32 C ATOM 0 H VAL A 139 1.777 5.843 -13.731 1.00 2.22 H new ATOM 0 HA VAL A 139 3.923 4.410 -14.869 1.00 64.33 H new ATOM 0 HB VAL A 139 2.797 4.372 -12.043 1.00 52.24 H new ATOM 0 HG11 VAL A 139 5.068 3.713 -11.341 1.00 21.11 H new ATOM 0 HG12 VAL A 139 4.314 2.503 -12.406 1.00 21.11 H new ATOM 0 HG13 VAL A 139 5.553 3.607 -13.050 1.00 21.11 H new ATOM 0 HG21 VAL A 139 4.556 6.065 -11.557 1.00 43.32 H new ATOM 0 HG22 VAL A 139 4.996 6.079 -13.282 1.00 43.32 H new ATOM 0 HG23 VAL A 139 3.388 6.644 -12.769 1.00 43.32 H new ATOM 2188 N PHE A 140 1.339 2.622 -13.869 1.00 71.33 N ATOM 2189 CA PHE A 140 0.664 1.327 -13.972 1.00 22.50 C ATOM 2190 C PHE A 140 0.034 1.035 -15.332 1.00 32.12 C ATOM 2191 O PHE A 140 -0.343 -0.104 -15.596 1.00 54.25 O ATOM 2192 CB PHE A 140 -0.341 1.095 -12.856 1.00 61.23 C ATOM 2193 CG PHE A 140 0.272 0.702 -11.549 1.00 24.32 C ATOM 2194 CD1 PHE A 140 0.554 -0.626 -11.304 1.00 5.52 C ATOM 2195 CD2 PHE A 140 0.545 1.628 -10.563 1.00 42.15 C ATOM 2196 CE1 PHE A 140 1.089 -1.025 -10.120 1.00 70.21 C ATOM 2197 CE2 PHE A 140 1.085 1.217 -9.356 1.00 32.32 C ATOM 2198 CZ PHE A 140 1.351 -0.124 -9.149 1.00 22.02 C ATOM 0 H PHE A 140 0.785 3.338 -13.400 1.00 71.33 H new ATOM 0 HA PHE A 140 1.477 0.610 -13.858 1.00 22.50 H new ATOM 0 HB2 PHE A 140 -0.923 2.005 -12.712 1.00 61.23 H new ATOM 0 HB3 PHE A 140 -1.038 0.316 -13.166 1.00 61.23 H new ATOM 0 HD1 PHE A 140 0.346 -1.362 -12.067 1.00 5.52 H new ATOM 0 HD2 PHE A 140 0.337 2.674 -10.733 1.00 42.15 H new ATOM 0 HE1 PHE A 140 1.306 -2.070 -9.955 1.00 70.21 H new ATOM 0 HE2 PHE A 140 1.297 1.939 -8.581 1.00 32.32 H new ATOM 0 HZ PHE A 140 1.769 -0.451 -8.209 1.00 22.02 H new ATOM 2208 N GLU A 141 -0.111 2.046 -16.161 1.00 41.20 N ATOM 2209 CA GLU A 141 -0.757 1.952 -17.473 1.00 43.31 C ATOM 2210 C GLU A 141 -0.220 0.801 -18.328 1.00 61.24 C ATOM 2211 O GLU A 141 -0.975 0.136 -19.046 1.00 51.23 O ATOM 2212 CB GLU A 141 -0.575 3.264 -18.209 1.00 33.34 C ATOM 2213 CG GLU A 141 -1.266 3.329 -19.525 1.00 41.42 C ATOM 2214 CD GLU A 141 -1.022 4.625 -20.225 1.00 33.35 C ATOM 2215 OE1 GLU A 141 -1.777 5.580 -20.000 1.00 52.24 O ATOM 2216 OE2 GLU A 141 -0.065 4.711 -21.017 1.00 23.32 O ATOM 0 H GLU A 141 0.223 2.985 -15.945 1.00 41.20 H new ATOM 0 HA GLU A 141 -1.813 1.746 -17.301 1.00 43.31 H new ATOM 0 HB2 GLU A 141 -0.942 4.074 -17.579 1.00 33.34 H new ATOM 0 HB3 GLU A 141 0.490 3.436 -18.362 1.00 33.34 H new ATOM 0 HG2 GLU A 141 -0.924 2.508 -20.154 1.00 41.42 H new ATOM 0 HG3 GLU A 141 -2.337 3.193 -19.378 1.00 41.42 H new ATOM 2223 N ALA A 142 1.059 0.564 -18.243 1.00 73.51 N ATOM 2224 CA ALA A 142 1.684 -0.482 -19.031 1.00 75.11 C ATOM 2225 C ALA A 142 1.749 -1.807 -18.266 1.00 44.41 C ATOM 2226 O ALA A 142 2.379 -2.772 -18.722 1.00 42.41 O ATOM 2227 CB ALA A 142 3.068 -0.051 -19.487 1.00 74.02 C ATOM 0 H ALA A 142 1.698 1.078 -17.636 1.00 73.51 H new ATOM 0 HA ALA A 142 1.064 -0.647 -19.912 1.00 75.11 H new ATOM 0 HB1 ALA A 142 3.521 -0.848 -20.076 1.00 74.02 H new ATOM 0 HB2 ALA A 142 2.986 0.849 -20.096 1.00 74.02 H new ATOM 0 HB3 ALA A 142 3.690 0.155 -18.616 1.00 74.02 H new ATOM 2233 N THR A 143 1.098 -1.866 -17.122 1.00 22.34 N ATOM 2234 CA THR A 143 1.068 -3.077 -16.326 1.00 33.04 C ATOM 2235 C THR A 143 -0.359 -3.573 -16.142 1.00 41.13 C ATOM 2236 O THR A 143 -1.307 -2.964 -16.641 1.00 33.34 O ATOM 2237 CB THR A 143 1.755 -2.915 -14.949 1.00 13.34 C ATOM 2238 OG1 THR A 143 1.186 -1.826 -14.234 1.00 22.24 O ATOM 2239 CG2 THR A 143 3.248 -2.708 -15.095 1.00 63.15 C ATOM 0 H THR A 143 0.580 -1.085 -16.721 1.00 22.34 H new ATOM 0 HA THR A 143 1.639 -3.819 -16.884 1.00 33.04 H new ATOM 0 HB THR A 143 1.591 -3.837 -14.391 1.00 13.34 H new ATOM 0 HG1 THR A 143 0.486 -1.408 -14.777 1.00 22.24 H new ATOM 0 HG21 THR A 143 3.698 -2.598 -14.108 1.00 63.15 H new ATOM 0 HG22 THR A 143 3.687 -3.568 -15.600 1.00 63.15 H new ATOM 0 HG23 THR A 143 3.435 -1.808 -15.682 1.00 63.15 H new ATOM 2247 N ASP A 144 -0.496 -4.658 -15.428 1.00 43.23 N ATOM 2248 CA ASP A 144 -1.772 -5.317 -15.215 1.00 62.44 C ATOM 2249 C ASP A 144 -2.335 -5.080 -13.808 1.00 73.15 C ATOM 2250 O ASP A 144 -3.457 -5.498 -13.515 1.00 24.24 O ATOM 2251 CB ASP A 144 -1.584 -6.822 -15.420 1.00 52.42 C ATOM 2252 CG ASP A 144 -0.541 -7.404 -14.475 1.00 10.34 C ATOM 2253 OD1 ASP A 144 0.668 -7.286 -14.773 1.00 51.01 O ATOM 2254 OD2 ASP A 144 -0.913 -7.965 -13.423 1.00 73.15 O ATOM 0 H ASP A 144 0.286 -5.123 -14.967 1.00 43.23 H new ATOM 0 HA ASP A 144 -2.482 -4.897 -15.927 1.00 62.44 H new ATOM 0 HB2 ASP A 144 -2.536 -7.330 -15.265 1.00 52.42 H new ATOM 0 HB3 ASP A 144 -1.285 -7.012 -16.451 1.00 52.42 H new ATOM 2259 N ILE A 145 -1.593 -4.400 -12.963 1.00 72.32 N ATOM 2260 CA ILE A 145 -1.988 -4.247 -11.555 1.00 10.55 C ATOM 2261 C ILE A 145 -3.117 -3.199 -11.387 1.00 44.42 C ATOM 2262 O ILE A 145 -3.078 -2.119 -11.989 1.00 34.42 O ATOM 2263 CB ILE A 145 -0.758 -3.884 -10.661 1.00 4.20 C ATOM 2264 CG1 ILE A 145 0.380 -4.870 -10.944 1.00 34.52 C ATOM 2265 CG2 ILE A 145 -1.133 -3.927 -9.178 1.00 22.34 C ATOM 2266 CD1 ILE A 145 1.669 -4.516 -10.268 1.00 14.33 C ATOM 0 H ILE A 145 -0.716 -3.942 -13.211 1.00 72.32 H new ATOM 0 HA ILE A 145 -2.379 -5.209 -11.223 1.00 10.55 H new ATOM 0 HB ILE A 145 -0.434 -2.871 -10.899 1.00 4.20 H new ATOM 0 HG12 ILE A 145 0.074 -5.866 -10.623 1.00 34.52 H new ATOM 0 HG13 ILE A 145 0.546 -4.919 -12.020 1.00 34.52 H new ATOM 0 HG21 ILE A 145 -0.262 -3.671 -8.575 1.00 22.34 H new ATOM 0 HG22 ILE A 145 -1.932 -3.211 -8.984 1.00 22.34 H new ATOM 0 HG23 ILE A 145 -1.473 -4.929 -8.918 1.00 22.34 H new ATOM 0 HD11 ILE A 145 2.426 -5.260 -10.516 1.00 14.33 H new ATOM 0 HD12 ILE A 145 2.000 -3.534 -10.607 1.00 14.33 H new ATOM 0 HD13 ILE A 145 1.520 -4.496 -9.188 1.00 14.33 H new ATOM 2278 N LYS A 146 -4.132 -3.554 -10.609 1.00 12.53 N ATOM 2279 CA LYS A 146 -5.262 -2.667 -10.308 1.00 13.53 C ATOM 2280 C LYS A 146 -4.907 -1.857 -9.118 1.00 52.42 C ATOM 2281 O LYS A 146 -4.081 -2.272 -8.296 1.00 72.21 O ATOM 2282 CB LYS A 146 -6.574 -3.415 -9.920 1.00 64.40 C ATOM 2283 CG LYS A 146 -7.198 -4.365 -10.928 1.00 11.04 C ATOM 2284 CD LYS A 146 -6.275 -5.489 -11.234 1.00 72.25 C ATOM 2285 CE LYS A 146 -6.973 -6.648 -11.909 1.00 71.53 C ATOM 2286 NZ LYS A 146 -8.007 -7.240 -11.023 1.00 41.31 N ATOM 0 H LYS A 146 -4.200 -4.469 -10.164 1.00 12.53 H new ATOM 0 HA LYS A 146 -5.442 -2.091 -11.215 1.00 13.53 H new ATOM 0 HB2 LYS A 146 -6.374 -3.982 -9.011 1.00 64.40 H new ATOM 0 HB3 LYS A 146 -7.321 -2.662 -9.669 1.00 64.40 H new ATOM 0 HG2 LYS A 146 -8.136 -4.756 -10.534 1.00 11.04 H new ATOM 0 HG3 LYS A 146 -7.437 -3.825 -11.844 1.00 11.04 H new ATOM 0 HD2 LYS A 146 -5.471 -5.130 -11.877 1.00 72.25 H new ATOM 0 HD3 LYS A 146 -5.813 -5.836 -10.310 1.00 72.25 H new ATOM 0 HE2 LYS A 146 -7.435 -6.308 -12.836 1.00 71.53 H new ATOM 0 HE3 LYS A 146 -6.241 -7.410 -12.179 1.00 71.53 H new ATOM 0 HZ1 LYS A 146 -8.012 -8.274 -11.138 1.00 41.31 H new ATOM 0 HZ2 LYS A 146 -7.794 -7.002 -10.033 1.00 41.31 H new ATOM 0 HZ3 LYS A 146 -8.941 -6.859 -11.277 1.00 41.31 H new ATOM 2300 N ILE A 147 -5.527 -0.747 -8.999 1.00 14.34 N ATOM 2301 CA ILE A 147 -5.303 0.114 -7.865 1.00 74.32 C ATOM 2302 C ILE A 147 -6.661 0.369 -7.221 1.00 62.11 C ATOM 2303 O ILE A 147 -7.554 0.970 -7.843 1.00 31.04 O ATOM 2304 CB ILE A 147 -4.722 1.503 -8.296 1.00 24.44 C ATOM 2305 CG1 ILE A 147 -3.613 1.371 -9.371 1.00 43.43 C ATOM 2306 CG2 ILE A 147 -4.204 2.275 -7.083 1.00 65.24 C ATOM 2307 CD1 ILE A 147 -2.442 0.504 -8.997 1.00 51.10 C ATOM 0 H ILE A 147 -6.206 -0.394 -9.673 1.00 14.34 H new ATOM 0 HA ILE A 147 -4.593 -0.367 -7.192 1.00 74.32 H new ATOM 0 HB ILE A 147 -5.542 2.063 -8.746 1.00 24.44 H new ATOM 0 HG12 ILE A 147 -4.061 0.972 -10.281 1.00 43.43 H new ATOM 0 HG13 ILE A 147 -3.242 2.368 -9.608 1.00 43.43 H new ATOM 0 HG21 ILE A 147 -3.805 3.236 -7.407 1.00 65.24 H new ATOM 0 HG22 ILE A 147 -5.021 2.439 -6.380 1.00 65.24 H new ATOM 0 HG23 ILE A 147 -3.416 1.701 -6.596 1.00 65.24 H new ATOM 0 HD11 ILE A 147 -1.728 0.482 -9.820 1.00 51.10 H new ATOM 0 HD12 ILE A 147 -1.959 0.909 -8.108 1.00 51.10 H new ATOM 0 HD13 ILE A 147 -2.790 -0.508 -8.791 1.00 51.10 H new ATOM 2319 N THR A 148 -6.829 -0.049 -6.017 1.00 12.31 N ATOM 2320 CA THR A 148 -8.071 0.160 -5.360 1.00 52.21 C ATOM 2321 C THR A 148 -7.873 1.152 -4.215 1.00 53.43 C ATOM 2322 O THR A 148 -7.211 0.852 -3.219 1.00 43.21 O ATOM 2323 CB THR A 148 -8.652 -1.166 -4.815 1.00 71.21 C ATOM 2324 OG1 THR A 148 -8.558 -2.202 -5.816 1.00 63.33 O ATOM 2325 CG2 THR A 148 -10.117 -0.966 -4.492 1.00 13.24 C ATOM 0 H THR A 148 -6.123 -0.538 -5.466 1.00 12.31 H new ATOM 0 HA THR A 148 -8.781 0.561 -6.083 1.00 52.21 H new ATOM 0 HB THR A 148 -8.090 -1.456 -3.927 1.00 71.21 H new ATOM 0 HG1 THR A 148 -8.253 -3.034 -5.398 1.00 63.33 H new ATOM 0 HG21 THR A 148 -10.535 -1.896 -4.107 1.00 13.24 H new ATOM 0 HG22 THR A 148 -10.220 -0.183 -3.740 1.00 13.24 H new ATOM 0 HG23 THR A 148 -10.652 -0.674 -5.396 1.00 13.24 H new ATOM 2333 N VAL A 149 -8.421 2.320 -4.361 1.00 35.33 N ATOM 2334 CA VAL A 149 -8.273 3.342 -3.361 1.00 10.44 C ATOM 2335 C VAL A 149 -9.524 3.402 -2.512 1.00 34.13 C ATOM 2336 O VAL A 149 -10.607 3.698 -3.005 1.00 54.25 O ATOM 2337 CB VAL A 149 -7.991 4.732 -3.999 1.00 43.13 C ATOM 2338 CG1 VAL A 149 -7.874 5.814 -2.932 1.00 41.15 C ATOM 2339 CG2 VAL A 149 -6.716 4.680 -4.815 1.00 35.03 C ATOM 0 H VAL A 149 -8.980 2.594 -5.169 1.00 35.33 H new ATOM 0 HA VAL A 149 -7.416 3.087 -2.737 1.00 10.44 H new ATOM 0 HB VAL A 149 -8.830 4.980 -4.649 1.00 43.13 H new ATOM 0 HG11 VAL A 149 -7.677 6.775 -3.408 1.00 41.15 H new ATOM 0 HG12 VAL A 149 -8.806 5.872 -2.369 1.00 41.15 H new ATOM 0 HG13 VAL A 149 -7.056 5.570 -2.255 1.00 41.15 H new ATOM 0 HG21 VAL A 149 -6.527 5.658 -5.258 1.00 35.03 H new ATOM 0 HG22 VAL A 149 -5.882 4.407 -4.169 1.00 35.03 H new ATOM 0 HG23 VAL A 149 -6.820 3.938 -5.606 1.00 35.03 H new ATOM 2349 N TYR A 150 -9.381 3.101 -1.256 1.00 51.23 N ATOM 2350 CA TYR A 150 -10.500 3.132 -0.348 1.00 2.41 C ATOM 2351 C TYR A 150 -10.585 4.460 0.314 1.00 31.41 C ATOM 2352 O TYR A 150 -9.688 4.863 1.045 1.00 0.00 O ATOM 2353 CB TYR A 150 -10.436 2.010 0.683 1.00 34.32 C ATOM 2354 CG TYR A 150 -10.613 0.644 0.080 1.00 3.51 C ATOM 2355 CD1 TYR A 150 -9.570 0.015 -0.565 1.00 0.23 C ATOM 2356 CD2 TYR A 150 -11.838 -0.009 0.144 1.00 22.54 C ATOM 2357 CE1 TYR A 150 -9.732 -1.221 -1.126 1.00 43.52 C ATOM 2358 CE2 TYR A 150 -12.006 -1.254 -0.421 1.00 22.22 C ATOM 2359 CZ TYR A 150 -10.944 -1.853 -1.055 1.00 22.21 C ATOM 2360 OH TYR A 150 -11.092 -3.087 -1.629 1.00 52.10 O ATOM 0 H TYR A 150 -8.495 2.829 -0.830 1.00 51.23 H new ATOM 0 HA TYR A 150 -11.405 2.970 -0.933 1.00 2.41 H new ATOM 0 HB2 TYR A 150 -9.476 2.052 1.198 1.00 34.32 H new ATOM 0 HB3 TYR A 150 -11.208 2.171 1.435 1.00 34.32 H new ATOM 0 HD1 TYR A 150 -8.610 0.506 -0.628 1.00 0.23 H new ATOM 0 HD2 TYR A 150 -12.669 0.466 0.643 1.00 22.54 H new ATOM 0 HE1 TYR A 150 -8.903 -1.699 -1.626 1.00 43.52 H new ATOM 0 HE2 TYR A 150 -12.962 -1.754 -0.366 1.00 22.22 H new ATOM 0 HH TYR A 150 -12.009 -3.403 -1.492 1.00 52.10 H new ATOM 2370 N THR A 151 -11.642 5.136 0.056 1.00 74.13 N ATOM 2371 CA THR A 151 -11.856 6.440 0.579 1.00 14.54 C ATOM 2372 C THR A 151 -12.868 6.414 1.715 1.00 10.23 C ATOM 2373 O THR A 151 -13.856 5.663 1.648 1.00 54.04 O ATOM 2374 CB THR A 151 -12.339 7.384 -0.539 1.00 72.03 C ATOM 2375 OG1 THR A 151 -13.497 6.816 -1.193 1.00 11.20 O ATOM 2376 CG2 THR A 151 -11.237 7.620 -1.564 1.00 4.55 C ATOM 0 H THR A 151 -12.400 4.795 -0.536 1.00 74.13 H new ATOM 0 HA THR A 151 -10.910 6.808 0.976 1.00 14.54 H new ATOM 0 HB THR A 151 -12.605 8.341 -0.090 1.00 72.03 H new ATOM 0 HG1 THR A 151 -13.802 7.420 -1.902 1.00 11.20 H new ATOM 0 HG21 THR A 151 -11.602 8.289 -2.343 1.00 4.55 H new ATOM 0 HG22 THR A 151 -10.374 8.071 -1.073 1.00 4.55 H new ATOM 0 HG23 THR A 151 -10.945 6.669 -2.010 1.00 4.55 H new