USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 953 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 24 LYS NZ :NH3+ -177:sc= 0.052 (180deg=-0.674) USER MOD Set 1.2: A 29 SER OG : rot -140:sc= 0.933 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -154:sc= -2.33 (180deg=-4.62!) USER MOD Single : A 34 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0123) USER MOD Single : A 35 TYR OH : rot 157:sc= 0.286 USER MOD Single : A 39 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.41) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.00076) USER MOD Single : A 47 SER OG : rot -179:sc= -0.239 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 169:sc=-0.00365 (180deg=-0.164) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -1.27 F(o=-2.9,f=-1.3) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.735 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= 0.54 (180deg=0.269) USER MOD Single : A 73 MET CE :methyl -114:sc= -3.65! (180deg=-6.22!) USER MOD Single : A 79 ASN : amide:sc= -0.646 X(o=-0.65,f=-0.48) USER MOD Single : A 80 SER OG : rot 180:sc= -0.412 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.0238 F(o=-0.74,f=-0.024) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0698) USER MOD Single : A 97 THR OG1 : rot 98:sc= 1.23 USER MOD Single : A 101 GLN : amide:sc= -0.438 X(o=-0.44,f=0) USER MOD Single : A 106 ASN : amide:sc= -1.45 K(o=-1.5,f=-4.3!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot 110:sc= -1.03 USER MOD Single : A 122 MET CE :methyl -152:sc= -0.771 (180deg=-2.42!) USER MOD Single : A 125 CYS SG : rot 180:sc= -0.258 USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 6 6.543 -1.279 -12.657 1.00 64.42 N ATOM 82 CA ILE A 6 7.958 -1.599 -12.804 1.00 40.43 C ATOM 83 C ILE A 6 8.776 -1.010 -11.660 1.00 63.00 C ATOM 84 O ILE A 6 9.829 -1.537 -11.301 1.00 51.22 O ATOM 85 CB ILE A 6 8.517 -1.077 -14.141 1.00 72.04 C ATOM 86 CG1 ILE A 6 8.121 0.386 -14.348 1.00 43.52 C ATOM 87 CG2 ILE A 6 8.017 -1.934 -15.295 1.00 24.54 C ATOM 88 CD1 ILE A 6 8.976 1.105 -15.368 1.00 43.13 C ATOM 0 HA ILE A 6 8.040 -2.686 -12.785 1.00 40.43 H new ATOM 0 HB ILE A 6 9.605 -1.139 -14.112 1.00 72.04 H new ATOM 0 HG12 ILE A 6 7.079 0.431 -14.663 1.00 43.52 H new ATOM 0 HG13 ILE A 6 8.188 0.911 -13.395 1.00 43.52 H new ATOM 0 HG21 ILE A 6 8.421 -1.553 -16.233 1.00 24.54 H new ATOM 0 HG22 ILE A 6 8.344 -2.964 -15.152 1.00 24.54 H new ATOM 0 HG23 ILE A 6 6.928 -1.900 -15.328 1.00 24.54 H new ATOM 0 HD11 ILE A 6 8.638 2.137 -15.463 1.00 43.13 H new ATOM 0 HD12 ILE A 6 10.017 1.092 -15.044 1.00 43.13 H new ATOM 0 HD13 ILE A 6 8.890 0.605 -16.333 1.00 43.13 H new ATOM 100 N ALA A 7 8.284 0.085 -11.090 1.00 32.33 N ATOM 101 CA ALA A 7 8.967 0.743 -9.983 1.00 70.02 C ATOM 102 C ALA A 7 9.163 -0.214 -8.812 1.00 14.42 C ATOM 103 O ALA A 7 10.203 -0.202 -8.156 1.00 22.25 O ATOM 104 CB ALA A 7 8.189 1.972 -9.539 1.00 14.52 C ATOM 0 H ALA A 7 7.415 0.535 -11.377 1.00 32.33 H new ATOM 0 HA ALA A 7 9.952 1.056 -10.330 1.00 70.02 H new ATOM 0 HB1 ALA A 7 8.710 2.453 -8.712 1.00 14.52 H new ATOM 0 HB2 ALA A 7 8.106 2.671 -10.372 1.00 14.52 H new ATOM 0 HB3 ALA A 7 7.192 1.674 -9.215 1.00 14.52 H new ATOM 110 N GLY A 8 8.154 -1.041 -8.554 1.00 41.03 N ATOM 111 CA GLY A 8 8.235 -1.992 -7.461 1.00 43.20 C ATOM 112 C GLY A 8 9.102 -3.189 -7.797 1.00 70.22 C ATOM 113 O GLY A 8 9.776 -3.740 -6.926 1.00 74.10 O ATOM 0 H GLY A 8 7.282 -1.069 -9.083 1.00 41.03 H new ATOM 0 HA2 GLY A 8 8.636 -1.493 -6.579 1.00 43.20 H new ATOM 0 HA3 GLY A 8 7.232 -2.334 -7.206 1.00 43.20 H new ATOM 117 N ILE A 9 9.084 -3.594 -9.063 1.00 1.23 N ATOM 118 CA ILE A 9 9.874 -4.734 -9.511 1.00 11.12 C ATOM 119 C ILE A 9 11.350 -4.368 -9.629 1.00 55.24 C ATOM 120 O ILE A 9 12.227 -5.211 -9.437 1.00 40.34 O ATOM 121 CB ILE A 9 9.377 -5.264 -10.869 1.00 4.20 C ATOM 122 CG1 ILE A 9 7.968 -5.844 -10.730 1.00 43.24 C ATOM 123 CG2 ILE A 9 10.337 -6.313 -11.411 1.00 51.42 C ATOM 124 CD1 ILE A 9 6.873 -4.856 -11.065 1.00 74.11 C ATOM 0 H ILE A 9 8.531 -3.150 -9.796 1.00 1.23 H new ATOM 0 HA ILE A 9 9.755 -5.515 -8.760 1.00 11.12 H new ATOM 0 HB ILE A 9 9.340 -4.434 -11.575 1.00 4.20 H new ATOM 0 HG12 ILE A 9 7.875 -6.712 -11.382 1.00 43.24 H new ATOM 0 HG13 ILE A 9 7.828 -6.197 -9.708 1.00 43.24 H new ATOM 0 HG21 ILE A 9 9.973 -6.678 -12.371 1.00 51.42 H new ATOM 0 HG22 ILE A 9 11.324 -5.870 -11.542 1.00 51.42 H new ATOM 0 HG23 ILE A 9 10.403 -7.144 -10.708 1.00 51.42 H new ATOM 0 HD11 ILE A 9 5.901 -5.335 -10.945 1.00 74.11 H new ATOM 0 HD12 ILE A 9 6.940 -3.998 -10.396 1.00 74.11 H new ATOM 0 HD13 ILE A 9 6.988 -4.522 -12.096 1.00 74.11 H new ATOM 136 N LEU A 10 11.617 -3.105 -9.945 1.00 35.40 N ATOM 137 CA LEU A 10 12.987 -2.626 -10.087 1.00 51.23 C ATOM 138 C LEU A 10 13.562 -2.212 -8.737 1.00 1.05 C ATOM 139 O LEU A 10 14.774 -2.263 -8.523 1.00 31.01 O ATOM 140 CB LEU A 10 13.037 -1.445 -11.059 1.00 34.31 C ATOM 141 CG LEU A 10 12.924 -0.055 -10.432 1.00 65.01 C ATOM 142 CD1 LEU A 10 14.295 0.455 -10.016 1.00 44.34 C ATOM 143 CD2 LEU A 10 12.264 0.915 -11.401 1.00 35.13 C ATOM 0 H LEU A 10 10.903 -2.395 -10.108 1.00 35.40 H new ATOM 0 HA LEU A 10 13.591 -3.442 -10.484 1.00 51.23 H new ATOM 0 HB2 LEU A 10 13.974 -1.496 -11.614 1.00 34.31 H new ATOM 0 HB3 LEU A 10 12.231 -1.562 -11.783 1.00 34.31 H new ATOM 0 HG LEU A 10 12.300 -0.128 -9.541 1.00 65.01 H new ATOM 0 HD11 LEU A 10 14.195 1.445 -9.572 1.00 44.34 H new ATOM 0 HD12 LEU A 10 14.731 -0.228 -9.287 1.00 44.34 H new ATOM 0 HD13 LEU A 10 14.942 0.513 -10.891 1.00 44.34 H new ATOM 0 HD21 LEU A 10 12.192 1.899 -10.938 1.00 35.13 H new ATOM 0 HD22 LEU A 10 12.862 0.984 -12.310 1.00 35.13 H new ATOM 0 HD23 LEU A 10 11.265 0.557 -11.650 1.00 35.13 H new ATOM 155 N THR A 11 12.684 -1.803 -7.825 1.00 63.53 N ATOM 156 CA THR A 11 13.104 -1.382 -6.495 1.00 20.02 C ATOM 157 C THR A 11 13.195 -2.571 -5.545 1.00 14.44 C ATOM 158 O THR A 11 13.876 -2.509 -4.521 1.00 51.13 O ATOM 159 CB THR A 11 12.136 -0.340 -5.904 1.00 51.32 C ATOM 160 OG1 THR A 11 12.770 0.365 -4.831 1.00 51.10 O ATOM 161 CG2 THR A 11 10.865 -1.006 -5.399 1.00 63.51 C ATOM 0 H THR A 11 11.678 -1.755 -7.984 1.00 63.53 H new ATOM 0 HA THR A 11 14.090 -0.931 -6.603 1.00 20.02 H new ATOM 0 HB THR A 11 11.869 0.363 -6.693 1.00 51.32 H new ATOM 0 HG1 THR A 11 12.148 1.027 -4.462 1.00 51.10 H new ATOM 0 HG21 THR A 11 10.197 -0.250 -4.986 1.00 63.51 H new ATOM 0 HG22 THR A 11 10.369 -1.516 -6.225 1.00 63.51 H new ATOM 0 HG23 THR A 11 11.117 -1.730 -4.624 1.00 63.51 H new ATOM 169 N SER A 12 12.504 -3.652 -5.890 1.00 33.40 N ATOM 170 CA SER A 12 12.504 -4.855 -5.065 1.00 70.03 C ATOM 171 C SER A 12 13.695 -5.746 -5.405 1.00 30.14 C ATOM 172 O SER A 12 14.599 -5.933 -4.589 1.00 51.32 O ATOM 173 CB SER A 12 11.200 -5.632 -5.259 1.00 1.35 C ATOM 174 OG SER A 12 11.128 -6.735 -4.373 1.00 32.34 O ATOM 0 H SER A 12 11.937 -3.720 -6.735 1.00 33.40 H new ATOM 0 HA SER A 12 12.586 -4.551 -4.022 1.00 70.03 H new ATOM 0 HB2 SER A 12 10.350 -4.970 -5.091 1.00 1.35 H new ATOM 0 HB3 SER A 12 11.132 -5.983 -6.289 1.00 1.35 H new ATOM 0 HG SER A 12 10.285 -7.214 -4.515 1.00 32.34 H new ATOM 180 N THR A 13 13.689 -6.295 -6.615 1.00 64.33 N ATOM 181 CA THR A 13 14.767 -7.168 -7.064 1.00 2.22 C ATOM 182 C THR A 13 15.315 -6.716 -8.412 1.00 44.34 C ATOM 183 O THR A 13 14.557 -6.354 -9.312 1.00 13.22 O ATOM 184 CB THR A 13 14.296 -8.630 -7.178 1.00 53.31 C ATOM 185 OG1 THR A 13 13.373 -8.931 -6.125 1.00 43.21 O ATOM 186 CG2 THR A 13 15.477 -9.586 -7.113 1.00 41.10 C ATOM 0 H THR A 13 12.949 -6.151 -7.302 1.00 64.33 H new ATOM 0 HA THR A 13 15.556 -7.106 -6.315 1.00 2.22 H new ATOM 0 HB THR A 13 13.801 -8.755 -8.141 1.00 53.31 H new ATOM 0 HG1 THR A 13 13.077 -9.862 -6.206 1.00 43.21 H new ATOM 0 HG21 THR A 13 15.119 -10.612 -7.196 1.00 41.10 H new ATOM 0 HG22 THR A 13 16.163 -9.374 -7.933 1.00 41.10 H new ATOM 0 HG23 THR A 13 15.997 -9.458 -6.163 1.00 41.10 H new ATOM 194 N ARG A 14 16.637 -6.740 -8.547 1.00 4.54 N ATOM 195 CA ARG A 14 17.287 -6.331 -9.786 1.00 61.33 C ATOM 196 C ARG A 14 17.945 -7.524 -10.474 1.00 31.23 C ATOM 197 O ARG A 14 19.009 -7.985 -10.059 1.00 42.24 O ATOM 198 CB ARG A 14 18.332 -5.250 -9.507 1.00 44.21 C ATOM 199 CG ARG A 14 19.230 -5.562 -8.321 1.00 64.33 C ATOM 200 CD ARG A 14 18.684 -4.962 -7.035 1.00 43.45 C ATOM 201 NE ARG A 14 19.751 -4.572 -6.117 1.00 41.13 N ATOM 202 CZ ARG A 14 19.533 -4.096 -4.897 1.00 15.25 C ATOM 203 NH1 ARG A 14 18.293 -3.952 -4.450 1.00 14.13 N ATOM 204 NH2 ARG A 14 20.556 -3.763 -4.120 1.00 34.22 N ATOM 0 H ARG A 14 17.279 -7.039 -7.813 1.00 4.54 H new ATOM 0 HA ARG A 14 16.524 -5.925 -10.450 1.00 61.33 H new ATOM 0 HB2 ARG A 14 18.950 -5.117 -10.395 1.00 44.21 H new ATOM 0 HB3 ARG A 14 17.823 -4.303 -9.327 1.00 44.21 H new ATOM 0 HG2 ARG A 14 19.324 -6.642 -8.209 1.00 64.33 H new ATOM 0 HG3 ARG A 14 20.231 -5.173 -8.509 1.00 64.33 H new ATOM 0 HD2 ARG A 14 18.073 -4.091 -7.272 1.00 43.45 H new ATOM 0 HD3 ARG A 14 18.031 -5.685 -6.546 1.00 43.45 H new ATOM 0 HE ARG A 14 20.717 -4.671 -6.430 1.00 41.13 H new ATOM 0 HH11 ARG A 14 17.504 -4.207 -5.044 1.00 14.13 H new ATOM 0 HH12 ARG A 14 18.128 -3.586 -3.512 1.00 14.13 H new ATOM 0 HH21 ARG A 14 21.511 -3.873 -4.460 1.00 34.22 H new ATOM 0 HH22 ARG A 14 20.387 -3.397 -3.183 1.00 34.22 H new ATOM 218 N THR A 15 17.304 -8.021 -11.527 1.00 73.40 N ATOM 219 CA THR A 15 17.825 -9.161 -12.271 1.00 33.11 C ATOM 220 C THR A 15 17.632 -8.973 -13.771 1.00 42.14 C ATOM 221 O THR A 15 16.523 -8.708 -14.236 1.00 32.43 O ATOM 222 CB THR A 15 17.144 -10.473 -11.838 1.00 72.31 C ATOM 223 OG1 THR A 15 17.433 -10.744 -10.462 1.00 72.51 O ATOM 224 CG2 THR A 15 17.613 -11.636 -12.699 1.00 25.20 C ATOM 0 H THR A 15 16.423 -7.652 -11.884 1.00 73.40 H new ATOM 0 HA THR A 15 18.890 -9.223 -12.049 1.00 33.11 H new ATOM 0 HB THR A 15 16.068 -10.358 -11.967 1.00 72.31 H new ATOM 0 HG1 THR A 15 16.995 -11.579 -10.194 1.00 72.51 H new ATOM 0 HG21 THR A 15 17.119 -12.552 -12.374 1.00 25.20 H new ATOM 0 HG22 THR A 15 17.365 -11.440 -13.742 1.00 25.20 H new ATOM 0 HG23 THR A 15 18.692 -11.751 -12.598 1.00 25.20 H new ATOM 232 N ILE A 16 18.718 -9.111 -14.524 1.00 61.34 N ATOM 233 CA ILE A 16 18.667 -8.958 -15.973 1.00 61.11 C ATOM 234 C ILE A 16 19.050 -10.255 -16.677 1.00 21.41 C ATOM 235 O ILE A 16 19.973 -10.953 -16.256 1.00 51.44 O ATOM 236 CB ILE A 16 19.601 -7.832 -16.453 1.00 41.42 C ATOM 237 CG1 ILE A 16 19.255 -6.518 -15.750 1.00 12.32 C ATOM 238 CG2 ILE A 16 19.505 -7.672 -17.963 1.00 42.41 C ATOM 239 CD1 ILE A 16 19.978 -6.328 -14.435 1.00 13.53 C ATOM 0 H ILE A 16 19.644 -9.328 -14.155 1.00 61.34 H new ATOM 0 HA ILE A 16 17.639 -8.700 -16.227 1.00 61.11 H new ATOM 0 HB ILE A 16 20.627 -8.099 -16.200 1.00 41.42 H new ATOM 0 HG12 ILE A 16 19.497 -5.686 -16.412 1.00 12.32 H new ATOM 0 HG13 ILE A 16 18.180 -6.482 -15.573 1.00 12.32 H new ATOM 0 HG21 ILE A 16 20.171 -6.872 -18.287 1.00 42.41 H new ATOM 0 HG22 ILE A 16 19.795 -8.605 -18.447 1.00 42.41 H new ATOM 0 HG23 ILE A 16 18.480 -7.424 -18.238 1.00 42.41 H new ATOM 0 HD11 ILE A 16 19.685 -5.376 -13.993 1.00 13.53 H new ATOM 0 HD12 ILE A 16 19.717 -7.139 -13.756 1.00 13.53 H new ATOM 0 HD13 ILE A 16 21.054 -6.331 -14.608 1.00 13.53 H new ATOM 251 N ALA A 17 18.336 -10.572 -17.752 1.00 32.20 N ATOM 252 CA ALA A 17 18.603 -11.784 -18.517 1.00 42.41 C ATOM 253 C ALA A 17 18.908 -11.456 -19.975 1.00 20.21 C ATOM 254 O ALA A 17 18.181 -10.697 -20.617 1.00 14.04 O ATOM 255 CB ALA A 17 17.422 -12.738 -18.424 1.00 51.04 C ATOM 0 H ALA A 17 17.568 -10.006 -18.113 1.00 32.20 H new ATOM 0 HA ALA A 17 19.481 -12.268 -18.089 1.00 42.41 H new ATOM 0 HB1 ALA A 17 17.635 -13.638 -19.000 1.00 51.04 H new ATOM 0 HB2 ALA A 17 17.252 -13.006 -17.381 1.00 51.04 H new ATOM 0 HB3 ALA A 17 16.531 -12.254 -18.824 1.00 51.04 H new ATOM 261 N LEU A 18 19.987 -12.032 -20.492 1.00 64.25 N ATOM 262 CA LEU A 18 20.389 -11.801 -21.876 1.00 2.13 C ATOM 263 C LEU A 18 20.006 -12.984 -22.759 1.00 43.00 C ATOM 264 O LEU A 18 20.217 -14.140 -22.392 1.00 35.11 O ATOM 265 CB LEU A 18 21.897 -11.557 -21.955 1.00 62.25 C ATOM 266 CG LEU A 18 22.532 -11.723 -23.337 1.00 32.53 C ATOM 267 CD1 LEU A 18 21.956 -10.711 -24.314 1.00 41.41 C ATOM 268 CD2 LEU A 18 24.045 -11.583 -23.249 1.00 15.40 C ATOM 0 H LEU A 18 20.600 -12.662 -19.975 1.00 64.25 H new ATOM 0 HA LEU A 18 19.865 -10.917 -22.239 1.00 2.13 H new ATOM 0 HB2 LEU A 18 22.100 -10.546 -21.603 1.00 62.25 H new ATOM 0 HB3 LEU A 18 22.392 -12.240 -21.265 1.00 62.25 H new ATOM 0 HG LEU A 18 22.301 -12.723 -23.704 1.00 32.53 H new ATOM 0 HD11 LEU A 18 22.420 -10.844 -25.291 1.00 41.41 H new ATOM 0 HD12 LEU A 18 20.880 -10.860 -24.400 1.00 41.41 H new ATOM 0 HD13 LEU A 18 22.155 -9.702 -23.953 1.00 41.41 H new ATOM 0 HD21 LEU A 18 24.480 -11.704 -24.241 1.00 15.40 H new ATOM 0 HD22 LEU A 18 24.297 -10.596 -22.860 1.00 15.40 H new ATOM 0 HD23 LEU A 18 24.443 -12.348 -22.583 1.00 15.40 H new ATOM 280 N VAL A 19 19.445 -12.687 -23.927 1.00 12.13 N ATOM 281 CA VAL A 19 19.036 -13.726 -24.865 1.00 14.54 C ATOM 282 C VAL A 19 19.926 -13.730 -26.102 1.00 55.14 C ATOM 283 O VAL A 19 20.208 -12.681 -26.680 1.00 64.22 O ATOM 284 CB VAL A 19 17.570 -13.542 -25.300 1.00 73.53 C ATOM 285 CG1 VAL A 19 17.171 -14.618 -26.299 1.00 61.12 C ATOM 286 CG2 VAL A 19 16.648 -13.560 -24.090 1.00 5.51 C ATOM 0 H VAL A 19 19.263 -11.735 -24.246 1.00 12.13 H new ATOM 0 HA VAL A 19 19.136 -14.680 -24.347 1.00 14.54 H new ATOM 0 HB VAL A 19 17.473 -12.572 -25.787 1.00 73.53 H new ATOM 0 HG11 VAL A 19 16.132 -14.472 -26.595 1.00 61.12 H new ATOM 0 HG12 VAL A 19 17.812 -14.553 -27.179 1.00 61.12 H new ATOM 0 HG13 VAL A 19 17.283 -15.600 -25.840 1.00 61.12 H new ATOM 0 HG21 VAL A 19 15.616 -13.429 -24.417 1.00 5.51 H new ATOM 0 HG22 VAL A 19 16.746 -14.514 -23.572 1.00 5.51 H new ATOM 0 HG23 VAL A 19 16.920 -12.750 -23.413 1.00 5.51 H new ATOM 296 N GLY A 20 20.364 -14.919 -26.505 1.00 43.32 N ATOM 297 CA GLY A 20 21.218 -15.038 -27.673 1.00 13.21 C ATOM 298 C GLY A 20 22.632 -14.562 -27.408 1.00 43.11 C ATOM 299 O GLY A 20 23.207 -13.826 -28.209 1.00 52.44 O ATOM 0 H GLY A 20 20.143 -15.802 -26.044 1.00 43.32 H new ATOM 0 HA2 GLY A 20 21.243 -16.079 -27.997 1.00 13.21 H new ATOM 0 HA3 GLY A 20 20.791 -14.460 -28.492 1.00 13.21 H new ATOM 303 N ALA A 21 23.195 -14.982 -26.280 1.00 32.04 N ATOM 304 CA ALA A 21 24.551 -14.594 -25.912 1.00 32.35 C ATOM 305 C ALA A 21 25.582 -15.327 -26.764 1.00 13.32 C ATOM 306 O ALA A 21 25.795 -16.528 -26.601 1.00 4.14 O ATOM 307 CB ALA A 21 24.795 -14.866 -24.435 1.00 30.34 C ATOM 0 H ALA A 21 22.733 -15.591 -25.605 1.00 32.04 H new ATOM 0 HA ALA A 21 24.659 -13.525 -26.096 1.00 32.35 H new ATOM 0 HB1 ALA A 21 25.811 -14.572 -24.174 1.00 30.34 H new ATOM 0 HB2 ALA A 21 24.086 -14.293 -23.838 1.00 30.34 H new ATOM 0 HB3 ALA A 21 24.662 -15.929 -24.234 1.00 30.34 H new ATOM 313 N SER A 22 26.218 -14.596 -27.674 1.00 14.44 N ATOM 314 CA SER A 22 27.223 -15.177 -28.555 1.00 22.30 C ATOM 315 C SER A 22 28.572 -14.488 -28.370 1.00 73.01 C ATOM 316 O SER A 22 28.750 -13.683 -27.456 1.00 34.03 O ATOM 317 CB SER A 22 26.777 -15.068 -30.014 1.00 45.24 C ATOM 318 OG SER A 22 25.641 -15.878 -30.263 1.00 4.41 O ATOM 0 H SER A 22 26.055 -13.600 -27.820 1.00 14.44 H new ATOM 0 HA SER A 22 27.334 -16.230 -28.294 1.00 22.30 H new ATOM 0 HB2 SER A 22 26.545 -14.029 -30.250 1.00 45.24 H new ATOM 0 HB3 SER A 22 27.593 -15.370 -30.670 1.00 45.24 H new ATOM 0 HG SER A 22 25.375 -15.789 -31.202 1.00 4.41 H new ATOM 324 N ASP A 23 29.518 -14.810 -29.245 1.00 22.13 N ATOM 325 CA ASP A 23 30.851 -14.222 -29.180 1.00 22.10 C ATOM 326 C ASP A 23 30.989 -13.078 -30.179 1.00 2.51 C ATOM 327 O ASP A 23 31.974 -12.995 -30.913 1.00 2.10 O ATOM 328 CB ASP A 23 31.915 -15.286 -29.454 1.00 61.23 C ATOM 329 CG ASP A 23 33.316 -14.797 -29.146 1.00 4.23 C ATOM 330 OD1 ASP A 23 33.474 -14.018 -28.182 1.00 44.44 O ATOM 331 OD2 ASP A 23 34.255 -15.194 -29.867 1.00 2.41 O ATOM 0 H ASP A 23 29.387 -15.475 -30.007 1.00 22.13 H new ATOM 0 HA ASP A 23 30.997 -13.824 -28.176 1.00 22.10 H new ATOM 0 HB2 ASP A 23 31.702 -16.171 -28.854 1.00 61.23 H new ATOM 0 HB3 ASP A 23 31.861 -15.589 -30.500 1.00 61.23 H new ATOM 336 N LYS A 24 29.995 -12.196 -30.202 1.00 61.33 N ATOM 337 CA LYS A 24 30.004 -11.056 -31.111 1.00 2.35 C ATOM 338 C LYS A 24 30.163 -9.748 -30.341 1.00 31.54 C ATOM 339 O LYS A 24 29.203 -9.011 -30.117 1.00 75.22 O ATOM 340 CB LYS A 24 28.714 -11.022 -31.933 1.00 62.11 C ATOM 341 CG LYS A 24 27.508 -11.575 -31.195 1.00 35.32 C ATOM 342 CD LYS A 24 27.209 -10.777 -29.937 1.00 24.13 C ATOM 343 CE LYS A 24 25.987 -11.318 -29.210 1.00 44.31 C ATOM 344 NZ LYS A 24 24.719 -10.866 -29.846 1.00 40.12 N ATOM 0 H LYS A 24 29.173 -12.249 -29.601 1.00 61.33 H new ATOM 0 HA LYS A 24 30.854 -11.167 -31.785 1.00 2.35 H new ATOM 0 HB2 LYS A 24 28.508 -9.993 -32.228 1.00 62.11 H new ATOM 0 HB3 LYS A 24 28.862 -11.593 -32.849 1.00 62.11 H new ATOM 0 HG2 LYS A 24 26.639 -11.558 -31.853 1.00 35.32 H new ATOM 0 HG3 LYS A 24 27.688 -12.617 -30.931 1.00 35.32 H new ATOM 0 HD2 LYS A 24 28.072 -10.807 -29.272 1.00 24.13 H new ATOM 0 HD3 LYS A 24 27.045 -9.732 -30.199 1.00 24.13 H new ATOM 0 HE2 LYS A 24 26.021 -12.407 -29.203 1.00 44.31 H new ATOM 0 HE3 LYS A 24 26.009 -10.991 -28.170 1.00 44.31 H new ATOM 0 HZ1 LYS A 24 23.910 -11.213 -29.292 1.00 40.12 H new ATOM 0 HZ2 LYS A 24 24.697 -9.827 -29.876 1.00 40.12 H new ATOM 0 HZ3 LYS A 24 24.663 -11.242 -30.814 1.00 40.12 H new ATOM 358 N PRO A 25 31.403 -9.452 -29.926 1.00 5.22 N ATOM 359 CA PRO A 25 31.717 -8.231 -29.177 1.00 30.54 C ATOM 360 C PRO A 25 31.599 -6.977 -30.036 1.00 32.33 C ATOM 361 O PRO A 25 31.854 -5.867 -29.569 1.00 22.12 O ATOM 362 CB PRO A 25 33.168 -8.446 -28.740 1.00 65.15 C ATOM 363 CG PRO A 25 33.732 -9.388 -29.748 1.00 55.11 C ATOM 364 CD PRO A 25 32.596 -10.285 -30.157 1.00 13.42 C ATOM 0 HA PRO A 25 31.027 -8.073 -28.348 1.00 30.54 H new ATOM 0 HB2 PRO A 25 33.720 -7.506 -28.724 1.00 65.15 H new ATOM 0 HB3 PRO A 25 33.221 -8.864 -27.735 1.00 65.15 H new ATOM 0 HG2 PRO A 25 34.131 -8.848 -30.606 1.00 55.11 H new ATOM 0 HG3 PRO A 25 34.553 -9.966 -29.325 1.00 55.11 H new ATOM 0 HD2 PRO A 25 32.679 -10.588 -31.201 1.00 13.42 H new ATOM 0 HD3 PRO A 25 32.570 -11.198 -29.562 1.00 13.42 H new ATOM 372 N ASP A 26 31.210 -7.161 -31.293 1.00 21.34 N ATOM 373 CA ASP A 26 31.057 -6.044 -32.217 1.00 15.11 C ATOM 374 C ASP A 26 29.590 -5.644 -32.347 1.00 41.01 C ATOM 375 O ASP A 26 29.224 -4.867 -33.229 1.00 64.24 O ATOM 376 CB ASP A 26 31.622 -6.409 -33.590 1.00 44.32 C ATOM 377 CG ASP A 26 33.123 -6.207 -33.670 1.00 52.13 C ATOM 378 OD1 ASP A 26 33.564 -5.039 -33.687 1.00 51.03 O ATOM 379 OD2 ASP A 26 33.856 -7.217 -33.717 1.00 20.11 O ATOM 0 H ASP A 26 30.995 -8.073 -31.695 1.00 21.34 H new ATOM 0 HA ASP A 26 31.613 -5.196 -31.818 1.00 15.11 H new ATOM 0 HB2 ASP A 26 31.386 -7.450 -33.812 1.00 44.32 H new ATOM 0 HB3 ASP A 26 31.135 -5.802 -34.353 1.00 44.32 H new ATOM 384 N ARG A 27 28.755 -6.181 -31.464 1.00 0.35 N ATOM 385 CA ARG A 27 27.328 -5.882 -31.481 1.00 42.33 C ATOM 386 C ARG A 27 26.893 -5.228 -30.173 1.00 24.12 C ATOM 387 O ARG A 27 27.583 -5.299 -29.156 1.00 4.04 O ATOM 388 CB ARG A 27 26.521 -7.159 -31.719 1.00 34.13 C ATOM 389 CG ARG A 27 26.048 -7.323 -33.154 1.00 11.20 C ATOM 390 CD ARG A 27 27.210 -7.599 -34.095 1.00 40.01 C ATOM 391 NE ARG A 27 27.498 -6.457 -34.959 1.00 71.20 N ATOM 392 CZ ARG A 27 26.726 -6.093 -35.977 1.00 10.53 C ATOM 393 NH1 ARG A 27 25.625 -6.776 -36.256 1.00 72.20 N ATOM 394 NH2 ARG A 27 27.055 -5.042 -36.717 1.00 53.41 N ATOM 0 H ARG A 27 29.042 -6.826 -30.727 1.00 0.35 H new ATOM 0 HA ARG A 27 27.139 -5.183 -32.296 1.00 42.33 H new ATOM 0 HB2 ARG A 27 27.131 -8.020 -31.446 1.00 34.13 H new ATOM 0 HB3 ARG A 27 25.655 -7.160 -31.058 1.00 34.13 H new ATOM 0 HG2 ARG A 27 25.330 -8.141 -33.210 1.00 11.20 H new ATOM 0 HG3 ARG A 27 25.527 -6.420 -33.472 1.00 11.20 H new ATOM 0 HD2 ARG A 27 28.098 -7.846 -33.512 1.00 40.01 H new ATOM 0 HD3 ARG A 27 26.980 -8.469 -34.709 1.00 40.01 H new ATOM 0 HE ARG A 27 28.338 -5.909 -34.770 1.00 71.20 H new ATOM 0 HH11 ARG A 27 25.368 -7.584 -35.688 1.00 72.20 H new ATOM 0 HH12 ARG A 27 25.034 -6.494 -37.038 1.00 72.20 H new ATOM 0 HH21 ARG A 27 27.901 -4.513 -36.504 1.00 53.41 H new ATOM 0 HH22 ARG A 27 26.462 -4.763 -37.499 1.00 53.41 H new ATOM 408 N PRO A 28 25.722 -4.575 -30.198 1.00 31.43 N ATOM 409 CA PRO A 28 25.169 -3.897 -29.022 1.00 53.41 C ATOM 410 C PRO A 28 24.711 -4.878 -27.948 1.00 40.42 C ATOM 411 O PRO A 28 24.409 -4.483 -26.822 1.00 23.22 O ATOM 412 CB PRO A 28 23.973 -3.126 -29.587 1.00 72.23 C ATOM 413 CG PRO A 28 23.575 -3.885 -30.806 1.00 31.31 C ATOM 414 CD PRO A 28 24.847 -4.450 -31.375 1.00 73.44 C ATOM 0 HA PRO A 28 25.909 -3.264 -28.531 1.00 53.41 H new ATOM 0 HB2 PRO A 28 23.157 -3.078 -28.866 1.00 72.23 H new ATOM 0 HB3 PRO A 28 24.244 -2.099 -29.831 1.00 72.23 H new ATOM 0 HG2 PRO A 28 22.871 -4.680 -30.559 1.00 31.31 H new ATOM 0 HG3 PRO A 28 23.080 -3.234 -31.527 1.00 31.31 H new ATOM 0 HD2 PRO A 28 24.679 -5.414 -31.855 1.00 73.44 H new ATOM 0 HD3 PRO A 28 25.278 -3.790 -32.128 1.00 73.44 H new ATOM 422 N SER A 29 24.662 -6.157 -28.304 1.00 62.31 N ATOM 423 CA SER A 29 24.238 -7.195 -27.371 1.00 50.42 C ATOM 424 C SER A 29 25.354 -7.528 -26.385 1.00 54.13 C ATOM 425 O SER A 29 25.096 -7.963 -25.263 1.00 11.23 O ATOM 426 CB SER A 29 23.821 -8.455 -28.132 1.00 12.32 C ATOM 427 OG SER A 29 23.829 -8.232 -29.531 1.00 44.13 O ATOM 0 H SER A 29 24.911 -6.500 -29.232 1.00 62.31 H new ATOM 0 HA SER A 29 23.382 -6.818 -26.811 1.00 50.42 H new ATOM 0 HB2 SER A 29 24.499 -9.273 -27.887 1.00 12.32 H new ATOM 0 HB3 SER A 29 22.824 -8.762 -27.815 1.00 12.32 H new ATOM 0 HG SER A 29 23.056 -8.677 -29.938 1.00 44.13 H new ATOM 433 N TYR A 30 26.594 -7.321 -26.813 1.00 51.34 N ATOM 434 CA TYR A 30 27.750 -7.601 -25.971 1.00 22.04 C ATOM 435 C TYR A 30 28.102 -6.393 -25.108 1.00 55.42 C ATOM 436 O TYR A 30 28.344 -6.522 -23.908 1.00 40.21 O ATOM 437 CB TYR A 30 28.952 -7.994 -26.832 1.00 11.15 C ATOM 438 CG TYR A 30 29.956 -8.863 -26.109 1.00 2.02 C ATOM 439 CD1 TYR A 30 30.583 -8.418 -24.951 1.00 60.31 C ATOM 440 CD2 TYR A 30 30.279 -10.128 -26.584 1.00 2.11 C ATOM 441 CE1 TYR A 30 31.502 -9.208 -24.288 1.00 32.43 C ATOM 442 CE2 TYR A 30 31.196 -10.925 -25.926 1.00 74.53 C ATOM 443 CZ TYR A 30 31.804 -10.461 -24.779 1.00 24.31 C ATOM 444 OH TYR A 30 32.719 -11.252 -24.122 1.00 32.12 O ATOM 0 H TYR A 30 26.824 -6.960 -27.739 1.00 51.34 H new ATOM 0 HA TYR A 30 27.495 -8.432 -25.314 1.00 22.04 H new ATOM 0 HB2 TYR A 30 28.597 -8.522 -27.717 1.00 11.15 H new ATOM 0 HB3 TYR A 30 29.451 -7.089 -27.180 1.00 11.15 H new ATOM 0 HD1 TYR A 30 30.348 -7.438 -24.563 1.00 60.31 H new ATOM 0 HD2 TYR A 30 29.805 -10.495 -27.483 1.00 2.11 H new ATOM 0 HE1 TYR A 30 31.981 -8.847 -23.390 1.00 32.43 H new ATOM 0 HE2 TYR A 30 31.435 -11.906 -26.308 1.00 74.53 H new ATOM 0 HH TYR A 30 32.816 -12.103 -24.597 1.00 32.12 H new ATOM 454 N ARG A 31 28.126 -5.218 -25.729 1.00 42.12 N ATOM 455 CA ARG A 31 28.448 -3.985 -25.020 1.00 61.41 C ATOM 456 C ARG A 31 27.558 -3.817 -23.792 1.00 5.41 C ATOM 457 O ARG A 31 27.989 -3.284 -22.769 1.00 52.51 O ATOM 458 CB ARG A 31 28.287 -2.781 -25.949 1.00 43.40 C ATOM 459 CG ARG A 31 26.839 -2.404 -26.213 1.00 14.24 C ATOM 460 CD ARG A 31 26.735 -1.218 -27.158 1.00 53.45 C ATOM 461 NE ARG A 31 27.594 -1.374 -28.329 1.00 1.01 N ATOM 462 CZ ARG A 31 27.923 -0.373 -29.138 1.00 73.33 C ATOM 463 NH1 ARG A 31 27.466 0.850 -28.905 1.00 63.52 N ATOM 464 NH2 ARG A 31 28.710 -0.595 -30.183 1.00 53.24 N ATOM 0 H ARG A 31 27.926 -5.094 -26.722 1.00 42.12 H new ATOM 0 HA ARG A 31 29.485 -4.044 -24.690 1.00 61.41 H new ATOM 0 HB2 ARG A 31 28.803 -1.925 -25.513 1.00 43.40 H new ATOM 0 HB3 ARG A 31 28.776 -2.998 -26.899 1.00 43.40 H new ATOM 0 HG2 ARG A 31 26.312 -3.257 -26.639 1.00 14.24 H new ATOM 0 HG3 ARG A 31 26.347 -2.164 -25.271 1.00 14.24 H new ATOM 0 HD2 ARG A 31 25.700 -1.101 -27.480 1.00 53.45 H new ATOM 0 HD3 ARG A 31 27.008 -0.306 -26.627 1.00 53.45 H new ATOM 0 HE ARG A 31 27.961 -2.303 -28.537 1.00 1.01 H new ATOM 0 HH11 ARG A 31 26.860 1.024 -28.103 1.00 63.52 H new ATOM 0 HH12 ARG A 31 27.720 1.617 -29.528 1.00 63.52 H new ATOM 0 HH21 ARG A 31 29.063 -1.535 -30.365 1.00 53.24 H new ATOM 0 HH22 ARG A 31 28.962 0.174 -30.804 1.00 53.24 H new ATOM 478 N VAL A 32 26.315 -4.274 -23.901 1.00 1.12 N ATOM 479 CA VAL A 32 25.365 -4.174 -22.800 1.00 33.34 C ATOM 480 C VAL A 32 25.637 -5.237 -21.741 1.00 3.34 C ATOM 481 O VAL A 32 25.509 -4.981 -20.544 1.00 25.34 O ATOM 482 CB VAL A 32 23.914 -4.320 -23.295 1.00 52.15 C ATOM 483 CG1 VAL A 32 22.941 -4.249 -22.128 1.00 52.15 C ATOM 484 CG2 VAL A 32 23.596 -3.252 -24.331 1.00 74.23 C ATOM 0 H VAL A 32 25.942 -4.717 -24.741 1.00 1.12 H new ATOM 0 HA VAL A 32 25.494 -3.185 -22.361 1.00 33.34 H new ATOM 0 HB VAL A 32 23.806 -5.296 -23.767 1.00 52.15 H new ATOM 0 HG11 VAL A 32 21.921 -4.354 -22.498 1.00 52.15 H new ATOM 0 HG12 VAL A 32 23.157 -5.053 -21.425 1.00 52.15 H new ATOM 0 HG13 VAL A 32 23.047 -3.288 -21.624 1.00 52.15 H new ATOM 0 HG21 VAL A 32 22.567 -3.369 -24.670 1.00 74.23 H new ATOM 0 HG22 VAL A 32 23.721 -2.265 -23.886 1.00 74.23 H new ATOM 0 HG23 VAL A 32 24.272 -3.356 -25.180 1.00 74.23 H new ATOM 494 N MET A 33 26.014 -6.429 -22.190 1.00 60.31 N ATOM 495 CA MET A 33 26.307 -7.531 -21.280 1.00 54.23 C ATOM 496 C MET A 33 27.380 -7.133 -20.272 1.00 44.05 C ATOM 497 O MET A 33 27.134 -7.103 -19.067 1.00 22.35 O ATOM 498 CB MET A 33 26.760 -8.763 -22.066 1.00 53.21 C ATOM 499 CG MET A 33 26.309 -10.077 -21.449 1.00 52.21 C ATOM 500 SD MET A 33 27.329 -10.573 -20.048 1.00 5.41 S ATOM 501 CE MET A 33 27.606 -12.302 -20.425 1.00 52.43 C ATOM 0 H MET A 33 26.124 -6.657 -23.178 1.00 60.31 H new ATOM 0 HA MET A 33 25.394 -7.772 -20.735 1.00 54.23 H new ATOM 0 HB2 MET A 33 26.374 -8.697 -23.083 1.00 53.21 H new ATOM 0 HB3 MET A 33 27.848 -8.759 -22.137 1.00 53.21 H new ATOM 0 HG2 MET A 33 25.273 -9.984 -21.124 1.00 52.21 H new ATOM 0 HG3 MET A 33 26.336 -10.859 -22.208 1.00 52.21 H new ATOM 0 HE1 MET A 33 27.796 -12.850 -19.502 1.00 52.43 H new ATOM 0 HE2 MET A 33 26.724 -12.713 -20.916 1.00 52.43 H new ATOM 0 HE3 MET A 33 28.467 -12.397 -21.087 1.00 52.43 H new ATOM 511 N LYS A 34 28.572 -6.828 -20.774 1.00 43.01 N ATOM 512 CA LYS A 34 29.684 -6.431 -19.918 1.00 42.25 C ATOM 513 C LYS A 34 29.353 -5.153 -19.155 1.00 3.44 C ATOM 514 O LYS A 34 29.932 -4.879 -18.103 1.00 31.22 O ATOM 515 CB LYS A 34 30.950 -6.225 -20.754 1.00 74.12 C ATOM 516 CG LYS A 34 32.234 -6.506 -19.993 1.00 14.20 C ATOM 517 CD LYS A 34 32.707 -5.282 -19.227 1.00 50.34 C ATOM 518 CE LYS A 34 34.209 -5.318 -18.991 1.00 61.34 C ATOM 519 NZ LYS A 34 34.972 -4.952 -20.217 1.00 21.04 N ATOM 0 H LYS A 34 28.793 -6.848 -21.770 1.00 43.01 H new ATOM 0 HA LYS A 34 29.858 -7.230 -19.197 1.00 42.25 H new ATOM 0 HB2 LYS A 34 30.907 -6.873 -21.629 1.00 74.12 H new ATOM 0 HB3 LYS A 34 30.971 -5.198 -21.119 1.00 74.12 H new ATOM 0 HG2 LYS A 34 32.074 -7.331 -19.299 1.00 14.20 H new ATOM 0 HG3 LYS A 34 33.010 -6.822 -20.690 1.00 14.20 H new ATOM 0 HD2 LYS A 34 32.446 -4.381 -19.782 1.00 50.34 H new ATOM 0 HD3 LYS A 34 32.188 -5.228 -18.270 1.00 50.34 H new ATOM 0 HE2 LYS A 34 34.466 -4.631 -18.184 1.00 61.34 H new ATOM 0 HE3 LYS A 34 34.502 -6.316 -18.666 1.00 61.34 H new ATOM 0 HZ1 LYS A 34 35.985 -4.889 -19.990 1.00 21.04 H new ATOM 0 HZ2 LYS A 34 34.825 -5.678 -20.947 1.00 21.04 H new ATOM 0 HZ3 LYS A 34 34.639 -4.033 -20.572 1.00 21.04 H new ATOM 533 N TYR A 35 28.419 -4.374 -19.690 1.00 21.45 N ATOM 534 CA TYR A 35 28.012 -3.125 -19.058 1.00 42.44 C ATOM 535 C TYR A 35 27.248 -3.391 -17.765 1.00 2.01 C ATOM 536 O TYR A 35 27.553 -2.815 -16.720 1.00 22.03 O ATOM 537 CB TYR A 35 27.146 -2.304 -20.016 1.00 1.15 C ATOM 538 CG TYR A 35 26.113 -1.449 -19.316 1.00 63.40 C ATOM 539 CD1 TYR A 35 26.495 -0.423 -18.461 1.00 44.14 C ATOM 540 CD2 TYR A 35 24.755 -1.668 -19.511 1.00 30.32 C ATOM 541 CE1 TYR A 35 25.555 0.360 -17.820 1.00 21.43 C ATOM 542 CE2 TYR A 35 23.808 -0.890 -18.874 1.00 54.34 C ATOM 543 CZ TYR A 35 24.213 0.123 -18.030 1.00 34.54 C ATOM 544 OH TYR A 35 23.273 0.901 -17.393 1.00 72.34 O ATOM 0 H TYR A 35 27.930 -4.586 -20.560 1.00 21.45 H new ATOM 0 HA TYR A 35 28.912 -2.560 -18.816 1.00 42.44 H new ATOM 0 HB2 TYR A 35 27.791 -1.662 -20.616 1.00 1.15 H new ATOM 0 HB3 TYR A 35 26.640 -2.980 -20.705 1.00 1.15 H new ATOM 0 HD1 TYR A 35 27.545 -0.234 -18.295 1.00 44.14 H new ATOM 0 HD2 TYR A 35 24.434 -2.460 -20.172 1.00 30.32 H new ATOM 0 HE1 TYR A 35 25.869 1.153 -17.158 1.00 21.43 H new ATOM 0 HE2 TYR A 35 22.756 -1.074 -19.036 1.00 54.34 H new ATOM 0 HH TYR A 35 22.431 0.873 -17.894 1.00 72.34 H new ATOM 554 N LEU A 36 26.254 -4.268 -17.843 1.00 72.31 N ATOM 555 CA LEU A 36 25.445 -4.613 -16.679 1.00 73.43 C ATOM 556 C LEU A 36 26.284 -5.329 -15.625 1.00 41.44 C ATOM 557 O LEU A 36 26.129 -5.091 -14.427 1.00 31.33 O ATOM 558 CB LEU A 36 24.267 -5.497 -17.096 1.00 5.12 C ATOM 559 CG LEU A 36 23.178 -4.816 -17.925 1.00 62.34 C ATOM 560 CD1 LEU A 36 22.099 -5.816 -18.312 1.00 12.43 C ATOM 561 CD2 LEU A 36 22.576 -3.648 -17.159 1.00 50.30 C ATOM 0 H LEU A 36 25.988 -4.753 -18.700 1.00 72.31 H new ATOM 0 HA LEU A 36 25.063 -3.688 -16.246 1.00 73.43 H new ATOM 0 HB2 LEU A 36 24.656 -6.341 -17.666 1.00 5.12 H new ATOM 0 HB3 LEU A 36 23.808 -5.905 -16.195 1.00 5.12 H new ATOM 0 HG LEU A 36 23.631 -4.430 -18.838 1.00 62.34 H new ATOM 0 HD11 LEU A 36 21.332 -5.314 -18.902 1.00 12.43 H new ATOM 0 HD12 LEU A 36 22.542 -6.619 -18.901 1.00 12.43 H new ATOM 0 HD13 LEU A 36 21.649 -6.233 -17.411 1.00 12.43 H new ATOM 0 HD21 LEU A 36 21.803 -3.175 -17.765 1.00 50.30 H new ATOM 0 HD22 LEU A 36 22.138 -4.010 -16.229 1.00 50.30 H new ATOM 0 HD23 LEU A 36 23.356 -2.920 -16.934 1.00 50.30 H new ATOM 573 N LEU A 37 27.175 -6.203 -16.080 1.00 33.34 N ATOM 574 CA LEU A 37 28.041 -6.952 -15.176 1.00 64.01 C ATOM 575 C LEU A 37 28.998 -6.019 -14.441 1.00 41.31 C ATOM 576 O LEU A 37 29.207 -6.152 -13.235 1.00 65.23 O ATOM 577 CB LEU A 37 28.834 -8.004 -15.953 1.00 70.43 C ATOM 578 CG LEU A 37 28.135 -9.348 -16.168 1.00 44.52 C ATOM 579 CD1 LEU A 37 29.007 -10.276 -16.999 1.00 44.00 C ATOM 580 CD2 LEU A 37 27.791 -9.990 -14.832 1.00 45.41 C ATOM 0 H LEU A 37 27.317 -6.410 -17.069 1.00 33.34 H new ATOM 0 HA LEU A 37 27.411 -7.451 -14.439 1.00 64.01 H new ATOM 0 HB2 LEU A 37 29.090 -7.590 -16.928 1.00 70.43 H new ATOM 0 HB3 LEU A 37 29.772 -8.185 -15.427 1.00 70.43 H new ATOM 0 HG LEU A 37 27.207 -9.171 -16.712 1.00 44.52 H new ATOM 0 HD11 LEU A 37 28.494 -11.227 -17.142 1.00 44.00 H new ATOM 0 HD12 LEU A 37 29.202 -9.820 -17.970 1.00 44.00 H new ATOM 0 HD13 LEU A 37 29.951 -10.447 -16.482 1.00 44.00 H new ATOM 0 HD21 LEU A 37 27.294 -10.945 -15.004 1.00 45.41 H new ATOM 0 HD22 LEU A 37 28.705 -10.154 -14.261 1.00 45.41 H new ATOM 0 HD23 LEU A 37 27.127 -9.332 -14.272 1.00 45.41 H new ATOM 592 N ASP A 38 29.574 -5.073 -15.175 1.00 21.10 N ATOM 593 CA ASP A 38 30.506 -4.115 -14.592 1.00 42.34 C ATOM 594 C ASP A 38 29.797 -3.203 -13.596 1.00 75.20 C ATOM 595 O ASP A 38 30.290 -2.972 -12.493 1.00 1.52 O ATOM 596 CB ASP A 38 31.163 -3.277 -15.691 1.00 14.01 C ATOM 597 CG ASP A 38 32.247 -2.364 -15.153 1.00 15.31 C ATOM 598 OD1 ASP A 38 31.903 -1.300 -14.596 1.00 22.54 O ATOM 599 OD2 ASP A 38 33.438 -2.712 -15.290 1.00 3.20 O ATOM 0 H ASP A 38 29.412 -4.949 -16.174 1.00 21.10 H new ATOM 0 HA ASP A 38 31.277 -4.673 -14.061 1.00 42.34 H new ATOM 0 HB2 ASP A 38 31.591 -3.940 -16.443 1.00 14.01 H new ATOM 0 HB3 ASP A 38 30.402 -2.678 -16.191 1.00 14.01 H new ATOM 604 N GLN A 39 28.637 -2.689 -13.994 1.00 23.12 N ATOM 605 CA GLN A 39 27.861 -1.802 -13.136 1.00 3.52 C ATOM 606 C GLN A 39 27.541 -2.474 -11.805 1.00 11.11 C ATOM 607 O GLN A 39 27.324 -1.804 -10.796 1.00 25.21 O ATOM 608 CB GLN A 39 26.566 -1.385 -13.835 1.00 62.23 C ATOM 609 CG GLN A 39 26.692 -0.097 -14.632 1.00 41.12 C ATOM 610 CD GLN A 39 27.138 1.075 -13.780 1.00 45.05 C ATOM 611 OE1 GLN A 39 26.550 1.359 -12.737 1.00 33.31 O ATOM 612 NE2 GLN A 39 28.185 1.763 -14.222 1.00 13.52 N ATOM 0 H GLN A 39 28.215 -2.872 -14.904 1.00 23.12 H new ATOM 0 HA GLN A 39 28.461 -0.914 -12.938 1.00 3.52 H new ATOM 0 HB2 GLN A 39 26.249 -2.186 -14.503 1.00 62.23 H new ATOM 0 HB3 GLN A 39 25.782 -1.265 -13.087 1.00 62.23 H new ATOM 0 HG2 GLN A 39 27.405 -0.244 -15.443 1.00 41.12 H new ATOM 0 HG3 GLN A 39 25.732 0.137 -15.091 1.00 41.12 H new ATOM 0 HE21 GLN A 39 28.643 1.492 -15.093 1.00 13.52 H new ATOM 0 HE22 GLN A 39 28.531 2.562 -13.691 1.00 13.52 H new ATOM 621 N GLY A 40 27.512 -3.803 -11.811 1.00 30.33 N ATOM 622 CA GLY A 40 27.217 -4.544 -10.598 1.00 74.13 C ATOM 623 C GLY A 40 25.827 -5.149 -10.613 1.00 30.42 C ATOM 624 O GLY A 40 25.228 -5.371 -9.560 1.00 71.22 O ATOM 0 H GLY A 40 27.687 -4.380 -12.634 1.00 30.33 H new ATOM 0 HA2 GLY A 40 27.954 -5.337 -10.472 1.00 74.13 H new ATOM 0 HA3 GLY A 40 27.312 -3.881 -9.738 1.00 74.13 H new ATOM 628 N TYR A 41 25.312 -5.416 -11.808 1.00 1.11 N ATOM 629 CA TYR A 41 23.982 -5.995 -11.955 1.00 62.32 C ATOM 630 C TYR A 41 24.066 -7.502 -12.182 1.00 3.33 C ATOM 631 O TYR A 41 25.150 -8.086 -12.154 1.00 31.12 O ATOM 632 CB TYR A 41 23.241 -5.334 -13.118 1.00 72.03 C ATOM 633 CG TYR A 41 22.812 -3.912 -12.833 1.00 61.41 C ATOM 634 CD1 TYR A 41 21.622 -3.645 -12.168 1.00 52.24 C ATOM 635 CD2 TYR A 41 23.598 -2.837 -13.228 1.00 2.34 C ATOM 636 CE1 TYR A 41 21.226 -2.348 -11.907 1.00 11.54 C ATOM 637 CE2 TYR A 41 23.211 -1.536 -12.969 1.00 31.13 C ATOM 638 CZ TYR A 41 22.024 -1.297 -12.308 1.00 51.34 C ATOM 639 OH TYR A 41 21.634 -0.003 -12.048 1.00 53.01 O ATOM 0 H TYR A 41 25.795 -5.241 -12.689 1.00 1.11 H new ATOM 0 HA TYR A 41 23.431 -5.815 -11.032 1.00 62.32 H new ATOM 0 HB2 TYR A 41 23.884 -5.341 -13.998 1.00 72.03 H new ATOM 0 HB3 TYR A 41 22.360 -5.928 -13.361 1.00 72.03 H new ATOM 0 HD1 TYR A 41 20.996 -4.465 -11.850 1.00 52.24 H new ATOM 0 HD2 TYR A 41 24.527 -3.021 -13.746 1.00 2.34 H new ATOM 0 HE1 TYR A 41 20.296 -2.158 -11.392 1.00 11.54 H new ATOM 0 HE2 TYR A 41 23.834 -0.711 -13.282 1.00 31.13 H new ATOM 0 HH TYR A 41 22.308 0.618 -12.395 1.00 53.01 H new ATOM 649 N HIS A 42 22.914 -8.125 -12.407 1.00 11.12 N ATOM 650 CA HIS A 42 22.856 -9.564 -12.640 1.00 14.42 C ATOM 651 C HIS A 42 22.508 -9.865 -14.095 1.00 5.33 C ATOM 652 O HIS A 42 21.438 -9.495 -14.578 1.00 3.43 O ATOM 653 CB HIS A 42 21.826 -10.210 -11.713 1.00 75.32 C ATOM 654 CG HIS A 42 22.107 -11.651 -11.417 1.00 65.11 C ATOM 655 ND1 HIS A 42 22.656 -12.082 -10.228 1.00 4.44 N ATOM 656 CD2 HIS A 42 21.912 -12.763 -12.164 1.00 34.15 C ATOM 657 CE1 HIS A 42 22.788 -13.396 -10.256 1.00 14.21 C ATOM 658 NE2 HIS A 42 22.342 -13.834 -11.420 1.00 25.03 N ATOM 0 H HIS A 42 22.008 -7.657 -12.433 1.00 11.12 H new ATOM 0 HA HIS A 42 23.840 -9.982 -12.426 1.00 14.42 H new ATOM 0 HB2 HIS A 42 21.794 -9.655 -10.776 1.00 75.32 H new ATOM 0 HB3 HIS A 42 20.838 -10.127 -12.167 1.00 75.32 H new ATOM 0 HD2 HIS A 42 21.496 -12.801 -13.160 1.00 34.15 H new ATOM 0 HE1 HIS A 42 23.192 -14.008 -9.463 1.00 14.21 H new ATOM 0 HE2 HIS A 42 22.321 -14.809 -11.718 1.00 25.03 H new ATOM 666 N VAL A 43 23.421 -10.538 -14.789 1.00 13.04 N ATOM 667 CA VAL A 43 23.211 -10.889 -16.188 1.00 40.01 C ATOM 668 C VAL A 43 23.088 -12.398 -16.364 1.00 32.44 C ATOM 669 O VAL A 43 23.972 -13.154 -15.960 1.00 62.43 O ATOM 670 CB VAL A 43 24.360 -10.372 -17.075 1.00 32.34 C ATOM 671 CG1 VAL A 43 24.039 -10.591 -18.545 1.00 42.33 C ATOM 672 CG2 VAL A 43 24.630 -8.902 -16.792 1.00 23.20 C ATOM 0 H VAL A 43 24.313 -10.851 -14.405 1.00 13.04 H new ATOM 0 HA VAL A 43 22.280 -10.413 -16.497 1.00 40.01 H new ATOM 0 HB VAL A 43 25.262 -10.936 -16.838 1.00 32.34 H new ATOM 0 HG11 VAL A 43 24.862 -10.220 -19.156 1.00 42.33 H new ATOM 0 HG12 VAL A 43 23.899 -11.656 -18.732 1.00 42.33 H new ATOM 0 HG13 VAL A 43 23.125 -10.055 -18.802 1.00 42.33 H new ATOM 0 HG21 VAL A 43 25.444 -8.553 -17.427 1.00 23.20 H new ATOM 0 HG22 VAL A 43 23.732 -8.320 -17.001 1.00 23.20 H new ATOM 0 HG23 VAL A 43 24.907 -8.778 -15.745 1.00 23.20 H new ATOM 682 N ILE A 44 21.986 -12.830 -16.968 1.00 21.21 N ATOM 683 CA ILE A 44 21.748 -14.250 -17.198 1.00 41.43 C ATOM 684 C ILE A 44 21.653 -14.556 -18.689 1.00 32.20 C ATOM 685 O ILE A 44 20.568 -14.734 -19.244 1.00 0.25 O ATOM 686 CB ILE A 44 20.457 -14.724 -16.505 1.00 4.14 C ATOM 687 CG1 ILE A 44 20.465 -14.315 -15.030 1.00 61.12 C ATOM 688 CG2 ILE A 44 20.306 -16.232 -16.641 1.00 50.51 C ATOM 689 CD1 ILE A 44 19.163 -14.602 -14.317 1.00 34.54 C ATOM 0 H ILE A 44 21.244 -12.217 -17.307 1.00 21.21 H new ATOM 0 HA ILE A 44 22.597 -14.786 -16.772 1.00 41.43 H new ATOM 0 HB ILE A 44 19.605 -14.248 -16.991 1.00 4.14 H new ATOM 0 HG12 ILE A 44 21.273 -14.840 -14.520 1.00 61.12 H new ATOM 0 HG13 ILE A 44 20.682 -13.249 -14.958 1.00 61.12 H new ATOM 0 HG21 ILE A 44 19.389 -16.552 -16.146 1.00 50.51 H new ATOM 0 HG22 ILE A 44 20.261 -16.499 -17.697 1.00 50.51 H new ATOM 0 HG23 ILE A 44 21.160 -16.726 -16.178 1.00 50.51 H new ATOM 0 HD11 ILE A 44 19.241 -14.287 -13.276 1.00 34.54 H new ATOM 0 HD12 ILE A 44 18.354 -14.056 -14.802 1.00 34.54 H new ATOM 0 HD13 ILE A 44 18.954 -15.671 -14.358 1.00 34.54 H new ATOM 701 N PRO A 45 22.815 -14.622 -19.355 1.00 23.00 N ATOM 702 CA PRO A 45 22.890 -14.910 -20.790 1.00 40.14 C ATOM 703 C PRO A 45 22.511 -16.351 -21.113 1.00 70.20 C ATOM 704 O PRO A 45 23.098 -17.293 -20.579 1.00 15.52 O ATOM 705 CB PRO A 45 24.362 -14.656 -21.127 1.00 15.11 C ATOM 706 CG PRO A 45 25.086 -14.869 -19.843 1.00 1.12 C ATOM 707 CD PRO A 45 24.146 -14.421 -18.758 1.00 22.02 C ATOM 0 HA PRO A 45 22.195 -14.298 -21.365 1.00 40.14 H new ATOM 0 HB2 PRO A 45 24.715 -15.340 -21.899 1.00 15.11 H new ATOM 0 HB3 PRO A 45 24.513 -13.644 -21.504 1.00 15.11 H new ATOM 0 HG2 PRO A 45 25.356 -15.917 -19.717 1.00 1.12 H new ATOM 0 HG3 PRO A 45 26.013 -14.296 -19.818 1.00 1.12 H new ATOM 0 HD2 PRO A 45 24.272 -15.010 -17.849 1.00 22.02 H new ATOM 0 HD3 PRO A 45 24.312 -13.378 -18.488 1.00 22.02 H new ATOM 715 N VAL A 46 21.527 -16.517 -21.991 1.00 33.11 N ATOM 716 CA VAL A 46 21.070 -17.844 -22.386 1.00 64.31 C ATOM 717 C VAL A 46 21.165 -18.031 -23.896 1.00 53.23 C ATOM 718 O VAL A 46 20.575 -17.270 -24.664 1.00 30.50 O ATOM 719 CB VAL A 46 19.618 -18.095 -21.939 1.00 10.23 C ATOM 720 CG1 VAL A 46 19.185 -19.508 -22.296 1.00 62.52 C ATOM 721 CG2 VAL A 46 19.470 -17.845 -20.445 1.00 43.34 C ATOM 0 H VAL A 46 21.031 -15.749 -22.442 1.00 33.11 H new ATOM 0 HA VAL A 46 21.723 -18.563 -21.892 1.00 64.31 H new ATOM 0 HB VAL A 46 18.968 -17.398 -22.468 1.00 10.23 H new ATOM 0 HG11 VAL A 46 18.156 -19.666 -21.972 1.00 62.52 H new ATOM 0 HG12 VAL A 46 19.251 -19.647 -23.375 1.00 62.52 H new ATOM 0 HG13 VAL A 46 19.837 -20.225 -21.797 1.00 62.52 H new ATOM 0 HG21 VAL A 46 18.438 -18.027 -20.146 1.00 43.34 H new ATOM 0 HG22 VAL A 46 20.130 -18.517 -19.897 1.00 43.34 H new ATOM 0 HG23 VAL A 46 19.736 -16.812 -20.221 1.00 43.34 H new ATOM 731 N SER A 47 21.910 -19.048 -24.316 1.00 22.10 N ATOM 732 CA SER A 47 22.085 -19.333 -25.735 1.00 72.23 C ATOM 733 C SER A 47 22.211 -20.834 -25.976 1.00 63.43 C ATOM 734 O SER A 47 22.665 -21.591 -25.117 1.00 51.13 O ATOM 735 CB SER A 47 23.323 -18.613 -26.273 1.00 54.24 C ATOM 736 OG SER A 47 22.973 -17.683 -27.283 1.00 55.53 O ATOM 0 H SER A 47 22.402 -19.689 -23.693 1.00 22.10 H new ATOM 0 HA SER A 47 21.204 -18.970 -26.264 1.00 72.23 H new ATOM 0 HB2 SER A 47 23.830 -18.096 -25.458 1.00 54.24 H new ATOM 0 HB3 SER A 47 24.026 -19.343 -26.674 1.00 54.24 H new ATOM 0 HG SER A 47 23.783 -17.246 -27.620 1.00 55.53 H new ATOM 742 N PRO A 48 21.801 -21.277 -27.174 1.00 35.31 N ATOM 743 CA PRO A 48 21.858 -22.691 -27.557 1.00 51.04 C ATOM 744 C PRO A 48 23.288 -23.180 -27.758 1.00 3.30 C ATOM 745 O PRO A 48 23.532 -24.378 -27.905 1.00 15.35 O ATOM 746 CB PRO A 48 21.089 -22.731 -28.880 1.00 74.12 C ATOM 747 CG PRO A 48 21.215 -21.354 -29.434 1.00 15.34 C ATOM 748 CD PRO A 48 21.249 -20.432 -28.246 1.00 40.10 C ATOM 0 HA PRO A 48 21.442 -23.339 -26.786 1.00 51.04 H new ATOM 0 HB2 PRO A 48 21.510 -23.471 -29.560 1.00 74.12 H new ATOM 0 HB3 PRO A 48 20.045 -23.000 -28.723 1.00 74.12 H new ATOM 0 HG2 PRO A 48 22.121 -21.255 -30.031 1.00 15.34 H new ATOM 0 HG3 PRO A 48 20.375 -21.118 -30.088 1.00 15.34 H new ATOM 0 HD2 PRO A 48 21.875 -19.559 -28.432 1.00 40.10 H new ATOM 0 HD3 PRO A 48 20.254 -20.063 -27.995 1.00 40.10 H new ATOM 756 N LYS A 49 24.233 -22.245 -27.763 1.00 54.02 N ATOM 757 CA LYS A 49 25.640 -22.580 -27.944 1.00 2.20 C ATOM 758 C LYS A 49 26.403 -22.451 -26.629 1.00 62.44 C ATOM 759 O LYS A 49 27.352 -23.194 -26.376 1.00 1.43 O ATOM 760 CB LYS A 49 26.270 -21.671 -29.002 1.00 71.22 C ATOM 761 CG LYS A 49 26.479 -20.242 -28.531 1.00 32.51 C ATOM 762 CD LYS A 49 26.962 -19.348 -29.660 1.00 52.30 C ATOM 763 CE LYS A 49 28.429 -19.595 -29.978 1.00 55.52 C ATOM 764 NZ LYS A 49 29.329 -18.834 -29.068 1.00 21.42 N ATOM 0 H LYS A 49 24.049 -21.249 -27.644 1.00 54.02 H new ATOM 0 HA LYS A 49 25.701 -23.615 -28.280 1.00 2.20 H new ATOM 0 HB2 LYS A 49 27.230 -22.089 -29.303 1.00 71.22 H new ATOM 0 HB3 LYS A 49 25.634 -21.663 -29.887 1.00 71.22 H new ATOM 0 HG2 LYS A 49 25.545 -19.850 -28.130 1.00 32.51 H new ATOM 0 HG3 LYS A 49 27.206 -20.228 -27.719 1.00 32.51 H new ATOM 0 HD2 LYS A 49 26.360 -19.528 -30.551 1.00 52.30 H new ATOM 0 HD3 LYS A 49 26.819 -18.303 -29.385 1.00 52.30 H new ATOM 0 HE2 LYS A 49 28.644 -20.660 -29.895 1.00 55.52 H new ATOM 0 HE3 LYS A 49 28.630 -19.309 -31.010 1.00 55.52 H new ATOM 0 HZ1 LYS A 49 30.320 -19.029 -29.317 1.00 21.42 H new ATOM 0 HZ2 LYS A 49 29.141 -17.816 -29.166 1.00 21.42 H new ATOM 0 HZ3 LYS A 49 29.155 -19.125 -28.085 1.00 21.42 H new ATOM 778 N VAL A 50 25.982 -21.506 -25.796 1.00 14.15 N ATOM 779 CA VAL A 50 26.624 -21.282 -24.506 1.00 33.43 C ATOM 780 C VAL A 50 26.175 -22.318 -23.481 1.00 73.55 C ATOM 781 O VAL A 50 26.716 -22.391 -22.379 1.00 24.51 O ATOM 782 CB VAL A 50 26.317 -19.874 -23.963 1.00 4.21 C ATOM 783 CG1 VAL A 50 26.644 -18.817 -25.006 1.00 43.55 C ATOM 784 CG2 VAL A 50 24.863 -19.775 -23.529 1.00 74.05 C ATOM 0 H VAL A 50 25.199 -20.882 -25.991 1.00 14.15 H new ATOM 0 HA VAL A 50 27.698 -21.376 -24.667 1.00 33.43 H new ATOM 0 HB VAL A 50 26.945 -19.695 -23.090 1.00 4.21 H new ATOM 0 HG11 VAL A 50 26.421 -17.828 -24.605 1.00 43.55 H new ATOM 0 HG12 VAL A 50 27.702 -18.874 -25.263 1.00 43.55 H new ATOM 0 HG13 VAL A 50 26.044 -18.990 -25.900 1.00 43.55 H new ATOM 0 HG21 VAL A 50 24.664 -18.773 -23.148 1.00 74.05 H new ATOM 0 HG22 VAL A 50 24.214 -19.974 -24.382 1.00 74.05 H new ATOM 0 HG23 VAL A 50 24.667 -20.507 -22.745 1.00 74.05 H new ATOM 794 N ALA A 51 25.181 -23.119 -23.854 1.00 2.20 N ATOM 795 CA ALA A 51 24.661 -24.153 -22.969 1.00 33.23 C ATOM 796 C ALA A 51 25.776 -25.075 -22.486 1.00 13.31 C ATOM 797 O ALA A 51 26.217 -25.964 -23.212 1.00 45.12 O ATOM 798 CB ALA A 51 23.578 -24.956 -23.675 1.00 22.24 C ATOM 0 H ALA A 51 24.721 -23.071 -24.763 1.00 2.20 H new ATOM 0 HA ALA A 51 24.226 -23.665 -22.097 1.00 33.23 H new ATOM 0 HB1 ALA A 51 23.198 -25.725 -23.002 1.00 22.24 H new ATOM 0 HB2 ALA A 51 22.763 -24.292 -23.964 1.00 22.24 H new ATOM 0 HB3 ALA A 51 23.996 -25.427 -24.565 1.00 22.24 H new ATOM 804 N GLY A 52 26.227 -24.855 -21.255 1.00 23.23 N ATOM 805 CA GLY A 52 27.288 -25.674 -20.697 1.00 12.33 C ATOM 806 C GLY A 52 28.631 -24.971 -20.711 1.00 31.20 C ATOM 807 O GLY A 52 29.677 -25.612 -20.608 1.00 71.41 O ATOM 0 H GLY A 52 25.877 -24.125 -20.634 1.00 23.23 H new ATOM 0 HA2 GLY A 52 27.033 -25.944 -19.672 1.00 12.33 H new ATOM 0 HA3 GLY A 52 27.362 -26.603 -21.263 1.00 12.33 H new ATOM 811 N LYS A 53 28.604 -23.649 -20.841 1.00 31.14 N ATOM 812 CA LYS A 53 29.828 -22.857 -20.869 1.00 20.52 C ATOM 813 C LYS A 53 29.698 -21.623 -19.982 1.00 42.03 C ATOM 814 O LYS A 53 28.645 -21.376 -19.394 1.00 10.03 O ATOM 815 CB LYS A 53 30.154 -22.436 -22.303 1.00 64.24 C ATOM 816 CG LYS A 53 30.360 -23.607 -23.249 1.00 41.32 C ATOM 817 CD LYS A 53 30.239 -23.178 -24.702 1.00 11.21 C ATOM 818 CE LYS A 53 31.300 -22.153 -25.071 1.00 4.22 C ATOM 819 NZ LYS A 53 32.676 -22.711 -24.951 1.00 73.15 N ATOM 0 H LYS A 53 27.747 -23.103 -20.929 1.00 31.14 H new ATOM 0 HA LYS A 53 30.640 -23.474 -20.485 1.00 20.52 H new ATOM 0 HB2 LYS A 53 29.345 -21.811 -22.682 1.00 64.24 H new ATOM 0 HB3 LYS A 53 31.055 -21.822 -22.297 1.00 64.24 H new ATOM 0 HG2 LYS A 53 31.344 -24.045 -23.079 1.00 41.32 H new ATOM 0 HG3 LYS A 53 29.624 -24.382 -23.035 1.00 41.32 H new ATOM 0 HD2 LYS A 53 30.334 -24.050 -25.349 1.00 11.21 H new ATOM 0 HD3 LYS A 53 29.249 -22.757 -24.877 1.00 11.21 H new ATOM 0 HE2 LYS A 53 31.135 -21.811 -26.093 1.00 4.22 H new ATOM 0 HE3 LYS A 53 31.204 -21.281 -24.423 1.00 4.22 H new ATOM 0 HZ1 LYS A 53 33.356 -22.054 -25.384 1.00 73.15 H new ATOM 0 HZ2 LYS A 53 32.912 -22.841 -23.946 1.00 73.15 H new ATOM 0 HZ3 LYS A 53 32.722 -23.628 -25.439 1.00 73.15 H new ATOM 833 N THR A 54 30.775 -20.849 -19.892 1.00 2.31 N ATOM 834 CA THR A 54 30.781 -19.640 -19.078 1.00 3.11 C ATOM 835 C THR A 54 31.088 -18.409 -19.923 1.00 61.24 C ATOM 836 O THR A 54 32.208 -18.239 -20.408 1.00 31.24 O ATOM 837 CB THR A 54 31.813 -19.736 -17.938 1.00 13.42 C ATOM 838 OG1 THR A 54 32.671 -20.862 -18.147 1.00 61.51 O ATOM 839 CG2 THR A 54 31.119 -19.863 -16.590 1.00 22.30 C ATOM 0 H THR A 54 31.654 -21.038 -20.373 1.00 2.31 H new ATOM 0 HA THR A 54 29.784 -19.543 -18.649 1.00 3.11 H new ATOM 0 HB THR A 54 32.408 -18.823 -17.938 1.00 13.42 H new ATOM 0 HG1 THR A 54 33.325 -20.915 -17.419 1.00 61.51 H new ATOM 0 HG21 THR A 54 31.867 -19.929 -15.800 1.00 22.30 H new ATOM 0 HG22 THR A 54 30.490 -18.989 -16.421 1.00 22.30 H new ATOM 0 HG23 THR A 54 30.502 -20.762 -16.582 1.00 22.30 H new ATOM 847 N LEU A 55 30.088 -17.552 -20.097 1.00 71.53 N ATOM 848 CA LEU A 55 30.251 -16.335 -20.885 1.00 22.24 C ATOM 849 C LEU A 55 30.473 -15.127 -19.980 1.00 71.31 C ATOM 850 O LEU A 55 29.577 -14.719 -19.240 1.00 73.41 O ATOM 851 CB LEU A 55 29.023 -16.107 -21.768 1.00 2.13 C ATOM 852 CG LEU A 55 29.278 -16.068 -23.275 1.00 2.21 C ATOM 853 CD1 LEU A 55 30.051 -14.814 -23.653 1.00 42.01 C ATOM 854 CD2 LEU A 55 30.028 -17.314 -23.721 1.00 64.23 C ATOM 0 H LEU A 55 29.156 -17.677 -19.703 1.00 71.53 H new ATOM 0 HA LEU A 55 31.129 -16.457 -21.520 1.00 22.24 H new ATOM 0 HB2 LEU A 55 28.301 -16.897 -21.562 1.00 2.13 H new ATOM 0 HB3 LEU A 55 28.558 -15.166 -21.474 1.00 2.13 H new ATOM 0 HG LEU A 55 28.316 -16.045 -23.787 1.00 2.21 H new ATOM 0 HD11 LEU A 55 30.223 -14.803 -24.729 1.00 42.01 H new ATOM 0 HD12 LEU A 55 29.476 -13.933 -23.369 1.00 42.01 H new ATOM 0 HD13 LEU A 55 31.008 -14.806 -23.132 1.00 42.01 H new ATOM 0 HD21 LEU A 55 30.201 -17.269 -24.796 1.00 64.23 H new ATOM 0 HD22 LEU A 55 30.985 -17.368 -23.202 1.00 64.23 H new ATOM 0 HD23 LEU A 55 29.437 -18.199 -23.485 1.00 64.23 H new ATOM 866 N LEU A 56 31.671 -14.558 -20.046 1.00 2.41 N ATOM 867 CA LEU A 56 32.011 -13.394 -19.234 1.00 53.23 C ATOM 868 C LEU A 56 31.859 -13.703 -17.748 1.00 63.24 C ATOM 869 O LEU A 56 31.705 -12.799 -16.928 1.00 61.33 O ATOM 870 CB LEU A 56 31.123 -12.207 -19.613 1.00 30.01 C ATOM 871 CG LEU A 56 31.623 -11.335 -20.765 1.00 62.33 C ATOM 872 CD1 LEU A 56 30.615 -10.242 -21.084 1.00 63.01 C ATOM 873 CD2 LEU A 56 32.979 -10.732 -20.428 1.00 13.31 C ATOM 0 H LEU A 56 32.424 -14.883 -20.653 1.00 2.41 H new ATOM 0 HA LEU A 56 33.053 -13.138 -19.428 1.00 53.23 H new ATOM 0 HB2 LEU A 56 30.135 -12.587 -19.874 1.00 30.01 H new ATOM 0 HB3 LEU A 56 31.000 -11.576 -18.733 1.00 30.01 H new ATOM 0 HG LEU A 56 31.737 -11.964 -21.648 1.00 62.33 H new ATOM 0 HD11 LEU A 56 30.988 -9.632 -21.906 1.00 63.01 H new ATOM 0 HD12 LEU A 56 29.666 -10.695 -21.370 1.00 63.01 H new ATOM 0 HD13 LEU A 56 30.468 -9.615 -20.205 1.00 63.01 H new ATOM 0 HD21 LEU A 56 33.319 -10.115 -21.259 1.00 13.31 H new ATOM 0 HD22 LEU A 56 32.891 -10.118 -19.532 1.00 13.31 H new ATOM 0 HD23 LEU A 56 33.699 -11.531 -20.251 1.00 13.31 H new ATOM 885 N GLY A 57 31.907 -14.988 -17.409 1.00 15.14 N ATOM 886 CA GLY A 57 31.775 -15.394 -16.022 1.00 2.35 C ATOM 887 C GLY A 57 30.362 -15.815 -15.672 1.00 14.20 C ATOM 888 O GLY A 57 30.098 -16.256 -14.554 1.00 20.40 O ATOM 0 H GLY A 57 32.035 -15.754 -18.070 1.00 15.14 H new ATOM 0 HA2 GLY A 57 32.457 -16.221 -15.822 1.00 2.35 H new ATOM 0 HA3 GLY A 57 32.076 -14.570 -15.375 1.00 2.35 H new ATOM 892 N GLN A 58 29.451 -15.676 -16.630 1.00 33.52 N ATOM 893 CA GLN A 58 28.056 -16.044 -16.416 1.00 10.03 C ATOM 894 C GLN A 58 27.787 -17.465 -16.899 1.00 23.42 C ATOM 895 O GLN A 58 28.344 -17.904 -17.905 1.00 53.21 O ATOM 896 CB GLN A 58 27.131 -15.063 -17.139 1.00 63.42 C ATOM 897 CG GLN A 58 27.370 -13.610 -16.761 1.00 61.54 C ATOM 898 CD GLN A 58 27.592 -13.423 -15.273 1.00 74.24 C ATOM 899 OE1 GLN A 58 28.853 -13.403 -14.860 1.00 41.22 O flip ATOM 900 NE2 GLN A 58 26.639 -13.298 -14.503 1.00 65.34 N flip ATOM 0 H GLN A 58 29.653 -15.312 -17.561 1.00 33.52 H new ATOM 0 HA GLN A 58 27.855 -16.000 -15.346 1.00 10.03 H new ATOM 0 HB2 GLN A 58 27.264 -15.176 -18.215 1.00 63.42 H new ATOM 0 HB3 GLN A 58 26.096 -15.322 -16.917 1.00 63.42 H new ATOM 0 HG2 GLN A 58 28.238 -13.235 -17.304 1.00 61.54 H new ATOM 0 HG3 GLN A 58 26.515 -13.011 -17.075 1.00 61.54 H new ATOM 0 HE21 GLN A 58 25.685 -13.319 -14.864 1.00 65.34 H new ATOM 0 HE22 GLN A 58 26.803 -13.173 -13.504 1.00 65.34 H new ATOM 909 N GLN A 59 26.932 -18.180 -16.174 1.00 52.55 N ATOM 910 CA GLN A 59 26.591 -19.552 -16.530 1.00 32.05 C ATOM 911 C GLN A 59 25.738 -19.592 -17.794 1.00 4.44 C ATOM 912 O GLN A 59 24.728 -18.897 -17.895 1.00 43.32 O ATOM 913 CB GLN A 59 25.847 -20.230 -15.377 1.00 41.52 C ATOM 914 CG GLN A 59 25.595 -21.712 -15.603 1.00 44.54 C ATOM 915 CD GLN A 59 26.796 -22.568 -15.252 1.00 12.25 C ATOM 916 OE1 GLN A 59 27.023 -22.889 -14.085 1.00 21.13 O ATOM 917 NE2 GLN A 59 27.572 -22.943 -16.261 1.00 43.24 N ATOM 0 H GLN A 59 26.463 -17.832 -15.338 1.00 52.55 H new ATOM 0 HA GLN A 59 27.518 -20.091 -16.723 1.00 32.05 H new ATOM 0 HB2 GLN A 59 26.423 -20.104 -14.460 1.00 41.52 H new ATOM 0 HB3 GLN A 59 24.892 -19.727 -15.226 1.00 41.52 H new ATOM 0 HG2 GLN A 59 24.741 -22.027 -15.003 1.00 44.54 H new ATOM 0 HG3 GLN A 59 25.329 -21.876 -16.647 1.00 44.54 H new ATOM 0 HE21 GLN A 59 27.346 -22.654 -17.213 1.00 43.24 H new ATOM 0 HE22 GLN A 59 28.394 -23.520 -16.085 1.00 43.24 H new ATOM 926 N GLY A 60 26.153 -20.410 -18.756 1.00 43.11 N ATOM 927 CA GLY A 60 25.417 -20.524 -20.001 1.00 75.31 C ATOM 928 C GLY A 60 24.247 -21.483 -19.897 1.00 23.31 C ATOM 929 O GLY A 60 24.263 -22.407 -19.083 1.00 5.23 O ATOM 0 H GLY A 60 26.986 -20.996 -18.695 1.00 43.11 H new ATOM 0 HA2 GLY A 60 25.051 -19.540 -20.295 1.00 75.31 H new ATOM 0 HA3 GLY A 60 26.091 -20.862 -20.788 1.00 75.31 H new ATOM 933 N TYR A 61 23.229 -21.264 -20.722 1.00 23.14 N ATOM 934 CA TYR A 61 22.044 -22.114 -20.716 1.00 4.21 C ATOM 935 C TYR A 61 21.480 -22.271 -22.124 1.00 53.34 C ATOM 936 O TYR A 61 21.381 -21.302 -22.877 1.00 33.01 O ATOM 937 CB TYR A 61 20.977 -21.530 -19.789 1.00 21.25 C ATOM 938 CG TYR A 61 21.163 -21.910 -18.337 1.00 33.41 C ATOM 939 CD1 TYR A 61 20.696 -23.126 -17.852 1.00 14.12 C ATOM 940 CD2 TYR A 61 21.804 -21.054 -17.450 1.00 70.34 C ATOM 941 CE1 TYR A 61 20.862 -23.477 -16.526 1.00 62.41 C ATOM 942 CE2 TYR A 61 21.976 -21.398 -16.124 1.00 23.14 C ATOM 943 CZ TYR A 61 21.504 -22.610 -15.666 1.00 75.42 C ATOM 944 OH TYR A 61 21.672 -22.956 -14.345 1.00 11.11 O ATOM 0 H TYR A 61 23.201 -20.505 -21.403 1.00 23.14 H new ATOM 0 HA TYR A 61 22.335 -23.098 -20.349 1.00 4.21 H new ATOM 0 HB2 TYR A 61 20.987 -20.444 -19.876 1.00 21.25 H new ATOM 0 HB3 TYR A 61 19.995 -21.867 -20.121 1.00 21.25 H new ATOM 0 HD1 TYR A 61 20.195 -23.808 -18.523 1.00 14.12 H new ATOM 0 HD2 TYR A 61 22.174 -20.103 -17.804 1.00 70.34 H new ATOM 0 HE1 TYR A 61 20.491 -24.425 -16.165 1.00 62.41 H new ATOM 0 HE2 TYR A 61 22.478 -20.721 -15.449 1.00 23.14 H new ATOM 0 HH TYR A 61 22.144 -22.236 -13.876 1.00 11.11 H new ATOM 954 N ALA A 62 21.110 -23.499 -22.473 1.00 42.33 N ATOM 955 CA ALA A 62 20.553 -23.784 -23.790 1.00 13.34 C ATOM 956 C ALA A 62 19.202 -23.101 -23.973 1.00 53.22 C ATOM 957 O ALA A 62 18.850 -22.683 -25.077 1.00 72.10 O ATOM 958 CB ALA A 62 20.419 -25.286 -23.992 1.00 52.31 C ATOM 0 H ALA A 62 21.186 -24.312 -21.862 1.00 42.33 H new ATOM 0 HA ALA A 62 21.236 -23.387 -24.541 1.00 13.34 H new ATOM 0 HB1 ALA A 62 20.002 -25.485 -24.979 1.00 52.31 H new ATOM 0 HB2 ALA A 62 21.401 -25.753 -23.912 1.00 52.31 H new ATOM 0 HB3 ALA A 62 19.758 -25.698 -23.229 1.00 52.31 H new ATOM 964 N THR A 63 18.447 -22.990 -22.885 1.00 34.45 N ATOM 965 CA THR A 63 17.133 -22.360 -22.926 1.00 3.10 C ATOM 966 C THR A 63 16.807 -21.681 -21.601 1.00 3.13 C ATOM 967 O THR A 63 17.323 -22.066 -20.551 1.00 5.24 O ATOM 968 CB THR A 63 16.029 -23.383 -23.251 1.00 32.32 C ATOM 969 OG1 THR A 63 15.940 -24.357 -22.205 1.00 24.22 O ATOM 970 CG2 THR A 63 16.307 -24.078 -24.575 1.00 43.12 C ATOM 0 H THR A 63 18.723 -23.329 -21.963 1.00 34.45 H new ATOM 0 HA THR A 63 17.167 -21.610 -23.716 1.00 3.10 H new ATOM 0 HB THR A 63 15.082 -22.849 -23.331 1.00 32.32 H new ATOM 0 HG1 THR A 63 15.234 -25.003 -22.419 1.00 24.22 H new ATOM 0 HG21 THR A 63 15.513 -24.796 -24.783 1.00 43.12 H new ATOM 0 HG22 THR A 63 16.345 -23.337 -25.374 1.00 43.12 H new ATOM 0 HG23 THR A 63 17.262 -24.600 -24.519 1.00 43.12 H new ATOM 978 N LEU A 64 15.948 -20.670 -21.655 1.00 53.43 N ATOM 979 CA LEU A 64 15.552 -19.937 -20.458 1.00 13.42 C ATOM 980 C LEU A 64 14.718 -20.816 -19.531 1.00 63.45 C ATOM 981 O LEU A 64 14.525 -20.493 -18.360 1.00 24.31 O ATOM 982 CB LEU A 64 14.759 -18.685 -20.841 1.00 24.35 C ATOM 983 CG LEU A 64 13.514 -18.915 -21.697 1.00 33.50 C ATOM 984 CD1 LEU A 64 12.329 -19.297 -20.824 1.00 33.42 C ATOM 985 CD2 LEU A 64 13.195 -17.675 -22.519 1.00 21.10 C ATOM 0 H LEU A 64 15.512 -20.339 -22.515 1.00 53.43 H new ATOM 0 HA LEU A 64 16.457 -19.639 -19.929 1.00 13.42 H new ATOM 0 HB2 LEU A 64 14.457 -18.176 -19.925 1.00 24.35 H new ATOM 0 HB3 LEU A 64 15.424 -18.008 -21.377 1.00 24.35 H new ATOM 0 HG LEU A 64 13.715 -19.739 -22.382 1.00 33.50 H new ATOM 0 HD11 LEU A 64 11.452 -19.457 -21.451 1.00 33.42 H new ATOM 0 HD12 LEU A 64 12.558 -20.213 -20.280 1.00 33.42 H new ATOM 0 HD13 LEU A 64 12.126 -18.495 -20.114 1.00 33.42 H new ATOM 0 HD21 LEU A 64 12.306 -17.857 -23.122 1.00 21.10 H new ATOM 0 HD22 LEU A 64 13.014 -16.832 -21.851 1.00 21.10 H new ATOM 0 HD23 LEU A 64 14.036 -17.446 -23.173 1.00 21.10 H new ATOM 997 N ALA A 65 14.229 -21.931 -20.065 1.00 14.13 N ATOM 998 CA ALA A 65 13.420 -22.860 -19.285 1.00 10.41 C ATOM 999 C ALA A 65 14.296 -23.877 -18.562 1.00 60.32 C ATOM 1000 O ALA A 65 13.794 -24.829 -17.964 1.00 10.00 O ATOM 1001 CB ALA A 65 12.416 -23.568 -20.183 1.00 1.43 C ATOM 0 H ALA A 65 14.379 -22.213 -21.034 1.00 14.13 H new ATOM 0 HA ALA A 65 12.877 -22.288 -18.533 1.00 10.41 H new ATOM 0 HB1 ALA A 65 11.819 -24.259 -19.587 1.00 1.43 H new ATOM 0 HB2 ALA A 65 11.762 -22.831 -20.649 1.00 1.43 H new ATOM 0 HB3 ALA A 65 12.947 -24.122 -20.957 1.00 1.43 H new ATOM 1007 N ASP A 66 15.607 -23.671 -18.622 1.00 51.23 N ATOM 1008 CA ASP A 66 16.553 -24.571 -17.973 1.00 2.51 C ATOM 1009 C ASP A 66 17.161 -23.919 -16.735 1.00 12.42 C ATOM 1010 O ASP A 66 17.678 -24.602 -15.851 1.00 33.02 O ATOM 1011 CB ASP A 66 17.661 -24.971 -18.949 1.00 35.41 C ATOM 1012 CG ASP A 66 18.506 -26.117 -18.427 1.00 12.52 C ATOM 1013 OD1 ASP A 66 19.500 -25.846 -17.722 1.00 1.03 O ATOM 1014 OD2 ASP A 66 18.173 -27.283 -18.724 1.00 65.31 O ATOM 0 H ASP A 66 16.039 -22.889 -19.114 1.00 51.23 H new ATOM 0 HA ASP A 66 16.012 -25.465 -17.663 1.00 2.51 H new ATOM 0 HB2 ASP A 66 17.216 -25.256 -19.902 1.00 35.41 H new ATOM 0 HB3 ASP A 66 18.301 -24.110 -19.141 1.00 35.41 H new ATOM 1019 N VAL A 67 17.096 -22.592 -16.678 1.00 73.13 N ATOM 1020 CA VAL A 67 17.639 -21.847 -15.549 1.00 23.42 C ATOM 1021 C VAL A 67 16.861 -22.141 -14.271 1.00 55.34 C ATOM 1022 O VAL A 67 15.630 -22.129 -14.249 1.00 34.33 O ATOM 1023 CB VAL A 67 17.617 -20.330 -15.814 1.00 30.32 C ATOM 1024 CG1 VAL A 67 18.218 -19.574 -14.639 1.00 14.03 C ATOM 1025 CG2 VAL A 67 18.356 -20.004 -17.103 1.00 24.15 C ATOM 0 H VAL A 67 16.672 -22.011 -17.401 1.00 73.13 H new ATOM 0 HA VAL A 67 18.672 -22.171 -15.424 1.00 23.42 H new ATOM 0 HB VAL A 67 16.580 -20.013 -15.927 1.00 30.32 H new ATOM 0 HG11 VAL A 67 18.194 -18.504 -14.844 1.00 14.03 H new ATOM 0 HG12 VAL A 67 17.641 -19.784 -13.738 1.00 14.03 H new ATOM 0 HG13 VAL A 67 19.250 -19.892 -14.491 1.00 14.03 H new ATOM 0 HG21 VAL A 67 18.331 -18.928 -17.275 1.00 24.15 H new ATOM 0 HG22 VAL A 67 19.392 -20.334 -17.022 1.00 24.15 H new ATOM 0 HG23 VAL A 67 17.876 -20.516 -17.937 1.00 24.15 H new ATOM 1035 N PRO A 68 17.593 -22.410 -13.180 1.00 41.44 N ATOM 1036 CA PRO A 68 16.992 -22.710 -11.878 1.00 30.04 C ATOM 1037 C PRO A 68 16.327 -21.489 -11.250 1.00 64.34 C ATOM 1038 O PRO A 68 15.231 -21.583 -10.700 1.00 72.11 O ATOM 1039 CB PRO A 68 18.185 -23.163 -11.032 1.00 42.43 C ATOM 1040 CG PRO A 68 19.366 -22.509 -11.663 1.00 11.30 C ATOM 1041 CD PRO A 68 19.065 -22.440 -13.135 1.00 34.44 C ATOM 0 HA PRO A 68 16.200 -23.455 -11.957 1.00 30.04 H new ATOM 0 HB2 PRO A 68 18.072 -22.857 -9.992 1.00 42.43 H new ATOM 0 HB3 PRO A 68 18.284 -24.248 -11.036 1.00 42.43 H new ATOM 0 HG2 PRO A 68 19.527 -21.513 -11.251 1.00 11.30 H new ATOM 0 HG3 PRO A 68 20.275 -23.082 -11.477 1.00 11.30 H new ATOM 0 HD2 PRO A 68 19.499 -21.551 -13.593 1.00 34.44 H new ATOM 0 HD3 PRO A 68 19.466 -23.302 -13.668 1.00 34.44 H new ATOM 1049 N GLU A 69 16.999 -20.345 -11.338 1.00 74.21 N ATOM 1050 CA GLU A 69 16.472 -19.106 -10.778 1.00 75.31 C ATOM 1051 C GLU A 69 15.575 -18.392 -11.785 1.00 73.23 C ATOM 1052 O GLU A 69 15.782 -18.486 -12.995 1.00 45.03 O ATOM 1053 CB GLU A 69 17.617 -18.184 -10.355 1.00 33.02 C ATOM 1054 CG GLU A 69 17.151 -16.831 -9.843 1.00 23.44 C ATOM 1055 CD GLU A 69 16.361 -16.936 -8.553 1.00 22.43 C ATOM 1056 OE1 GLU A 69 15.143 -17.202 -8.624 1.00 31.20 O ATOM 1057 OE2 GLU A 69 16.960 -16.753 -7.473 1.00 2.34 O ATOM 0 H GLU A 69 17.908 -20.251 -11.791 1.00 74.21 H new ATOM 0 HA GLU A 69 15.876 -19.358 -9.901 1.00 75.31 H new ATOM 0 HB2 GLU A 69 18.200 -18.676 -9.577 1.00 33.02 H new ATOM 0 HB3 GLU A 69 18.283 -18.032 -11.205 1.00 33.02 H new ATOM 0 HG2 GLU A 69 18.017 -16.189 -9.683 1.00 23.44 H new ATOM 0 HG3 GLU A 69 16.535 -16.351 -10.604 1.00 23.44 H new ATOM 1064 N LYS A 70 14.576 -17.679 -11.277 1.00 53.42 N ATOM 1065 CA LYS A 70 13.646 -16.947 -12.130 1.00 21.21 C ATOM 1066 C LYS A 70 14.122 -15.515 -12.351 1.00 21.02 C ATOM 1067 O LYS A 70 14.429 -14.798 -11.398 1.00 61.30 O ATOM 1068 CB LYS A 70 12.248 -16.941 -11.508 1.00 20.04 C ATOM 1069 CG LYS A 70 11.693 -18.330 -11.244 1.00 64.20 C ATOM 1070 CD LYS A 70 10.224 -18.280 -10.860 1.00 22.44 C ATOM 1071 CE LYS A 70 9.344 -17.973 -12.061 1.00 73.22 C ATOM 1072 NZ LYS A 70 9.348 -19.086 -13.051 1.00 35.24 N ATOM 0 H LYS A 70 14.389 -17.592 -10.278 1.00 53.42 H new ATOM 0 HA LYS A 70 13.605 -17.450 -13.096 1.00 21.21 H new ATOM 0 HB2 LYS A 70 12.280 -16.387 -10.570 1.00 20.04 H new ATOM 0 HB3 LYS A 70 11.567 -16.407 -12.171 1.00 20.04 H new ATOM 0 HG2 LYS A 70 11.817 -18.947 -12.134 1.00 64.20 H new ATOM 0 HG3 LYS A 70 12.263 -18.805 -10.445 1.00 64.20 H new ATOM 0 HD2 LYS A 70 9.928 -19.235 -10.425 1.00 22.44 H new ATOM 0 HD3 LYS A 70 10.073 -17.520 -10.093 1.00 22.44 H new ATOM 0 HE2 LYS A 70 8.323 -17.789 -11.726 1.00 73.22 H new ATOM 0 HE3 LYS A 70 9.691 -17.058 -12.541 1.00 73.22 H new ATOM 0 HZ1 LYS A 70 8.549 -18.970 -13.707 1.00 35.24 H new ATOM 0 HZ2 LYS A 70 10.240 -19.072 -13.586 1.00 35.24 H new ATOM 0 HZ3 LYS A 70 9.258 -19.994 -12.553 1.00 35.24 H new ATOM 1086 N VAL A 71 14.180 -15.103 -13.613 1.00 71.44 N ATOM 1087 CA VAL A 71 14.616 -13.756 -13.959 1.00 11.30 C ATOM 1088 C VAL A 71 13.539 -12.728 -13.628 1.00 63.14 C ATOM 1089 O VAL A 71 12.346 -12.998 -13.766 1.00 40.22 O ATOM 1090 CB VAL A 71 14.972 -13.647 -15.454 1.00 2.05 C ATOM 1091 CG1 VAL A 71 13.713 -13.683 -16.307 1.00 25.13 C ATOM 1092 CG2 VAL A 71 15.770 -12.380 -15.720 1.00 4.34 C ATOM 0 H VAL A 71 13.930 -15.684 -14.414 1.00 71.44 H new ATOM 0 HA VAL A 71 15.507 -13.550 -13.365 1.00 11.30 H new ATOM 0 HB VAL A 71 15.590 -14.502 -15.726 1.00 2.05 H new ATOM 0 HG11 VAL A 71 13.984 -13.605 -17.360 1.00 25.13 H new ATOM 0 HG12 VAL A 71 13.185 -14.621 -16.137 1.00 25.13 H new ATOM 0 HG13 VAL A 71 13.066 -12.849 -16.036 1.00 25.13 H new ATOM 0 HG21 VAL A 71 16.013 -12.319 -16.781 1.00 4.34 H new ATOM 0 HG22 VAL A 71 15.179 -11.511 -15.433 1.00 4.34 H new ATOM 0 HG23 VAL A 71 16.691 -12.401 -15.137 1.00 4.34 H new ATOM 1102 N ASP A 72 13.969 -11.549 -13.192 1.00 32.20 N ATOM 1103 CA ASP A 72 13.042 -10.479 -12.843 1.00 34.12 C ATOM 1104 C ASP A 72 12.786 -9.570 -14.040 1.00 54.45 C ATOM 1105 O ASP A 72 11.724 -8.957 -14.151 1.00 70.23 O ATOM 1106 CB ASP A 72 13.591 -9.661 -11.673 1.00 40.33 C ATOM 1107 CG ASP A 72 12.601 -8.626 -11.175 1.00 20.30 C ATOM 1108 OD1 ASP A 72 11.445 -9.002 -10.888 1.00 43.32 O ATOM 1109 OD2 ASP A 72 12.982 -7.441 -11.073 1.00 32.15 O ATOM 0 H ASP A 72 14.953 -11.310 -13.072 1.00 32.20 H new ATOM 0 HA ASP A 72 12.097 -10.933 -12.546 1.00 34.12 H new ATOM 0 HB2 ASP A 72 13.852 -10.332 -10.855 1.00 40.33 H new ATOM 0 HB3 ASP A 72 14.510 -9.162 -11.982 1.00 40.33 H new ATOM 1114 N MET A 73 13.766 -9.486 -14.934 1.00 1.13 N ATOM 1115 CA MET A 73 13.646 -8.651 -16.123 1.00 43.13 C ATOM 1116 C MET A 73 14.473 -9.220 -17.272 1.00 41.32 C ATOM 1117 O MET A 73 15.675 -9.448 -17.132 1.00 13.11 O ATOM 1118 CB MET A 73 14.095 -7.221 -15.816 1.00 53.10 C ATOM 1119 CG MET A 73 14.221 -6.345 -17.052 1.00 5.12 C ATOM 1120 SD MET A 73 14.785 -4.676 -16.666 1.00 22.34 S ATOM 1121 CE MET A 73 13.458 -4.108 -15.605 1.00 44.32 C ATOM 0 H MET A 73 14.652 -9.986 -14.857 1.00 1.13 H new ATOM 0 HA MET A 73 12.598 -8.638 -16.423 1.00 43.13 H new ATOM 0 HB2 MET A 73 13.383 -6.765 -15.129 1.00 53.10 H new ATOM 0 HB3 MET A 73 15.057 -7.253 -15.304 1.00 53.10 H new ATOM 0 HG2 MET A 73 14.918 -6.807 -17.751 1.00 5.12 H new ATOM 0 HG3 MET A 73 13.255 -6.291 -17.554 1.00 5.12 H new ATOM 0 HE1 MET A 73 12.922 -3.296 -16.096 1.00 44.32 H new ATOM 0 HE2 MET A 73 12.770 -4.931 -15.410 1.00 44.32 H new ATOM 0 HE3 MET A 73 13.873 -3.751 -14.662 1.00 44.32 H new ATOM 1131 N VAL A 74 13.822 -9.447 -18.408 1.00 53.25 N ATOM 1132 CA VAL A 74 14.497 -9.988 -19.582 1.00 30.22 C ATOM 1133 C VAL A 74 14.728 -8.906 -20.631 1.00 30.41 C ATOM 1134 O VAL A 74 13.787 -8.254 -21.082 1.00 54.03 O ATOM 1135 CB VAL A 74 13.689 -11.137 -20.214 1.00 61.01 C ATOM 1136 CG1 VAL A 74 14.456 -11.754 -21.374 1.00 11.01 C ATOM 1137 CG2 VAL A 74 13.351 -12.189 -19.168 1.00 50.32 C ATOM 0 H VAL A 74 12.827 -9.265 -18.541 1.00 53.25 H new ATOM 0 HA VAL A 74 15.459 -10.373 -19.244 1.00 30.22 H new ATOM 0 HB VAL A 74 12.755 -10.731 -20.602 1.00 61.01 H new ATOM 0 HG11 VAL A 74 13.870 -12.564 -21.808 1.00 11.01 H new ATOM 0 HG12 VAL A 74 14.642 -10.994 -22.133 1.00 11.01 H new ATOM 0 HG13 VAL A 74 15.407 -12.147 -21.014 1.00 11.01 H new ATOM 0 HG21 VAL A 74 12.780 -12.993 -19.632 1.00 50.32 H new ATOM 0 HG22 VAL A 74 14.272 -12.593 -18.748 1.00 50.32 H new ATOM 0 HG23 VAL A 74 12.759 -11.735 -18.374 1.00 50.32 H new ATOM 1147 N ASP A 75 15.986 -8.722 -21.015 1.00 2.10 N ATOM 1148 CA ASP A 75 16.342 -7.720 -22.013 1.00 13.30 C ATOM 1149 C ASP A 75 16.612 -8.372 -23.365 1.00 41.34 C ATOM 1150 O ASP A 75 17.175 -9.464 -23.438 1.00 61.13 O ATOM 1151 CB ASP A 75 17.570 -6.930 -21.559 1.00 24.23 C ATOM 1152 CG ASP A 75 17.507 -5.473 -21.972 1.00 2.24 C ATOM 1153 OD1 ASP A 75 16.979 -5.189 -23.067 1.00 65.31 O ATOM 1154 OD2 ASP A 75 17.986 -4.616 -21.200 1.00 3.35 O ATOM 0 H ASP A 75 16.777 -9.254 -20.650 1.00 2.10 H new ATOM 0 HA ASP A 75 15.500 -7.036 -22.121 1.00 13.30 H new ATOM 0 HB2 ASP A 75 17.659 -6.994 -20.474 1.00 24.23 H new ATOM 0 HB3 ASP A 75 18.467 -7.385 -21.979 1.00 24.23 H new ATOM 1159 N VAL A 76 16.206 -7.695 -24.435 1.00 0.42 N ATOM 1160 CA VAL A 76 16.404 -8.208 -25.785 1.00 43.41 C ATOM 1161 C VAL A 76 17.236 -7.243 -26.623 1.00 54.31 C ATOM 1162 O VAL A 76 16.832 -6.104 -26.861 1.00 23.00 O ATOM 1163 CB VAL A 76 15.060 -8.458 -26.493 1.00 73.24 C ATOM 1164 CG1 VAL A 76 15.279 -9.172 -27.819 1.00 11.33 C ATOM 1165 CG2 VAL A 76 14.126 -9.257 -25.596 1.00 63.14 C ATOM 0 H VAL A 76 15.738 -6.790 -24.392 1.00 0.42 H new ATOM 0 HA VAL A 76 16.937 -9.154 -25.689 1.00 43.41 H new ATOM 0 HB VAL A 76 14.593 -7.495 -26.699 1.00 73.24 H new ATOM 0 HG11 VAL A 76 14.318 -9.340 -28.305 1.00 11.33 H new ATOM 0 HG12 VAL A 76 15.909 -8.558 -28.463 1.00 11.33 H new ATOM 0 HG13 VAL A 76 15.768 -10.130 -27.640 1.00 11.33 H new ATOM 0 HG21 VAL A 76 13.181 -9.425 -26.112 1.00 63.14 H new ATOM 0 HG22 VAL A 76 14.584 -10.217 -25.357 1.00 63.14 H new ATOM 0 HG23 VAL A 76 13.943 -8.703 -24.675 1.00 63.14 H new ATOM 1175 N PHE A 77 18.399 -7.706 -27.069 1.00 13.31 N ATOM 1176 CA PHE A 77 19.288 -6.884 -27.881 1.00 3.52 C ATOM 1177 C PHE A 77 19.461 -7.481 -29.274 1.00 74.21 C ATOM 1178 O PHE A 77 19.887 -6.798 -30.206 1.00 31.44 O ATOM 1179 CB PHE A 77 20.652 -6.745 -27.201 1.00 31.24 C ATOM 1180 CG PHE A 77 20.561 -6.471 -25.727 1.00 5.24 C ATOM 1181 CD1 PHE A 77 19.975 -5.306 -25.260 1.00 52.41 C ATOM 1182 CD2 PHE A 77 21.064 -7.378 -24.808 1.00 33.14 C ATOM 1183 CE1 PHE A 77 19.890 -5.050 -23.904 1.00 73.14 C ATOM 1184 CE2 PHE A 77 20.981 -7.128 -23.451 1.00 30.32 C ATOM 1185 CZ PHE A 77 20.394 -5.962 -22.999 1.00 24.43 C ATOM 0 H PHE A 77 18.748 -8.646 -26.882 1.00 13.31 H new ATOM 0 HA PHE A 77 18.837 -5.897 -27.982 1.00 3.52 H new ATOM 0 HB2 PHE A 77 21.222 -7.661 -27.358 1.00 31.24 H new ATOM 0 HB3 PHE A 77 21.207 -5.938 -27.679 1.00 31.24 H new ATOM 0 HD1 PHE A 77 19.580 -4.589 -25.964 1.00 52.41 H new ATOM 0 HD2 PHE A 77 21.526 -8.290 -25.156 1.00 33.14 H new ATOM 0 HE1 PHE A 77 19.430 -4.138 -23.554 1.00 73.14 H new ATOM 0 HE2 PHE A 77 21.375 -7.844 -22.745 1.00 30.32 H new ATOM 0 HZ PHE A 77 20.330 -5.764 -21.939 1.00 24.43 H new ATOM 1195 N ARG A 78 19.127 -8.761 -29.408 1.00 53.41 N ATOM 1196 CA ARG A 78 19.246 -9.451 -30.686 1.00 71.53 C ATOM 1197 C ARG A 78 18.560 -8.662 -31.797 1.00 43.43 C ATOM 1198 O ARG A 78 19.221 -8.045 -32.632 1.00 74.34 O ATOM 1199 CB ARG A 78 18.638 -10.852 -30.592 1.00 31.12 C ATOM 1200 CG ARG A 78 19.342 -11.755 -29.592 1.00 73.44 C ATOM 1201 CD ARG A 78 18.543 -13.022 -29.327 1.00 53.22 C ATOM 1202 NE ARG A 78 18.892 -14.094 -30.256 1.00 15.41 N ATOM 1203 CZ ARG A 78 18.127 -15.159 -30.469 1.00 42.12 C ATOM 1204 NH1 ARG A 78 16.977 -15.294 -29.824 1.00 11.42 N ATOM 1205 NH2 ARG A 78 18.513 -16.092 -31.330 1.00 52.03 N ATOM 0 H ARG A 78 18.772 -9.340 -28.647 1.00 53.41 H new ATOM 0 HA ARG A 78 20.306 -9.537 -30.926 1.00 71.53 H new ATOM 0 HB2 ARG A 78 17.588 -10.765 -30.314 1.00 31.12 H new ATOM 0 HB3 ARG A 78 18.670 -11.320 -31.576 1.00 31.12 H new ATOM 0 HG2 ARG A 78 20.330 -12.019 -29.971 1.00 73.44 H new ATOM 0 HG3 ARG A 78 19.493 -11.216 -28.657 1.00 73.44 H new ATOM 0 HD2 ARG A 78 18.721 -13.356 -28.305 1.00 53.22 H new ATOM 0 HD3 ARG A 78 17.478 -12.803 -29.410 1.00 53.22 H new ATOM 0 HE ARG A 78 19.771 -14.021 -30.769 1.00 15.41 H new ATOM 0 HH11 ARG A 78 16.677 -14.579 -29.162 1.00 11.42 H new ATOM 0 HH12 ARG A 78 16.392 -16.113 -29.990 1.00 11.42 H new ATOM 0 HH21 ARG A 78 19.397 -15.992 -31.828 1.00 52.03 H new ATOM 0 HH22 ARG A 78 17.925 -16.910 -31.493 1.00 52.03 H new ATOM 1219 N ASN A 79 17.231 -8.686 -31.800 1.00 44.30 N ATOM 1220 CA ASN A 79 16.456 -7.973 -32.809 1.00 1.11 C ATOM 1221 C ASN A 79 14.975 -7.953 -32.443 1.00 60.11 C ATOM 1222 O ASN A 79 14.579 -8.447 -31.388 1.00 21.35 O ATOM 1223 CB ASN A 79 16.645 -8.623 -34.181 1.00 4.11 C ATOM 1224 CG ASN A 79 16.605 -7.612 -35.310 1.00 41.43 C ATOM 1225 OD1 ASN A 79 15.836 -7.756 -36.261 1.00 23.41 O ATOM 1226 ND2 ASN A 79 17.436 -6.580 -35.211 1.00 33.33 N ATOM 0 H ASN A 79 16.669 -9.191 -31.115 1.00 44.30 H new ATOM 0 HA ASN A 79 16.816 -6.945 -32.849 1.00 1.11 H new ATOM 0 HB2 ASN A 79 17.599 -9.150 -34.202 1.00 4.11 H new ATOM 0 HB3 ASN A 79 15.866 -9.369 -34.337 1.00 4.11 H new ATOM 0 HD21 ASN A 79 17.454 -5.868 -35.941 1.00 33.33 H new ATOM 0 HD22 ASN A 79 18.056 -6.500 -34.405 1.00 33.33 H new ATOM 1233 N SER A 80 14.161 -7.379 -33.323 1.00 43.04 N ATOM 1234 CA SER A 80 12.724 -7.292 -33.092 1.00 42.32 C ATOM 1235 C SER A 80 12.079 -8.673 -33.153 1.00 23.12 C ATOM 1236 O SER A 80 11.362 -9.075 -32.238 1.00 14.34 O ATOM 1237 CB SER A 80 12.075 -6.368 -34.125 1.00 3.23 C ATOM 1238 OG SER A 80 12.912 -5.261 -34.416 1.00 35.33 O ATOM 0 H SER A 80 14.472 -6.967 -34.203 1.00 43.04 H new ATOM 0 HA SER A 80 12.566 -6.880 -32.095 1.00 42.32 H new ATOM 0 HB2 SER A 80 11.872 -6.925 -35.040 1.00 3.23 H new ATOM 0 HB3 SER A 80 11.115 -6.013 -33.749 1.00 3.23 H new ATOM 0 HG SER A 80 12.476 -4.687 -35.080 1.00 35.33 H new ATOM 1244 N GLU A 81 12.341 -9.395 -34.238 1.00 44.52 N ATOM 1245 CA GLU A 81 11.786 -10.731 -34.419 1.00 51.40 C ATOM 1246 C GLU A 81 12.078 -11.610 -33.206 1.00 51.25 C ATOM 1247 O GLU A 81 11.285 -12.482 -32.853 1.00 53.15 O ATOM 1248 CB GLU A 81 12.358 -11.378 -35.682 1.00 32.21 C ATOM 1249 CG GLU A 81 12.014 -10.630 -36.959 1.00 11.12 C ATOM 1250 CD GLU A 81 12.017 -11.528 -38.180 1.00 71.43 C ATOM 1251 OE1 GLU A 81 11.000 -12.213 -38.416 1.00 72.05 O ATOM 1252 OE2 GLU A 81 13.037 -11.546 -38.900 1.00 62.24 O ATOM 0 H GLU A 81 12.934 -9.077 -35.005 1.00 44.52 H new ATOM 0 HA GLU A 81 10.705 -10.637 -34.526 1.00 51.40 H new ATOM 0 HB2 GLU A 81 13.442 -11.441 -35.589 1.00 32.21 H new ATOM 0 HB3 GLU A 81 11.985 -12.399 -35.758 1.00 32.21 H new ATOM 0 HG2 GLU A 81 11.031 -10.171 -36.853 1.00 11.12 H new ATOM 0 HG3 GLU A 81 12.730 -9.821 -37.106 1.00 11.12 H new ATOM 1259 N ALA A 82 13.222 -11.374 -32.574 1.00 5.44 N ATOM 1260 CA ALA A 82 13.619 -12.142 -31.400 1.00 63.13 C ATOM 1261 C ALA A 82 12.771 -11.772 -30.189 1.00 11.54 C ATOM 1262 O ALA A 82 12.490 -12.612 -29.335 1.00 71.52 O ATOM 1263 CB ALA A 82 15.095 -11.924 -31.101 1.00 11.44 C ATOM 0 H ALA A 82 13.891 -10.657 -32.855 1.00 5.44 H new ATOM 0 HA ALA A 82 13.456 -13.198 -31.615 1.00 63.13 H new ATOM 0 HB1 ALA A 82 15.378 -12.503 -30.222 1.00 11.44 H new ATOM 0 HB2 ALA A 82 15.691 -12.246 -31.955 1.00 11.44 H new ATOM 0 HB3 ALA A 82 15.275 -10.866 -30.911 1.00 11.44 H new ATOM 1269 N ALA A 83 12.366 -10.507 -30.120 1.00 24.55 N ATOM 1270 CA ALA A 83 11.549 -10.026 -29.013 1.00 30.43 C ATOM 1271 C ALA A 83 10.299 -10.883 -28.841 1.00 0.34 C ATOM 1272 O ALA A 83 9.896 -11.191 -27.719 1.00 65.30 O ATOM 1273 CB ALA A 83 11.167 -8.570 -29.233 1.00 22.03 C ATOM 0 H ALA A 83 12.591 -9.798 -30.818 1.00 24.55 H new ATOM 0 HA ALA A 83 12.138 -10.101 -28.099 1.00 30.43 H new ATOM 0 HB1 ALA A 83 10.557 -8.224 -28.399 1.00 22.03 H new ATOM 0 HB2 ALA A 83 12.070 -7.963 -29.299 1.00 22.03 H new ATOM 0 HB3 ALA A 83 10.600 -8.479 -30.159 1.00 22.03 H new ATOM 1279 N TRP A 84 9.690 -11.262 -29.958 1.00 34.42 N ATOM 1280 CA TRP A 84 8.484 -12.083 -29.930 1.00 1.04 C ATOM 1281 C TRP A 84 8.788 -13.479 -29.397 1.00 1.21 C ATOM 1282 O TRP A 84 8.156 -13.943 -28.449 1.00 74.35 O ATOM 1283 CB TRP A 84 7.875 -12.179 -31.329 1.00 61.34 C ATOM 1284 CG TRP A 84 6.748 -13.163 -31.420 1.00 53.43 C ATOM 1285 CD1 TRP A 84 6.824 -14.460 -31.839 1.00 72.24 C ATOM 1286 CD2 TRP A 84 5.376 -12.927 -31.086 1.00 53.54 C ATOM 1287 NE1 TRP A 84 5.581 -15.045 -31.786 1.00 45.02 N ATOM 1288 CE2 TRP A 84 4.676 -14.125 -31.327 1.00 22.43 C ATOM 1289 CE3 TRP A 84 4.670 -11.820 -30.606 1.00 23.11 C ATOM 1290 CZ2 TRP A 84 3.307 -14.246 -31.103 1.00 42.34 C ATOM 1291 CZ3 TRP A 84 3.312 -11.941 -30.385 1.00 55.12 C ATOM 1292 CH2 TRP A 84 2.642 -13.146 -30.633 1.00 34.40 C ATOM 0 H TRP A 84 10.010 -11.015 -30.894 1.00 34.42 H new ATOM 0 HA TRP A 84 7.766 -11.608 -29.261 1.00 1.04 H new ATOM 0 HB2 TRP A 84 7.514 -11.195 -31.629 1.00 61.34 H new ATOM 0 HB3 TRP A 84 8.653 -12.462 -32.038 1.00 61.34 H new ATOM 0 HD1 TRP A 84 7.728 -14.954 -32.164 1.00 72.24 H new ATOM 0 HE1 TRP A 84 5.367 -16.008 -32.046 1.00 45.02 H new ATOM 0 HE3 TRP A 84 5.177 -10.887 -30.411 1.00 23.11 H new ATOM 0 HZ2 TRP A 84 2.789 -15.174 -31.293 1.00 42.34 H new ATOM 0 HZ3 TRP A 84 2.757 -11.092 -30.015 1.00 55.12 H new ATOM 0 HH2 TRP A 84 1.579 -13.208 -30.450 1.00 34.40 H new ATOM 1303 N GLY A 85 9.761 -14.144 -30.012 1.00 44.23 N ATOM 1304 CA GLY A 85 10.132 -15.480 -29.585 1.00 73.42 C ATOM 1305 C GLY A 85 10.448 -15.549 -28.104 1.00 45.15 C ATOM 1306 O GLY A 85 10.169 -16.552 -27.448 1.00 64.42 O ATOM 0 H GLY A 85 10.299 -13.781 -30.799 1.00 44.23 H new ATOM 0 HA2 GLY A 85 9.319 -16.170 -29.812 1.00 73.42 H new ATOM 0 HA3 GLY A 85 11.000 -15.812 -30.154 1.00 73.42 H new ATOM 1310 N VAL A 86 11.035 -14.479 -27.576 1.00 71.31 N ATOM 1311 CA VAL A 86 11.391 -14.422 -26.163 1.00 72.24 C ATOM 1312 C VAL A 86 10.189 -14.036 -25.309 1.00 52.30 C ATOM 1313 O VAL A 86 10.046 -14.495 -24.177 1.00 32.45 O ATOM 1314 CB VAL A 86 12.530 -13.417 -25.912 1.00 2.32 C ATOM 1315 CG1 VAL A 86 12.864 -13.348 -24.429 1.00 41.35 C ATOM 1316 CG2 VAL A 86 13.759 -13.790 -26.727 1.00 22.12 C ATOM 0 H VAL A 86 11.274 -13.640 -28.105 1.00 71.31 H new ATOM 0 HA VAL A 86 11.728 -15.419 -25.880 1.00 72.24 H new ATOM 0 HB VAL A 86 12.197 -12.430 -26.231 1.00 2.32 H new ATOM 0 HG11 VAL A 86 13.671 -12.633 -24.271 1.00 41.35 H new ATOM 0 HG12 VAL A 86 11.983 -13.030 -23.872 1.00 41.35 H new ATOM 0 HG13 VAL A 86 13.178 -14.332 -24.081 1.00 41.35 H new ATOM 0 HG21 VAL A 86 14.554 -13.069 -26.537 1.00 22.12 H new ATOM 0 HG22 VAL A 86 14.097 -14.786 -26.441 1.00 22.12 H new ATOM 0 HG23 VAL A 86 13.508 -13.783 -27.788 1.00 22.12 H new ATOM 1326 N ALA A 87 9.326 -13.188 -25.860 1.00 43.10 N ATOM 1327 CA ALA A 87 8.135 -12.741 -25.150 1.00 35.24 C ATOM 1328 C ALA A 87 7.266 -13.924 -24.736 1.00 70.41 C ATOM 1329 O ALA A 87 6.993 -14.121 -23.552 1.00 70.14 O ATOM 1330 CB ALA A 87 7.337 -11.775 -26.013 1.00 10.45 C ATOM 0 H ALA A 87 9.430 -12.797 -26.796 1.00 43.10 H new ATOM 0 HA ALA A 87 8.455 -12.224 -24.245 1.00 35.24 H new ATOM 0 HB1 ALA A 87 6.450 -11.449 -25.470 1.00 10.45 H new ATOM 0 HB2 ALA A 87 7.953 -10.909 -26.254 1.00 10.45 H new ATOM 0 HB3 ALA A 87 7.036 -12.274 -26.934 1.00 10.45 H new ATOM 1336 N GLN A 88 6.835 -14.708 -25.719 1.00 72.12 N ATOM 1337 CA GLN A 88 5.996 -15.871 -25.456 1.00 73.20 C ATOM 1338 C GLN A 88 6.659 -16.804 -24.448 1.00 13.11 C ATOM 1339 O GLN A 88 6.010 -17.298 -23.527 1.00 21.54 O ATOM 1340 CB GLN A 88 5.711 -16.625 -26.756 1.00 33.41 C ATOM 1341 CG GLN A 88 6.962 -16.964 -27.550 1.00 22.34 C ATOM 1342 CD GLN A 88 6.649 -17.610 -28.885 1.00 24.00 C ATOM 1343 OE1 GLN A 88 5.750 -16.995 -29.644 1.00 13.42 O flip ATOM 1344 NE2 GLN A 88 7.210 -18.651 -29.231 1.00 41.01 N flip ATOM 0 H GLN A 88 7.053 -14.559 -26.704 1.00 72.12 H new ATOM 0 HA GLN A 88 5.054 -15.520 -25.034 1.00 73.20 H new ATOM 0 HB2 GLN A 88 5.178 -17.547 -26.522 1.00 33.41 H new ATOM 0 HB3 GLN A 88 5.048 -16.023 -27.378 1.00 33.41 H new ATOM 0 HG2 GLN A 88 7.539 -16.055 -27.717 1.00 22.34 H new ATOM 0 HG3 GLN A 88 7.589 -17.636 -26.964 1.00 22.34 H new ATOM 0 HE21 GLN A 88 7.895 -19.090 -28.616 1.00 41.01 H new ATOM 0 HE22 GLN A 88 6.989 -19.074 -30.133 1.00 41.01 H new ATOM 1353 N GLU A 89 7.954 -17.040 -24.630 1.00 43.41 N ATOM 1354 CA GLU A 89 8.704 -17.914 -23.736 1.00 70.43 C ATOM 1355 C GLU A 89 8.662 -17.393 -22.303 1.00 2.41 C ATOM 1356 O GLU A 89 8.527 -18.164 -21.354 1.00 23.40 O ATOM 1357 CB GLU A 89 10.156 -18.036 -24.204 1.00 53.44 C ATOM 1358 CG GLU A 89 10.307 -18.738 -25.543 1.00 71.41 C ATOM 1359 CD GLU A 89 10.454 -20.241 -25.400 1.00 10.22 C ATOM 1360 OE1 GLU A 89 9.576 -20.865 -24.767 1.00 50.54 O ATOM 1361 OE2 GLU A 89 11.446 -20.793 -25.919 1.00 42.34 O ATOM 0 H GLU A 89 8.506 -16.638 -25.388 1.00 43.41 H new ATOM 0 HA GLU A 89 8.239 -18.899 -23.759 1.00 70.43 H new ATOM 0 HB2 GLU A 89 10.591 -17.039 -24.275 1.00 53.44 H new ATOM 0 HB3 GLU A 89 10.727 -18.580 -23.452 1.00 53.44 H new ATOM 0 HG2 GLU A 89 9.438 -18.519 -26.164 1.00 71.41 H new ATOM 0 HG3 GLU A 89 11.179 -18.339 -26.062 1.00 71.41 H new ATOM 1368 N ALA A 90 8.780 -16.077 -22.155 1.00 35.13 N ATOM 1369 CA ALA A 90 8.754 -15.451 -20.839 1.00 32.45 C ATOM 1370 C ALA A 90 7.381 -15.594 -20.190 1.00 1.52 C ATOM 1371 O ALA A 90 7.274 -15.911 -19.005 1.00 2.22 O ATOM 1372 CB ALA A 90 9.140 -13.984 -20.944 1.00 42.43 C ATOM 0 H ALA A 90 8.894 -15.424 -22.930 1.00 35.13 H new ATOM 0 HA ALA A 90 9.481 -15.962 -20.207 1.00 32.45 H new ATOM 0 HB1 ALA A 90 9.116 -13.530 -19.953 1.00 42.43 H new ATOM 0 HB2 ALA A 90 10.145 -13.901 -21.357 1.00 42.43 H new ATOM 0 HB3 ALA A 90 8.436 -13.468 -21.597 1.00 42.43 H new ATOM 1378 N ILE A 91 6.334 -15.356 -20.973 1.00 63.21 N ATOM 1379 CA ILE A 91 4.969 -15.458 -20.474 1.00 34.40 C ATOM 1380 C ILE A 91 4.650 -16.883 -20.033 1.00 54.02 C ATOM 1381 O ILE A 91 3.796 -17.101 -19.174 1.00 61.31 O ATOM 1382 CB ILE A 91 3.946 -15.021 -21.539 1.00 72.42 C ATOM 1383 CG1 ILE A 91 4.207 -13.575 -21.966 1.00 22.52 C ATOM 1384 CG2 ILE A 91 2.529 -15.174 -21.007 1.00 33.30 C ATOM 1385 CD1 ILE A 91 3.654 -13.239 -23.333 1.00 34.32 C ATOM 0 H ILE A 91 6.405 -15.091 -21.955 1.00 63.21 H new ATOM 0 HA ILE A 91 4.896 -14.790 -19.616 1.00 34.40 H new ATOM 0 HB ILE A 91 4.057 -15.664 -22.412 1.00 72.42 H new ATOM 0 HG12 ILE A 91 3.767 -12.902 -21.230 1.00 22.52 H new ATOM 0 HG13 ILE A 91 5.282 -13.392 -21.963 1.00 22.52 H new ATOM 0 HG21 ILE A 91 1.818 -14.861 -21.771 1.00 33.30 H new ATOM 0 HG22 ILE A 91 2.348 -16.217 -20.748 1.00 33.30 H new ATOM 0 HG23 ILE A 91 2.405 -14.553 -20.120 1.00 33.30 H new ATOM 0 HD11 ILE A 91 3.876 -12.198 -23.570 1.00 34.32 H new ATOM 0 HD12 ILE A 91 4.112 -13.887 -24.080 1.00 34.32 H new ATOM 0 HD13 ILE A 91 2.574 -13.389 -23.336 1.00 34.32 H new ATOM 1397 N ALA A 92 5.343 -17.849 -20.627 1.00 33.34 N ATOM 1398 CA ALA A 92 5.136 -19.253 -20.293 1.00 23.04 C ATOM 1399 C ALA A 92 5.808 -19.607 -18.970 1.00 65.45 C ATOM 1400 O ALA A 92 5.195 -20.221 -18.097 1.00 23.52 O ATOM 1401 CB ALA A 92 5.661 -20.144 -21.409 1.00 11.20 C ATOM 0 H ALA A 92 6.052 -17.685 -21.342 1.00 33.34 H new ATOM 0 HA ALA A 92 4.065 -19.421 -20.183 1.00 23.04 H new ATOM 0 HB1 ALA A 92 5.500 -21.189 -21.146 1.00 11.20 H new ATOM 0 HB2 ALA A 92 5.132 -19.917 -22.335 1.00 11.20 H new ATOM 0 HB3 ALA A 92 6.727 -19.965 -21.547 1.00 11.20 H new ATOM 1407 N ILE A 93 7.071 -19.217 -18.831 1.00 30.42 N ATOM 1408 CA ILE A 93 7.825 -19.494 -17.615 1.00 24.13 C ATOM 1409 C ILE A 93 7.323 -18.646 -16.451 1.00 73.31 C ATOM 1410 O ILE A 93 7.373 -19.066 -15.296 1.00 24.31 O ATOM 1411 CB ILE A 93 9.330 -19.232 -17.814 1.00 31.23 C ATOM 1412 CG1 ILE A 93 9.566 -17.779 -18.231 1.00 21.13 C ATOM 1413 CG2 ILE A 93 9.901 -20.186 -18.852 1.00 31.40 C ATOM 1414 CD1 ILE A 93 11.025 -17.440 -18.440 1.00 63.24 C ATOM 0 H ILE A 93 7.593 -18.709 -19.545 1.00 30.42 H new ATOM 0 HA ILE A 93 7.675 -20.549 -17.384 1.00 24.13 H new ATOM 0 HB ILE A 93 9.842 -19.407 -16.868 1.00 31.23 H new ATOM 0 HG12 ILE A 93 9.020 -17.581 -19.153 1.00 21.13 H new ATOM 0 HG13 ILE A 93 9.154 -17.119 -17.468 1.00 21.13 H new ATOM 0 HG21 ILE A 93 10.965 -19.988 -18.981 1.00 31.40 H new ATOM 0 HG22 ILE A 93 9.761 -21.214 -18.518 1.00 31.40 H new ATOM 0 HG23 ILE A 93 9.387 -20.040 -19.802 1.00 31.40 H new ATOM 0 HD11 ILE A 93 11.117 -16.394 -18.734 1.00 63.24 H new ATOM 0 HD12 ILE A 93 11.574 -17.606 -17.513 1.00 63.24 H new ATOM 0 HD13 ILE A 93 11.437 -18.075 -19.224 1.00 63.24 H new ATOM 1426 N GLY A 94 6.835 -17.450 -16.765 1.00 3.41 N ATOM 1427 CA GLY A 94 6.328 -16.562 -15.735 1.00 43.30 C ATOM 1428 C GLY A 94 7.242 -15.378 -15.489 1.00 3.21 C ATOM 1429 O GLY A 94 7.591 -15.081 -14.347 1.00 33.15 O ATOM 0 H GLY A 94 6.782 -17.080 -17.714 1.00 3.41 H new ATOM 0 HA2 GLY A 94 5.341 -16.201 -16.024 1.00 43.30 H new ATOM 0 HA3 GLY A 94 6.204 -17.120 -14.807 1.00 43.30 H new ATOM 1433 N ALA A 95 7.633 -14.700 -16.563 1.00 60.45 N ATOM 1434 CA ALA A 95 8.512 -13.542 -16.459 1.00 31.34 C ATOM 1435 C ALA A 95 7.872 -12.442 -15.618 1.00 64.22 C ATOM 1436 O ALA A 95 6.775 -12.611 -15.086 1.00 22.41 O ATOM 1437 CB ALA A 95 8.860 -13.017 -17.843 1.00 54.44 C ATOM 0 H ALA A 95 7.354 -14.933 -17.516 1.00 60.45 H new ATOM 0 HA ALA A 95 9.430 -13.856 -15.962 1.00 31.34 H new ATOM 0 HB1 ALA A 95 9.517 -12.152 -17.750 1.00 54.44 H new ATOM 0 HB2 ALA A 95 9.366 -13.797 -18.412 1.00 54.44 H new ATOM 0 HB3 ALA A 95 7.947 -12.725 -18.361 1.00 54.44 H new ATOM 1443 N LYS A 96 8.565 -11.314 -15.502 1.00 64.51 N ATOM 1444 CA LYS A 96 8.066 -10.185 -14.727 1.00 32.33 C ATOM 1445 C LYS A 96 8.216 -8.882 -15.505 1.00 1.12 C ATOM 1446 O LYS A 96 7.327 -8.030 -15.487 1.00 44.42 O ATOM 1447 CB LYS A 96 8.812 -10.085 -13.394 1.00 72.13 C ATOM 1448 CG LYS A 96 8.353 -11.101 -12.363 1.00 22.14 C ATOM 1449 CD LYS A 96 9.225 -11.065 -11.119 1.00 20.04 C ATOM 1450 CE LYS A 96 8.796 -9.957 -10.169 1.00 40.23 C ATOM 1451 NZ LYS A 96 7.541 -10.301 -9.446 1.00 33.00 N ATOM 0 H LYS A 96 9.475 -11.158 -15.936 1.00 64.51 H new ATOM 0 HA LYS A 96 7.007 -10.351 -14.532 1.00 32.33 H new ATOM 0 HB2 LYS A 96 9.879 -10.218 -13.573 1.00 72.13 H new ATOM 0 HB3 LYS A 96 8.680 -9.082 -12.988 1.00 72.13 H new ATOM 0 HG2 LYS A 96 7.317 -10.900 -12.089 1.00 22.14 H new ATOM 0 HG3 LYS A 96 8.379 -12.100 -12.798 1.00 22.14 H new ATOM 0 HD2 LYS A 96 9.170 -12.026 -10.607 1.00 20.04 H new ATOM 0 HD3 LYS A 96 10.266 -10.916 -11.407 1.00 20.04 H new ATOM 0 HE2 LYS A 96 9.591 -9.769 -9.447 1.00 40.23 H new ATOM 0 HE3 LYS A 96 8.650 -9.034 -10.730 1.00 40.23 H new ATOM 0 HZ1 LYS A 96 7.391 -9.625 -8.670 1.00 33.00 H new ATOM 0 HZ2 LYS A 96 6.737 -10.256 -10.105 1.00 33.00 H new ATOM 0 HZ3 LYS A 96 7.617 -11.263 -9.058 1.00 33.00 H new ATOM 1465 N THR A 97 9.346 -8.733 -16.189 1.00 63.30 N ATOM 1466 CA THR A 97 9.613 -7.534 -16.974 1.00 33.43 C ATOM 1467 C THR A 97 10.154 -7.890 -18.354 1.00 15.40 C ATOM 1468 O THR A 97 10.681 -8.983 -18.563 1.00 11.00 O ATOM 1469 CB THR A 97 10.619 -6.610 -16.263 1.00 10.21 C ATOM 1470 OG1 THR A 97 10.481 -6.735 -14.843 1.00 54.51 O ATOM 1471 CG2 THR A 97 10.405 -5.161 -16.673 1.00 44.40 C ATOM 0 H THR A 97 10.092 -9.428 -16.215 1.00 63.30 H new ATOM 0 HA THR A 97 8.664 -7.009 -17.083 1.00 33.43 H new ATOM 0 HB THR A 97 11.625 -6.910 -16.557 1.00 10.21 H new ATOM 0 HG1 THR A 97 11.159 -7.355 -14.502 1.00 54.51 H new ATOM 0 HG21 THR A 97 11.127 -4.527 -16.158 1.00 44.40 H new ATOM 0 HG22 THR A 97 10.540 -5.064 -17.750 1.00 44.40 H new ATOM 0 HG23 THR A 97 9.395 -4.852 -16.405 1.00 44.40 H new ATOM 1479 N LEU A 98 10.020 -6.960 -19.293 1.00 43.05 N ATOM 1480 CA LEU A 98 10.497 -7.175 -20.655 1.00 51.24 C ATOM 1481 C LEU A 98 11.072 -5.889 -21.240 1.00 50.24 C ATOM 1482 O LEU A 98 10.361 -4.897 -21.404 1.00 33.44 O ATOM 1483 CB LEU A 98 9.359 -7.687 -21.540 1.00 51.22 C ATOM 1484 CG LEU A 98 9.775 -8.508 -22.761 1.00 43.10 C ATOM 1485 CD1 LEU A 98 9.977 -9.966 -22.380 1.00 33.30 C ATOM 1486 CD2 LEU A 98 8.738 -8.382 -23.867 1.00 70.23 C ATOM 0 H LEU A 98 9.585 -6.051 -19.137 1.00 43.05 H new ATOM 0 HA LEU A 98 11.289 -7.923 -20.622 1.00 51.24 H new ATOM 0 HB2 LEU A 98 8.695 -8.296 -20.927 1.00 51.22 H new ATOM 0 HB3 LEU A 98 8.779 -6.830 -21.884 1.00 51.22 H new ATOM 0 HG LEU A 98 10.722 -8.117 -23.133 1.00 43.10 H new ATOM 0 HD11 LEU A 98 10.273 -10.535 -23.262 1.00 33.30 H new ATOM 0 HD12 LEU A 98 10.757 -10.039 -21.622 1.00 33.30 H new ATOM 0 HD13 LEU A 98 9.046 -10.371 -21.983 1.00 33.30 H new ATOM 0 HD21 LEU A 98 9.051 -8.973 -24.728 1.00 70.23 H new ATOM 0 HD22 LEU A 98 7.776 -8.746 -23.507 1.00 70.23 H new ATOM 0 HD23 LEU A 98 8.643 -7.336 -24.160 1.00 70.23 H new ATOM 1498 N TRP A 99 12.362 -5.914 -21.556 1.00 12.34 N ATOM 1499 CA TRP A 99 13.032 -4.750 -22.125 1.00 12.01 C ATOM 1500 C TRP A 99 13.481 -5.026 -23.556 1.00 32.24 C ATOM 1501 O TRP A 99 14.078 -6.066 -23.840 1.00 15.42 O ATOM 1502 CB TRP A 99 14.235 -4.358 -21.266 1.00 43.02 C ATOM 1503 CG TRP A 99 14.358 -2.879 -21.054 1.00 75.35 C ATOM 1504 CD1 TRP A 99 15.245 -2.035 -21.659 1.00 73.33 C ATOM 1505 CD2 TRP A 99 13.567 -2.071 -20.175 1.00 65.34 C ATOM 1506 NE1 TRP A 99 15.054 -0.751 -21.209 1.00 73.21 N ATOM 1507 CE2 TRP A 99 14.030 -0.746 -20.299 1.00 21.51 C ATOM 1508 CE3 TRP A 99 12.513 -2.337 -19.298 1.00 21.32 C ATOM 1509 CZ2 TRP A 99 13.474 0.306 -19.576 1.00 45.03 C ATOM 1510 CZ3 TRP A 99 11.963 -1.292 -18.581 1.00 51.32 C ATOM 1511 CH2 TRP A 99 12.443 0.017 -18.724 1.00 65.23 C ATOM 0 H TRP A 99 12.965 -6.727 -21.428 1.00 12.34 H new ATOM 0 HA TRP A 99 12.321 -3.924 -22.140 1.00 12.01 H new ATOM 0 HB2 TRP A 99 14.156 -4.851 -20.297 1.00 43.02 H new ATOM 0 HB3 TRP A 99 15.145 -4.727 -21.739 1.00 43.02 H new ATOM 0 HD1 TRP A 99 15.987 -2.333 -22.385 1.00 73.33 H new ATOM 0 HE1 TRP A 99 15.588 0.066 -21.505 1.00 73.21 H new ATOM 0 HE3 TRP A 99 12.135 -3.342 -19.182 1.00 21.32 H new ATOM 0 HZ2 TRP A 99 13.844 1.315 -19.684 1.00 45.03 H new ATOM 0 HZ3 TRP A 99 11.149 -1.487 -17.898 1.00 51.32 H new ATOM 0 HH2 TRP A 99 11.991 0.813 -18.151 1.00 65.23 H new ATOM 1522 N LEU A 100 13.191 -4.091 -24.453 1.00 1.51 N ATOM 1523 CA LEU A 100 13.566 -4.233 -25.856 1.00 31.55 C ATOM 1524 C LEU A 100 14.726 -3.308 -26.206 1.00 45.11 C ATOM 1525 O LEU A 100 15.288 -2.644 -25.335 1.00 33.21 O ATOM 1526 CB LEU A 100 12.368 -3.932 -26.757 1.00 54.23 C ATOM 1527 CG LEU A 100 11.129 -4.803 -26.542 1.00 4.42 C ATOM 1528 CD1 LEU A 100 10.063 -4.480 -27.578 1.00 24.44 C ATOM 1529 CD2 LEU A 100 11.499 -6.278 -26.595 1.00 51.23 C ATOM 0 H LEU A 100 12.697 -3.226 -24.234 1.00 1.51 H new ATOM 0 HA LEU A 100 13.885 -5.262 -26.019 1.00 31.55 H new ATOM 0 HB2 LEU A 100 12.084 -2.890 -26.613 1.00 54.23 H new ATOM 0 HB3 LEU A 100 12.685 -4.036 -27.795 1.00 54.23 H new ATOM 0 HG LEU A 100 10.723 -4.587 -25.554 1.00 4.42 H new ATOM 0 HD11 LEU A 100 9.189 -5.109 -27.409 1.00 24.44 H new ATOM 0 HD12 LEU A 100 9.777 -3.432 -27.491 1.00 24.44 H new ATOM 0 HD13 LEU A 100 10.458 -4.667 -28.577 1.00 24.44 H new ATOM 0 HD21 LEU A 100 10.606 -6.883 -26.440 1.00 51.23 H new ATOM 0 HD22 LEU A 100 11.930 -6.510 -27.569 1.00 51.23 H new ATOM 0 HD23 LEU A 100 12.227 -6.499 -25.814 1.00 51.23 H new ATOM 1541 N GLN A 101 15.079 -3.268 -27.487 1.00 53.01 N ATOM 1542 CA GLN A 101 16.171 -2.422 -27.952 1.00 65.24 C ATOM 1543 C GLN A 101 15.666 -1.029 -28.313 1.00 60.22 C ATOM 1544 O GLN A 101 14.562 -0.874 -28.837 1.00 31.22 O ATOM 1545 CB GLN A 101 16.857 -3.058 -29.163 1.00 20.32 C ATOM 1546 CG GLN A 101 18.165 -2.385 -29.545 1.00 2.23 C ATOM 1547 CD GLN A 101 19.364 -3.006 -28.856 1.00 3.24 C ATOM 1548 OE1 GLN A 101 20.151 -3.720 -29.478 1.00 4.33 O ATOM 1549 NE2 GLN A 101 19.510 -2.737 -27.563 1.00 51.45 N ATOM 0 H GLN A 101 14.625 -3.812 -28.221 1.00 53.01 H new ATOM 0 HA GLN A 101 16.894 -2.328 -27.141 1.00 65.24 H new ATOM 0 HB2 GLN A 101 17.048 -4.110 -28.951 1.00 20.32 H new ATOM 0 HB3 GLN A 101 16.178 -3.023 -30.015 1.00 20.32 H new ATOM 0 HG2 GLN A 101 18.299 -2.447 -30.625 1.00 2.23 H new ATOM 0 HG3 GLN A 101 18.112 -1.326 -29.290 1.00 2.23 H new ATOM 0 HE21 GLN A 101 18.834 -2.140 -27.087 1.00 51.45 H new ATOM 0 HE22 GLN A 101 20.298 -3.127 -27.047 1.00 51.45 H new ATOM 1558 N LEU A 102 16.480 -0.018 -28.030 1.00 31.31 N ATOM 1559 CA LEU A 102 16.115 1.363 -28.324 1.00 43.23 C ATOM 1560 C LEU A 102 15.724 1.522 -29.790 1.00 14.51 C ATOM 1561 O LEU A 102 16.354 0.949 -30.677 1.00 74.23 O ATOM 1562 CB LEU A 102 17.277 2.300 -27.990 1.00 43.34 C ATOM 1563 CG LEU A 102 17.277 2.894 -26.581 1.00 62.13 C ATOM 1564 CD1 LEU A 102 18.566 3.659 -26.324 1.00 41.14 C ATOM 1565 CD2 LEU A 102 16.069 3.798 -26.384 1.00 5.35 C ATOM 0 H LEU A 102 17.397 -0.129 -27.597 1.00 31.31 H new ATOM 0 HA LEU A 102 15.256 1.625 -27.707 1.00 43.23 H new ATOM 0 HB2 LEU A 102 18.210 1.754 -28.133 1.00 43.34 H new ATOM 0 HB3 LEU A 102 17.274 3.120 -28.708 1.00 43.34 H new ATOM 0 HG LEU A 102 17.215 2.077 -25.862 1.00 62.13 H new ATOM 0 HD11 LEU A 102 18.548 4.075 -25.316 1.00 41.14 H new ATOM 0 HD12 LEU A 102 19.416 2.984 -26.423 1.00 41.14 H new ATOM 0 HD13 LEU A 102 18.660 4.468 -27.048 1.00 41.14 H new ATOM 0 HD21 LEU A 102 16.085 4.212 -25.376 1.00 5.35 H new ATOM 0 HD22 LEU A 102 16.100 4.610 -27.110 1.00 5.35 H new ATOM 0 HD23 LEU A 102 15.155 3.220 -26.524 1.00 5.35 H new ATOM 1577 N GLY A 103 14.679 2.308 -30.036 1.00 63.12 N ATOM 1578 CA GLY A 103 14.223 2.530 -31.396 1.00 11.53 C ATOM 1579 C GLY A 103 13.623 1.285 -32.017 1.00 72.11 C ATOM 1580 O GLY A 103 13.460 1.206 -33.235 1.00 11.42 O ATOM 0 H GLY A 103 14.141 2.794 -29.318 1.00 63.12 H new ATOM 0 HA2 GLY A 103 13.481 3.328 -31.401 1.00 11.53 H new ATOM 0 HA3 GLY A 103 15.060 2.869 -32.006 1.00 11.53 H new ATOM 1584 N VAL A 104 13.294 0.307 -31.179 1.00 62.30 N ATOM 1585 CA VAL A 104 12.709 -0.942 -31.653 1.00 43.10 C ATOM 1586 C VAL A 104 11.405 -1.249 -30.926 1.00 2.14 C ATOM 1587 O VAL A 104 11.410 -1.613 -29.749 1.00 52.41 O ATOM 1588 CB VAL A 104 13.680 -2.123 -31.465 1.00 33.10 C ATOM 1589 CG1 VAL A 104 13.143 -3.370 -32.152 1.00 1.32 C ATOM 1590 CG2 VAL A 104 15.061 -1.766 -31.993 1.00 22.53 C ATOM 0 H VAL A 104 13.423 0.355 -30.168 1.00 62.30 H new ATOM 0 HA VAL A 104 12.507 -0.814 -32.716 1.00 43.10 H new ATOM 0 HB VAL A 104 13.767 -2.334 -30.399 1.00 33.10 H new ATOM 0 HG11 VAL A 104 13.842 -4.194 -32.009 1.00 1.32 H new ATOM 0 HG12 VAL A 104 12.177 -3.635 -31.722 1.00 1.32 H new ATOM 0 HG13 VAL A 104 13.025 -3.176 -33.218 1.00 1.32 H new ATOM 0 HG21 VAL A 104 15.734 -2.612 -31.852 1.00 22.53 H new ATOM 0 HG22 VAL A 104 14.994 -1.528 -33.055 1.00 22.53 H new ATOM 0 HG23 VAL A 104 15.446 -0.902 -31.451 1.00 22.53 H new ATOM 1600 N ILE A 105 10.290 -1.101 -31.633 1.00 44.42 N ATOM 1601 CA ILE A 105 8.979 -1.364 -31.055 1.00 55.20 C ATOM 1602 C ILE A 105 8.302 -2.545 -31.742 1.00 52.24 C ATOM 1603 O ILE A 105 8.167 -2.571 -32.965 1.00 3.41 O ATOM 1604 CB ILE A 105 8.061 -0.131 -31.156 1.00 41.12 C ATOM 1605 CG1 ILE A 105 8.698 1.066 -30.447 1.00 22.33 C ATOM 1606 CG2 ILE A 105 6.694 -0.438 -30.564 1.00 72.12 C ATOM 1607 CD1 ILE A 105 8.108 2.396 -30.857 1.00 53.44 C ATOM 0 H ILE A 105 10.269 -0.800 -32.607 1.00 44.42 H new ATOM 0 HA ILE A 105 9.140 -1.602 -30.004 1.00 55.20 H new ATOM 0 HB ILE A 105 7.931 0.121 -32.208 1.00 41.12 H new ATOM 0 HG12 ILE A 105 8.583 0.943 -29.370 1.00 22.33 H new ATOM 0 HG13 ILE A 105 9.768 1.073 -30.654 1.00 22.33 H new ATOM 0 HG21 ILE A 105 6.057 0.443 -30.643 1.00 72.12 H new ATOM 0 HG22 ILE A 105 6.239 -1.265 -31.109 1.00 72.12 H new ATOM 0 HG23 ILE A 105 6.805 -0.713 -29.515 1.00 72.12 H new ATOM 0 HD11 ILE A 105 8.608 3.198 -30.314 1.00 53.44 H new ATOM 0 HD12 ILE A 105 8.247 2.541 -31.928 1.00 53.44 H new ATOM 0 HD13 ILE A 105 7.043 2.409 -30.624 1.00 53.44 H new ATOM 1619 N ASN A 106 7.876 -3.521 -30.947 1.00 11.31 N ATOM 1620 CA ASN A 106 7.211 -4.705 -31.479 1.00 2.15 C ATOM 1621 C ASN A 106 5.742 -4.735 -31.068 1.00 2.23 C ATOM 1622 O ASN A 106 5.404 -5.175 -29.970 1.00 10.15 O ATOM 1623 CB ASN A 106 7.915 -5.973 -30.990 1.00 52.31 C ATOM 1624 CG ASN A 106 9.165 -6.285 -31.790 1.00 12.11 C ATOM 1625 OD1 ASN A 106 10.174 -5.588 -31.683 1.00 52.42 O ATOM 1626 ND2 ASN A 106 9.103 -7.338 -32.597 1.00 51.52 N ATOM 0 H ASN A 106 7.979 -3.515 -29.932 1.00 11.31 H new ATOM 0 HA ASN A 106 7.265 -4.664 -32.567 1.00 2.15 H new ATOM 0 HB2 ASN A 106 8.179 -5.856 -29.939 1.00 52.31 H new ATOM 0 HB3 ASN A 106 7.226 -6.815 -31.054 1.00 52.31 H new ATOM 0 HD21 ASN A 106 9.913 -7.597 -33.160 1.00 51.52 H new ATOM 0 HD22 ASN A 106 8.245 -7.887 -32.654 1.00 51.52 H new ATOM 1633 N GLU A 107 4.875 -4.264 -31.958 1.00 54.11 N ATOM 1634 CA GLU A 107 3.442 -4.237 -31.687 1.00 50.24 C ATOM 1635 C GLU A 107 2.947 -5.609 -31.238 1.00 41.33 C ATOM 1636 O GLU A 107 2.078 -5.713 -30.373 1.00 41.02 O ATOM 1637 CB GLU A 107 2.674 -3.788 -32.932 1.00 54.40 C ATOM 1638 CG GLU A 107 1.164 -3.857 -32.773 1.00 61.25 C ATOM 1639 CD GLU A 107 0.425 -3.424 -34.025 1.00 65.41 C ATOM 1640 OE1 GLU A 107 0.966 -2.583 -34.772 1.00 52.53 O ATOM 1641 OE2 GLU A 107 -0.693 -3.928 -34.257 1.00 35.40 O ATOM 0 H GLU A 107 5.139 -3.896 -32.872 1.00 54.11 H new ATOM 0 HA GLU A 107 3.264 -3.524 -30.882 1.00 50.24 H new ATOM 0 HB2 GLU A 107 2.959 -2.764 -33.175 1.00 54.40 H new ATOM 0 HB3 GLU A 107 2.971 -4.410 -33.776 1.00 54.40 H new ATOM 0 HG2 GLU A 107 0.875 -4.877 -32.520 1.00 61.25 H new ATOM 0 HG3 GLU A 107 0.861 -3.224 -31.939 1.00 61.25 H new ATOM 1648 N GLN A 108 3.507 -6.657 -31.833 1.00 72.14 N ATOM 1649 CA GLN A 108 3.122 -8.022 -31.496 1.00 34.23 C ATOM 1650 C GLN A 108 3.692 -8.429 -30.141 1.00 73.40 C ATOM 1651 O GLN A 108 2.970 -8.928 -29.278 1.00 3.35 O ATOM 1652 CB GLN A 108 3.601 -8.992 -32.577 1.00 24.23 C ATOM 1653 CG GLN A 108 2.470 -9.675 -33.327 1.00 35.51 C ATOM 1654 CD GLN A 108 1.755 -8.741 -34.283 1.00 44.22 C ATOM 1655 OE1 GLN A 108 2.186 -8.551 -35.421 1.00 52.41 O ATOM 1656 NE2 GLN A 108 0.657 -8.151 -33.826 1.00 21.13 N ATOM 0 H GLN A 108 4.229 -6.587 -32.551 1.00 72.14 H new ATOM 0 HA GLN A 108 2.034 -8.062 -31.439 1.00 34.23 H new ATOM 0 HB2 GLN A 108 4.223 -8.450 -33.290 1.00 24.23 H new ATOM 0 HB3 GLN A 108 4.232 -9.753 -32.117 1.00 24.23 H new ATOM 0 HG2 GLN A 108 2.869 -10.523 -33.884 1.00 35.51 H new ATOM 0 HG3 GLN A 108 1.752 -10.074 -32.610 1.00 35.51 H new ATOM 0 HE21 GLN A 108 0.336 -8.337 -32.876 1.00 21.13 H new ATOM 0 HE22 GLN A 108 0.135 -7.511 -34.425 1.00 21.13 H new ATOM 1665 N ALA A 109 4.991 -8.214 -29.963 1.00 30.25 N ATOM 1666 CA ALA A 109 5.657 -8.557 -28.712 1.00 65.34 C ATOM 1667 C ALA A 109 4.979 -7.882 -27.525 1.00 71.43 C ATOM 1668 O ALA A 109 5.019 -8.390 -26.405 1.00 13.22 O ATOM 1669 CB ALA A 109 7.127 -8.168 -28.774 1.00 22.31 C ATOM 0 H ALA A 109 5.603 -7.804 -30.669 1.00 30.25 H new ATOM 0 HA ALA A 109 5.583 -9.636 -28.573 1.00 65.34 H new ATOM 0 HB1 ALA A 109 7.613 -8.429 -27.834 1.00 22.31 H new ATOM 0 HB2 ALA A 109 7.610 -8.701 -29.593 1.00 22.31 H new ATOM 0 HB3 ALA A 109 7.213 -7.094 -28.940 1.00 22.31 H new ATOM 1675 N ALA A 110 4.357 -6.735 -27.779 1.00 21.55 N ATOM 1676 CA ALA A 110 3.669 -5.992 -26.731 1.00 32.14 C ATOM 1677 C ALA A 110 2.355 -6.667 -26.351 1.00 50.12 C ATOM 1678 O ALA A 110 1.988 -6.718 -25.177 1.00 51.23 O ATOM 1679 CB ALA A 110 3.419 -4.559 -27.177 1.00 73.23 C ATOM 0 H ALA A 110 4.316 -6.301 -28.701 1.00 21.55 H new ATOM 0 HA ALA A 110 4.309 -5.980 -25.849 1.00 32.14 H new ATOM 0 HB1 ALA A 110 2.904 -4.016 -26.384 1.00 73.23 H new ATOM 0 HB2 ALA A 110 4.371 -4.073 -27.391 1.00 73.23 H new ATOM 0 HB3 ALA A 110 2.802 -4.560 -28.076 1.00 73.23 H new ATOM 1685 N VAL A 111 1.650 -7.184 -27.353 1.00 13.45 N ATOM 1686 CA VAL A 111 0.376 -7.856 -27.124 1.00 3.15 C ATOM 1687 C VAL A 111 0.561 -9.106 -26.271 1.00 75.31 C ATOM 1688 O VAL A 111 -0.183 -9.335 -25.316 1.00 70.21 O ATOM 1689 CB VAL A 111 -0.298 -8.248 -28.452 1.00 31.14 C ATOM 1690 CG1 VAL A 111 -1.702 -8.777 -28.202 1.00 13.41 C ATOM 1691 CG2 VAL A 111 -0.327 -7.062 -29.404 1.00 73.53 C ATOM 0 H VAL A 111 1.939 -7.150 -28.330 1.00 13.45 H new ATOM 0 HA VAL A 111 -0.265 -7.150 -26.595 1.00 3.15 H new ATOM 0 HB VAL A 111 0.286 -9.043 -28.916 1.00 31.14 H new ATOM 0 HG11 VAL A 111 -2.163 -9.049 -29.152 1.00 13.41 H new ATOM 0 HG12 VAL A 111 -1.651 -9.656 -27.559 1.00 13.41 H new ATOM 0 HG13 VAL A 111 -2.300 -8.006 -27.716 1.00 13.41 H new ATOM 0 HG21 VAL A 111 -0.807 -7.356 -30.338 1.00 73.53 H new ATOM 0 HG22 VAL A 111 -0.887 -6.245 -28.950 1.00 73.53 H new ATOM 0 HG23 VAL A 111 0.692 -6.734 -29.608 1.00 73.53 H new ATOM 1701 N LEU A 112 1.556 -9.913 -26.621 1.00 41.05 N ATOM 1702 CA LEU A 112 1.840 -11.142 -25.888 1.00 14.30 C ATOM 1703 C LEU A 112 1.966 -10.867 -24.393 1.00 44.50 C ATOM 1704 O LEU A 112 1.260 -11.462 -23.580 1.00 63.42 O ATOM 1705 CB LEU A 112 3.125 -11.786 -26.410 1.00 41.33 C ATOM 1706 CG LEU A 112 2.962 -13.131 -27.119 1.00 52.44 C ATOM 1707 CD1 LEU A 112 4.266 -13.547 -27.781 1.00 42.12 C ATOM 1708 CD2 LEU A 112 2.495 -14.197 -26.139 1.00 53.04 C ATOM 0 H LEU A 112 2.180 -9.738 -27.408 1.00 41.05 H new ATOM 0 HA LEU A 112 1.008 -11.829 -26.044 1.00 14.30 H new ATOM 0 HB2 LEU A 112 3.602 -11.090 -27.100 1.00 41.33 H new ATOM 0 HB3 LEU A 112 3.807 -11.921 -25.571 1.00 41.33 H new ATOM 0 HG LEU A 112 2.204 -13.022 -27.895 1.00 52.44 H new ATOM 0 HD11 LEU A 112 4.131 -14.506 -28.280 1.00 42.12 H new ATOM 0 HD12 LEU A 112 4.558 -12.795 -28.513 1.00 42.12 H new ATOM 0 HD13 LEU A 112 5.045 -13.639 -27.024 1.00 42.12 H new ATOM 0 HD21 LEU A 112 2.384 -15.148 -26.661 1.00 53.04 H new ATOM 0 HD22 LEU A 112 3.230 -14.305 -25.341 1.00 53.04 H new ATOM 0 HD23 LEU A 112 1.536 -13.904 -25.712 1.00 53.04 H new ATOM 1720 N ALA A 113 2.869 -9.958 -24.038 1.00 65.42 N ATOM 1721 CA ALA A 113 3.086 -9.601 -22.642 1.00 14.12 C ATOM 1722 C ALA A 113 1.843 -8.951 -22.043 1.00 32.33 C ATOM 1723 O ALA A 113 1.565 -9.101 -20.853 1.00 20.03 O ATOM 1724 CB ALA A 113 4.283 -8.671 -22.514 1.00 61.02 C ATOM 0 H ALA A 113 3.462 -9.456 -24.699 1.00 65.42 H new ATOM 0 HA ALA A 113 3.290 -10.516 -22.086 1.00 14.12 H new ATOM 0 HB1 ALA A 113 4.433 -8.413 -21.466 1.00 61.02 H new ATOM 0 HB2 ALA A 113 5.174 -9.170 -22.896 1.00 61.02 H new ATOM 0 HB3 ALA A 113 4.101 -7.763 -23.089 1.00 61.02 H new ATOM 1730 N ARG A 114 1.099 -8.229 -22.874 1.00 70.33 N ATOM 1731 CA ARG A 114 -0.113 -7.555 -22.426 1.00 34.24 C ATOM 1732 C ARG A 114 -1.182 -8.568 -22.026 1.00 13.03 C ATOM 1733 O ARG A 114 -1.959 -8.332 -21.101 1.00 51.32 O ATOM 1734 CB ARG A 114 -0.650 -6.639 -23.527 1.00 13.12 C ATOM 1735 CG ARG A 114 -0.375 -5.165 -23.280 1.00 43.45 C ATOM 1736 CD ARG A 114 -1.260 -4.609 -22.175 1.00 63.45 C ATOM 1737 NE ARG A 114 -0.835 -3.278 -21.751 1.00 22.33 N ATOM 1738 CZ ARG A 114 -1.475 -2.560 -20.835 1.00 2.02 C ATOM 1739 NH1 ARG A 114 -2.563 -3.042 -20.250 1.00 62.44 N ATOM 1740 NH2 ARG A 114 -1.026 -1.356 -20.501 1.00 74.54 N ATOM 0 H ARG A 114 1.315 -8.096 -23.862 1.00 70.33 H new ATOM 0 HA ARG A 114 0.138 -6.953 -21.553 1.00 34.24 H new ATOM 0 HB2 ARG A 114 -0.204 -6.929 -24.479 1.00 13.12 H new ATOM 0 HB3 ARG A 114 -1.726 -6.789 -23.620 1.00 13.12 H new ATOM 0 HG2 ARG A 114 0.673 -5.030 -23.011 1.00 43.45 H new ATOM 0 HG3 ARG A 114 -0.543 -4.604 -24.199 1.00 43.45 H new ATOM 0 HD2 ARG A 114 -2.292 -4.566 -22.524 1.00 63.45 H new ATOM 0 HD3 ARG A 114 -1.241 -5.285 -21.320 1.00 63.45 H new ATOM 0 HE ARG A 114 -0.001 -2.878 -22.182 1.00 22.33 H new ATOM 0 HH11 ARG A 114 -2.911 -3.967 -20.503 1.00 62.44 H new ATOM 0 HH12 ARG A 114 -3.052 -2.488 -19.547 1.00 62.44 H new ATOM 0 HH21 ARG A 114 -0.189 -0.982 -20.948 1.00 74.54 H new ATOM 0 HH22 ARG A 114 -1.518 -0.805 -19.797 1.00 74.54 H new ATOM 1754 N GLU A 115 -1.215 -9.695 -22.729 1.00 61.44 N ATOM 1755 CA GLU A 115 -2.190 -10.743 -22.448 1.00 5.21 C ATOM 1756 C GLU A 115 -1.992 -11.307 -21.044 1.00 12.54 C ATOM 1757 O GLU A 115 -2.949 -11.461 -20.285 1.00 61.13 O ATOM 1758 CB GLU A 115 -2.077 -11.866 -23.481 1.00 22.13 C ATOM 1759 CG GLU A 115 -2.926 -11.641 -24.720 1.00 41.44 C ATOM 1760 CD GLU A 115 -3.195 -12.923 -25.484 1.00 15.40 C ATOM 1761 OE1 GLU A 115 -3.896 -13.801 -24.939 1.00 31.04 O ATOM 1762 OE2 GLU A 115 -2.706 -13.048 -26.626 1.00 12.11 O ATOM 0 H GLU A 115 -0.578 -9.906 -23.497 1.00 61.44 H new ATOM 0 HA GLU A 115 -3.186 -10.303 -22.508 1.00 5.21 H new ATOM 0 HB2 GLU A 115 -1.034 -11.970 -23.780 1.00 22.13 H new ATOM 0 HB3 GLU A 115 -2.371 -12.807 -23.016 1.00 22.13 H new ATOM 0 HG2 GLU A 115 -3.875 -11.190 -24.429 1.00 41.44 H new ATOM 0 HG3 GLU A 115 -2.423 -10.930 -25.376 1.00 41.44 H new ATOM 1769 N ALA A 116 -0.744 -11.612 -20.705 1.00 61.22 N ATOM 1770 CA ALA A 116 -0.420 -12.157 -19.393 1.00 21.23 C ATOM 1771 C ALA A 116 -0.356 -11.055 -18.341 1.00 40.20 C ATOM 1772 O ALA A 116 -0.535 -11.308 -17.150 1.00 62.15 O ATOM 1773 CB ALA A 116 0.898 -12.915 -19.447 1.00 24.04 C ATOM 0 H ALA A 116 0.060 -11.491 -21.321 1.00 61.22 H new ATOM 0 HA ALA A 116 -1.213 -12.849 -19.109 1.00 21.23 H new ATOM 0 HB1 ALA A 116 1.127 -13.317 -18.460 1.00 24.04 H new ATOM 0 HB2 ALA A 116 0.818 -13.734 -20.162 1.00 24.04 H new ATOM 0 HB3 ALA A 116 1.694 -12.239 -19.758 1.00 24.04 H new ATOM 1779 N GLY A 117 -0.099 -9.830 -18.789 1.00 42.32 N ATOM 1780 CA GLY A 117 -0.015 -8.707 -17.873 1.00 61.13 C ATOM 1781 C GLY A 117 1.414 -8.265 -17.628 1.00 10.33 C ATOM 1782 O GLY A 117 1.657 -7.298 -16.903 1.00 70.54 O ATOM 0 H GLY A 117 0.053 -9.595 -19.770 1.00 42.32 H new ATOM 0 HA2 GLY A 117 -0.587 -7.871 -18.275 1.00 61.13 H new ATOM 0 HA3 GLY A 117 -0.475 -8.981 -16.924 1.00 61.13 H new ATOM 1786 N LEU A 118 2.363 -8.973 -18.230 1.00 74.02 N ATOM 1787 CA LEU A 118 3.776 -8.649 -18.072 1.00 62.12 C ATOM 1788 C LEU A 118 4.035 -7.177 -18.376 1.00 13.24 C ATOM 1789 O LEU A 118 3.227 -6.516 -19.028 1.00 13.00 O ATOM 1790 CB LEU A 118 4.627 -9.528 -18.991 1.00 11.11 C ATOM 1791 CG LEU A 118 5.951 -10.024 -18.408 1.00 73.02 C ATOM 1792 CD1 LEU A 118 5.711 -11.172 -17.440 1.00 11.11 C ATOM 1793 CD2 LEU A 118 6.896 -10.451 -19.521 1.00 64.41 C ATOM 0 H LEU A 118 2.179 -9.775 -18.832 1.00 74.02 H new ATOM 0 HA LEU A 118 4.053 -8.841 -17.036 1.00 62.12 H new ATOM 0 HB2 LEU A 118 4.034 -10.395 -19.283 1.00 11.11 H new ATOM 0 HB3 LEU A 118 4.841 -8.967 -19.901 1.00 11.11 H new ATOM 0 HG LEU A 118 6.415 -9.204 -17.859 1.00 73.02 H new ATOM 0 HD11 LEU A 118 6.664 -11.512 -17.035 1.00 11.11 H new ATOM 0 HD12 LEU A 118 5.071 -10.833 -16.625 1.00 11.11 H new ATOM 0 HD13 LEU A 118 5.226 -11.995 -17.965 1.00 11.11 H new ATOM 0 HD21 LEU A 118 7.833 -10.801 -19.088 1.00 64.41 H new ATOM 0 HD22 LEU A 118 6.439 -11.256 -20.097 1.00 64.41 H new ATOM 0 HD23 LEU A 118 7.094 -9.603 -20.176 1.00 64.41 H new ATOM 1805 N SER A 119 5.167 -6.670 -17.900 1.00 5.24 N ATOM 1806 CA SER A 119 5.532 -5.275 -18.118 1.00 42.05 C ATOM 1807 C SER A 119 6.467 -5.140 -19.316 1.00 44.42 C ATOM 1808 O SER A 119 7.681 -5.309 -19.194 1.00 34.14 O ATOM 1809 CB SER A 119 6.199 -4.698 -16.868 1.00 42.04 C ATOM 1810 OG SER A 119 5.851 -3.336 -16.687 1.00 33.42 O ATOM 0 H SER A 119 5.848 -7.204 -17.360 1.00 5.24 H new ATOM 0 HA SER A 119 4.620 -4.715 -18.325 1.00 42.05 H new ATOM 0 HB2 SER A 119 5.897 -5.273 -15.993 1.00 42.04 H new ATOM 0 HB3 SER A 119 7.282 -4.792 -16.953 1.00 42.04 H new ATOM 0 HG SER A 119 5.261 -3.250 -15.909 1.00 33.42 H new ATOM 1816 N VAL A 120 5.894 -4.833 -20.475 1.00 53.24 N ATOM 1817 CA VAL A 120 6.674 -4.673 -21.696 1.00 65.24 C ATOM 1818 C VAL A 120 7.098 -3.222 -21.892 1.00 1.21 C ATOM 1819 O VAL A 120 6.269 -2.312 -21.861 1.00 22.13 O ATOM 1820 CB VAL A 120 5.883 -5.137 -22.934 1.00 13.54 C ATOM 1821 CG1 VAL A 120 4.557 -4.396 -23.027 1.00 62.25 C ATOM 1822 CG2 VAL A 120 6.705 -4.937 -24.198 1.00 1.44 C ATOM 0 H VAL A 120 4.891 -4.690 -20.594 1.00 53.24 H new ATOM 0 HA VAL A 120 7.562 -5.296 -21.587 1.00 65.24 H new ATOM 0 HB VAL A 120 5.672 -6.201 -22.831 1.00 13.54 H new ATOM 0 HG11 VAL A 120 4.011 -4.736 -23.907 1.00 62.25 H new ATOM 0 HG12 VAL A 120 3.965 -4.595 -22.134 1.00 62.25 H new ATOM 0 HG13 VAL A 120 4.743 -3.325 -23.107 1.00 62.25 H new ATOM 0 HG21 VAL A 120 6.130 -5.270 -25.062 1.00 1.44 H new ATOM 0 HG22 VAL A 120 6.949 -3.881 -24.310 1.00 1.44 H new ATOM 0 HG23 VAL A 120 7.625 -5.517 -24.129 1.00 1.44 H new ATOM 1832 N VAL A 121 8.395 -3.012 -22.094 1.00 40.34 N ATOM 1833 CA VAL A 121 8.930 -1.671 -22.297 1.00 13.50 C ATOM 1834 C VAL A 121 9.814 -1.613 -23.538 1.00 30.15 C ATOM 1835 O VAL A 121 10.907 -2.179 -23.560 1.00 13.31 O ATOM 1836 CB VAL A 121 9.744 -1.201 -21.077 1.00 44.11 C ATOM 1837 CG1 VAL A 121 10.132 0.262 -21.225 1.00 44.41 C ATOM 1838 CG2 VAL A 121 8.959 -1.426 -19.794 1.00 11.41 C ATOM 0 H VAL A 121 9.095 -3.754 -22.121 1.00 40.34 H new ATOM 0 HA VAL A 121 8.076 -1.007 -22.432 1.00 13.50 H new ATOM 0 HB VAL A 121 10.659 -1.791 -21.024 1.00 44.11 H new ATOM 0 HG11 VAL A 121 10.706 0.576 -20.354 1.00 44.41 H new ATOM 0 HG12 VAL A 121 10.736 0.389 -22.123 1.00 44.41 H new ATOM 0 HG13 VAL A 121 9.231 0.871 -21.305 1.00 44.41 H new ATOM 0 HG21 VAL A 121 9.549 -1.088 -18.942 1.00 11.41 H new ATOM 0 HG22 VAL A 121 8.026 -0.864 -19.835 1.00 11.41 H new ATOM 0 HG23 VAL A 121 8.738 -2.488 -19.684 1.00 11.41 H new ATOM 1848 N MET A 122 9.334 -0.925 -24.568 1.00 72.44 N ATOM 1849 CA MET A 122 10.082 -0.792 -25.813 1.00 61.40 C ATOM 1850 C MET A 122 10.668 0.609 -25.948 1.00 0.50 C ATOM 1851 O MET A 122 10.372 1.496 -25.147 1.00 14.02 O ATOM 1852 CB MET A 122 9.180 -1.098 -27.010 1.00 63.34 C ATOM 1853 CG MET A 122 7.846 -0.371 -26.968 1.00 31.44 C ATOM 1854 SD MET A 122 6.526 -1.384 -26.272 1.00 54.44 S ATOM 1855 CE MET A 122 5.237 -1.145 -27.494 1.00 24.22 C ATOM 0 H MET A 122 8.431 -0.451 -24.566 1.00 72.44 H new ATOM 0 HA MET A 122 10.903 -1.509 -25.793 1.00 61.40 H new ATOM 0 HB2 MET A 122 9.703 -0.827 -27.927 1.00 63.34 H new ATOM 0 HB3 MET A 122 8.998 -2.172 -27.052 1.00 63.34 H new ATOM 0 HG2 MET A 122 7.951 0.539 -26.377 1.00 31.44 H new ATOM 0 HG3 MET A 122 7.571 -0.066 -27.978 1.00 31.44 H new ATOM 0 HE1 MET A 122 4.262 -1.257 -27.021 1.00 24.22 H new ATOM 0 HE2 MET A 122 5.321 -0.145 -27.920 1.00 24.22 H new ATOM 0 HE3 MET A 122 5.344 -1.887 -28.285 1.00 24.22 H new ATOM 1865 N ASP A 123 11.500 0.802 -26.965 1.00 44.41 N ATOM 1866 CA ASP A 123 12.127 2.097 -27.205 1.00 43.01 C ATOM 1867 C ASP A 123 12.808 2.614 -25.941 1.00 63.55 C ATOM 1868 O ASP A 123 12.771 3.809 -25.649 1.00 22.21 O ATOM 1869 CB ASP A 123 11.088 3.109 -27.689 1.00 52.12 C ATOM 1870 CG ASP A 123 11.706 4.230 -28.501 1.00 52.24 C ATOM 1871 OD1 ASP A 123 11.872 4.053 -29.726 1.00 54.23 O ATOM 1872 OD2 ASP A 123 12.025 5.284 -27.912 1.00 54.31 O ATOM 0 H ASP A 123 11.756 0.078 -27.637 1.00 44.41 H new ATOM 0 HA ASP A 123 12.885 1.968 -27.978 1.00 43.01 H new ATOM 0 HB2 ASP A 123 10.340 2.596 -28.294 1.00 52.12 H new ATOM 0 HB3 ASP A 123 10.568 3.531 -26.829 1.00 52.12 H new ATOM 1877 N ARG A 124 13.429 1.705 -25.196 1.00 74.20 N ATOM 1878 CA ARG A 124 14.116 2.068 -23.963 1.00 12.33 C ATOM 1879 C ARG A 124 15.252 1.094 -23.666 1.00 44.33 C ATOM 1880 O ARG A 124 15.120 -0.112 -23.875 1.00 73.23 O ATOM 1881 CB ARG A 124 13.131 2.090 -22.792 1.00 52.44 C ATOM 1882 CG ARG A 124 13.475 3.117 -21.726 1.00 23.13 C ATOM 1883 CD ARG A 124 13.213 4.534 -22.211 1.00 14.02 C ATOM 1884 NE ARG A 124 14.128 5.498 -21.606 1.00 62.03 N ATOM 1885 CZ ARG A 124 14.313 6.728 -22.072 1.00 53.21 C ATOM 1886 NH1 ARG A 124 13.648 7.142 -23.142 1.00 40.20 N ATOM 1887 NH2 ARG A 124 15.163 7.547 -21.467 1.00 43.40 N ATOM 0 H ARG A 124 13.470 0.712 -25.425 1.00 74.20 H new ATOM 0 HA ARG A 124 14.539 3.064 -24.093 1.00 12.33 H new ATOM 0 HB2 ARG A 124 12.131 2.296 -23.173 1.00 52.44 H new ATOM 0 HB3 ARG A 124 13.101 1.101 -22.335 1.00 52.44 H new ATOM 0 HG2 ARG A 124 12.886 2.924 -20.830 1.00 23.13 H new ATOM 0 HG3 ARG A 124 14.524 3.015 -21.446 1.00 23.13 H new ATOM 0 HD2 ARG A 124 13.314 4.570 -23.296 1.00 14.02 H new ATOM 0 HD3 ARG A 124 12.186 4.813 -21.977 1.00 14.02 H new ATOM 0 HE ARG A 124 14.654 5.211 -20.780 1.00 62.03 H new ATOM 0 HH11 ARG A 124 12.993 6.515 -23.609 1.00 40.20 H new ATOM 0 HH12 ARG A 124 13.792 8.087 -23.498 1.00 40.20 H new ATOM 0 HH21 ARG A 124 15.675 7.232 -20.643 1.00 43.40 H new ATOM 0 HH22 ARG A 124 15.304 8.491 -21.826 1.00 43.40 H new ATOM 1901 N CYS A 125 16.368 1.626 -23.180 1.00 21.05 N ATOM 1902 CA CYS A 125 17.529 0.804 -22.856 1.00 12.13 C ATOM 1903 C CYS A 125 18.046 1.121 -21.456 1.00 43.45 C ATOM 1904 O CYS A 125 17.926 2.243 -20.963 1.00 33.33 O ATOM 1905 CB CYS A 125 18.638 1.024 -23.885 1.00 24.40 C ATOM 1906 SG CYS A 125 18.673 -0.209 -25.208 1.00 11.15 S ATOM 0 H CYS A 125 16.494 2.622 -23.002 1.00 21.05 H new ATOM 0 HA CYS A 125 17.222 -0.242 -22.882 1.00 12.13 H new ATOM 0 HB2 CYS A 125 18.517 2.013 -24.328 1.00 24.40 H new ATOM 0 HB3 CYS A 125 19.600 1.019 -23.373 1.00 24.40 H new ATOM 0 HG CYS A 125 19.643 0.063 -26.029 1.00 11.15 H new ATOM 1912 N PRO A 126 18.636 0.111 -20.800 1.00 74.10 N ATOM 1913 CA PRO A 126 19.182 0.257 -19.448 1.00 3.42 C ATOM 1914 C PRO A 126 20.430 1.133 -19.419 1.00 0.53 C ATOM 1915 O PRO A 126 20.704 1.807 -18.426 1.00 54.41 O ATOM 1916 CB PRO A 126 19.528 -1.179 -19.047 1.00 50.04 C ATOM 1917 CG PRO A 126 19.750 -1.889 -20.338 1.00 43.11 C ATOM 1918 CD PRO A 126 18.814 -1.252 -21.328 1.00 30.24 C ATOM 0 HA PRO A 126 18.477 0.744 -18.774 1.00 3.42 H new ATOM 0 HB2 PRO A 126 20.418 -1.211 -18.419 1.00 50.04 H new ATOM 0 HB3 PRO A 126 18.719 -1.637 -18.477 1.00 50.04 H new ATOM 0 HG2 PRO A 126 20.786 -1.793 -20.663 1.00 43.11 H new ATOM 0 HG3 PRO A 126 19.545 -2.955 -20.237 1.00 43.11 H new ATOM 0 HD2 PRO A 126 19.237 -1.242 -22.332 1.00 30.24 H new ATOM 0 HD3 PRO A 126 17.866 -1.787 -21.387 1.00 30.24 H new ATOM 1926 N ALA A 127 21.183 1.119 -20.514 1.00 0.33 N ATOM 1927 CA ALA A 127 22.400 1.915 -20.614 1.00 64.40 C ATOM 1928 C ALA A 127 22.100 3.401 -20.450 1.00 24.32 C ATOM 1929 O ALA A 127 22.925 4.157 -19.935 1.00 71.41 O ATOM 1930 CB ALA A 127 23.091 1.658 -21.945 1.00 74.54 C ATOM 0 H ALA A 127 20.972 0.565 -21.344 1.00 0.33 H new ATOM 0 HA ALA A 127 23.068 1.615 -19.806 1.00 64.40 H new ATOM 0 HB1 ALA A 127 23.998 2.259 -22.006 1.00 74.54 H new ATOM 0 HB2 ALA A 127 23.349 0.602 -22.023 1.00 74.54 H new ATOM 0 HB3 ALA A 127 22.421 1.929 -22.761 1.00 74.54 H new ATOM 1936 N ILE A 128 20.917 3.813 -20.891 1.00 34.33 N ATOM 1937 CA ILE A 128 20.509 5.209 -20.792 1.00 33.43 C ATOM 1938 C ILE A 128 19.605 5.433 -19.584 1.00 61.01 C ATOM 1939 O ILE A 128 19.494 6.550 -19.079 1.00 72.44 O ATOM 1940 CB ILE A 128 19.772 5.671 -22.063 1.00 4.42 C ATOM 1941 CG1 ILE A 128 20.466 5.119 -23.310 1.00 34.22 C ATOM 1942 CG2 ILE A 128 19.709 7.191 -22.115 1.00 21.43 C ATOM 1943 CD1 ILE A 128 21.930 5.488 -23.401 1.00 73.10 C ATOM 0 H ILE A 128 20.224 3.200 -21.320 1.00 34.33 H new ATOM 0 HA ILE A 128 21.420 5.797 -20.676 1.00 33.43 H new ATOM 0 HB ILE A 128 18.753 5.285 -22.036 1.00 4.42 H new ATOM 0 HG12 ILE A 128 20.372 4.033 -23.317 1.00 34.22 H new ATOM 0 HG13 ILE A 128 19.951 5.489 -24.196 1.00 34.22 H new ATOM 0 HG21 ILE A 128 19.185 7.503 -23.019 1.00 21.43 H new ATOM 0 HG22 ILE A 128 19.176 7.563 -21.240 1.00 21.43 H new ATOM 0 HG23 ILE A 128 20.721 7.597 -22.123 1.00 21.43 H new ATOM 0 HD11 ILE A 128 22.357 5.063 -24.310 1.00 73.10 H new ATOM 0 HD12 ILE A 128 22.031 6.573 -23.426 1.00 73.10 H new ATOM 0 HD13 ILE A 128 22.459 5.094 -22.533 1.00 73.10 H new