USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1128 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 26 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 129 GLN : amide:sc= -0.161 K(o=-0.16,f=-3!) USER MOD Set 2.1: A 37 THR OG1 : rot -80:sc= 1.14 USER MOD Set 2.2: A 38 HIS : no HD1:sc= -0.121 X(o=1,f=1.1) USER MOD Single : A 10 SER OG : rot 2:sc= -0.927 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 41:sc= 0.366 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -61:sc= 1.86 USER MOD Single : A 42 LYS NZ :NH3+ -99:sc= 1.24 (180deg=-0.0807) USER MOD Single : A 45 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.15) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 152:sc= -2.41! (180deg=-4.23!) USER MOD Single : A 50 SER OG : rot 24:sc= 0.19 USER MOD Single : A 55 GLN : amide:sc= -0.27 K(o=-0.27,f=-2.6!) USER MOD Single : A 58 HIS : no HD1:sc= -0.631 X(o=-0.63,f=-1) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 1.3 (180deg=1.05) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.411 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.737 K(o=0.74,f=-2.3!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.77) USER MOD Single : A 117 LYS NZ :NH3+ -117:sc= -0.725! (180deg=-4.31!) USER MOD Single : A 123 MET CE :methyl -160:sc= -0.168 (180deg=-0.795) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl 170:sc= -1.02 (180deg=-1.46) USER MOD Single : A 130 LYS NZ :NH3+ -156:sc= 1.23 (180deg=0.0544) USER MOD Single : A 134 GLN :FLIP amide:sc= -0.0476 F(o=-1.2,f=-0.048) USER MOD Single : A 135 GLN : amide:sc= -0.919 K(o=-0.92,f=-5.4!) USER MOD Single : A 139 GLN : amide:sc= -0.866 K(o=-0.87,f=-3!) USER MOD Single : A 141 SER OG : rot -72:sc= 1.14 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 9 -4.548 17.643 -2.649 1.00 23.31 N ATOM 137 CA VAL A 9 -5.783 16.932 -2.283 1.00 33.35 C ATOM 138 C VAL A 9 -5.721 16.456 -0.821 1.00 22.23 C ATOM 139 O VAL A 9 -6.733 16.397 -0.123 1.00 25.35 O ATOM 140 CB VAL A 9 -6.041 15.716 -3.218 1.00 60.11 C ATOM 141 CG1 VAL A 9 -4.954 14.652 -3.062 1.00 32.13 C ATOM 142 CG2 VAL A 9 -7.429 15.119 -2.973 1.00 14.14 C ATOM 0 HA VAL A 9 -6.608 17.635 -2.399 1.00 33.35 H new ATOM 0 HB VAL A 9 -6.005 16.078 -4.246 1.00 60.11 H new ATOM 0 HG11 VAL A 9 -5.165 13.816 -3.729 1.00 32.13 H new ATOM 0 HG12 VAL A 9 -3.985 15.082 -3.314 1.00 32.13 H new ATOM 0 HG13 VAL A 9 -4.937 14.298 -2.031 1.00 32.13 H new ATOM 0 HG21 VAL A 9 -7.583 14.271 -3.640 1.00 14.14 H new ATOM 0 HG22 VAL A 9 -7.504 14.785 -1.938 1.00 14.14 H new ATOM 0 HG23 VAL A 9 -8.190 15.875 -3.166 1.00 14.14 H new ATOM 152 N SER A 10 -4.511 16.128 -0.369 1.00 73.11 N ATOM 153 CA SER A 10 -4.271 15.686 1.011 1.00 5.31 C ATOM 154 C SER A 10 -3.281 16.625 1.710 1.00 40.12 C ATOM 155 O SER A 10 -2.129 16.743 1.298 1.00 3.54 O ATOM 156 CB SER A 10 -3.725 14.250 1.023 1.00 71.45 C ATOM 157 OG SER A 10 -2.562 14.133 0.214 1.00 2.10 O ATOM 0 H SER A 10 -3.669 16.160 -0.945 1.00 73.11 H new ATOM 0 HA SER A 10 -5.219 15.710 1.549 1.00 5.31 H new ATOM 0 HB2 SER A 10 -3.490 13.957 2.046 1.00 71.45 H new ATOM 0 HB3 SER A 10 -4.492 13.564 0.663 1.00 71.45 H new ATOM 0 HG SER A 10 -2.339 15.008 -0.166 1.00 2.10 H new ATOM 163 N GLU A 11 -3.733 17.297 2.764 1.00 55.32 N ATOM 164 CA GLU A 11 -2.912 18.302 3.450 1.00 50.52 C ATOM 165 C GLU A 11 -2.366 17.797 4.795 1.00 74.20 C ATOM 166 O GLU A 11 -2.940 16.908 5.423 1.00 44.33 O ATOM 167 CB GLU A 11 -3.728 19.579 3.668 1.00 62.33 C ATOM 168 CG GLU A 11 -5.042 19.353 4.406 1.00 4.53 C ATOM 169 CD GLU A 11 -5.796 20.647 4.656 1.00 52.35 C ATOM 170 OE1 GLU A 11 -6.362 21.202 3.692 1.00 61.31 O ATOM 171 OE2 GLU A 11 -5.814 21.116 5.815 1.00 14.10 O ATOM 0 H GLU A 11 -4.662 17.168 3.165 1.00 55.32 H new ATOM 0 HA GLU A 11 -2.055 18.510 2.810 1.00 50.52 H new ATOM 0 HB2 GLU A 11 -3.125 20.292 4.230 1.00 62.33 H new ATOM 0 HB3 GLU A 11 -3.940 20.033 2.700 1.00 62.33 H new ATOM 0 HG2 GLU A 11 -5.670 18.676 3.826 1.00 4.53 H new ATOM 0 HG3 GLU A 11 -4.841 18.863 5.359 1.00 4.53 H new ATOM 178 N LEU A 12 -1.254 18.390 5.228 1.00 43.35 N ATOM 179 CA LEU A 12 -0.599 18.028 6.491 1.00 73.21 C ATOM 180 C LEU A 12 0.197 19.224 7.062 1.00 3.13 C ATOM 181 O LEU A 12 0.771 20.011 6.310 1.00 73.23 O ATOM 182 CB LEU A 12 0.302 16.788 6.290 1.00 61.24 C ATOM 183 CG LEU A 12 0.898 16.594 4.877 1.00 34.54 C ATOM 184 CD1 LEU A 12 1.861 17.722 4.518 1.00 71.54 C ATOM 185 CD2 LEU A 12 1.585 15.233 4.763 1.00 23.41 C ATOM 0 H LEU A 12 -0.780 19.134 4.716 1.00 43.35 H new ATOM 0 HA LEU A 12 -1.366 17.771 7.222 1.00 73.21 H new ATOM 0 HB2 LEU A 12 1.124 16.844 7.003 1.00 61.24 H new ATOM 0 HB3 LEU A 12 -0.278 15.900 6.541 1.00 61.24 H new ATOM 0 HG LEU A 12 0.076 16.624 4.162 1.00 34.54 H new ATOM 0 HD11 LEU A 12 2.262 17.554 3.518 1.00 71.54 H new ATOM 0 HD12 LEU A 12 1.331 18.674 4.541 1.00 71.54 H new ATOM 0 HD13 LEU A 12 2.679 17.745 5.238 1.00 71.54 H new ATOM 0 HD21 LEU A 12 1.998 15.117 3.761 1.00 23.41 H new ATOM 0 HD22 LEU A 12 2.389 15.169 5.496 1.00 23.41 H new ATOM 0 HD23 LEU A 12 0.859 14.442 4.951 1.00 23.41 H new ATOM 197 N PRO A 13 0.230 19.384 8.403 1.00 50.23 N ATOM 198 CA PRO A 13 0.870 20.550 9.057 1.00 32.02 C ATOM 199 C PRO A 13 2.411 20.472 9.125 1.00 71.15 C ATOM 200 O PRO A 13 3.025 20.982 10.065 1.00 42.45 O ATOM 201 CB PRO A 13 0.264 20.509 10.464 1.00 71.42 C ATOM 202 CG PRO A 13 0.028 19.058 10.723 1.00 74.22 C ATOM 203 CD PRO A 13 -0.364 18.458 9.393 1.00 34.53 C ATOM 0 HA PRO A 13 0.688 21.470 8.502 1.00 32.02 H new ATOM 0 HB2 PRO A 13 0.942 20.939 11.201 1.00 71.42 H new ATOM 0 HB3 PRO A 13 -0.664 21.078 10.514 1.00 71.42 H new ATOM 0 HG2 PRO A 13 0.925 18.581 11.117 1.00 74.22 H new ATOM 0 HG3 PRO A 13 -0.760 18.916 11.463 1.00 74.22 H new ATOM 0 HD2 PRO A 13 0.026 17.446 9.279 1.00 34.53 H new ATOM 0 HD3 PRO A 13 -1.447 18.397 9.285 1.00 34.53 H new ATOM 211 N PHE A 14 3.030 19.870 8.113 1.00 24.33 N ATOM 212 CA PHE A 14 4.491 19.723 8.065 1.00 35.34 C ATOM 213 C PHE A 14 4.983 19.505 6.625 1.00 3.10 C ATOM 214 O PHE A 14 4.196 19.187 5.736 1.00 63.12 O ATOM 215 CB PHE A 14 4.942 18.568 8.972 1.00 1.13 C ATOM 216 CG PHE A 14 4.124 17.303 8.836 1.00 71.42 C ATOM 217 CD1 PHE A 14 4.339 16.421 7.787 1.00 45.22 C ATOM 218 CD2 PHE A 14 3.141 16.995 9.768 1.00 61.14 C ATOM 219 CE1 PHE A 14 3.593 15.263 7.673 1.00 14.14 C ATOM 220 CE2 PHE A 14 2.394 15.839 9.655 1.00 41.01 C ATOM 221 CZ PHE A 14 2.621 14.971 8.607 1.00 71.52 C ATOM 0 H PHE A 14 2.544 19.473 7.309 1.00 24.33 H new ATOM 0 HA PHE A 14 4.935 20.649 8.431 1.00 35.34 H new ATOM 0 HB2 PHE A 14 5.984 18.336 8.752 1.00 1.13 H new ATOM 0 HB3 PHE A 14 4.902 18.901 10.009 1.00 1.13 H new ATOM 0 HD1 PHE A 14 5.098 16.642 7.051 1.00 45.22 H new ATOM 0 HD2 PHE A 14 2.958 17.669 10.592 1.00 61.14 H new ATOM 0 HE1 PHE A 14 3.772 14.586 6.851 1.00 14.14 H new ATOM 0 HE2 PHE A 14 1.632 15.614 10.387 1.00 41.01 H new ATOM 0 HZ PHE A 14 2.039 14.065 8.518 1.00 71.52 H new ATOM 231 N GLU A 15 6.288 19.674 6.396 1.00 73.04 N ATOM 232 CA GLU A 15 6.848 19.551 5.039 1.00 12.02 C ATOM 233 C GLU A 15 8.021 18.557 4.963 1.00 42.11 C ATOM 234 O GLU A 15 8.427 18.156 3.868 1.00 51.42 O ATOM 235 CB GLU A 15 7.306 20.920 4.512 1.00 1.15 C ATOM 236 CG GLU A 15 8.374 21.593 5.370 1.00 42.25 C ATOM 237 CD GLU A 15 8.994 22.819 4.707 1.00 14.30 C ATOM 238 OE1 GLU A 15 8.393 23.369 3.755 1.00 54.41 O ATOM 239 OE2 GLU A 15 10.093 23.233 5.132 1.00 52.22 O ATOM 0 H GLU A 15 6.973 19.894 7.120 1.00 73.04 H new ATOM 0 HA GLU A 15 6.044 19.162 4.414 1.00 12.02 H new ATOM 0 HB2 GLU A 15 7.692 20.797 3.500 1.00 1.15 H new ATOM 0 HB3 GLU A 15 6.441 21.579 4.445 1.00 1.15 H new ATOM 0 HG2 GLU A 15 7.933 21.887 6.323 1.00 42.25 H new ATOM 0 HG3 GLU A 15 9.160 20.871 5.592 1.00 42.25 H new ATOM 246 N ARG A 16 8.583 18.166 6.106 1.00 2.20 N ATOM 247 CA ARG A 16 9.714 17.225 6.119 1.00 22.34 C ATOM 248 C ARG A 16 9.356 15.910 6.824 1.00 61.53 C ATOM 249 O ARG A 16 9.089 15.882 8.028 1.00 3.23 O ATOM 250 CB ARG A 16 10.938 17.874 6.780 1.00 42.33 C ATOM 251 CG ARG A 16 11.396 19.150 6.079 1.00 12.12 C ATOM 252 CD ARG A 16 11.728 18.901 4.609 1.00 43.44 C ATOM 253 NE ARG A 16 11.865 20.145 3.852 1.00 51.41 N ATOM 254 CZ ARG A 16 11.112 20.469 2.831 1.00 0.00 C ATOM 255 NH1 ARG A 16 10.137 19.699 2.456 1.00 24.22 N ATOM 256 NH2 ARG A 16 11.321 21.578 2.205 1.00 25.13 N ATOM 0 H ARG A 16 8.281 18.479 7.029 1.00 2.20 H new ATOM 0 HA ARG A 16 9.954 16.984 5.084 1.00 22.34 H new ATOM 0 HB2 ARG A 16 10.702 18.103 7.819 1.00 42.33 H new ATOM 0 HB3 ARG A 16 11.760 17.158 6.790 1.00 42.33 H new ATOM 0 HG2 ARG A 16 10.614 19.906 6.152 1.00 12.12 H new ATOM 0 HG3 ARG A 16 12.274 19.549 6.587 1.00 12.12 H new ATOM 0 HD2 ARG A 16 12.655 18.332 4.540 1.00 43.44 H new ATOM 0 HD3 ARG A 16 10.945 18.290 4.160 1.00 43.44 H new ATOM 0 HE ARG A 16 12.592 20.801 4.137 1.00 51.41 H new ATOM 0 HH11 ARG A 16 9.951 18.831 2.958 1.00 24.22 H new ATOM 0 HH12 ARG A 16 9.557 19.962 1.659 1.00 24.22 H new ATOM 0 HH21 ARG A 16 12.071 22.200 2.506 1.00 25.13 H new ATOM 0 HH22 ARG A 16 10.736 21.833 1.409 1.00 25.13 H new ATOM 270 N VAL A 17 9.350 14.819 6.059 1.00 51.22 N ATOM 271 CA VAL A 17 9.040 13.489 6.596 1.00 13.23 C ATOM 272 C VAL A 17 10.136 12.472 6.244 1.00 54.42 C ATOM 273 O VAL A 17 10.589 12.398 5.103 1.00 31.40 O ATOM 274 CB VAL A 17 7.671 12.969 6.078 1.00 30.42 C ATOM 275 CG1 VAL A 17 6.528 13.825 6.621 1.00 4.01 C ATOM 276 CG2 VAL A 17 7.640 12.932 4.548 1.00 73.32 C ATOM 0 H VAL A 17 9.557 14.828 5.060 1.00 51.22 H new ATOM 0 HA VAL A 17 8.989 13.595 7.680 1.00 13.23 H new ATOM 0 HB VAL A 17 7.539 11.950 6.441 1.00 30.42 H new ATOM 0 HG11 VAL A 17 5.578 13.444 6.246 1.00 4.01 H new ATOM 0 HG12 VAL A 17 6.530 13.786 7.710 1.00 4.01 H new ATOM 0 HG13 VAL A 17 6.659 14.857 6.294 1.00 4.01 H new ATOM 0 HG21 VAL A 17 6.670 12.564 4.213 1.00 73.32 H new ATOM 0 HG22 VAL A 17 7.802 13.936 4.156 1.00 73.32 H new ATOM 0 HG23 VAL A 17 8.425 12.269 4.184 1.00 73.32 H new ATOM 286 N TYR A 18 10.561 11.697 7.235 1.00 41.54 N ATOM 287 CA TYR A 18 11.575 10.656 7.027 1.00 42.22 C ATOM 288 C TYR A 18 10.923 9.269 6.952 1.00 1.25 C ATOM 289 O TYR A 18 10.198 8.870 7.858 1.00 21.11 O ATOM 290 CB TYR A 18 12.608 10.689 8.165 1.00 70.40 C ATOM 291 CG TYR A 18 13.623 9.561 8.100 1.00 4.23 C ATOM 292 CD1 TYR A 18 14.611 9.546 7.126 1.00 31.30 C ATOM 293 CD2 TYR A 18 13.584 8.507 9.008 1.00 62.43 C ATOM 294 CE1 TYR A 18 15.531 8.521 7.060 1.00 32.31 C ATOM 295 CE2 TYR A 18 14.502 7.478 8.946 1.00 5.23 C ATOM 296 CZ TYR A 18 15.472 7.488 7.968 1.00 44.41 C ATOM 297 OH TYR A 18 16.395 6.468 7.905 1.00 31.04 O ATOM 0 H TYR A 18 10.222 11.766 8.194 1.00 41.54 H new ATOM 0 HA TYR A 18 12.079 10.853 6.081 1.00 42.22 H new ATOM 0 HB2 TYR A 18 13.135 11.643 8.138 1.00 70.40 H new ATOM 0 HB3 TYR A 18 12.085 10.641 9.120 1.00 70.40 H new ATOM 0 HD1 TYR A 18 14.660 10.351 6.407 1.00 31.30 H new ATOM 0 HD2 TYR A 18 12.823 8.494 9.774 1.00 62.43 H new ATOM 0 HE1 TYR A 18 16.296 8.529 6.298 1.00 32.31 H new ATOM 0 HE2 TYR A 18 14.460 6.669 9.661 1.00 5.23 H new ATOM 0 HH TYR A 18 16.215 5.819 8.617 1.00 31.04 H new ATOM 307 N ILE A 19 11.177 8.537 5.873 1.00 64.14 N ATOM 308 CA ILE A 19 10.626 7.185 5.723 1.00 21.23 C ATOM 309 C ILE A 19 11.730 6.119 5.818 1.00 52.44 C ATOM 310 O ILE A 19 12.867 6.343 5.395 1.00 63.23 O ATOM 311 CB ILE A 19 9.869 7.020 4.376 1.00 71.10 C ATOM 312 CG1 ILE A 19 9.069 5.705 4.364 1.00 41.15 C ATOM 313 CG2 ILE A 19 10.842 7.063 3.197 1.00 11.03 C ATOM 314 CD1 ILE A 19 8.264 5.486 3.099 1.00 74.25 C ATOM 0 H ILE A 19 11.755 8.849 5.093 1.00 64.14 H new ATOM 0 HA ILE A 19 9.920 7.043 6.541 1.00 21.23 H new ATOM 0 HB ILE A 19 9.172 7.852 4.274 1.00 71.10 H new ATOM 0 HG12 ILE A 19 9.759 4.871 4.493 1.00 41.15 H new ATOM 0 HG13 ILE A 19 8.393 5.695 5.219 1.00 41.15 H new ATOM 0 HG21 ILE A 19 10.289 6.946 2.265 1.00 11.03 H new ATOM 0 HG22 ILE A 19 11.364 8.020 3.191 1.00 11.03 H new ATOM 0 HG23 ILE A 19 11.567 6.255 3.294 1.00 11.03 H new ATOM 0 HD11 ILE A 19 7.729 4.539 3.168 1.00 74.25 H new ATOM 0 HD12 ILE A 19 7.548 6.299 2.978 1.00 74.25 H new ATOM 0 HD13 ILE A 19 8.935 5.462 2.240 1.00 74.25 H new ATOM 326 N THR A 20 11.394 4.966 6.386 1.00 42.30 N ATOM 327 CA THR A 20 12.332 3.840 6.467 1.00 12.42 C ATOM 328 C THR A 20 11.629 2.505 6.186 1.00 53.35 C ATOM 329 O THR A 20 10.447 2.335 6.496 1.00 65.52 O ATOM 330 CB THR A 20 13.039 3.772 7.844 1.00 65.34 C ATOM 331 OG1 THR A 20 13.946 2.660 7.875 1.00 65.21 O ATOM 332 CG2 THR A 20 12.034 3.650 8.985 1.00 13.30 C ATOM 0 H THR A 20 10.480 4.781 6.799 1.00 42.30 H new ATOM 0 HA THR A 20 13.087 4.013 5.700 1.00 12.42 H new ATOM 0 HB THR A 20 13.593 4.701 7.980 1.00 65.34 H new ATOM 0 HG1 THR A 20 14.390 2.625 8.748 1.00 65.21 H new ATOM 0 HG21 THR A 20 12.566 3.605 9.935 1.00 13.30 H new ATOM 0 HG22 THR A 20 11.372 4.516 8.981 1.00 13.30 H new ATOM 0 HG23 THR A 20 11.445 2.742 8.856 1.00 13.30 H new ATOM 340 N ALA A 21 12.362 1.566 5.591 1.00 22.24 N ATOM 341 CA ALA A 21 11.809 0.259 5.219 1.00 10.21 C ATOM 342 C ALA A 21 12.793 -0.878 5.542 1.00 12.00 C ATOM 343 O ALA A 21 13.996 -0.746 5.314 1.00 41.14 O ATOM 344 CB ALA A 21 11.451 0.248 3.736 1.00 0.50 C ATOM 0 H ALA A 21 13.347 1.684 5.354 1.00 22.24 H new ATOM 0 HA ALA A 21 10.906 0.092 5.806 1.00 10.21 H new ATOM 0 HB1 ALA A 21 11.041 -0.726 3.468 1.00 0.50 H new ATOM 0 HB2 ALA A 21 10.710 1.022 3.535 1.00 0.50 H new ATOM 0 HB3 ALA A 21 12.346 0.440 3.144 1.00 0.50 H new ATOM 350 N PRO A 22 12.290 -2.019 6.061 1.00 74.22 N ATOM 351 CA PRO A 22 13.139 -3.161 6.463 1.00 42.42 C ATOM 352 C PRO A 22 14.016 -3.698 5.315 1.00 63.14 C ATOM 353 O PRO A 22 15.239 -3.551 5.338 1.00 0.04 O ATOM 354 CB PRO A 22 12.125 -4.224 6.929 1.00 22.15 C ATOM 355 CG PRO A 22 10.814 -3.791 6.362 1.00 74.42 C ATOM 356 CD PRO A 22 10.865 -2.291 6.309 1.00 12.24 C ATOM 0 HA PRO A 22 13.854 -2.874 7.234 1.00 42.42 H new ATOM 0 HB2 PRO A 22 12.401 -5.215 6.570 1.00 22.15 H new ATOM 0 HB3 PRO A 22 12.084 -4.279 8.017 1.00 22.15 H new ATOM 0 HG2 PRO A 22 10.660 -4.212 5.369 1.00 74.42 H new ATOM 0 HG3 PRO A 22 9.987 -4.132 6.985 1.00 74.42 H new ATOM 0 HD2 PRO A 22 10.234 -1.893 5.515 1.00 12.24 H new ATOM 0 HD3 PRO A 22 10.524 -1.842 7.242 1.00 12.24 H new ATOM 364 N ALA A 23 13.390 -4.313 4.310 1.00 60.04 N ATOM 365 CA ALA A 23 14.119 -4.827 3.141 1.00 1.03 C ATOM 366 C ALA A 23 14.077 -3.839 1.966 1.00 42.42 C ATOM 367 O ALA A 23 14.442 -4.180 0.840 1.00 23.02 O ATOM 368 CB ALA A 23 13.536 -6.169 2.718 1.00 20.23 C ATOM 0 H ALA A 23 12.382 -4.469 4.279 1.00 60.04 H new ATOM 0 HA ALA A 23 15.163 -4.956 3.427 1.00 1.03 H new ATOM 0 HB1 ALA A 23 14.080 -6.545 1.852 1.00 20.23 H new ATOM 0 HB2 ALA A 23 13.626 -6.880 3.539 1.00 20.23 H new ATOM 0 HB3 ALA A 23 12.484 -6.044 2.460 1.00 20.23 H new ATOM 374 N GLY A 24 13.640 -2.610 2.238 1.00 41.22 N ATOM 375 CA GLY A 24 13.515 -1.603 1.187 1.00 24.50 C ATOM 376 C GLY A 24 12.466 -1.956 0.133 1.00 12.35 C ATOM 377 O GLY A 24 12.744 -1.921 -1.066 1.00 74.44 O ATOM 0 H GLY A 24 13.369 -2.290 3.168 1.00 41.22 H new ATOM 0 HA2 GLY A 24 13.257 -0.646 1.640 1.00 24.50 H new ATOM 0 HA3 GLY A 24 14.481 -1.475 0.699 1.00 24.50 H new ATOM 381 N LEU A 25 11.255 -2.283 0.585 1.00 41.32 N ATOM 382 CA LEU A 25 10.169 -2.688 -0.320 1.00 62.14 C ATOM 383 C LEU A 25 9.669 -1.500 -1.155 1.00 22.11 C ATOM 384 O LEU A 25 9.731 -0.349 -0.711 1.00 4.30 O ATOM 385 CB LEU A 25 8.988 -3.289 0.465 1.00 62.24 C ATOM 386 CG LEU A 25 9.279 -4.569 1.278 1.00 3.24 C ATOM 387 CD1 LEU A 25 10.092 -4.262 2.534 1.00 3.20 C ATOM 388 CD2 LEU A 25 7.979 -5.285 1.640 1.00 63.13 C ATOM 0 H LEU A 25 10.997 -2.277 1.572 1.00 41.32 H new ATOM 0 HA LEU A 25 10.576 -3.446 -0.989 1.00 62.14 H new ATOM 0 HB2 LEU A 25 8.612 -2.529 1.149 1.00 62.24 H new ATOM 0 HB3 LEU A 25 8.186 -3.508 -0.240 1.00 62.24 H new ATOM 0 HG LEU A 25 9.876 -5.230 0.650 1.00 3.24 H new ATOM 0 HD11 LEU A 25 10.278 -5.186 3.082 1.00 3.20 H new ATOM 0 HD12 LEU A 25 11.043 -3.810 2.251 1.00 3.20 H new ATOM 0 HD13 LEU A 25 9.536 -3.571 3.167 1.00 3.20 H new ATOM 0 HD21 LEU A 25 8.206 -6.184 2.213 1.00 63.13 H new ATOM 0 HD22 LEU A 25 7.353 -4.623 2.238 1.00 63.13 H new ATOM 0 HD23 LEU A 25 7.449 -5.560 0.728 1.00 63.13 H new ATOM 400 N THR A 26 9.147 -1.786 -2.349 1.00 54.41 N ATOM 401 CA THR A 26 8.649 -0.737 -3.255 1.00 62.50 C ATOM 402 C THR A 26 7.601 0.147 -2.569 1.00 73.42 C ATOM 403 O THR A 26 7.537 1.349 -2.814 1.00 53.35 O ATOM 404 CB THR A 26 8.013 -1.329 -4.537 1.00 41.23 C ATOM 405 OG1 THR A 26 6.781 -1.997 -4.217 1.00 14.10 O ATOM 406 CG2 THR A 26 8.960 -2.312 -5.222 1.00 63.32 C ATOM 0 H THR A 26 9.056 -2.734 -2.716 1.00 54.41 H new ATOM 0 HA THR A 26 9.520 -0.140 -3.526 1.00 62.50 H new ATOM 0 HB THR A 26 7.816 -0.504 -5.221 1.00 41.23 H new ATOM 0 HG1 THR A 26 6.387 -2.366 -5.035 1.00 14.10 H new ATOM 0 HG21 THR A 26 8.485 -2.710 -6.119 1.00 63.32 H new ATOM 0 HG22 THR A 26 9.881 -1.798 -5.497 1.00 63.32 H new ATOM 0 HG23 THR A 26 9.191 -3.130 -4.540 1.00 63.32 H new ATOM 414 N ILE A 27 6.803 -0.468 -1.688 1.00 13.02 N ATOM 415 CA ILE A 27 5.751 0.233 -0.933 1.00 74.02 C ATOM 416 C ILE A 27 6.259 1.561 -0.332 1.00 32.24 C ATOM 417 O ILE A 27 5.524 2.550 -0.274 1.00 63.33 O ATOM 418 CB ILE A 27 5.194 -0.675 0.204 1.00 24.21 C ATOM 419 CG1 ILE A 27 3.978 -0.025 0.891 1.00 1.33 C ATOM 420 CG2 ILE A 27 6.284 -0.994 1.227 1.00 52.01 C ATOM 421 CD1 ILE A 27 2.768 0.110 -0.009 1.00 60.22 C ATOM 0 H ILE A 27 6.866 -1.464 -1.477 1.00 13.02 H new ATOM 0 HA ILE A 27 4.953 0.464 -1.638 1.00 74.02 H new ATOM 0 HB ILE A 27 4.864 -1.610 -0.249 1.00 24.21 H new ATOM 0 HG12 ILE A 27 3.706 -0.618 1.764 1.00 1.33 H new ATOM 0 HG13 ILE A 27 4.262 0.963 1.253 1.00 1.33 H new ATOM 0 HG21 ILE A 27 5.872 -1.629 2.011 1.00 52.01 H new ATOM 0 HG22 ILE A 27 7.105 -1.513 0.733 1.00 52.01 H new ATOM 0 HG23 ILE A 27 6.653 -0.067 1.667 1.00 52.01 H new ATOM 0 HD11 ILE A 27 1.953 0.576 0.545 1.00 60.22 H new ATOM 0 HD12 ILE A 27 3.022 0.729 -0.870 1.00 60.22 H new ATOM 0 HD13 ILE A 27 2.457 -0.877 -0.351 1.00 60.22 H new ATOM 433 N GLY A 28 7.525 1.582 0.089 1.00 35.04 N ATOM 434 CA GLY A 28 8.110 2.793 0.650 1.00 70.01 C ATOM 435 C GLY A 28 8.381 3.863 -0.403 1.00 1.33 C ATOM 436 O GLY A 28 8.110 5.045 -0.188 1.00 42.51 O ATOM 0 H GLY A 28 8.156 0.782 0.051 1.00 35.04 H new ATOM 0 HA2 GLY A 28 7.439 3.198 1.408 1.00 70.01 H new ATOM 0 HA3 GLY A 28 9.043 2.540 1.153 1.00 70.01 H new ATOM 440 N SER A 29 8.900 3.447 -1.557 1.00 22.42 N ATOM 441 CA SER A 29 9.241 4.392 -2.628 1.00 3.01 C ATOM 442 C SER A 29 7.976 4.922 -3.320 1.00 3.52 C ATOM 443 O SER A 29 7.917 6.084 -3.733 1.00 31.13 O ATOM 444 CB SER A 29 10.176 3.742 -3.656 1.00 2.21 C ATOM 445 OG SER A 29 10.803 4.726 -4.464 1.00 2.01 O ATOM 0 H SER A 29 9.094 2.470 -1.777 1.00 22.42 H new ATOM 0 HA SER A 29 9.761 5.234 -2.172 1.00 3.01 H new ATOM 0 HB2 SER A 29 10.934 3.151 -3.142 1.00 2.21 H new ATOM 0 HB3 SER A 29 9.610 3.056 -4.286 1.00 2.21 H new ATOM 0 HG SER A 29 11.066 5.488 -3.907 1.00 2.01 H new ATOM 451 N ASP A 30 6.959 4.065 -3.443 1.00 50.12 N ATOM 452 CA ASP A 30 5.639 4.498 -3.910 1.00 20.51 C ATOM 453 C ASP A 30 5.083 5.605 -3.006 1.00 22.11 C ATOM 454 O ASP A 30 4.495 6.579 -3.483 1.00 53.40 O ATOM 455 CB ASP A 30 4.660 3.317 -3.951 1.00 21.34 C ATOM 456 CG ASP A 30 4.912 2.388 -5.123 1.00 35.55 C ATOM 457 OD1 ASP A 30 4.478 2.719 -6.247 1.00 24.40 O ATOM 458 OD2 ASP A 30 5.536 1.325 -4.928 1.00 62.11 O ATOM 0 H ASP A 30 7.024 3.070 -3.227 1.00 50.12 H new ATOM 0 HA ASP A 30 5.753 4.891 -4.920 1.00 20.51 H new ATOM 0 HB2 ASP A 30 4.739 2.753 -3.022 1.00 21.34 H new ATOM 0 HB3 ASP A 30 3.640 3.698 -4.007 1.00 21.34 H new ATOM 463 N LEU A 31 5.286 5.452 -1.697 1.00 74.04 N ATOM 464 CA LEU A 31 4.833 6.446 -0.724 1.00 41.14 C ATOM 465 C LEU A 31 5.545 7.795 -0.930 1.00 20.11 C ATOM 466 O LEU A 31 4.919 8.850 -0.823 1.00 2.41 O ATOM 467 CB LEU A 31 5.050 5.931 0.707 1.00 61.52 C ATOM 468 CG LEU A 31 4.466 6.818 1.822 1.00 71.30 C ATOM 469 CD1 LEU A 31 2.976 7.070 1.590 1.00 75.52 C ATOM 470 CD2 LEU A 31 4.696 6.181 3.192 1.00 72.12 C ATOM 0 H LEU A 31 5.762 4.649 -1.286 1.00 74.04 H new ATOM 0 HA LEU A 31 3.766 6.608 -0.879 1.00 41.14 H new ATOM 0 HB2 LEU A 31 4.610 4.937 0.788 1.00 61.52 H new ATOM 0 HB3 LEU A 31 6.121 5.820 0.877 1.00 61.52 H new ATOM 0 HG LEU A 31 4.982 7.778 1.798 1.00 71.30 H new ATOM 0 HD11 LEU A 31 2.584 7.699 2.390 1.00 75.52 H new ATOM 0 HD12 LEU A 31 2.837 7.572 0.633 1.00 75.52 H new ATOM 0 HD13 LEU A 31 2.443 6.119 1.582 1.00 75.52 H new ATOM 0 HD21 LEU A 31 4.276 6.823 3.967 1.00 72.12 H new ATOM 0 HD22 LEU A 31 4.210 5.206 3.226 1.00 72.12 H new ATOM 0 HD23 LEU A 31 5.766 6.059 3.362 1.00 72.12 H new ATOM 482 N GLU A 32 6.847 7.757 -1.235 1.00 72.43 N ATOM 483 CA GLU A 32 7.600 8.980 -1.559 1.00 22.20 C ATOM 484 C GLU A 32 6.888 9.785 -2.658 1.00 70.42 C ATOM 485 O GLU A 32 6.682 10.999 -2.536 1.00 42.41 O ATOM 486 CB GLU A 32 9.027 8.646 -2.033 1.00 3.14 C ATOM 487 CG GLU A 32 9.883 7.888 -1.023 1.00 64.14 C ATOM 488 CD GLU A 32 11.311 7.689 -1.516 1.00 42.53 C ATOM 489 OE1 GLU A 32 11.521 6.868 -2.437 1.00 52.51 O ATOM 490 OE2 GLU A 32 12.228 8.368 -0.998 1.00 21.33 O ATOM 0 H GLU A 32 7.400 6.901 -1.265 1.00 72.43 H new ATOM 0 HA GLU A 32 7.655 9.575 -0.647 1.00 22.20 H new ATOM 0 HB2 GLU A 32 8.961 8.055 -2.946 1.00 3.14 H new ATOM 0 HB3 GLU A 32 9.534 9.576 -2.291 1.00 3.14 H new ATOM 0 HG2 GLU A 32 9.899 8.434 -0.080 1.00 64.14 H new ATOM 0 HG3 GLU A 32 9.431 6.917 -0.822 1.00 64.14 H new ATOM 497 N ARG A 33 6.512 9.086 -3.729 1.00 74.15 N ATOM 498 CA ARG A 33 5.814 9.699 -4.862 1.00 44.34 C ATOM 499 C ARG A 33 4.460 10.283 -4.427 1.00 25.42 C ATOM 500 O ARG A 33 4.181 11.464 -4.635 1.00 42.31 O ATOM 501 CB ARG A 33 5.586 8.659 -5.969 1.00 14.42 C ATOM 502 CG ARG A 33 6.831 7.861 -6.354 1.00 32.12 C ATOM 503 CD ARG A 33 6.525 6.852 -7.455 1.00 60.04 C ATOM 504 NE ARG A 33 7.647 5.954 -7.729 1.00 3.34 N ATOM 505 CZ ARG A 33 8.028 5.607 -8.932 1.00 45.33 C ATOM 506 NH1 ARG A 33 7.527 6.191 -9.975 1.00 62.24 N ATOM 507 NH2 ARG A 33 8.939 4.702 -9.088 1.00 21.53 N ATOM 0 H ARG A 33 6.681 8.086 -3.837 1.00 74.15 H new ATOM 0 HA ARG A 33 6.439 10.508 -5.241 1.00 44.34 H new ATOM 0 HB2 ARG A 33 4.811 7.965 -5.644 1.00 14.42 H new ATOM 0 HB3 ARG A 33 5.207 9.168 -6.856 1.00 14.42 H new ATOM 0 HG2 ARG A 33 7.613 8.542 -6.690 1.00 32.12 H new ATOM 0 HG3 ARG A 33 7.217 7.340 -5.478 1.00 32.12 H new ATOM 0 HD2 ARG A 33 5.655 6.262 -7.169 1.00 60.04 H new ATOM 0 HD3 ARG A 33 6.262 7.386 -8.368 1.00 60.04 H new ATOM 0 HE ARG A 33 8.163 5.576 -6.935 1.00 3.34 H new ATOM 0 HH11 ARG A 33 6.830 6.927 -9.862 1.00 62.24 H new ATOM 0 HH12 ARG A 33 7.830 5.914 -10.909 1.00 62.24 H new ATOM 0 HH21 ARG A 33 9.361 4.258 -8.273 1.00 21.53 H new ATOM 0 HH22 ARG A 33 9.235 4.433 -10.026 1.00 21.53 H new ATOM 521 N VAL A 34 3.633 9.440 -3.811 1.00 30.35 N ATOM 522 CA VAL A 34 2.279 9.829 -3.393 1.00 2.14 C ATOM 523 C VAL A 34 2.280 11.067 -2.477 1.00 63.14 C ATOM 524 O VAL A 34 1.499 12.000 -2.679 1.00 74.34 O ATOM 525 CB VAL A 34 1.564 8.654 -2.679 1.00 72.34 C ATOM 526 CG1 VAL A 34 0.185 9.071 -2.168 1.00 61.21 C ATOM 527 CG2 VAL A 34 1.447 7.454 -3.619 1.00 61.11 C ATOM 0 H VAL A 34 3.876 8.475 -3.587 1.00 30.35 H new ATOM 0 HA VAL A 34 1.736 10.087 -4.302 1.00 2.14 H new ATOM 0 HB VAL A 34 2.166 8.368 -1.817 1.00 72.34 H new ATOM 0 HG11 VAL A 34 -0.291 8.225 -1.672 1.00 61.21 H new ATOM 0 HG12 VAL A 34 0.293 9.893 -1.460 1.00 61.21 H new ATOM 0 HG13 VAL A 34 -0.432 9.393 -3.007 1.00 61.21 H new ATOM 0 HG21 VAL A 34 0.943 6.636 -3.104 1.00 61.11 H new ATOM 0 HG22 VAL A 34 0.872 7.737 -4.501 1.00 61.11 H new ATOM 0 HG23 VAL A 34 2.443 7.132 -3.923 1.00 61.11 H new ATOM 537 N ILE A 35 3.166 11.080 -1.483 1.00 62.42 N ATOM 538 CA ILE A 35 3.276 12.219 -0.562 1.00 74.44 C ATOM 539 C ILE A 35 3.679 13.509 -1.301 1.00 20.35 C ATOM 540 O ILE A 35 2.960 14.505 -1.262 1.00 14.21 O ATOM 541 CB ILE A 35 4.299 11.939 0.572 1.00 11.24 C ATOM 542 CG1 ILE A 35 3.834 10.756 1.437 1.00 0.31 C ATOM 543 CG2 ILE A 35 4.510 13.185 1.435 1.00 3.40 C ATOM 544 CD1 ILE A 35 4.787 10.413 2.567 1.00 22.21 C ATOM 0 H ILE A 35 3.818 10.319 -1.292 1.00 62.42 H new ATOM 0 HA ILE A 35 2.288 12.357 -0.122 1.00 74.44 H new ATOM 0 HB ILE A 35 5.253 11.678 0.113 1.00 11.24 H new ATOM 0 HG12 ILE A 35 2.855 10.988 1.857 1.00 0.31 H new ATOM 0 HG13 ILE A 35 3.709 9.880 0.801 1.00 0.31 H new ATOM 0 HG21 ILE A 35 5.231 12.964 2.223 1.00 3.40 H new ATOM 0 HG22 ILE A 35 4.888 13.998 0.815 1.00 3.40 H new ATOM 0 HG23 ILE A 35 3.562 13.482 1.883 1.00 3.40 H new ATOM 0 HD11 ILE A 35 4.392 9.569 3.133 1.00 22.21 H new ATOM 0 HD12 ILE A 35 5.761 10.149 2.154 1.00 22.21 H new ATOM 0 HD13 ILE A 35 4.894 11.274 3.227 1.00 22.21 H new ATOM 556 N SER A 36 4.821 13.478 -1.987 1.00 60.53 N ATOM 557 CA SER A 36 5.359 14.677 -2.661 1.00 41.24 C ATOM 558 C SER A 36 4.394 15.245 -3.714 1.00 54.22 C ATOM 559 O SER A 36 4.379 16.451 -3.964 1.00 55.34 O ATOM 560 CB SER A 36 6.706 14.358 -3.326 1.00 23.41 C ATOM 561 OG SER A 36 7.232 15.486 -4.017 1.00 63.20 O ATOM 0 H SER A 36 5.396 12.642 -2.095 1.00 60.53 H new ATOM 0 HA SER A 36 5.493 15.435 -1.889 1.00 41.24 H new ATOM 0 HB2 SER A 36 7.418 14.031 -2.568 1.00 23.41 H new ATOM 0 HB3 SER A 36 6.580 13.530 -4.024 1.00 23.41 H new ATOM 0 HG SER A 36 8.090 15.248 -4.427 1.00 63.20 H new ATOM 567 N THR A 37 3.593 14.377 -4.328 1.00 61.24 N ATOM 568 CA THR A 37 2.678 14.791 -5.405 1.00 62.11 C ATOM 569 C THR A 37 1.301 15.234 -4.883 1.00 52.14 C ATOM 570 O THR A 37 0.665 16.115 -5.465 1.00 64.44 O ATOM 571 CB THR A 37 2.459 13.649 -6.423 1.00 63.23 C ATOM 572 OG1 THR A 37 1.885 12.511 -5.762 1.00 12.03 O ATOM 573 CG2 THR A 37 3.770 13.249 -7.098 1.00 15.32 C ATOM 0 H THR A 37 3.554 13.383 -4.103 1.00 61.24 H new ATOM 0 HA THR A 37 3.162 15.642 -5.884 1.00 62.11 H new ATOM 0 HB THR A 37 1.777 14.008 -7.193 1.00 63.23 H new ATOM 0 HG1 THR A 37 2.590 12.012 -5.298 1.00 12.03 H new ATOM 0 HG21 THR A 37 3.583 12.444 -7.808 1.00 15.32 H new ATOM 0 HG22 THR A 37 4.185 14.108 -7.625 1.00 15.32 H new ATOM 0 HG23 THR A 37 4.479 12.909 -6.343 1.00 15.32 H new ATOM 581 N HIS A 38 0.828 14.613 -3.804 1.00 2.24 N ATOM 582 CA HIS A 38 -0.518 14.902 -3.282 1.00 22.34 C ATOM 583 C HIS A 38 -0.500 15.785 -2.025 1.00 32.44 C ATOM 584 O HIS A 38 -1.561 16.164 -1.522 1.00 54.05 O ATOM 585 CB HIS A 38 -1.263 13.595 -2.990 1.00 0.13 C ATOM 586 CG HIS A 38 -1.527 12.772 -4.213 1.00 74.12 C ATOM 587 ND1 HIS A 38 -2.479 13.108 -5.153 1.00 63.30 N ATOM 588 CD2 HIS A 38 -0.962 11.622 -4.652 1.00 21.42 C ATOM 589 CE1 HIS A 38 -2.490 12.204 -6.109 1.00 44.14 C ATOM 590 NE2 HIS A 38 -1.581 11.293 -5.831 1.00 21.01 N ATOM 0 H HIS A 38 1.346 13.912 -3.274 1.00 2.24 H new ATOM 0 HA HIS A 38 -1.039 15.464 -4.057 1.00 22.34 H new ATOM 0 HB2 HIS A 38 -0.681 13.004 -2.283 1.00 0.13 H new ATOM 0 HB3 HIS A 38 -2.212 13.827 -2.506 1.00 0.13 H new ATOM 0 HD2 HIS A 38 -0.173 11.068 -4.165 1.00 21.42 H new ATOM 0 HE1 HIS A 38 -3.135 12.209 -6.975 1.00 44.14 H new ATOM 0 HE2 HIS A 38 -1.371 10.474 -6.401 1.00 21.01 H new ATOM 599 N THR A 39 0.689 16.101 -1.511 1.00 31.33 N ATOM 600 CA THR A 39 0.818 16.996 -0.348 1.00 31.11 C ATOM 601 C THR A 39 1.890 18.064 -0.597 1.00 65.10 C ATOM 602 O THR A 39 2.463 18.145 -1.683 1.00 40.05 O ATOM 603 CB THR A 39 1.193 16.237 0.956 1.00 64.01 C ATOM 604 OG1 THR A 39 2.611 16.020 1.016 1.00 63.31 O ATOM 605 CG2 THR A 39 0.475 14.894 1.052 1.00 12.32 C ATOM 0 H THR A 39 1.576 15.755 -1.876 1.00 31.33 H new ATOM 0 HA THR A 39 -0.162 17.455 -0.218 1.00 31.11 H new ATOM 0 HB THR A 39 0.878 16.858 1.795 1.00 64.01 H new ATOM 0 HG1 THR A 39 2.892 15.479 0.249 1.00 63.31 H new ATOM 0 HG21 THR A 39 0.762 14.393 1.976 1.00 12.32 H new ATOM 0 HG22 THR A 39 -0.603 15.056 1.047 1.00 12.32 H new ATOM 0 HG23 THR A 39 0.752 14.272 0.201 1.00 12.32 H new ATOM 613 N ARG A 40 2.161 18.884 0.418 1.00 2.33 N ATOM 614 CA ARG A 40 3.223 19.894 0.337 1.00 1.14 C ATOM 615 C ARG A 40 4.527 19.378 0.981 1.00 52.33 C ATOM 616 O ARG A 40 5.551 20.063 0.986 1.00 41.43 O ATOM 617 CB ARG A 40 2.755 21.197 1.016 1.00 73.44 C ATOM 618 CG ARG A 40 3.732 22.364 0.874 1.00 55.51 C ATOM 619 CD ARG A 40 4.041 22.675 -0.588 1.00 61.21 C ATOM 620 NE ARG A 40 5.020 23.749 -0.733 1.00 21.01 N ATOM 621 CZ ARG A 40 5.603 24.056 -1.862 1.00 22.41 C ATOM 622 NH1 ARG A 40 5.410 23.334 -2.921 1.00 30.23 N ATOM 623 NH2 ARG A 40 6.417 25.057 -1.924 1.00 71.03 N ATOM 0 H ARG A 40 1.661 18.871 1.307 1.00 2.33 H new ATOM 0 HA ARG A 40 3.432 20.098 -0.713 1.00 1.14 H new ATOM 0 HB2 ARG A 40 1.794 21.489 0.593 1.00 73.44 H new ATOM 0 HB3 ARG A 40 2.591 21.002 2.076 1.00 73.44 H new ATOM 0 HG2 ARG A 40 3.312 23.249 1.352 1.00 55.51 H new ATOM 0 HG3 ARG A 40 4.658 22.128 1.398 1.00 55.51 H new ATOM 0 HD2 ARG A 40 4.417 21.776 -1.076 1.00 61.21 H new ATOM 0 HD3 ARG A 40 3.120 22.955 -1.100 1.00 61.21 H new ATOM 0 HE ARG A 40 5.263 24.292 0.096 1.00 21.01 H new ATOM 0 HH11 ARG A 40 4.799 22.518 -2.878 1.00 30.23 H new ATOM 0 HH12 ARG A 40 5.869 23.581 -3.798 1.00 30.23 H new ATOM 0 HH21 ARG A 40 6.607 25.612 -1.090 1.00 71.03 H new ATOM 0 HH22 ARG A 40 6.869 25.292 -2.807 1.00 71.03 H new ATOM 637 N ALA A 41 4.485 18.155 1.501 1.00 41.31 N ATOM 638 CA ALA A 41 5.641 17.557 2.174 1.00 31.42 C ATOM 639 C ALA A 41 6.629 16.922 1.181 1.00 1.41 C ATOM 640 O ALA A 41 6.326 16.739 0.000 1.00 24.00 O ATOM 641 CB ALA A 41 5.171 16.519 3.188 1.00 14.54 C ATOM 0 H ALA A 41 3.661 17.554 1.471 1.00 41.31 H new ATOM 0 HA ALA A 41 6.172 18.358 2.688 1.00 31.42 H new ATOM 0 HB1 ALA A 41 6.035 16.078 3.685 1.00 14.54 H new ATOM 0 HB2 ALA A 41 4.532 16.998 3.929 1.00 14.54 H new ATOM 0 HB3 ALA A 41 4.610 15.738 2.675 1.00 14.54 H new ATOM 647 N LYS A 42 7.820 16.598 1.677 1.00 24.34 N ATOM 648 CA LYS A 42 8.853 15.934 0.878 1.00 65.40 C ATOM 649 C LYS A 42 9.632 14.945 1.764 1.00 51.23 C ATOM 650 O LYS A 42 9.999 15.268 2.896 1.00 24.23 O ATOM 651 CB LYS A 42 9.800 16.988 0.261 1.00 44.43 C ATOM 652 CG LYS A 42 10.624 16.502 -0.942 1.00 41.44 C ATOM 653 CD LYS A 42 11.725 15.517 -0.548 1.00 64.51 C ATOM 654 CE LYS A 42 12.499 14.994 -1.754 1.00 45.31 C ATOM 655 NZ LYS A 42 13.496 13.955 -1.368 1.00 44.24 N ATOM 0 H LYS A 42 8.098 16.786 2.640 1.00 24.34 H new ATOM 0 HA LYS A 42 8.387 15.378 0.064 1.00 65.40 H new ATOM 0 HB2 LYS A 42 9.207 17.849 -0.049 1.00 44.43 H new ATOM 0 HB3 LYS A 42 10.485 17.335 1.034 1.00 44.43 H new ATOM 0 HG2 LYS A 42 9.959 16.027 -1.664 1.00 41.44 H new ATOM 0 HG3 LYS A 42 11.073 17.361 -1.440 1.00 41.44 H new ATOM 0 HD2 LYS A 42 12.416 16.005 0.139 1.00 64.51 H new ATOM 0 HD3 LYS A 42 11.282 14.677 -0.012 1.00 64.51 H new ATOM 0 HE2 LYS A 42 11.801 14.576 -2.479 1.00 45.31 H new ATOM 0 HE3 LYS A 42 13.010 15.823 -2.244 1.00 45.31 H new ATOM 0 HZ1 LYS A 42 14.439 14.388 -1.295 1.00 44.24 H new ATOM 0 HZ2 LYS A 42 13.232 13.544 -0.450 1.00 44.24 H new ATOM 0 HZ3 LYS A 42 13.514 13.206 -2.090 1.00 44.24 H new ATOM 669 N VAL A 43 9.867 13.743 1.245 1.00 52.02 N ATOM 670 CA VAL A 43 10.587 12.700 1.984 1.00 64.51 C ATOM 671 C VAL A 43 12.101 12.980 2.055 1.00 23.24 C ATOM 672 O VAL A 43 12.756 13.175 1.032 1.00 44.42 O ATOM 673 CB VAL A 43 10.353 11.312 1.340 1.00 72.00 C ATOM 674 CG1 VAL A 43 11.162 10.238 2.062 1.00 24.20 C ATOM 675 CG2 VAL A 43 8.863 10.967 1.338 1.00 75.01 C ATOM 0 H VAL A 43 9.569 13.462 0.311 1.00 52.02 H new ATOM 0 HA VAL A 43 10.191 12.705 3.000 1.00 64.51 H new ATOM 0 HB VAL A 43 10.694 11.350 0.306 1.00 72.00 H new ATOM 0 HG11 VAL A 43 10.983 9.271 1.593 1.00 24.20 H new ATOM 0 HG12 VAL A 43 12.223 10.479 2.001 1.00 24.20 H new ATOM 0 HG13 VAL A 43 10.859 10.196 3.108 1.00 24.20 H new ATOM 0 HG21 VAL A 43 8.717 9.988 0.882 1.00 75.01 H new ATOM 0 HG22 VAL A 43 8.492 10.949 2.363 1.00 75.01 H new ATOM 0 HG23 VAL A 43 8.316 11.718 0.768 1.00 75.01 H new ATOM 685 N VAL A 44 12.649 12.996 3.269 1.00 75.43 N ATOM 686 CA VAL A 44 14.082 13.234 3.477 1.00 72.14 C ATOM 687 C VAL A 44 14.815 11.945 3.890 1.00 64.43 C ATOM 688 O VAL A 44 14.213 11.021 4.434 1.00 41.23 O ATOM 689 CB VAL A 44 14.323 14.333 4.544 1.00 42.33 C ATOM 690 CG1 VAL A 44 13.771 15.677 4.069 1.00 22.03 C ATOM 691 CG2 VAL A 44 13.707 13.935 5.886 1.00 54.41 C ATOM 0 H VAL A 44 12.122 12.846 4.129 1.00 75.43 H new ATOM 0 HA VAL A 44 14.486 13.574 2.523 1.00 72.14 H new ATOM 0 HB VAL A 44 15.399 14.438 4.686 1.00 42.33 H new ATOM 0 HG11 VAL A 44 13.950 16.434 4.832 1.00 22.03 H new ATOM 0 HG12 VAL A 44 14.269 15.969 3.144 1.00 22.03 H new ATOM 0 HG13 VAL A 44 12.699 15.588 3.891 1.00 22.03 H new ATOM 0 HG21 VAL A 44 13.889 14.722 6.618 1.00 54.41 H new ATOM 0 HG22 VAL A 44 12.633 13.793 5.766 1.00 54.41 H new ATOM 0 HG23 VAL A 44 14.159 13.006 6.232 1.00 54.41 H new ATOM 701 N ASN A 45 16.121 11.898 3.624 1.00 2.34 N ATOM 702 CA ASN A 45 16.944 10.719 3.930 1.00 13.40 C ATOM 703 C ASN A 45 17.530 10.782 5.357 1.00 12.31 C ATOM 704 O ASN A 45 18.131 9.818 5.834 1.00 52.51 O ATOM 705 CB ASN A 45 18.069 10.598 2.887 1.00 14.01 C ATOM 706 CG ASN A 45 18.909 9.342 3.055 1.00 0.35 C ATOM 707 OD1 ASN A 45 18.576 8.284 2.537 1.00 23.33 O ATOM 708 ND2 ASN A 45 20.008 9.451 3.769 1.00 15.50 N ATOM 0 H ASN A 45 16.637 12.666 3.195 1.00 2.34 H new ATOM 0 HA ASN A 45 16.307 9.835 3.886 1.00 13.40 H new ATOM 0 HB2 ASN A 45 17.632 10.604 1.888 1.00 14.01 H new ATOM 0 HB3 ASN A 45 18.716 11.472 2.957 1.00 14.01 H new ATOM 0 HD21 ASN A 45 20.611 8.639 3.904 1.00 15.50 H new ATOM 0 HD22 ASN A 45 20.257 10.347 4.188 1.00 15.50 H new ATOM 715 N LYS A 46 17.331 11.906 6.044 1.00 53.34 N ATOM 716 CA LYS A 46 17.876 12.096 7.398 1.00 53.54 C ATOM 717 C LYS A 46 16.789 12.558 8.384 1.00 40.12 C ATOM 718 O LYS A 46 15.944 13.389 8.048 1.00 12.41 O ATOM 719 CB LYS A 46 19.040 13.105 7.389 1.00 45.43 C ATOM 720 CG LYS A 46 18.676 14.507 6.891 1.00 73.15 C ATOM 721 CD LYS A 46 18.611 14.591 5.367 1.00 25.31 C ATOM 722 CE LYS A 46 18.339 16.015 4.890 1.00 61.11 C ATOM 723 NZ LYS A 46 18.450 16.134 3.411 1.00 43.03 N ATOM 0 H LYS A 46 16.798 12.701 5.691 1.00 53.34 H new ATOM 0 HA LYS A 46 18.252 11.129 7.732 1.00 53.54 H new ATOM 0 HB2 LYS A 46 19.438 13.187 8.400 1.00 45.43 H new ATOM 0 HB3 LYS A 46 19.840 12.709 6.763 1.00 45.43 H new ATOM 0 HG2 LYS A 46 17.712 14.798 7.309 1.00 73.15 H new ATOM 0 HG3 LYS A 46 19.412 15.222 7.259 1.00 73.15 H new ATOM 0 HD2 LYS A 46 19.551 14.239 4.943 1.00 25.31 H new ATOM 0 HD3 LYS A 46 17.828 13.928 4.999 1.00 25.31 H new ATOM 0 HE2 LYS A 46 17.341 16.319 5.205 1.00 61.11 H new ATOM 0 HE3 LYS A 46 19.045 16.698 5.363 1.00 61.11 H new ATOM 0 HZ1 LYS A 46 18.258 17.116 3.126 1.00 43.03 H new ATOM 0 HZ2 LYS A 46 19.410 15.868 3.112 1.00 43.03 H new ATOM 0 HZ3 LYS A 46 17.759 15.501 2.959 1.00 43.03 H new ATOM 737 N ALA A 47 16.828 12.025 9.606 1.00 2.23 N ATOM 738 CA ALA A 47 15.833 12.351 10.638 1.00 41.44 C ATOM 739 C ALA A 47 16.219 13.600 11.455 1.00 23.31 C ATOM 740 O ALA A 47 15.443 14.065 12.292 1.00 30.15 O ATOM 741 CB ALA A 47 15.634 11.155 11.567 1.00 53.22 C ATOM 0 H ALA A 47 17.541 11.362 9.910 1.00 2.23 H new ATOM 0 HA ALA A 47 14.898 12.579 10.126 1.00 41.44 H new ATOM 0 HB1 ALA A 47 14.895 11.405 12.329 1.00 53.22 H new ATOM 0 HB2 ALA A 47 15.284 10.300 10.989 1.00 53.22 H new ATOM 0 HB3 ALA A 47 16.580 10.906 12.047 1.00 53.22 H new ATOM 747 N GLU A 48 17.418 14.138 11.213 1.00 41.42 N ATOM 748 CA GLU A 48 17.895 15.338 11.922 1.00 53.04 C ATOM 749 C GLU A 48 16.915 16.515 11.767 1.00 54.31 C ATOM 750 O GLU A 48 16.719 17.304 12.694 1.00 24.34 O ATOM 751 CB GLU A 48 19.291 15.747 11.417 1.00 2.15 C ATOM 752 CG GLU A 48 19.312 16.238 9.971 1.00 3.31 C ATOM 753 CD GLU A 48 20.709 16.616 9.498 1.00 44.02 C ATOM 754 OE1 GLU A 48 21.192 17.710 9.860 1.00 43.44 O ATOM 755 OE2 GLU A 48 21.332 15.821 8.762 1.00 32.34 O ATOM 0 H GLU A 48 18.079 13.764 10.532 1.00 41.42 H new ATOM 0 HA GLU A 48 17.958 15.087 12.981 1.00 53.04 H new ATOM 0 HB2 GLU A 48 19.683 16.533 12.062 1.00 2.15 H new ATOM 0 HB3 GLU A 48 19.963 14.894 11.510 1.00 2.15 H new ATOM 0 HG2 GLU A 48 18.911 15.460 9.322 1.00 3.31 H new ATOM 0 HG3 GLU A 48 18.655 17.102 9.876 1.00 3.31 H new ATOM 762 N LYS A 49 16.304 16.622 10.590 1.00 13.03 N ATOM 763 CA LYS A 49 15.302 17.655 10.319 1.00 2.41 C ATOM 764 C LYS A 49 14.079 17.050 9.617 1.00 15.23 C ATOM 765 O LYS A 49 14.034 16.944 8.390 1.00 62.31 O ATOM 766 CB LYS A 49 15.904 18.790 9.474 1.00 34.22 C ATOM 767 CG LYS A 49 14.909 19.896 9.127 1.00 51.01 C ATOM 768 CD LYS A 49 15.566 21.068 8.394 1.00 32.10 C ATOM 769 CE LYS A 49 16.343 21.989 9.338 1.00 65.20 C ATOM 770 NZ LYS A 49 17.461 21.297 10.033 1.00 61.05 N ATOM 0 H LYS A 49 16.486 16.001 9.801 1.00 13.03 H new ATOM 0 HA LYS A 49 14.979 18.074 11.272 1.00 2.41 H new ATOM 0 HB2 LYS A 49 16.744 19.226 10.015 1.00 34.22 H new ATOM 0 HB3 LYS A 49 16.303 18.370 8.550 1.00 34.22 H new ATOM 0 HG2 LYS A 49 14.114 19.483 8.506 1.00 51.01 H new ATOM 0 HG3 LYS A 49 14.442 20.260 10.042 1.00 51.01 H new ATOM 0 HD2 LYS A 49 16.242 20.682 7.631 1.00 32.10 H new ATOM 0 HD3 LYS A 49 14.799 21.646 7.878 1.00 32.10 H new ATOM 0 HE2 LYS A 49 16.740 22.831 8.771 1.00 65.20 H new ATOM 0 HE3 LYS A 49 15.659 22.400 10.081 1.00 65.20 H new ATOM 0 HZ1 LYS A 49 18.208 21.985 10.260 1.00 61.05 H new ATOM 0 HZ2 LYS A 49 17.110 20.865 10.912 1.00 61.05 H new ATOM 0 HZ3 LYS A 49 17.849 20.556 9.415 1.00 61.05 H new ATOM 784 N SER A 50 13.108 16.629 10.416 1.00 61.11 N ATOM 785 CA SER A 50 11.875 16.017 9.908 1.00 3.24 C ATOM 786 C SER A 50 10.806 15.997 11.005 1.00 64.10 C ATOM 787 O SER A 50 11.043 15.495 12.105 1.00 12.23 O ATOM 788 CB SER A 50 12.135 14.583 9.411 1.00 25.40 C ATOM 789 OG SER A 50 12.619 13.749 10.455 1.00 13.40 O ATOM 0 H SER A 50 13.147 16.699 11.433 1.00 61.11 H new ATOM 0 HA SER A 50 11.522 16.616 9.068 1.00 3.24 H new ATOM 0 HB2 SER A 50 11.213 14.164 9.007 1.00 25.40 H new ATOM 0 HB3 SER A 50 12.859 14.605 8.596 1.00 25.40 H new ATOM 0 HG SER A 50 12.338 14.113 11.321 1.00 13.40 H new ATOM 795 N GLU A 51 9.637 16.556 10.710 1.00 62.04 N ATOM 796 CA GLU A 51 8.552 16.649 11.693 1.00 0.14 C ATOM 797 C GLU A 51 7.936 15.272 11.994 1.00 41.15 C ATOM 798 O GLU A 51 7.502 15.007 13.117 1.00 2.41 O ATOM 799 CB GLU A 51 7.453 17.611 11.206 1.00 25.04 C ATOM 800 CG GLU A 51 7.911 19.057 10.995 1.00 11.22 C ATOM 801 CD GLU A 51 8.749 19.255 9.736 1.00 63.42 C ATOM 802 OE1 GLU A 51 9.988 19.117 9.812 1.00 35.14 O ATOM 803 OE2 GLU A 51 8.168 19.554 8.669 1.00 63.23 O ATOM 0 H GLU A 51 9.412 16.953 9.798 1.00 62.04 H new ATOM 0 HA GLU A 51 8.988 17.037 12.613 1.00 0.14 H new ATOM 0 HB2 GLU A 51 7.049 17.232 10.267 1.00 25.04 H new ATOM 0 HB3 GLU A 51 6.638 17.605 11.930 1.00 25.04 H new ATOM 0 HG2 GLU A 51 7.035 19.703 10.943 1.00 11.22 H new ATOM 0 HG3 GLU A 51 8.491 19.376 11.861 1.00 11.22 H new ATOM 810 N ALA A 52 7.901 14.403 10.987 1.00 55.21 N ATOM 811 CA ALA A 52 7.314 13.066 11.139 1.00 0.41 C ATOM 812 C ALA A 52 8.195 11.976 10.508 1.00 11.04 C ATOM 813 O ALA A 52 8.930 12.226 9.550 1.00 34.30 O ATOM 814 CB ALA A 52 5.916 13.033 10.532 1.00 73.15 C ATOM 0 H ALA A 52 8.271 14.596 10.056 1.00 55.21 H new ATOM 0 HA ALA A 52 7.248 12.855 12.206 1.00 0.41 H new ATOM 0 HB1 ALA A 52 5.491 12.036 10.651 1.00 73.15 H new ATOM 0 HB2 ALA A 52 5.282 13.761 11.039 1.00 73.15 H new ATOM 0 HB3 ALA A 52 5.974 13.279 9.472 1.00 73.15 H new ATOM 820 N ILE A 53 8.113 10.768 11.056 1.00 42.32 N ATOM 821 CA ILE A 53 8.866 9.617 10.545 1.00 45.32 C ATOM 822 C ILE A 53 7.933 8.430 10.266 1.00 71.14 C ATOM 823 O ILE A 53 7.266 7.922 11.168 1.00 72.04 O ATOM 824 CB ILE A 53 9.970 9.176 11.542 1.00 74.52 C ATOM 825 CG1 ILE A 53 11.003 10.301 11.727 1.00 73.40 C ATOM 826 CG2 ILE A 53 10.645 7.886 11.070 1.00 32.21 C ATOM 827 CD1 ILE A 53 12.143 9.938 12.655 1.00 20.42 C ATOM 0 H ILE A 53 7.527 10.555 11.863 1.00 42.32 H new ATOM 0 HA ILE A 53 9.337 9.931 9.614 1.00 45.32 H new ATOM 0 HB ILE A 53 9.504 8.975 12.507 1.00 74.52 H new ATOM 0 HG12 ILE A 53 11.412 10.570 10.753 1.00 73.40 H new ATOM 0 HG13 ILE A 53 10.498 11.185 12.116 1.00 73.40 H new ATOM 0 HG21 ILE A 53 11.415 7.596 11.784 1.00 32.21 H new ATOM 0 HG22 ILE A 53 9.902 7.092 10.996 1.00 32.21 H new ATOM 0 HG23 ILE A 53 11.100 8.050 10.093 1.00 32.21 H new ATOM 0 HD11 ILE A 53 12.830 10.781 12.735 1.00 20.42 H new ATOM 0 HD12 ILE A 53 11.747 9.698 13.642 1.00 20.42 H new ATOM 0 HD13 ILE A 53 12.675 9.074 12.257 1.00 20.42 H new ATOM 839 N ILE A 54 7.890 7.992 9.013 1.00 34.14 N ATOM 840 CA ILE A 54 7.036 6.871 8.610 1.00 64.45 C ATOM 841 C ILE A 54 7.834 5.558 8.552 1.00 22.20 C ATOM 842 O ILE A 54 8.696 5.371 7.687 1.00 55.54 O ATOM 843 CB ILE A 54 6.370 7.130 7.232 1.00 4.23 C ATOM 844 CG1 ILE A 54 5.581 8.455 7.261 1.00 23.03 C ATOM 845 CG2 ILE A 54 5.456 5.961 6.854 1.00 32.21 C ATOM 846 CD1 ILE A 54 4.923 8.811 5.942 1.00 1.33 C ATOM 0 H ILE A 54 8.437 8.395 8.253 1.00 34.14 H new ATOM 0 HA ILE A 54 6.255 6.781 9.365 1.00 64.45 H new ATOM 0 HB ILE A 54 7.150 7.212 6.475 1.00 4.23 H new ATOM 0 HG12 ILE A 54 4.814 8.392 8.033 1.00 23.03 H new ATOM 0 HG13 ILE A 54 6.256 9.261 7.548 1.00 23.03 H new ATOM 0 HG21 ILE A 54 4.996 6.157 5.885 1.00 32.21 H new ATOM 0 HG22 ILE A 54 6.042 5.044 6.798 1.00 32.21 H new ATOM 0 HG23 ILE A 54 4.678 5.849 7.609 1.00 32.21 H new ATOM 0 HD11 ILE A 54 4.388 9.755 6.045 1.00 1.33 H new ATOM 0 HD12 ILE A 54 5.686 8.908 5.169 1.00 1.33 H new ATOM 0 HD13 ILE A 54 4.221 8.026 5.662 1.00 1.33 H new ATOM 858 N GLN A 55 7.545 4.653 9.480 1.00 22.32 N ATOM 859 CA GLN A 55 8.240 3.366 9.551 1.00 20.44 C ATOM 860 C GLN A 55 7.328 2.228 9.071 1.00 62.55 C ATOM 861 O GLN A 55 6.402 1.822 9.773 1.00 70.23 O ATOM 862 CB GLN A 55 8.725 3.120 10.995 1.00 62.44 C ATOM 863 CG GLN A 55 9.566 1.853 11.192 1.00 32.41 C ATOM 864 CD GLN A 55 8.747 0.614 11.529 1.00 34.53 C ATOM 865 OE1 GLN A 55 7.694 0.694 12.156 1.00 30.10 O ATOM 866 NE2 GLN A 55 9.232 -0.540 11.129 1.00 24.11 N ATOM 0 H GLN A 55 6.832 4.784 10.198 1.00 22.32 H new ATOM 0 HA GLN A 55 9.107 3.391 8.891 1.00 20.44 H new ATOM 0 HB2 GLN A 55 9.312 3.980 11.316 1.00 62.44 H new ATOM 0 HB3 GLN A 55 7.855 3.065 11.650 1.00 62.44 H new ATOM 0 HG2 GLN A 55 10.137 1.663 10.283 1.00 32.41 H new ATOM 0 HG3 GLN A 55 10.287 2.028 11.990 1.00 32.41 H new ATOM 0 HE21 GLN A 55 10.109 -0.572 10.610 1.00 24.11 H new ATOM 0 HE22 GLN A 55 8.731 -1.404 11.338 1.00 24.11 H new ATOM 875 N ILE A 56 7.580 1.728 7.862 1.00 3.21 N ATOM 876 CA ILE A 56 6.791 0.622 7.315 1.00 61.52 C ATOM 877 C ILE A 56 7.324 -0.719 7.849 1.00 52.25 C ATOM 878 O ILE A 56 8.481 -1.076 7.635 1.00 71.42 O ATOM 879 CB ILE A 56 6.760 0.659 5.752 1.00 13.10 C ATOM 880 CG1 ILE A 56 5.753 -0.363 5.169 1.00 22.12 C ATOM 881 CG2 ILE A 56 8.152 0.450 5.157 1.00 65.34 C ATOM 882 CD1 ILE A 56 6.256 -1.794 5.092 1.00 12.40 C ATOM 0 H ILE A 56 8.318 2.067 7.245 1.00 3.21 H new ATOM 0 HA ILE A 56 5.759 0.733 7.648 1.00 61.52 H new ATOM 0 HB ILE A 56 6.420 1.655 5.468 1.00 13.10 H new ATOM 0 HG12 ILE A 56 4.848 -0.345 5.777 1.00 22.12 H new ATOM 0 HG13 ILE A 56 5.470 -0.040 4.167 1.00 22.12 H new ATOM 0 HG21 ILE A 56 8.091 0.482 4.069 1.00 65.34 H new ATOM 0 HG22 ILE A 56 8.819 1.238 5.506 1.00 65.34 H new ATOM 0 HG23 ILE A 56 8.540 -0.519 5.470 1.00 65.34 H new ATOM 0 HD11 ILE A 56 5.478 -2.431 4.671 1.00 12.40 H new ATOM 0 HD12 ILE A 56 7.142 -1.835 4.458 1.00 12.40 H new ATOM 0 HD13 ILE A 56 6.510 -2.145 6.092 1.00 12.40 H new ATOM 894 N VAL A 57 6.471 -1.444 8.566 1.00 65.02 N ATOM 895 CA VAL A 57 6.876 -2.687 9.231 1.00 42.34 C ATOM 896 C VAL A 57 7.053 -3.839 8.234 1.00 43.32 C ATOM 897 O VAL A 57 8.133 -4.426 8.133 1.00 31.43 O ATOM 898 CB VAL A 57 5.841 -3.103 10.307 1.00 25.45 C ATOM 899 CG1 VAL A 57 6.308 -4.344 11.071 1.00 75.33 C ATOM 900 CG2 VAL A 57 5.567 -1.943 11.260 1.00 4.54 C ATOM 0 H VAL A 57 5.492 -1.195 8.704 1.00 65.02 H new ATOM 0 HA VAL A 57 7.837 -2.487 9.705 1.00 42.34 H new ATOM 0 HB VAL A 57 4.909 -3.359 9.803 1.00 25.45 H new ATOM 0 HG11 VAL A 57 5.562 -4.613 11.819 1.00 75.33 H new ATOM 0 HG12 VAL A 57 6.438 -5.172 10.375 1.00 75.33 H new ATOM 0 HG13 VAL A 57 7.257 -4.132 11.564 1.00 75.33 H new ATOM 0 HG21 VAL A 57 4.838 -2.252 12.009 1.00 4.54 H new ATOM 0 HG22 VAL A 57 6.494 -1.651 11.754 1.00 4.54 H new ATOM 0 HG23 VAL A 57 5.173 -1.096 10.698 1.00 4.54 H new ATOM 910 N HIS A 58 5.990 -4.159 7.498 1.00 74.14 N ATOM 911 CA HIS A 58 6.015 -5.291 6.568 1.00 51.41 C ATOM 912 C HIS A 58 4.761 -5.309 5.676 1.00 3.24 C ATOM 913 O HIS A 58 3.646 -5.088 6.149 1.00 22.53 O ATOM 914 CB HIS A 58 6.125 -6.605 7.361 1.00 5.54 C ATOM 915 CG HIS A 58 6.418 -7.816 6.529 1.00 71.34 C ATOM 916 ND1 HIS A 58 5.798 -9.029 6.724 1.00 72.12 N ATOM 917 CD2 HIS A 58 7.293 -8.008 5.511 1.00 52.22 C ATOM 918 CE1 HIS A 58 6.274 -9.910 5.868 1.00 72.33 C ATOM 919 NE2 HIS A 58 7.182 -9.319 5.119 1.00 65.31 N ATOM 0 H HIS A 58 5.104 -3.654 7.526 1.00 74.14 H new ATOM 0 HA HIS A 58 6.883 -5.185 5.917 1.00 51.41 H new ATOM 0 HB2 HIS A 58 6.910 -6.497 8.110 1.00 5.54 H new ATOM 0 HB3 HIS A 58 5.191 -6.768 7.899 1.00 5.54 H new ATOM 0 HD2 HIS A 58 7.955 -7.267 5.087 1.00 52.22 H new ATOM 0 HE1 HIS A 58 5.971 -10.944 5.793 1.00 72.33 H new ATOM 0 HE2 HIS A 58 7.715 -9.762 4.371 1.00 65.31 H new ATOM 928 N ALA A 59 4.956 -5.562 4.381 1.00 55.10 N ATOM 929 CA ALA A 59 3.845 -5.658 3.422 1.00 43.34 C ATOM 930 C ALA A 59 3.635 -7.113 2.965 1.00 40.32 C ATOM 931 O ALA A 59 4.509 -7.703 2.328 1.00 60.22 O ATOM 932 CB ALA A 59 4.106 -4.754 2.220 1.00 24.54 C ATOM 0 H ALA A 59 5.877 -5.705 3.967 1.00 55.10 H new ATOM 0 HA ALA A 59 2.934 -5.326 3.920 1.00 43.34 H new ATOM 0 HB1 ALA A 59 3.276 -4.834 1.518 1.00 24.54 H new ATOM 0 HB2 ALA A 59 4.199 -3.721 2.555 1.00 24.54 H new ATOM 0 HB3 ALA A 59 5.029 -5.060 1.728 1.00 24.54 H new ATOM 938 N ILE A 60 2.479 -7.690 3.302 1.00 42.00 N ATOM 939 CA ILE A 60 2.176 -9.092 2.965 1.00 74.01 C ATOM 940 C ILE A 60 1.041 -9.176 1.936 1.00 53.42 C ATOM 941 O ILE A 60 -0.003 -8.560 2.116 1.00 41.04 O ATOM 942 CB ILE A 60 1.749 -9.922 4.216 1.00 50.02 C ATOM 943 CG1 ILE A 60 2.735 -9.744 5.389 1.00 2.15 C ATOM 944 CG2 ILE A 60 1.615 -11.403 3.856 1.00 74.11 C ATOM 945 CD1 ILE A 60 2.584 -8.434 6.139 1.00 50.23 C ATOM 0 H ILE A 60 1.734 -7.212 3.808 1.00 42.00 H new ATOM 0 HA ILE A 60 3.096 -9.508 2.555 1.00 74.01 H new ATOM 0 HB ILE A 60 0.779 -9.545 4.541 1.00 50.02 H new ATOM 0 HG12 ILE A 60 2.600 -10.568 6.090 1.00 2.15 H new ATOM 0 HG13 ILE A 60 3.753 -9.815 5.006 1.00 2.15 H new ATOM 0 HG21 ILE A 60 1.317 -11.967 4.740 1.00 74.11 H new ATOM 0 HG22 ILE A 60 0.861 -11.522 3.078 1.00 74.11 H new ATOM 0 HG23 ILE A 60 2.572 -11.777 3.493 1.00 74.11 H new ATOM 0 HD11 ILE A 60 3.315 -8.391 6.947 1.00 50.23 H new ATOM 0 HD12 ILE A 60 2.750 -7.602 5.455 1.00 50.23 H new ATOM 0 HD13 ILE A 60 1.579 -8.367 6.555 1.00 50.23 H new ATOM 957 N ARG A 61 1.230 -9.943 0.866 1.00 32.10 N ATOM 958 CA ARG A 61 0.162 -10.131 -0.125 1.00 50.43 C ATOM 959 C ARG A 61 0.200 -11.537 -0.744 1.00 2.32 C ATOM 960 O ARG A 61 1.238 -11.990 -1.229 1.00 4.43 O ATOM 961 CB ARG A 61 0.228 -9.045 -1.214 1.00 43.20 C ATOM 962 CG ARG A 61 1.548 -8.971 -1.976 1.00 45.40 C ATOM 963 CD ARG A 61 1.583 -7.763 -2.910 1.00 15.20 C ATOM 964 NE ARG A 61 2.793 -7.733 -3.727 1.00 34.20 N ATOM 965 CZ ARG A 61 3.447 -6.648 -4.053 1.00 1.14 C ATOM 966 NH1 ARG A 61 3.078 -5.486 -3.610 1.00 44.21 N ATOM 967 NH2 ARG A 61 4.478 -6.734 -4.823 1.00 34.04 N ATOM 0 H ARG A 61 2.097 -10.440 0.660 1.00 32.10 H new ATOM 0 HA ARG A 61 -0.790 -10.033 0.397 1.00 50.43 H new ATOM 0 HB2 ARG A 61 -0.577 -9.220 -1.928 1.00 43.20 H new ATOM 0 HB3 ARG A 61 0.039 -8.076 -0.751 1.00 43.20 H new ATOM 0 HG2 ARG A 61 2.375 -8.911 -1.269 1.00 45.40 H new ATOM 0 HG3 ARG A 61 1.688 -9.884 -2.554 1.00 45.40 H new ATOM 0 HD2 ARG A 61 0.708 -7.783 -3.560 1.00 15.20 H new ATOM 0 HD3 ARG A 61 1.522 -6.848 -2.321 1.00 15.20 H new ATOM 0 HE ARG A 61 3.155 -8.623 -4.069 1.00 34.20 H new ATOM 0 HH11 ARG A 61 2.266 -5.408 -2.997 1.00 44.21 H new ATOM 0 HH12 ARG A 61 3.600 -4.650 -3.874 1.00 44.21 H new ATOM 0 HH21 ARG A 61 4.778 -7.644 -5.173 1.00 34.04 H new ATOM 0 HH22 ARG A 61 4.993 -5.892 -5.082 1.00 34.04 H new ATOM 981 N GLU A 62 -0.944 -12.224 -0.710 1.00 42.21 N ATOM 982 CA GLU A 62 -1.056 -13.592 -1.235 1.00 55.20 C ATOM 983 C GLU A 62 -2.250 -13.726 -2.191 1.00 32.41 C ATOM 984 O GLU A 62 -3.351 -13.256 -1.899 1.00 55.12 O ATOM 985 CB GLU A 62 -1.216 -14.603 -0.086 1.00 25.22 C ATOM 986 CG GLU A 62 -0.019 -14.682 0.858 1.00 61.11 C ATOM 987 CD GLU A 62 -0.199 -15.743 1.936 1.00 21.44 C ATOM 988 OE1 GLU A 62 -0.836 -15.449 2.969 1.00 32.43 O ATOM 989 OE2 GLU A 62 0.277 -16.882 1.747 1.00 33.24 O ATOM 0 H GLU A 62 -1.812 -11.855 -0.322 1.00 42.21 H new ATOM 0 HA GLU A 62 -0.138 -13.805 -1.783 1.00 55.20 H new ATOM 0 HB2 GLU A 62 -2.102 -14.340 0.492 1.00 25.22 H new ATOM 0 HB3 GLU A 62 -1.394 -15.591 -0.510 1.00 25.22 H new ATOM 0 HG2 GLU A 62 0.880 -14.901 0.283 1.00 61.11 H new ATOM 0 HG3 GLU A 62 0.133 -13.711 1.329 1.00 61.11 H new ATOM 996 N LYS A 63 -2.024 -14.372 -3.328 1.00 33.11 N ATOM 997 CA LYS A 63 -3.096 -14.638 -4.287 1.00 32.12 C ATOM 998 C LYS A 63 -3.746 -16.005 -4.003 1.00 51.52 C ATOM 999 O LYS A 63 -3.151 -17.055 -4.243 1.00 64.43 O ATOM 1000 CB LYS A 63 -2.546 -14.556 -5.725 1.00 53.20 C ATOM 1001 CG LYS A 63 -1.397 -15.517 -6.026 1.00 54.14 C ATOM 1002 CD LYS A 63 -0.726 -15.210 -7.366 1.00 23.21 C ATOM 1003 CE LYS A 63 -1.715 -15.206 -8.529 1.00 13.54 C ATOM 1004 NZ LYS A 63 -1.035 -14.976 -9.833 1.00 33.33 N ATOM 0 H LYS A 63 -1.109 -14.723 -3.611 1.00 33.11 H new ATOM 0 HA LYS A 63 -3.872 -13.880 -4.179 1.00 32.12 H new ATOM 0 HB2 LYS A 63 -3.360 -14.755 -6.422 1.00 53.20 H new ATOM 0 HB3 LYS A 63 -2.208 -13.537 -5.912 1.00 53.20 H new ATOM 0 HG2 LYS A 63 -0.657 -15.457 -5.228 1.00 54.14 H new ATOM 0 HG3 LYS A 63 -1.774 -16.540 -6.036 1.00 54.14 H new ATOM 0 HD2 LYS A 63 -0.234 -14.239 -7.308 1.00 23.21 H new ATOM 0 HD3 LYS A 63 0.051 -15.950 -7.557 1.00 23.21 H new ATOM 0 HE2 LYS A 63 -2.245 -16.158 -8.559 1.00 13.54 H new ATOM 0 HE3 LYS A 63 -2.463 -14.430 -8.367 1.00 13.54 H new ATOM 0 HZ1 LYS A 63 -1.748 -14.811 -10.572 1.00 33.33 H new ATOM 0 HZ2 LYS A 63 -0.415 -14.145 -9.759 1.00 33.33 H new ATOM 0 HZ3 LYS A 63 -0.467 -15.811 -10.080 1.00 33.33 H new ATOM 1018 N ARG A 64 -4.971 -15.984 -3.478 1.00 42.31 N ATOM 1019 CA ARG A 64 -5.648 -17.211 -3.034 1.00 52.44 C ATOM 1020 C ARG A 64 -7.074 -17.327 -3.607 1.00 44.45 C ATOM 1021 O ARG A 64 -7.555 -16.435 -4.299 1.00 11.31 O ATOM 1022 CB ARG A 64 -5.686 -17.249 -1.495 1.00 32.42 C ATOM 1023 CG ARG A 64 -6.393 -16.051 -0.855 1.00 74.25 C ATOM 1024 CD ARG A 64 -6.371 -16.118 0.671 1.00 62.41 C ATOM 1025 NE ARG A 64 -5.014 -16.036 1.219 1.00 2.25 N ATOM 1026 CZ ARG A 64 -4.722 -16.206 2.485 1.00 12.43 C ATOM 1027 NH1 ARG A 64 -5.643 -16.509 3.345 1.00 12.04 N ATOM 1028 NH2 ARG A 64 -3.500 -16.086 2.897 1.00 32.12 N ATOM 0 H ARG A 64 -5.518 -15.133 -3.348 1.00 42.31 H new ATOM 0 HA ARG A 64 -5.081 -18.062 -3.411 1.00 52.44 H new ATOM 0 HB2 ARG A 64 -6.186 -18.164 -1.178 1.00 32.42 H new ATOM 0 HB3 ARG A 64 -4.664 -17.297 -1.119 1.00 32.42 H new ATOM 0 HG2 ARG A 64 -5.913 -15.129 -1.184 1.00 74.25 H new ATOM 0 HG3 ARG A 64 -7.426 -16.013 -1.201 1.00 74.25 H new ATOM 0 HD2 ARG A 64 -6.972 -15.304 1.075 1.00 62.41 H new ATOM 0 HD3 ARG A 64 -6.835 -17.049 0.997 1.00 62.41 H new ATOM 0 HE ARG A 64 -4.249 -15.834 0.575 1.00 2.25 H new ATOM 0 HH11 ARG A 64 -6.610 -16.618 3.039 1.00 12.04 H new ATOM 0 HH12 ARG A 64 -5.401 -16.638 4.327 1.00 12.04 H new ATOM 0 HH21 ARG A 64 -2.759 -15.858 2.235 1.00 32.12 H new ATOM 0 HH22 ARG A 64 -3.279 -16.220 3.884 1.00 32.12 H new ATOM 1042 N ILE A 65 -7.739 -18.444 -3.321 1.00 23.04 N ATOM 1043 CA ILE A 65 -9.110 -18.683 -3.790 1.00 64.21 C ATOM 1044 C ILE A 65 -10.163 -18.040 -2.872 1.00 32.12 C ATOM 1045 O ILE A 65 -10.034 -18.055 -1.647 1.00 31.40 O ATOM 1046 CB ILE A 65 -9.392 -20.210 -3.924 1.00 22.10 C ATOM 1047 CG1 ILE A 65 -8.917 -20.722 -5.293 1.00 74.05 C ATOM 1048 CG2 ILE A 65 -10.873 -20.538 -3.707 1.00 41.32 C ATOM 1049 CD1 ILE A 65 -9.656 -20.096 -6.460 1.00 1.01 C ATOM 0 H ILE A 65 -7.351 -19.205 -2.763 1.00 23.04 H new ATOM 0 HA ILE A 65 -9.190 -18.212 -4.770 1.00 64.21 H new ATOM 0 HB ILE A 65 -8.830 -20.720 -3.142 1.00 22.10 H new ATOM 0 HG12 ILE A 65 -7.851 -20.521 -5.398 1.00 74.05 H new ATOM 0 HG13 ILE A 65 -9.043 -21.804 -5.331 1.00 74.05 H new ATOM 0 HG21 ILE A 65 -11.026 -21.612 -3.809 1.00 41.32 H new ATOM 0 HG22 ILE A 65 -11.173 -20.222 -2.708 1.00 41.32 H new ATOM 0 HG23 ILE A 65 -11.474 -20.013 -4.449 1.00 41.32 H new ATOM 0 HD11 ILE A 65 -9.270 -20.502 -7.395 1.00 1.01 H new ATOM 0 HD12 ILE A 65 -10.720 -20.319 -6.379 1.00 1.01 H new ATOM 0 HD13 ILE A 65 -9.510 -19.016 -6.446 1.00 1.01 H new ATOM 1061 N LEU A 66 -11.206 -17.475 -3.486 1.00 63.34 N ATOM 1062 CA LEU A 66 -12.339 -16.915 -2.746 1.00 62.11 C ATOM 1063 C LEU A 66 -13.615 -17.738 -2.989 1.00 13.03 C ATOM 1064 O LEU A 66 -14.291 -18.152 -2.046 1.00 61.52 O ATOM 1065 CB LEU A 66 -12.567 -15.456 -3.160 1.00 22.30 C ATOM 1066 CG LEU A 66 -13.645 -14.708 -2.358 1.00 72.41 C ATOM 1067 CD1 LEU A 66 -13.296 -14.676 -0.871 1.00 63.32 C ATOM 1068 CD2 LEU A 66 -13.831 -13.293 -2.898 1.00 23.32 C ATOM 0 H LEU A 66 -11.289 -17.393 -4.499 1.00 63.34 H new ATOM 0 HA LEU A 66 -12.105 -16.953 -1.682 1.00 62.11 H new ATOM 0 HB2 LEU A 66 -11.625 -14.916 -3.063 1.00 22.30 H new ATOM 0 HB3 LEU A 66 -12.840 -15.433 -4.215 1.00 22.30 H new ATOM 0 HG LEU A 66 -14.586 -15.246 -2.472 1.00 72.41 H new ATOM 0 HD11 LEU A 66 -14.074 -14.141 -0.326 1.00 63.32 H new ATOM 0 HD12 LEU A 66 -13.223 -15.696 -0.492 1.00 63.32 H new ATOM 0 HD13 LEU A 66 -12.342 -14.168 -0.732 1.00 63.32 H new ATOM 0 HD21 LEU A 66 -14.598 -12.780 -2.318 1.00 23.32 H new ATOM 0 HD22 LEU A 66 -12.891 -12.747 -2.820 1.00 23.32 H new ATOM 0 HD23 LEU A 66 -14.138 -13.340 -3.943 1.00 23.32 H new ATOM 1080 N SER A 67 -13.932 -17.989 -4.263 1.00 32.32 N ATOM 1081 CA SER A 67 -15.152 -18.734 -4.627 1.00 61.32 C ATOM 1082 C SER A 67 -14.870 -19.819 -5.679 1.00 20.02 C ATOM 1083 O SER A 67 -14.130 -19.589 -6.642 1.00 45.35 O ATOM 1084 CB SER A 67 -16.227 -17.772 -5.154 1.00 42.53 C ATOM 1085 OG SER A 67 -16.562 -16.791 -4.182 1.00 22.20 O ATOM 0 H SER A 67 -13.368 -17.691 -5.059 1.00 32.32 H new ATOM 0 HA SER A 67 -15.511 -19.227 -3.724 1.00 61.32 H new ATOM 0 HB2 SER A 67 -15.868 -17.283 -6.059 1.00 42.53 H new ATOM 0 HB3 SER A 67 -17.119 -18.335 -5.428 1.00 42.53 H new ATOM 0 HG SER A 67 -17.247 -16.191 -4.545 1.00 22.20 H new ATOM 1091 N LEU A 68 -15.478 -20.996 -5.494 1.00 42.02 N ATOM 1092 CA LEU A 68 -15.269 -22.145 -6.392 1.00 24.32 C ATOM 1093 C LEU A 68 -16.593 -22.688 -6.963 1.00 14.14 C ATOM 1094 O LEU A 68 -17.680 -22.251 -6.587 1.00 63.45 O ATOM 1095 CB LEU A 68 -14.546 -23.277 -5.641 1.00 25.24 C ATOM 1096 CG LEU A 68 -13.115 -22.966 -5.174 1.00 55.31 C ATOM 1097 CD1 LEU A 68 -12.550 -24.124 -4.352 1.00 33.41 C ATOM 1098 CD2 LEU A 68 -12.213 -22.665 -6.371 1.00 5.03 C ATOM 0 H LEU A 68 -16.123 -21.182 -4.726 1.00 42.02 H new ATOM 0 HA LEU A 68 -14.660 -21.792 -7.225 1.00 24.32 H new ATOM 0 HB2 LEU A 68 -15.142 -23.546 -4.769 1.00 25.24 H new ATOM 0 HB3 LEU A 68 -14.514 -24.154 -6.288 1.00 25.24 H new ATOM 0 HG LEU A 68 -13.148 -22.082 -4.538 1.00 55.31 H new ATOM 0 HD11 LEU A 68 -11.536 -23.882 -4.032 1.00 33.41 H new ATOM 0 HD12 LEU A 68 -13.178 -24.289 -3.476 1.00 33.41 H new ATOM 0 HD13 LEU A 68 -12.532 -25.028 -4.961 1.00 33.41 H new ATOM 0 HD21 LEU A 68 -11.204 -22.447 -6.021 1.00 5.03 H new ATOM 0 HD22 LEU A 68 -12.188 -23.530 -7.034 1.00 5.03 H new ATOM 0 HD23 LEU A 68 -12.603 -21.803 -6.913 1.00 5.03 H new ATOM 1110 N SER A 69 -16.474 -23.646 -7.882 1.00 2.32 N ATOM 1111 CA SER A 69 -17.631 -24.368 -8.445 1.00 51.11 C ATOM 1112 C SER A 69 -17.233 -25.801 -8.812 1.00 11.52 C ATOM 1113 O SER A 69 -16.066 -26.162 -8.699 1.00 64.11 O ATOM 1114 CB SER A 69 -18.174 -23.649 -9.688 1.00 61.22 C ATOM 1115 OG SER A 69 -19.212 -24.394 -10.308 1.00 23.11 O ATOM 0 H SER A 69 -15.577 -23.948 -8.261 1.00 2.32 H new ATOM 0 HA SER A 69 -18.414 -24.393 -7.687 1.00 51.11 H new ATOM 0 HB2 SER A 69 -18.549 -22.665 -9.406 1.00 61.22 H new ATOM 0 HB3 SER A 69 -17.364 -23.489 -10.400 1.00 61.22 H new ATOM 0 HG SER A 69 -19.538 -23.909 -11.095 1.00 23.11 H new ATOM 1121 N GLU A 70 -18.201 -26.618 -9.234 1.00 24.22 N ATOM 1122 CA GLU A 70 -17.924 -28.001 -9.672 1.00 32.53 C ATOM 1123 C GLU A 70 -17.100 -28.801 -8.638 1.00 21.14 C ATOM 1124 O GLU A 70 -16.438 -29.780 -8.991 1.00 72.35 O ATOM 1125 CB GLU A 70 -17.181 -27.978 -11.020 1.00 73.34 C ATOM 1126 CG GLU A 70 -17.986 -27.375 -12.168 1.00 45.31 C ATOM 1127 CD GLU A 70 -17.169 -27.226 -13.443 1.00 31.42 C ATOM 1128 OE1 GLU A 70 -16.754 -28.253 -14.018 1.00 75.04 O ATOM 1129 OE2 GLU A 70 -16.933 -26.080 -13.880 1.00 25.24 O ATOM 0 H GLU A 70 -19.185 -26.352 -9.284 1.00 24.22 H new ATOM 0 HA GLU A 70 -18.885 -28.504 -9.776 1.00 32.53 H new ATOM 0 HB2 GLU A 70 -16.257 -27.412 -10.903 1.00 73.34 H new ATOM 0 HB3 GLU A 70 -16.900 -28.997 -11.284 1.00 73.34 H new ATOM 0 HG2 GLU A 70 -18.853 -28.004 -12.368 1.00 45.31 H new ATOM 0 HG3 GLU A 70 -18.364 -26.398 -11.867 1.00 45.31 H new ATOM 1136 N SER A 71 -17.151 -28.383 -7.369 1.00 31.41 N ATOM 1137 CA SER A 71 -16.385 -29.031 -6.284 1.00 43.32 C ATOM 1138 C SER A 71 -14.866 -28.807 -6.432 1.00 65.42 C ATOM 1139 O SER A 71 -14.067 -29.682 -6.090 1.00 74.11 O ATOM 1140 CB SER A 71 -16.683 -30.545 -6.217 1.00 33.40 C ATOM 1141 OG SER A 71 -18.070 -30.801 -6.017 1.00 0.33 O ATOM 0 H SER A 71 -17.718 -27.593 -7.060 1.00 31.41 H new ATOM 0 HA SER A 71 -16.708 -28.562 -5.354 1.00 43.32 H new ATOM 0 HB2 SER A 71 -16.355 -31.022 -7.141 1.00 33.40 H new ATOM 0 HB3 SER A 71 -16.110 -30.993 -5.406 1.00 33.40 H new ATOM 0 HG SER A 71 -18.222 -31.768 -5.981 1.00 0.33 H new ATOM 1147 N GLY A 72 -14.463 -27.632 -6.924 1.00 20.23 N ATOM 1148 CA GLY A 72 -13.034 -27.323 -7.036 1.00 75.01 C ATOM 1149 C GLY A 72 -12.673 -26.360 -8.170 1.00 24.01 C ATOM 1150 O GLY A 72 -11.606 -25.743 -8.143 1.00 44.52 O ATOM 0 H GLY A 72 -15.089 -26.894 -7.245 1.00 20.23 H new ATOM 0 HA2 GLY A 72 -12.694 -26.895 -6.093 1.00 75.01 H new ATOM 0 HA3 GLY A 72 -12.485 -28.254 -7.180 1.00 75.01 H new ATOM 1154 N ARG A 73 -13.543 -26.242 -9.171 1.00 34.00 N ATOM 1155 CA ARG A 73 -13.307 -25.344 -10.310 1.00 73.23 C ATOM 1156 C ARG A 73 -13.056 -23.895 -9.860 1.00 12.34 C ATOM 1157 O ARG A 73 -13.869 -23.303 -9.145 1.00 54.23 O ATOM 1158 CB ARG A 73 -14.508 -25.365 -11.268 1.00 63.20 C ATOM 1159 CG ARG A 73 -14.294 -24.551 -12.542 1.00 51.21 C ATOM 1160 CD ARG A 73 -13.399 -25.285 -13.535 1.00 51.04 C ATOM 1161 NE ARG A 73 -14.062 -26.463 -14.089 1.00 21.23 N ATOM 1162 CZ ARG A 73 -13.459 -27.424 -14.731 1.00 4.41 C ATOM 1163 NH1 ARG A 73 -12.170 -27.426 -14.867 1.00 12.32 N ATOM 1164 NH2 ARG A 73 -14.156 -28.404 -15.203 1.00 63.34 N ATOM 0 H ARG A 73 -14.422 -26.757 -9.220 1.00 34.00 H new ATOM 0 HA ARG A 73 -12.414 -25.708 -10.819 1.00 73.23 H new ATOM 0 HB2 ARG A 73 -14.726 -26.398 -11.540 1.00 63.20 H new ATOM 0 HB3 ARG A 73 -15.384 -24.981 -10.746 1.00 63.20 H new ATOM 0 HG2 ARG A 73 -15.258 -24.341 -13.006 1.00 51.21 H new ATOM 0 HG3 ARG A 73 -13.846 -23.590 -12.289 1.00 51.21 H new ATOM 0 HD2 ARG A 73 -13.121 -24.609 -14.344 1.00 51.04 H new ATOM 0 HD3 ARG A 73 -12.476 -25.586 -13.040 1.00 51.04 H new ATOM 0 HE ARG A 73 -15.071 -26.539 -13.964 1.00 21.23 H new ATOM 0 HH11 ARG A 73 -11.614 -26.669 -14.469 1.00 12.32 H new ATOM 0 HH12 ARG A 73 -11.712 -28.185 -15.372 1.00 12.32 H new ATOM 0 HH21 ARG A 73 -15.167 -28.420 -15.072 1.00 63.34 H new ATOM 0 HH22 ARG A 73 -13.695 -29.161 -15.707 1.00 63.34 H new ATOM 1178 N VAL A 74 -11.934 -23.328 -10.300 1.00 23.10 N ATOM 1179 CA VAL A 74 -11.577 -21.944 -9.974 1.00 61.42 C ATOM 1180 C VAL A 74 -12.552 -20.935 -10.610 1.00 52.13 C ATOM 1181 O VAL A 74 -12.877 -21.032 -11.792 1.00 3.02 O ATOM 1182 CB VAL A 74 -10.134 -21.616 -10.442 1.00 51.33 C ATOM 1183 CG1 VAL A 74 -9.764 -20.168 -10.120 1.00 52.55 C ATOM 1184 CG2 VAL A 74 -9.133 -22.587 -9.816 1.00 3.55 C ATOM 0 H VAL A 74 -11.251 -23.807 -10.887 1.00 23.10 H new ATOM 0 HA VAL A 74 -11.639 -21.854 -8.889 1.00 61.42 H new ATOM 0 HB VAL A 74 -10.095 -21.734 -11.525 1.00 51.33 H new ATOM 0 HG11 VAL A 74 -8.748 -19.968 -10.460 1.00 52.55 H new ATOM 0 HG12 VAL A 74 -10.455 -19.495 -10.627 1.00 52.55 H new ATOM 0 HG13 VAL A 74 -9.825 -20.008 -9.044 1.00 52.55 H new ATOM 0 HG21 VAL A 74 -8.127 -22.341 -10.156 1.00 3.55 H new ATOM 0 HG22 VAL A 74 -9.179 -22.507 -8.730 1.00 3.55 H new ATOM 0 HG23 VAL A 74 -9.378 -23.606 -10.115 1.00 3.55 H new ATOM 1194 N ARG A 75 -13.019 -19.977 -9.808 1.00 35.14 N ATOM 1195 CA ARG A 75 -13.889 -18.894 -10.296 1.00 53.53 C ATOM 1196 C ARG A 75 -13.333 -17.515 -9.911 1.00 11.33 C ATOM 1197 O ARG A 75 -12.769 -16.799 -10.739 1.00 72.35 O ATOM 1198 CB ARG A 75 -15.306 -19.036 -9.719 1.00 11.21 C ATOM 1199 CG ARG A 75 -16.095 -20.224 -10.252 1.00 34.52 C ATOM 1200 CD ARG A 75 -17.509 -20.250 -9.680 1.00 13.23 C ATOM 1201 NE ARG A 75 -18.236 -19.008 -9.937 1.00 5.22 N ATOM 1202 CZ ARG A 75 -19.492 -18.815 -9.636 1.00 61.51 C ATOM 1203 NH1 ARG A 75 -20.192 -19.751 -9.079 1.00 33.15 N ATOM 1204 NH2 ARG A 75 -20.049 -17.682 -9.895 1.00 35.42 N ATOM 0 H ARG A 75 -12.810 -19.925 -8.811 1.00 35.14 H new ATOM 0 HA ARG A 75 -13.924 -18.973 -11.383 1.00 53.53 H new ATOM 0 HB2 ARG A 75 -15.235 -19.122 -8.635 1.00 11.21 H new ATOM 0 HB3 ARG A 75 -15.863 -18.123 -9.931 1.00 11.21 H new ATOM 0 HG2 ARG A 75 -16.141 -20.174 -11.340 1.00 34.52 H new ATOM 0 HG3 ARG A 75 -15.580 -21.150 -9.997 1.00 34.52 H new ATOM 0 HD2 ARG A 75 -18.058 -21.086 -10.113 1.00 13.23 H new ATOM 0 HD3 ARG A 75 -17.460 -20.424 -8.605 1.00 13.23 H new ATOM 0 HE ARG A 75 -17.729 -18.242 -10.380 1.00 5.22 H new ATOM 0 HH11 ARG A 75 -19.763 -20.653 -8.870 1.00 33.15 H new ATOM 0 HH12 ARG A 75 -21.172 -19.587 -8.849 1.00 33.15 H new ATOM 0 HH21 ARG A 75 -19.509 -16.937 -10.335 1.00 35.42 H new ATOM 0 HH22 ARG A 75 -21.030 -17.530 -9.660 1.00 35.42 H new ATOM 1218 N GLU A 76 -13.498 -17.163 -8.636 1.00 50.20 N ATOM 1219 CA GLU A 76 -13.109 -15.847 -8.127 1.00 25.10 C ATOM 1220 C GLU A 76 -11.861 -15.952 -7.239 1.00 51.14 C ATOM 1221 O GLU A 76 -11.883 -16.586 -6.177 1.00 33.34 O ATOM 1222 CB GLU A 76 -14.289 -15.237 -7.353 1.00 51.52 C ATOM 1223 CG GLU A 76 -15.538 -15.035 -8.216 1.00 33.41 C ATOM 1224 CD GLU A 76 -16.778 -14.673 -7.411 1.00 53.13 C ATOM 1225 OE1 GLU A 76 -16.867 -13.526 -6.923 1.00 12.13 O ATOM 1226 OE2 GLU A 76 -17.674 -15.531 -7.268 1.00 62.41 O ATOM 0 H GLU A 76 -13.903 -17.778 -7.930 1.00 50.20 H new ATOM 0 HA GLU A 76 -12.858 -15.196 -8.964 1.00 25.10 H new ATOM 0 HB2 GLU A 76 -14.537 -15.885 -6.512 1.00 51.52 H new ATOM 0 HB3 GLU A 76 -13.984 -14.277 -6.936 1.00 51.52 H new ATOM 0 HG2 GLU A 76 -15.344 -14.247 -8.944 1.00 33.41 H new ATOM 0 HG3 GLU A 76 -15.733 -15.948 -8.779 1.00 33.41 H new ATOM 1233 N PHE A 77 -10.772 -15.344 -7.695 1.00 41.53 N ATOM 1234 CA PHE A 77 -9.486 -15.394 -6.995 1.00 14.12 C ATOM 1235 C PHE A 77 -9.310 -14.163 -6.084 1.00 22.00 C ATOM 1236 O PHE A 77 -9.367 -13.023 -6.550 1.00 64.33 O ATOM 1237 CB PHE A 77 -8.351 -15.462 -8.036 1.00 13.51 C ATOM 1238 CG PHE A 77 -7.247 -16.435 -7.701 1.00 4.52 C ATOM 1239 CD1 PHE A 77 -7.449 -17.801 -7.834 1.00 63.42 C ATOM 1240 CD2 PHE A 77 -6.006 -15.988 -7.272 1.00 23.15 C ATOM 1241 CE1 PHE A 77 -6.440 -18.699 -7.547 1.00 55.41 C ATOM 1242 CE2 PHE A 77 -4.995 -16.883 -6.984 1.00 24.43 C ATOM 1243 CZ PHE A 77 -5.211 -18.239 -7.120 1.00 34.14 C ATOM 0 H PHE A 77 -10.752 -14.802 -8.559 1.00 41.53 H new ATOM 0 HA PHE A 77 -9.455 -16.281 -6.363 1.00 14.12 H new ATOM 0 HB2 PHE A 77 -8.777 -15.735 -9.001 1.00 13.51 H new ATOM 0 HB3 PHE A 77 -7.919 -14.468 -8.148 1.00 13.51 H new ATOM 0 HD1 PHE A 77 -8.409 -18.167 -8.167 1.00 63.42 H new ATOM 0 HD2 PHE A 77 -5.829 -14.928 -7.162 1.00 23.15 H new ATOM 0 HE1 PHE A 77 -6.612 -19.760 -7.657 1.00 55.41 H new ATOM 0 HE2 PHE A 77 -4.033 -16.521 -6.652 1.00 24.43 H new ATOM 0 HZ PHE A 77 -4.420 -18.939 -6.893 1.00 34.14 H new ATOM 1253 N GLU A 78 -9.104 -14.397 -4.788 1.00 23.13 N ATOM 1254 CA GLU A 78 -8.928 -13.309 -3.820 1.00 51.25 C ATOM 1255 C GLU A 78 -7.458 -12.880 -3.708 1.00 31.05 C ATOM 1256 O GLU A 78 -6.619 -13.609 -3.173 1.00 33.52 O ATOM 1257 CB GLU A 78 -9.446 -13.723 -2.433 1.00 3.51 C ATOM 1258 CG GLU A 78 -9.239 -12.655 -1.357 1.00 24.15 C ATOM 1259 CD GLU A 78 -9.749 -13.078 0.012 1.00 74.02 C ATOM 1260 OE1 GLU A 78 -9.184 -14.024 0.598 1.00 51.22 O ATOM 1261 OE2 GLU A 78 -10.719 -12.467 0.512 1.00 52.32 O ATOM 0 H GLU A 78 -9.054 -15.331 -4.382 1.00 23.13 H new ATOM 0 HA GLU A 78 -9.508 -12.461 -4.185 1.00 51.25 H new ATOM 0 HB2 GLU A 78 -10.509 -13.953 -2.505 1.00 3.51 H new ATOM 0 HB3 GLU A 78 -8.942 -14.639 -2.125 1.00 3.51 H new ATOM 0 HG2 GLU A 78 -8.177 -12.421 -1.286 1.00 24.15 H new ATOM 0 HG3 GLU A 78 -9.747 -11.740 -1.660 1.00 24.15 H new ATOM 1268 N LEU A 79 -7.147 -11.702 -4.231 1.00 15.15 N ATOM 1269 CA LEU A 79 -5.816 -11.116 -4.066 1.00 73.34 C ATOM 1270 C LEU A 79 -5.761 -10.278 -2.777 1.00 43.54 C ATOM 1271 O LEU A 79 -6.136 -9.103 -2.775 1.00 34.11 O ATOM 1272 CB LEU A 79 -5.468 -10.240 -5.281 1.00 5.33 C ATOM 1273 CG LEU A 79 -5.621 -10.914 -6.657 1.00 54.24 C ATOM 1274 CD1 LEU A 79 -5.231 -9.952 -7.775 1.00 3.13 C ATOM 1275 CD2 LEU A 79 -4.795 -12.195 -6.735 1.00 54.32 C ATOM 0 H LEU A 79 -7.795 -11.131 -4.773 1.00 15.15 H new ATOM 0 HA LEU A 79 -5.086 -11.922 -3.993 1.00 73.34 H new ATOM 0 HB2 LEU A 79 -6.101 -9.353 -5.259 1.00 5.33 H new ATOM 0 HB3 LEU A 79 -4.438 -9.899 -5.177 1.00 5.33 H new ATOM 0 HG LEU A 79 -6.670 -11.182 -6.785 1.00 54.24 H new ATOM 0 HD11 LEU A 79 -5.346 -10.448 -8.739 1.00 3.13 H new ATOM 0 HD12 LEU A 79 -5.875 -9.073 -7.740 1.00 3.13 H new ATOM 0 HD13 LEU A 79 -4.193 -9.646 -7.646 1.00 3.13 H new ATOM 0 HD21 LEU A 79 -4.922 -12.650 -7.717 1.00 54.32 H new ATOM 0 HD22 LEU A 79 -3.743 -11.959 -6.577 1.00 54.32 H new ATOM 0 HD23 LEU A 79 -5.130 -12.891 -5.966 1.00 54.32 H new ATOM 1287 N VAL A 80 -5.323 -10.891 -1.676 1.00 63.30 N ATOM 1288 CA VAL A 80 -5.297 -10.210 -0.373 1.00 45.23 C ATOM 1289 C VAL A 80 -3.972 -9.457 -0.143 1.00 34.23 C ATOM 1290 O VAL A 80 -2.895 -9.946 -0.490 1.00 2.30 O ATOM 1291 CB VAL A 80 -5.550 -11.209 0.792 1.00 1.25 C ATOM 1292 CG1 VAL A 80 -4.469 -12.288 0.849 1.00 22.35 C ATOM 1293 CG2 VAL A 80 -5.661 -10.476 2.129 1.00 31.15 C ATOM 0 H VAL A 80 -4.982 -11.852 -1.656 1.00 63.30 H new ATOM 0 HA VAL A 80 -6.104 -9.477 -0.387 1.00 45.23 H new ATOM 0 HB VAL A 80 -6.501 -11.705 0.598 1.00 1.25 H new ATOM 0 HG11 VAL A 80 -4.677 -12.969 1.675 1.00 22.35 H new ATOM 0 HG12 VAL A 80 -4.462 -12.845 -0.088 1.00 22.35 H new ATOM 0 HG13 VAL A 80 -3.496 -11.821 1.001 1.00 22.35 H new ATOM 0 HG21 VAL A 80 -5.838 -11.198 2.926 1.00 31.15 H new ATOM 0 HG22 VAL A 80 -4.734 -9.937 2.326 1.00 31.15 H new ATOM 0 HG23 VAL A 80 -6.490 -9.770 2.089 1.00 31.15 H new ATOM 1303 N TYR A 81 -4.065 -8.263 0.442 1.00 61.43 N ATOM 1304 CA TYR A 81 -2.892 -7.418 0.702 1.00 60.11 C ATOM 1305 C TYR A 81 -3.014 -6.722 2.072 1.00 55.04 C ATOM 1306 O TYR A 81 -4.007 -6.059 2.353 1.00 43.43 O ATOM 1307 CB TYR A 81 -2.750 -6.364 -0.415 1.00 64.20 C ATOM 1308 CG TYR A 81 -1.393 -5.668 -0.490 1.00 65.41 C ATOM 1309 CD1 TYR A 81 -0.354 -5.990 0.381 1.00 22.24 C ATOM 1310 CD2 TYR A 81 -1.151 -4.691 -1.454 1.00 34.32 C ATOM 1311 CE1 TYR A 81 0.875 -5.364 0.296 1.00 10.34 C ATOM 1312 CE2 TYR A 81 0.077 -4.064 -1.546 1.00 0.33 C ATOM 1313 CZ TYR A 81 1.086 -4.402 -0.669 1.00 54.23 C ATOM 1314 OH TYR A 81 2.311 -3.781 -0.763 1.00 4.33 O ATOM 0 H TYR A 81 -4.947 -7.853 0.748 1.00 61.43 H new ATOM 0 HA TYR A 81 -2.004 -8.050 0.716 1.00 60.11 H new ATOM 0 HB2 TYR A 81 -2.946 -6.846 -1.373 1.00 64.20 H new ATOM 0 HB3 TYR A 81 -3.521 -5.606 -0.276 1.00 64.20 H new ATOM 0 HD1 TYR A 81 -0.512 -6.744 1.138 1.00 22.24 H new ATOM 0 HD2 TYR A 81 -1.938 -4.419 -2.142 1.00 34.32 H new ATOM 0 HE1 TYR A 81 1.666 -5.627 0.982 1.00 10.34 H new ATOM 0 HE2 TYR A 81 0.246 -3.312 -2.302 1.00 0.33 H new ATOM 0 HH TYR A 81 2.293 -3.130 -1.496 1.00 4.33 H new ATOM 1324 N ARG A 82 -2.001 -6.882 2.918 1.00 25.31 N ATOM 1325 CA ARG A 82 -1.972 -6.247 4.241 1.00 11.44 C ATOM 1326 C ARG A 82 -0.668 -5.463 4.450 1.00 61.42 C ATOM 1327 O ARG A 82 0.417 -6.048 4.526 1.00 22.15 O ATOM 1328 CB ARG A 82 -2.133 -7.308 5.342 1.00 74.40 C ATOM 1329 CG ARG A 82 -3.485 -8.019 5.320 1.00 32.44 C ATOM 1330 CD ARG A 82 -3.562 -9.131 6.361 1.00 32.53 C ATOM 1331 NE ARG A 82 -3.343 -8.638 7.724 1.00 41.14 N ATOM 1332 CZ ARG A 82 -2.959 -9.388 8.722 1.00 3.12 C ATOM 1333 NH1 ARG A 82 -2.754 -10.654 8.552 1.00 43.42 N ATOM 1334 NH2 ARG A 82 -2.784 -8.873 9.895 1.00 33.24 N ATOM 0 H ARG A 82 -1.180 -7.451 2.712 1.00 25.31 H new ATOM 0 HA ARG A 82 -2.803 -5.544 4.297 1.00 11.44 H new ATOM 0 HB2 ARG A 82 -1.341 -8.050 5.237 1.00 74.40 H new ATOM 0 HB3 ARG A 82 -1.999 -6.833 6.314 1.00 74.40 H new ATOM 0 HG2 ARG A 82 -4.279 -7.295 5.504 1.00 32.44 H new ATOM 0 HG3 ARG A 82 -3.659 -8.438 4.329 1.00 32.44 H new ATOM 0 HD2 ARG A 82 -4.539 -9.611 6.304 1.00 32.53 H new ATOM 0 HD3 ARG A 82 -2.818 -9.893 6.130 1.00 32.53 H new ATOM 0 HE ARG A 82 -3.500 -7.647 7.904 1.00 41.14 H new ATOM 0 HH11 ARG A 82 -2.892 -11.074 7.633 1.00 43.42 H new ATOM 0 HH12 ARG A 82 -2.454 -11.232 9.337 1.00 43.42 H new ATOM 0 HH21 ARG A 82 -2.946 -7.877 10.044 1.00 33.24 H new ATOM 0 HH22 ARG A 82 -2.484 -9.463 10.671 1.00 33.24 H new ATOM 1348 N VAL A 83 -0.779 -4.139 4.524 1.00 21.45 N ATOM 1349 CA VAL A 83 0.385 -3.271 4.737 1.00 75.42 C ATOM 1350 C VAL A 83 0.455 -2.792 6.195 1.00 72.01 C ATOM 1351 O VAL A 83 -0.417 -2.057 6.659 1.00 22.33 O ATOM 1352 CB VAL A 83 0.351 -2.038 3.796 1.00 33.31 C ATOM 1353 CG1 VAL A 83 1.603 -1.183 3.973 1.00 73.30 C ATOM 1354 CG2 VAL A 83 0.190 -2.469 2.339 1.00 22.33 C ATOM 0 H VAL A 83 -1.664 -3.639 4.440 1.00 21.45 H new ATOM 0 HA VAL A 83 1.271 -3.864 4.510 1.00 75.42 H new ATOM 0 HB VAL A 83 -0.513 -1.432 4.067 1.00 33.31 H new ATOM 0 HG11 VAL A 83 1.555 -0.325 3.303 1.00 73.30 H new ATOM 0 HG12 VAL A 83 1.663 -0.835 5.004 1.00 73.30 H new ATOM 0 HG13 VAL A 83 2.486 -1.778 3.739 1.00 73.30 H new ATOM 0 HG21 VAL A 83 0.169 -1.587 1.699 1.00 22.33 H new ATOM 0 HG22 VAL A 83 1.028 -3.105 2.053 1.00 22.33 H new ATOM 0 HG23 VAL A 83 -0.742 -3.023 2.224 1.00 22.33 H new ATOM 1364 N ALA A 84 1.487 -3.224 6.917 1.00 50.55 N ATOM 1365 CA ALA A 84 1.682 -2.819 8.314 1.00 13.04 C ATOM 1366 C ALA A 84 2.755 -1.724 8.437 1.00 63.43 C ATOM 1367 O ALA A 84 3.866 -1.875 7.925 1.00 32.44 O ATOM 1368 CB ALA A 84 2.059 -4.030 9.160 1.00 31.20 C ATOM 0 H ALA A 84 2.204 -3.856 6.560 1.00 50.55 H new ATOM 0 HA ALA A 84 0.743 -2.405 8.681 1.00 13.04 H new ATOM 0 HB1 ALA A 84 2.202 -3.720 10.195 1.00 31.20 H new ATOM 0 HB2 ALA A 84 1.262 -4.771 9.110 1.00 31.20 H new ATOM 0 HB3 ALA A 84 2.984 -4.465 8.781 1.00 31.20 H new ATOM 1374 N ALA A 85 2.420 -0.628 9.124 1.00 42.23 N ATOM 1375 CA ALA A 85 3.347 0.496 9.310 1.00 11.44 C ATOM 1376 C ALA A 85 2.981 1.326 10.552 1.00 33.15 C ATOM 1377 O ALA A 85 1.889 1.184 11.095 1.00 4.21 O ATOM 1378 CB ALA A 85 3.350 1.383 8.068 1.00 61.35 C ATOM 0 H ALA A 85 1.509 -0.494 9.563 1.00 42.23 H new ATOM 0 HA ALA A 85 4.346 0.087 9.463 1.00 11.44 H new ATOM 0 HB1 ALA A 85 4.040 2.214 8.216 1.00 61.35 H new ATOM 0 HB2 ALA A 85 3.665 0.798 7.204 1.00 61.35 H new ATOM 0 HB3 ALA A 85 2.346 1.772 7.896 1.00 61.35 H new ATOM 1384 N ARG A 86 3.899 2.187 10.998 1.00 32.24 N ATOM 1385 CA ARG A 86 3.647 3.081 12.140 1.00 63.13 C ATOM 1386 C ARG A 86 4.007 4.540 11.811 1.00 11.24 C ATOM 1387 O ARG A 86 4.900 4.810 11.003 1.00 3.44 O ATOM 1388 CB ARG A 86 4.436 2.631 13.376 1.00 74.55 C ATOM 1389 CG ARG A 86 4.007 1.278 13.931 1.00 74.25 C ATOM 1390 CD ARG A 86 4.702 0.962 15.251 1.00 54.41 C ATOM 1391 NE ARG A 86 4.322 -0.350 15.765 1.00 21.42 N ATOM 1392 CZ ARG A 86 4.446 -0.721 17.009 1.00 34.12 C ATOM 1393 NH1 ARG A 86 4.846 0.112 17.912 1.00 52.12 N ATOM 1394 NH2 ARG A 86 4.132 -1.926 17.353 1.00 61.22 N ATOM 0 H ARG A 86 4.827 2.287 10.587 1.00 32.24 H new ATOM 0 HA ARG A 86 2.580 3.026 12.353 1.00 63.13 H new ATOM 0 HB2 ARG A 86 5.495 2.588 13.122 1.00 74.55 H new ATOM 0 HB3 ARG A 86 4.326 3.383 14.157 1.00 74.55 H new ATOM 0 HG2 ARG A 86 2.927 1.271 14.078 1.00 74.25 H new ATOM 0 HG3 ARG A 86 4.235 0.498 13.204 1.00 74.25 H new ATOM 0 HD2 ARG A 86 5.782 0.998 15.110 1.00 54.41 H new ATOM 0 HD3 ARG A 86 4.451 1.727 15.986 1.00 54.41 H new ATOM 0 HE ARG A 86 3.932 -1.023 15.105 1.00 21.42 H new ATOM 0 HH11 ARG A 86 5.069 1.074 17.656 1.00 52.12 H new ATOM 0 HH12 ARG A 86 4.938 -0.192 18.881 1.00 52.12 H new ATOM 0 HH21 ARG A 86 3.789 -2.583 16.653 1.00 61.22 H new ATOM 0 HH22 ARG A 86 4.228 -2.220 18.325 1.00 61.22 H new ATOM 1408 N LEU A 87 3.311 5.477 12.458 1.00 23.21 N ATOM 1409 CA LEU A 87 3.543 6.910 12.244 1.00 41.25 C ATOM 1410 C LEU A 87 4.281 7.526 13.444 1.00 42.43 C ATOM 1411 O LEU A 87 3.670 7.863 14.464 1.00 65.41 O ATOM 1412 CB LEU A 87 2.205 7.635 12.026 1.00 70.51 C ATOM 1413 CG LEU A 87 2.317 9.070 11.485 1.00 35.01 C ATOM 1414 CD1 LEU A 87 2.842 9.060 10.054 1.00 24.51 C ATOM 1415 CD2 LEU A 87 0.973 9.790 11.561 1.00 30.05 C ATOM 0 H LEU A 87 2.579 5.270 13.137 1.00 23.21 H new ATOM 0 HA LEU A 87 4.164 7.028 11.356 1.00 41.25 H new ATOM 0 HB2 LEU A 87 1.601 7.049 11.333 1.00 70.51 H new ATOM 0 HB3 LEU A 87 1.667 7.662 12.973 1.00 70.51 H new ATOM 0 HG LEU A 87 3.025 9.614 12.110 1.00 35.01 H new ATOM 0 HD11 LEU A 87 2.915 10.083 9.686 1.00 24.51 H new ATOM 0 HD12 LEU A 87 3.827 8.595 10.031 1.00 24.51 H new ATOM 0 HD13 LEU A 87 2.159 8.495 9.420 1.00 24.51 H new ATOM 0 HD21 LEU A 87 1.080 10.803 11.172 1.00 30.05 H new ATOM 0 HD22 LEU A 87 0.236 9.249 10.967 1.00 30.05 H new ATOM 0 HD23 LEU A 87 0.641 9.833 12.598 1.00 30.05 H new ATOM 1427 N LEU A 88 5.597 7.660 13.326 1.00 13.44 N ATOM 1428 CA LEU A 88 6.426 8.179 14.420 1.00 61.24 C ATOM 1429 C LEU A 88 6.714 9.678 14.251 1.00 1.04 C ATOM 1430 O LEU A 88 6.393 10.278 13.225 1.00 2.04 O ATOM 1431 CB LEU A 88 7.749 7.399 14.520 1.00 4.13 C ATOM 1432 CG LEU A 88 7.616 5.887 14.801 1.00 53.42 C ATOM 1433 CD1 LEU A 88 7.143 5.132 13.562 1.00 54.21 C ATOM 1434 CD2 LEU A 88 8.936 5.315 15.311 1.00 72.45 C ATOM 0 H LEU A 88 6.119 7.417 12.484 1.00 13.44 H new ATOM 0 HA LEU A 88 5.863 8.044 15.343 1.00 61.24 H new ATOM 0 HB2 LEU A 88 8.298 7.529 13.587 1.00 4.13 H new ATOM 0 HB3 LEU A 88 8.353 7.845 15.310 1.00 4.13 H new ATOM 0 HG LEU A 88 6.862 5.758 15.577 1.00 53.42 H new ATOM 0 HD11 LEU A 88 7.059 4.070 13.793 1.00 54.21 H new ATOM 0 HD12 LEU A 88 6.170 5.514 13.253 1.00 54.21 H new ATOM 0 HD13 LEU A 88 7.861 5.272 12.754 1.00 54.21 H new ATOM 0 HD21 LEU A 88 8.820 4.248 15.503 1.00 72.45 H new ATOM 0 HD22 LEU A 88 9.712 5.467 14.561 1.00 72.45 H new ATOM 0 HD23 LEU A 88 9.219 5.821 16.234 1.00 72.45 H new ATOM 1446 N ASP A 89 7.316 10.277 15.272 1.00 42.54 N ATOM 1447 CA ASP A 89 7.660 11.699 15.249 1.00 33.52 C ATOM 1448 C ASP A 89 9.173 11.904 15.060 1.00 61.22 C ATOM 1449 O ASP A 89 9.920 10.948 14.855 1.00 11.13 O ATOM 1450 CB ASP A 89 7.204 12.346 16.558 1.00 51.14 C ATOM 1451 CG ASP A 89 7.992 11.835 17.748 1.00 3.34 C ATOM 1452 OD1 ASP A 89 7.879 10.634 18.070 1.00 35.13 O ATOM 1453 OD2 ASP A 89 8.740 12.630 18.352 1.00 12.03 O ATOM 0 H ASP A 89 7.579 9.798 16.133 1.00 42.54 H new ATOM 0 HA ASP A 89 7.153 12.167 14.406 1.00 33.52 H new ATOM 0 HB2 ASP A 89 7.316 13.428 16.486 1.00 51.14 H new ATOM 0 HB3 ASP A 89 6.144 12.145 16.712 1.00 51.14 H new ATOM 1458 N ALA A 90 9.614 13.156 15.166 1.00 52.15 N ATOM 1459 CA ALA A 90 11.029 13.512 15.003 1.00 54.23 C ATOM 1460 C ALA A 90 11.950 12.734 15.961 1.00 14.15 C ATOM 1461 O ALA A 90 13.131 12.529 15.676 1.00 4.02 O ATOM 1462 CB ALA A 90 11.204 15.010 15.220 1.00 22.20 C ATOM 0 H ALA A 90 9.007 13.951 15.366 1.00 52.15 H new ATOM 0 HA ALA A 90 11.320 13.239 13.988 1.00 54.23 H new ATOM 0 HB1 ALA A 90 12.254 15.275 15.099 1.00 22.20 H new ATOM 0 HB2 ALA A 90 10.606 15.556 14.490 1.00 22.20 H new ATOM 0 HB3 ALA A 90 10.877 15.273 16.226 1.00 22.20 H new ATOM 1468 N HIS A 91 11.402 12.304 17.098 1.00 61.33 N ATOM 1469 CA HIS A 91 12.189 11.632 18.142 1.00 60.13 C ATOM 1470 C HIS A 91 12.016 10.102 18.102 1.00 55.10 C ATOM 1471 O HIS A 91 12.436 9.404 19.027 1.00 75.14 O ATOM 1472 CB HIS A 91 11.773 12.171 19.516 1.00 45.10 C ATOM 1473 CG HIS A 91 11.770 13.669 19.582 1.00 53.10 C ATOM 1474 ND1 HIS A 91 10.631 14.426 19.405 1.00 25.33 N ATOM 1475 CD2 HIS A 91 12.775 14.555 19.785 1.00 34.33 C ATOM 1476 CE1 HIS A 91 10.932 15.706 19.493 1.00 33.32 C ATOM 1477 NE2 HIS A 91 12.223 15.811 19.724 1.00 61.13 N ATOM 0 H HIS A 91 10.413 12.408 17.323 1.00 61.33 H new ATOM 0 HA HIS A 91 13.242 11.844 17.959 1.00 60.13 H new ATOM 0 HB2 HIS A 91 10.777 11.800 19.759 1.00 45.10 H new ATOM 0 HB3 HIS A 91 12.452 11.781 20.274 1.00 45.10 H new ATOM 0 HD1 HIS A 91 9.698 14.052 19.232 1.00 25.33 H new ATOM 0 HD2 HIS A 91 13.814 14.318 19.961 1.00 34.33 H new ATOM 0 HE1 HIS A 91 10.238 16.528 19.393 1.00 33.32 H new ATOM 1486 N ASN A 92 11.396 9.590 17.030 1.00 33.33 N ATOM 1487 CA ASN A 92 11.171 8.141 16.861 1.00 61.30 C ATOM 1488 C ASN A 92 10.332 7.545 18.013 1.00 12.53 C ATOM 1489 O ASN A 92 10.273 6.327 18.182 1.00 72.30 O ATOM 1490 CB ASN A 92 12.516 7.401 16.760 1.00 74.41 C ATOM 1491 CG ASN A 92 13.361 7.874 15.591 1.00 62.15 C ATOM 1492 OD1 ASN A 92 14.103 8.845 15.695 1.00 10.51 O ATOM 1493 ND2 ASN A 92 13.280 7.177 14.473 1.00 43.53 N ATOM 0 H ASN A 92 11.039 10.158 16.262 1.00 33.33 H new ATOM 0 HA ASN A 92 10.609 8.007 15.937 1.00 61.30 H new ATOM 0 HB2 ASN A 92 13.074 7.542 17.686 1.00 74.41 H new ATOM 0 HB3 ASN A 92 12.331 6.332 16.659 1.00 74.41 H new ATOM 0 HD21 ASN A 92 13.844 7.441 13.665 1.00 43.53 H new ATOM 0 HD22 ASN A 92 12.654 6.374 14.417 1.00 43.53 H new ATOM 1500 N ALA A 93 9.650 8.402 18.770 1.00 12.52 N ATOM 1501 CA ALA A 93 8.920 7.978 19.972 1.00 51.15 C ATOM 1502 C ALA A 93 7.442 7.673 19.680 1.00 43.15 C ATOM 1503 O ALA A 93 6.620 7.625 20.599 1.00 72.41 O ATOM 1504 CB ALA A 93 9.041 9.058 21.042 1.00 61.11 C ATOM 0 H ALA A 93 9.585 9.401 18.574 1.00 12.52 H new ATOM 0 HA ALA A 93 9.368 7.050 20.328 1.00 51.15 H new ATOM 0 HB1 ALA A 93 8.500 8.747 21.936 1.00 61.11 H new ATOM 0 HB2 ALA A 93 10.092 9.210 21.288 1.00 61.11 H new ATOM 0 HB3 ALA A 93 8.617 9.990 20.668 1.00 61.11 H new ATOM 1510 N GLU A 94 7.119 7.458 18.401 1.00 10.25 N ATOM 1511 CA GLU A 94 5.748 7.135 17.966 1.00 60.44 C ATOM 1512 C GLU A 94 4.777 8.311 18.197 1.00 52.12 C ATOM 1513 O GLU A 94 4.528 8.723 19.333 1.00 23.32 O ATOM 1514 CB GLU A 94 5.242 5.864 18.667 1.00 31.45 C ATOM 1515 CG GLU A 94 6.098 4.629 18.378 1.00 44.40 C ATOM 1516 CD GLU A 94 5.644 3.398 19.147 1.00 64.31 C ATOM 1517 OE1 GLU A 94 4.694 2.724 18.696 1.00 1.11 O ATOM 1518 OE2 GLU A 94 6.246 3.091 20.198 1.00 22.23 O ATOM 0 H GLU A 94 7.794 7.502 17.638 1.00 10.25 H new ATOM 0 HA GLU A 94 5.782 6.951 16.892 1.00 60.44 H new ATOM 0 HB2 GLU A 94 5.218 6.037 19.743 1.00 31.45 H new ATOM 0 HB3 GLU A 94 4.217 5.668 18.353 1.00 31.45 H new ATOM 0 HG2 GLU A 94 6.068 4.415 17.310 1.00 44.40 H new ATOM 0 HG3 GLU A 94 7.136 4.846 18.630 1.00 44.40 H new ATOM 1525 N LEU A 95 4.221 8.841 17.108 1.00 23.41 N ATOM 1526 CA LEU A 95 3.348 10.018 17.177 1.00 23.15 C ATOM 1527 C LEU A 95 1.866 9.601 17.225 1.00 41.10 C ATOM 1528 O LEU A 95 1.206 9.739 18.256 1.00 23.04 O ATOM 1529 CB LEU A 95 3.625 10.943 15.968 1.00 41.53 C ATOM 1530 CG LEU A 95 3.087 12.395 16.055 1.00 53.32 C ATOM 1531 CD1 LEU A 95 1.563 12.452 15.923 1.00 54.25 C ATOM 1532 CD2 LEU A 95 3.539 13.062 17.355 1.00 33.31 C ATOM 0 H LEU A 95 4.358 8.475 16.166 1.00 23.41 H new ATOM 0 HA LEU A 95 3.564 10.565 18.095 1.00 23.15 H new ATOM 0 HB2 LEU A 95 4.704 10.990 15.817 1.00 41.53 H new ATOM 0 HB3 LEU A 95 3.199 10.476 15.080 1.00 41.53 H new ATOM 0 HG LEU A 95 3.507 12.946 15.213 1.00 53.32 H new ATOM 0 HD11 LEU A 95 1.231 13.488 15.990 1.00 54.25 H new ATOM 0 HD12 LEU A 95 1.265 12.037 14.960 1.00 54.25 H new ATOM 0 HD13 LEU A 95 1.106 11.872 16.725 1.00 54.25 H new ATOM 0 HD21 LEU A 95 3.151 14.080 17.396 1.00 33.31 H new ATOM 0 HD22 LEU A 95 3.161 12.495 18.206 1.00 33.31 H new ATOM 0 HD23 LEU A 95 4.628 13.087 17.391 1.00 33.31 H new ATOM 1544 N ALA A 96 1.353 9.073 16.111 1.00 75.50 N ATOM 1545 CA ALA A 96 -0.073 8.731 15.999 1.00 73.43 C ATOM 1546 C ALA A 96 -0.297 7.250 15.655 1.00 1.11 C ATOM 1547 O ALA A 96 0.634 6.521 15.308 1.00 12.22 O ATOM 1548 CB ALA A 96 -0.750 9.624 14.964 1.00 63.32 C ATOM 0 H ALA A 96 1.900 8.872 15.274 1.00 75.50 H new ATOM 0 HA ALA A 96 -0.523 8.903 16.977 1.00 73.43 H new ATOM 0 HB1 ALA A 96 -1.805 9.361 14.891 1.00 63.32 H new ATOM 0 HB2 ALA A 96 -0.656 10.667 15.266 1.00 63.32 H new ATOM 0 HB3 ALA A 96 -0.273 9.483 13.994 1.00 63.32 H new ATOM 1554 N SER A 97 -1.552 6.818 15.745 1.00 34.42 N ATOM 1555 CA SER A 97 -1.918 5.417 15.509 1.00 30.22 C ATOM 1556 C SER A 97 -2.070 5.098 14.016 1.00 61.13 C ATOM 1557 O SER A 97 -3.156 5.220 13.449 1.00 43.00 O ATOM 1558 CB SER A 97 -3.224 5.079 16.245 1.00 53.11 C ATOM 1559 OG SER A 97 -3.631 3.739 16.003 1.00 70.22 O ATOM 0 H SER A 97 -2.341 7.420 15.981 1.00 34.42 H new ATOM 0 HA SER A 97 -1.104 4.804 15.897 1.00 30.22 H new ATOM 0 HB2 SER A 97 -3.088 5.230 17.316 1.00 53.11 H new ATOM 0 HB3 SER A 97 -4.010 5.762 15.924 1.00 53.11 H new ATOM 0 HG SER A 97 -4.464 3.557 16.487 1.00 70.22 H new ATOM 1565 N LEU A 98 -0.968 4.718 13.375 1.00 55.20 N ATOM 1566 CA LEU A 98 -1.012 4.210 11.999 1.00 62.55 C ATOM 1567 C LEU A 98 -1.229 2.686 12.021 1.00 11.11 C ATOM 1568 O LEU A 98 -0.377 1.935 12.498 1.00 53.30 O ATOM 1569 CB LEU A 98 0.291 4.559 11.255 1.00 1.34 C ATOM 1570 CG LEU A 98 0.314 4.209 9.755 1.00 50.43 C ATOM 1571 CD1 LEU A 98 -0.792 4.947 9.008 1.00 63.13 C ATOM 1572 CD2 LEU A 98 1.677 4.532 9.149 1.00 64.51 C ATOM 0 H LEU A 98 -0.033 4.751 13.782 1.00 55.20 H new ATOM 0 HA LEU A 98 -1.841 4.681 11.470 1.00 62.55 H new ATOM 0 HB2 LEU A 98 0.475 5.628 11.363 1.00 1.34 H new ATOM 0 HB3 LEU A 98 1.117 4.042 11.743 1.00 1.34 H new ATOM 0 HG LEU A 98 0.137 3.138 9.654 1.00 50.43 H new ATOM 0 HD11 LEU A 98 -0.755 4.684 7.951 1.00 63.13 H new ATOM 0 HD12 LEU A 98 -1.761 4.663 9.419 1.00 63.13 H new ATOM 0 HD13 LEU A 98 -0.651 6.022 9.119 1.00 63.13 H new ATOM 0 HD21 LEU A 98 1.673 4.278 8.089 1.00 64.51 H new ATOM 0 HD22 LEU A 98 1.885 5.596 9.266 1.00 64.51 H new ATOM 0 HD23 LEU A 98 2.448 3.954 9.658 1.00 64.51 H new ATOM 1584 N GLN A 99 -2.385 2.234 11.537 1.00 31.02 N ATOM 1585 CA GLN A 99 -2.745 0.810 11.616 1.00 14.30 C ATOM 1586 C GLN A 99 -2.592 0.094 10.268 1.00 2.54 C ATOM 1587 O GLN A 99 -2.539 0.729 9.211 1.00 40.10 O ATOM 1588 CB GLN A 99 -4.182 0.656 12.136 1.00 12.01 C ATOM 1589 CG GLN A 99 -4.378 1.203 13.545 1.00 13.44 C ATOM 1590 CD GLN A 99 -5.782 0.974 14.076 1.00 73.52 C ATOM 1591 OE1 GLN A 99 -6.668 1.807 13.909 1.00 63.25 O ATOM 1592 NE2 GLN A 99 -5.996 -0.155 14.719 1.00 33.14 N ATOM 0 H GLN A 99 -3.086 2.824 11.089 1.00 31.02 H new ATOM 0 HA GLN A 99 -2.051 0.339 12.313 1.00 14.30 H new ATOM 0 HB2 GLN A 99 -4.863 1.169 11.457 1.00 12.01 H new ATOM 0 HB3 GLN A 99 -4.454 -0.399 12.123 1.00 12.01 H new ATOM 0 HG2 GLN A 99 -3.660 0.732 14.216 1.00 13.44 H new ATOM 0 HG3 GLN A 99 -4.163 2.272 13.548 1.00 13.44 H new ATOM 0 HE21 GLN A 99 -5.237 -0.825 14.840 1.00 33.14 H new ATOM 0 HE22 GLN A 99 -6.921 -0.359 15.096 1.00 33.14 H new ATOM 1601 N GLU A 100 -2.524 -1.238 10.321 1.00 44.12 N ATOM 1602 CA GLU A 100 -2.379 -2.057 9.115 1.00 13.44 C ATOM 1603 C GLU A 100 -3.604 -1.936 8.196 1.00 25.23 C ATOM 1604 O GLU A 100 -4.743 -1.821 8.660 1.00 65.42 O ATOM 1605 CB GLU A 100 -2.148 -3.533 9.478 1.00 20.54 C ATOM 1606 CG GLU A 100 -3.304 -4.175 10.242 1.00 60.23 C ATOM 1607 CD GLU A 100 -3.216 -5.694 10.277 1.00 20.34 C ATOM 1608 OE1 GLU A 100 -2.574 -6.248 11.195 1.00 52.33 O ATOM 1609 OE2 GLU A 100 -3.793 -6.347 9.383 1.00 52.34 O ATOM 0 H GLU A 100 -2.567 -1.774 11.188 1.00 44.12 H new ATOM 0 HA GLU A 100 -1.509 -1.681 8.577 1.00 13.44 H new ATOM 0 HB2 GLU A 100 -1.973 -4.098 8.563 1.00 20.54 H new ATOM 0 HB3 GLU A 100 -1.242 -3.611 10.079 1.00 20.54 H new ATOM 0 HG2 GLU A 100 -3.316 -3.793 11.263 1.00 60.23 H new ATOM 0 HG3 GLU A 100 -4.247 -3.881 9.780 1.00 60.23 H new ATOM 1616 N ILE A 101 -3.359 -1.970 6.891 1.00 75.50 N ATOM 1617 CA ILE A 101 -4.421 -1.828 5.891 1.00 31.30 C ATOM 1618 C ILE A 101 -4.633 -3.138 5.116 1.00 40.01 C ATOM 1619 O ILE A 101 -3.744 -3.589 4.394 1.00 50.52 O ATOM 1620 CB ILE A 101 -4.076 -0.693 4.895 1.00 61.11 C ATOM 1621 CG1 ILE A 101 -3.735 0.597 5.663 1.00 53.42 C ATOM 1622 CG2 ILE A 101 -5.234 -0.458 3.920 1.00 62.43 C ATOM 1623 CD1 ILE A 101 -3.184 1.704 4.790 1.00 3.14 C ATOM 0 H ILE A 101 -2.428 -2.096 6.494 1.00 75.50 H new ATOM 0 HA ILE A 101 -5.342 -1.582 6.420 1.00 31.30 H new ATOM 0 HB ILE A 101 -3.204 -0.991 4.313 1.00 61.11 H new ATOM 0 HG12 ILE A 101 -4.633 0.957 6.165 1.00 53.42 H new ATOM 0 HG13 ILE A 101 -3.007 0.364 6.440 1.00 53.42 H new ATOM 0 HG21 ILE A 101 -4.971 0.343 3.229 1.00 62.43 H new ATOM 0 HG22 ILE A 101 -5.428 -1.372 3.359 1.00 62.43 H new ATOM 0 HG23 ILE A 101 -6.128 -0.178 4.477 1.00 62.43 H new ATOM 0 HD11 ILE A 101 -2.969 2.578 5.404 1.00 3.14 H new ATOM 0 HD12 ILE A 101 -2.267 1.365 4.307 1.00 3.14 H new ATOM 0 HD13 ILE A 101 -3.919 1.967 4.029 1.00 3.14 H new ATOM 1635 N ARG A 102 -5.809 -3.748 5.278 1.00 74.20 N ATOM 1636 CA ARG A 102 -6.145 -4.980 4.549 1.00 62.13 C ATOM 1637 C ARG A 102 -7.024 -4.677 3.326 1.00 23.42 C ATOM 1638 O ARG A 102 -8.066 -4.022 3.429 1.00 61.35 O ATOM 1639 CB ARG A 102 -6.836 -6.014 5.462 1.00 15.34 C ATOM 1640 CG ARG A 102 -8.184 -5.582 6.044 1.00 71.31 C ATOM 1641 CD ARG A 102 -8.028 -4.646 7.236 1.00 32.30 C ATOM 1642 NE ARG A 102 -7.263 -5.264 8.319 1.00 42.32 N ATOM 1643 CZ ARG A 102 -7.108 -4.733 9.499 1.00 62.35 C ATOM 1644 NH1 ARG A 102 -7.643 -3.586 9.778 1.00 32.41 N ATOM 1645 NH2 ARG A 102 -6.415 -5.350 10.397 1.00 2.23 N ATOM 0 H ARG A 102 -6.543 -3.414 5.903 1.00 74.20 H new ATOM 0 HA ARG A 102 -5.206 -5.413 4.203 1.00 62.13 H new ATOM 0 HB2 ARG A 102 -6.983 -6.933 4.895 1.00 15.34 H new ATOM 0 HB3 ARG A 102 -6.164 -6.252 6.286 1.00 15.34 H new ATOM 0 HG2 ARG A 102 -8.769 -5.086 5.270 1.00 71.31 H new ATOM 0 HG3 ARG A 102 -8.745 -6.465 6.350 1.00 71.31 H new ATOM 0 HD2 ARG A 102 -7.530 -3.731 6.916 1.00 32.30 H new ATOM 0 HD3 ARG A 102 -9.013 -4.360 7.605 1.00 32.30 H new ATOM 0 HE ARG A 102 -6.824 -6.167 8.139 1.00 42.32 H new ATOM 0 HH11 ARG A 102 -8.190 -3.093 9.072 1.00 32.41 H new ATOM 0 HH12 ARG A 102 -7.518 -3.176 10.704 1.00 32.41 H new ATOM 0 HH21 ARG A 102 -5.990 -6.252 10.182 1.00 2.23 H new ATOM 0 HH22 ARG A 102 -6.293 -4.935 11.321 1.00 2.23 H new ATOM 1659 N LEU A 103 -6.584 -5.155 2.168 1.00 64.22 N ATOM 1660 CA LEU A 103 -7.287 -4.948 0.898 1.00 21.20 C ATOM 1661 C LEU A 103 -7.428 -6.275 0.140 1.00 64.13 C ATOM 1662 O LEU A 103 -6.587 -7.164 0.272 1.00 71.21 O ATOM 1663 CB LEU A 103 -6.510 -3.944 0.031 1.00 34.04 C ATOM 1664 CG LEU A 103 -6.277 -2.560 0.661 1.00 34.13 C ATOM 1665 CD1 LEU A 103 -5.319 -1.735 -0.191 1.00 34.14 C ATOM 1666 CD2 LEU A 103 -7.600 -1.820 0.851 1.00 71.54 C ATOM 0 H LEU A 103 -5.726 -5.700 2.078 1.00 64.22 H new ATOM 0 HA LEU A 103 -8.281 -4.555 1.111 1.00 21.20 H new ATOM 0 HB2 LEU A 103 -5.541 -4.378 -0.216 1.00 34.04 H new ATOM 0 HB3 LEU A 103 -7.048 -3.810 -0.908 1.00 34.04 H new ATOM 0 HG LEU A 103 -5.825 -2.706 1.642 1.00 34.13 H new ATOM 0 HD11 LEU A 103 -5.168 -0.760 0.272 1.00 34.14 H new ATOM 0 HD12 LEU A 103 -4.363 -2.252 -0.268 1.00 34.14 H new ATOM 0 HD13 LEU A 103 -5.741 -1.602 -1.187 1.00 34.14 H new ATOM 0 HD21 LEU A 103 -7.410 -0.844 1.298 1.00 71.54 H new ATOM 0 HD22 LEU A 103 -8.085 -1.688 -0.116 1.00 71.54 H new ATOM 0 HD23 LEU A 103 -8.250 -2.399 1.507 1.00 71.54 H new ATOM 1678 N THR A 104 -8.491 -6.409 -0.644 1.00 42.03 N ATOM 1679 CA THR A 104 -8.702 -7.611 -1.464 1.00 34.43 C ATOM 1680 C THR A 104 -9.103 -7.235 -2.895 1.00 62.22 C ATOM 1681 O THR A 104 -9.917 -6.332 -3.112 1.00 63.40 O ATOM 1682 CB THR A 104 -9.785 -8.546 -0.865 1.00 12.33 C ATOM 1683 OG1 THR A 104 -11.046 -7.862 -0.779 1.00 73.45 O ATOM 1684 CG2 THR A 104 -9.379 -9.049 0.518 1.00 43.35 C ATOM 0 H THR A 104 -9.223 -5.705 -0.734 1.00 42.03 H new ATOM 0 HA THR A 104 -7.752 -8.146 -1.476 1.00 34.43 H new ATOM 0 HB THR A 104 -9.884 -9.405 -1.529 1.00 12.33 H new ATOM 0 HG1 THR A 104 -11.720 -8.465 -0.401 1.00 73.45 H new ATOM 0 HG21 THR A 104 -10.158 -9.702 0.911 1.00 43.35 H new ATOM 0 HG22 THR A 104 -8.444 -9.604 0.443 1.00 43.35 H new ATOM 0 HG23 THR A 104 -9.244 -8.200 1.189 1.00 43.35 H new ATOM 1692 N ARG A 105 -8.518 -7.913 -3.876 1.00 61.24 N ATOM 1693 CA ARG A 105 -8.822 -7.647 -5.285 1.00 24.44 C ATOM 1694 C ARG A 105 -9.344 -8.913 -5.986 1.00 44.42 C ATOM 1695 O ARG A 105 -8.763 -9.988 -5.851 1.00 64.52 O ATOM 1696 CB ARG A 105 -7.568 -7.124 -6.001 1.00 14.12 C ATOM 1697 CG ARG A 105 -7.853 -6.505 -7.364 1.00 44.11 C ATOM 1698 CD ARG A 105 -8.738 -5.271 -7.238 1.00 2.33 C ATOM 1699 NE ARG A 105 -9.072 -4.687 -8.531 1.00 33.21 N ATOM 1700 CZ ARG A 105 -9.836 -3.641 -8.681 1.00 62.14 C ATOM 1701 NH1 ARG A 105 -10.351 -3.049 -7.647 1.00 70.04 N ATOM 1702 NH2 ARG A 105 -10.090 -3.190 -9.865 1.00 13.42 N ATOM 0 H ARG A 105 -7.830 -8.651 -3.726 1.00 61.24 H new ATOM 0 HA ARG A 105 -9.604 -6.889 -5.330 1.00 24.44 H new ATOM 0 HB2 ARG A 105 -7.083 -6.380 -5.369 1.00 14.12 H new ATOM 0 HB3 ARG A 105 -6.862 -7.945 -6.125 1.00 14.12 H new ATOM 0 HG2 ARG A 105 -6.914 -6.234 -7.846 1.00 44.11 H new ATOM 0 HG3 ARG A 105 -8.340 -7.240 -8.005 1.00 44.11 H new ATOM 0 HD2 ARG A 105 -9.657 -5.539 -6.716 1.00 2.33 H new ATOM 0 HD3 ARG A 105 -8.230 -4.525 -6.627 1.00 2.33 H new ATOM 0 HE ARG A 105 -8.685 -5.122 -9.368 1.00 33.21 H new ATOM 0 HH11 ARG A 105 -10.159 -3.402 -6.709 1.00 70.04 H new ATOM 0 HH12 ARG A 105 -10.948 -2.231 -7.772 1.00 70.04 H new ATOM 0 HH21 ARG A 105 -9.693 -3.652 -10.683 1.00 13.42 H new ATOM 0 HH22 ARG A 105 -10.688 -2.372 -9.982 1.00 13.42 H new ATOM 1716 N ILE A 106 -10.437 -8.777 -6.736 1.00 42.02 N ATOM 1717 CA ILE A 106 -11.051 -9.920 -7.423 1.00 3.02 C ATOM 1718 C ILE A 106 -10.381 -10.208 -8.776 1.00 1.02 C ATOM 1719 O ILE A 106 -10.413 -9.381 -9.693 1.00 20.00 O ATOM 1720 CB ILE A 106 -12.571 -9.691 -7.648 1.00 12.14 C ATOM 1721 CG1 ILE A 106 -13.287 -9.464 -6.303 1.00 63.10 C ATOM 1722 CG2 ILE A 106 -13.198 -10.869 -8.401 1.00 3.54 C ATOM 1723 CD1 ILE A 106 -13.183 -10.634 -5.344 1.00 64.11 C ATOM 0 H ILE A 106 -10.917 -7.890 -6.885 1.00 42.02 H new ATOM 0 HA ILE A 106 -10.906 -10.782 -6.772 1.00 3.02 H new ATOM 0 HB ILE A 106 -12.692 -8.797 -8.260 1.00 12.14 H new ATOM 0 HG12 ILE A 106 -12.869 -8.578 -5.826 1.00 63.10 H new ATOM 0 HG13 ILE A 106 -14.340 -9.256 -6.494 1.00 63.10 H new ATOM 0 HG21 ILE A 106 -14.262 -10.683 -8.545 1.00 3.54 H new ATOM 0 HG22 ILE A 106 -12.714 -10.980 -9.371 1.00 3.54 H new ATOM 0 HG23 ILE A 106 -13.064 -11.783 -7.823 1.00 3.54 H new ATOM 0 HD11 ILE A 106 -13.712 -10.396 -4.421 1.00 64.11 H new ATOM 0 HD12 ILE A 106 -13.628 -11.519 -5.800 1.00 64.11 H new ATOM 0 HD13 ILE A 106 -12.134 -10.829 -5.121 1.00 64.11 H new ATOM 1735 N LEU A 107 -9.762 -11.380 -8.883 1.00 41.13 N ATOM 1736 CA LEU A 107 -9.184 -11.855 -10.144 1.00 62.22 C ATOM 1737 C LEU A 107 -10.102 -12.926 -10.763 1.00 62.53 C ATOM 1738 O LEU A 107 -10.253 -14.016 -10.207 1.00 5.32 O ATOM 1739 CB LEU A 107 -7.766 -12.412 -9.882 1.00 60.41 C ATOM 1740 CG LEU A 107 -6.910 -12.785 -11.119 1.00 44.25 C ATOM 1741 CD1 LEU A 107 -7.371 -14.091 -11.770 1.00 41.35 C ATOM 1742 CD2 LEU A 107 -6.914 -11.652 -12.138 1.00 62.02 C ATOM 0 H LEU A 107 -9.645 -12.028 -8.104 1.00 41.13 H new ATOM 0 HA LEU A 107 -9.102 -11.030 -10.852 1.00 62.22 H new ATOM 0 HB2 LEU A 107 -7.215 -11.673 -9.301 1.00 60.41 H new ATOM 0 HB3 LEU A 107 -7.862 -13.300 -9.258 1.00 60.41 H new ATOM 0 HG LEU A 107 -5.890 -12.941 -10.767 1.00 44.25 H new ATOM 0 HD11 LEU A 107 -6.741 -14.310 -12.632 1.00 41.35 H new ATOM 0 HD12 LEU A 107 -7.294 -14.904 -11.048 1.00 41.35 H new ATOM 0 HD13 LEU A 107 -8.407 -13.990 -12.094 1.00 41.35 H new ATOM 0 HD21 LEU A 107 -6.307 -11.934 -12.998 1.00 62.02 H new ATOM 0 HD22 LEU A 107 -7.936 -11.458 -12.463 1.00 62.02 H new ATOM 0 HD23 LEU A 107 -6.501 -10.752 -11.683 1.00 62.02 H new ATOM 1754 N PRO A 108 -10.745 -12.629 -11.913 1.00 12.41 N ATOM 1755 CA PRO A 108 -11.658 -13.577 -12.578 1.00 35.02 C ATOM 1756 C PRO A 108 -10.923 -14.663 -13.392 1.00 12.40 C ATOM 1757 O PRO A 108 -9.945 -14.386 -14.090 1.00 43.12 O ATOM 1758 CB PRO A 108 -12.470 -12.660 -13.499 1.00 23.42 C ATOM 1759 CG PRO A 108 -11.524 -11.567 -13.863 1.00 2.22 C ATOM 1760 CD PRO A 108 -10.650 -11.349 -12.651 1.00 1.51 C ATOM 0 HA PRO A 108 -12.255 -14.144 -11.863 1.00 35.02 H new ATOM 0 HB2 PRO A 108 -12.820 -13.194 -14.383 1.00 23.42 H new ATOM 0 HB3 PRO A 108 -13.353 -12.269 -12.993 1.00 23.42 H new ATOM 0 HG2 PRO A 108 -10.925 -11.843 -14.731 1.00 2.22 H new ATOM 0 HG3 PRO A 108 -12.063 -10.656 -14.124 1.00 2.22 H new ATOM 0 HD2 PRO A 108 -9.621 -11.126 -12.934 1.00 1.51 H new ATOM 0 HD3 PRO A 108 -11.003 -10.512 -12.048 1.00 1.51 H new ATOM 1768 N PHE A 109 -11.402 -15.904 -13.300 1.00 71.30 N ATOM 1769 CA PHE A 109 -10.783 -17.031 -14.010 1.00 74.34 C ATOM 1770 C PHE A 109 -11.257 -17.129 -15.476 1.00 52.34 C ATOM 1771 O PHE A 109 -12.278 -17.750 -15.774 1.00 72.25 O ATOM 1772 CB PHE A 109 -11.072 -18.348 -13.272 1.00 53.41 C ATOM 1773 CG PHE A 109 -10.435 -19.564 -13.909 1.00 41.45 C ATOM 1774 CD1 PHE A 109 -9.067 -19.781 -13.812 1.00 23.41 C ATOM 1775 CD2 PHE A 109 -11.205 -20.489 -14.602 1.00 63.45 C ATOM 1776 CE1 PHE A 109 -8.485 -20.894 -14.389 1.00 62.35 C ATOM 1777 CE2 PHE A 109 -10.627 -21.602 -15.182 1.00 14.40 C ATOM 1778 CZ PHE A 109 -9.265 -21.805 -15.076 1.00 32.31 C ATOM 0 H PHE A 109 -12.217 -16.157 -12.741 1.00 71.30 H new ATOM 0 HA PHE A 109 -9.708 -16.852 -14.026 1.00 74.34 H new ATOM 0 HB2 PHE A 109 -10.718 -18.262 -12.245 1.00 53.41 H new ATOM 0 HB3 PHE A 109 -12.151 -18.498 -13.226 1.00 53.41 H new ATOM 0 HD1 PHE A 109 -8.451 -19.072 -13.280 1.00 23.41 H new ATOM 0 HD2 PHE A 109 -12.271 -20.336 -14.689 1.00 63.45 H new ATOM 0 HE1 PHE A 109 -7.420 -21.052 -14.303 1.00 62.35 H new ATOM 0 HE2 PHE A 109 -11.239 -22.312 -15.718 1.00 14.40 H new ATOM 0 HZ PHE A 109 -8.810 -22.674 -15.529 1.00 32.31 H new ATOM 1788 N LEU A 110 -10.517 -16.489 -16.383 1.00 53.13 N ATOM 1789 CA LEU A 110 -10.765 -16.617 -17.829 1.00 23.23 C ATOM 1790 C LEU A 110 -9.674 -17.474 -18.494 1.00 51.14 C ATOM 1791 O LEU A 110 -8.683 -16.949 -19.003 1.00 15.15 O ATOM 1792 CB LEU A 110 -10.820 -15.239 -18.516 1.00 73.44 C ATOM 1793 CG LEU A 110 -12.055 -14.364 -18.215 1.00 5.13 C ATOM 1794 CD1 LEU A 110 -12.099 -13.942 -16.751 1.00 14.33 C ATOM 1795 CD2 LEU A 110 -12.072 -13.136 -19.128 1.00 53.03 C ATOM 0 H LEU A 110 -9.738 -15.874 -16.146 1.00 53.13 H new ATOM 0 HA LEU A 110 -11.733 -17.105 -17.948 1.00 23.23 H new ATOM 0 HB2 LEU A 110 -9.929 -14.680 -18.230 1.00 73.44 H new ATOM 0 HB3 LEU A 110 -10.767 -15.394 -19.594 1.00 73.44 H new ATOM 0 HG LEU A 110 -12.944 -14.963 -18.412 1.00 5.13 H new ATOM 0 HD11 LEU A 110 -12.982 -13.327 -16.576 1.00 14.33 H new ATOM 0 HD12 LEU A 110 -12.143 -14.828 -16.118 1.00 14.33 H new ATOM 0 HD13 LEU A 110 -11.204 -13.368 -16.511 1.00 14.33 H new ATOM 0 HD21 LEU A 110 -12.949 -12.528 -18.904 1.00 53.03 H new ATOM 0 HD22 LEU A 110 -11.170 -12.547 -18.962 1.00 53.03 H new ATOM 0 HD23 LEU A 110 -12.109 -13.457 -20.169 1.00 53.03 H new ATOM 1807 N ASP A 111 -9.853 -18.793 -18.479 1.00 30.12 N ATOM 1808 CA ASP A 111 -8.858 -19.712 -19.043 1.00 74.13 C ATOM 1809 C ASP A 111 -8.674 -19.488 -20.556 1.00 65.22 C ATOM 1810 O ASP A 111 -7.551 -19.488 -21.067 1.00 55.32 O ATOM 1811 CB ASP A 111 -9.270 -21.162 -18.771 1.00 45.22 C ATOM 1812 CG ASP A 111 -8.225 -22.155 -19.248 1.00 73.40 C ATOM 1813 OD1 ASP A 111 -7.233 -22.373 -18.526 1.00 12.32 O ATOM 1814 OD2 ASP A 111 -8.388 -22.718 -20.350 1.00 73.34 O ATOM 0 H ASP A 111 -10.674 -19.252 -18.084 1.00 30.12 H new ATOM 0 HA ASP A 111 -7.903 -19.510 -18.558 1.00 74.13 H new ATOM 0 HB2 ASP A 111 -9.435 -21.296 -17.702 1.00 45.22 H new ATOM 0 HB3 ASP A 111 -10.218 -21.368 -19.268 1.00 45.22 H new ATOM 1819 N ALA A 112 -9.785 -19.277 -21.257 1.00 2.03 N ATOM 1820 CA ALA A 112 -9.769 -19.083 -22.712 1.00 4.54 C ATOM 1821 C ALA A 112 -9.380 -17.645 -23.111 1.00 45.33 C ATOM 1822 O ALA A 112 -9.411 -17.292 -24.291 1.00 72.12 O ATOM 1823 CB ALA A 112 -11.129 -19.453 -23.294 1.00 41.23 C ATOM 0 H ALA A 112 -10.716 -19.235 -20.841 1.00 2.03 H new ATOM 0 HA ALA A 112 -9.003 -19.740 -23.125 1.00 4.54 H new ATOM 0 HB1 ALA A 112 -11.114 -19.308 -24.374 1.00 41.23 H new ATOM 0 HB2 ALA A 112 -11.348 -20.497 -23.071 1.00 41.23 H new ATOM 0 HB3 ALA A 112 -11.898 -18.819 -22.853 1.00 41.23 H new ATOM 1829 N GLN A 113 -9.023 -16.814 -22.128 1.00 32.04 N ATOM 1830 CA GLN A 113 -8.541 -15.450 -22.391 1.00 4.33 C ATOM 1831 C GLN A 113 -7.205 -15.184 -21.683 1.00 32.44 C ATOM 1832 O GLN A 113 -7.125 -14.393 -20.741 1.00 11.40 O ATOM 1833 CB GLN A 113 -9.587 -14.407 -21.961 1.00 55.32 C ATOM 1834 CG GLN A 113 -10.776 -14.286 -22.905 1.00 12.45 C ATOM 1835 CD GLN A 113 -10.388 -13.737 -24.269 1.00 3.03 C ATOM 1836 OE1 GLN A 113 -9.442 -12.963 -24.399 1.00 34.21 O ATOM 1837 NE2 GLN A 113 -11.112 -14.130 -25.295 1.00 34.44 N ATOM 0 H GLN A 113 -9.058 -17.061 -21.139 1.00 32.04 H new ATOM 0 HA GLN A 113 -8.380 -15.361 -23.465 1.00 4.33 H new ATOM 0 HB2 GLN A 113 -9.952 -14.664 -20.967 1.00 55.32 H new ATOM 0 HB3 GLN A 113 -9.101 -13.434 -21.880 1.00 55.32 H new ATOM 0 HG2 GLN A 113 -11.237 -15.266 -23.030 1.00 12.45 H new ATOM 0 HG3 GLN A 113 -11.527 -13.636 -22.456 1.00 12.45 H new ATOM 0 HE21 GLN A 113 -11.891 -14.773 -25.153 1.00 34.44 H new ATOM 0 HE22 GLN A 113 -10.894 -13.791 -26.232 1.00 34.44 H new ATOM 1846 N GLU A 114 -6.158 -15.858 -22.145 1.00 22.24 N ATOM 1847 CA GLU A 114 -4.809 -15.688 -21.588 1.00 21.00 C ATOM 1848 C GLU A 114 -4.326 -14.231 -21.705 1.00 35.45 C ATOM 1849 O GLU A 114 -3.725 -13.695 -20.775 1.00 51.34 O ATOM 1850 CB GLU A 114 -3.810 -16.644 -22.272 1.00 73.32 C ATOM 1851 CG GLU A 114 -3.637 -16.430 -23.778 1.00 4.40 C ATOM 1852 CD GLU A 114 -4.903 -16.713 -24.575 1.00 1.43 C ATOM 1853 OE1 GLU A 114 -5.203 -17.901 -24.820 1.00 32.33 O ATOM 1854 OE2 GLU A 114 -5.617 -15.751 -24.940 1.00 2.43 O ATOM 0 H GLU A 114 -6.212 -16.533 -22.908 1.00 22.24 H new ATOM 0 HA GLU A 114 -4.860 -15.937 -20.528 1.00 21.00 H new ATOM 0 HB2 GLU A 114 -2.838 -16.535 -21.791 1.00 73.32 H new ATOM 0 HB3 GLU A 114 -4.137 -17.670 -22.101 1.00 73.32 H new ATOM 0 HG2 GLU A 114 -3.325 -15.401 -23.958 1.00 4.40 H new ATOM 0 HG3 GLU A 114 -2.836 -17.075 -24.140 1.00 4.40 H new ATOM 1861 N LEU A 115 -4.603 -13.591 -22.845 1.00 21.24 N ATOM 1862 CA LEU A 115 -4.256 -12.173 -23.039 1.00 23.52 C ATOM 1863 C LEU A 115 -4.982 -11.271 -22.025 1.00 62.34 C ATOM 1864 O LEU A 115 -4.402 -10.314 -21.506 1.00 12.11 O ATOM 1865 CB LEU A 115 -4.573 -11.718 -24.478 1.00 53.12 C ATOM 1866 CG LEU A 115 -3.458 -11.957 -25.517 1.00 11.42 C ATOM 1867 CD1 LEU A 115 -2.216 -11.132 -25.173 1.00 71.10 C ATOM 1868 CD2 LEU A 115 -3.109 -13.439 -25.615 1.00 45.52 C ATOM 0 H LEU A 115 -5.063 -14.026 -23.645 1.00 21.24 H new ATOM 0 HA LEU A 115 -3.183 -12.077 -22.871 1.00 23.52 H new ATOM 0 HB2 LEU A 115 -5.473 -12.234 -24.813 1.00 53.12 H new ATOM 0 HB3 LEU A 115 -4.805 -10.653 -24.460 1.00 53.12 H new ATOM 0 HG LEU A 115 -3.828 -11.634 -26.490 1.00 11.42 H new ATOM 0 HD11 LEU A 115 -1.441 -11.314 -25.917 1.00 71.10 H new ATOM 0 HD12 LEU A 115 -2.473 -10.073 -25.168 1.00 71.10 H new ATOM 0 HD13 LEU A 115 -1.849 -11.421 -24.188 1.00 71.10 H new ATOM 0 HD21 LEU A 115 -2.321 -13.579 -26.354 1.00 45.52 H new ATOM 0 HD22 LEU A 115 -2.764 -13.797 -24.645 1.00 45.52 H new ATOM 0 HD23 LEU A 115 -3.993 -14.002 -25.916 1.00 45.52 H new ATOM 1880 N ALA A 116 -6.247 -11.584 -21.745 1.00 71.01 N ATOM 1881 CA ALA A 116 -7.032 -10.817 -20.769 1.00 2.24 C ATOM 1882 C ALA A 116 -6.478 -10.999 -19.350 1.00 70.22 C ATOM 1883 O ALA A 116 -6.273 -10.028 -18.625 1.00 14.34 O ATOM 1884 CB ALA A 116 -8.500 -11.226 -20.822 1.00 34.12 C ATOM 0 H ALA A 116 -6.751 -12.359 -22.176 1.00 71.01 H new ATOM 0 HA ALA A 116 -6.954 -9.762 -21.031 1.00 2.24 H new ATOM 0 HB1 ALA A 116 -9.066 -10.647 -20.092 1.00 34.12 H new ATOM 0 HB2 ALA A 116 -8.895 -11.036 -21.820 1.00 34.12 H new ATOM 0 HB3 ALA A 116 -8.590 -12.288 -20.592 1.00 34.12 H new ATOM 1890 N LYS A 117 -6.221 -12.252 -18.967 1.00 24.33 N ATOM 1891 CA LYS A 117 -5.635 -12.560 -17.656 1.00 53.20 C ATOM 1892 C LYS A 117 -4.250 -11.919 -17.489 1.00 42.13 C ATOM 1893 O LYS A 117 -3.921 -11.402 -16.422 1.00 2.34 O ATOM 1894 CB LYS A 117 -5.540 -14.072 -17.447 1.00 3.41 C ATOM 1895 CG LYS A 117 -6.898 -14.739 -17.248 1.00 70.24 C ATOM 1896 CD LYS A 117 -6.789 -16.057 -16.484 1.00 2.22 C ATOM 1897 CE LYS A 117 -6.094 -15.876 -15.133 1.00 24.24 C ATOM 1898 NZ LYS A 117 -4.613 -15.998 -15.237 1.00 10.13 N ATOM 0 H LYS A 117 -6.409 -13.071 -19.545 1.00 24.33 H new ATOM 0 HA LYS A 117 -6.296 -12.137 -16.899 1.00 53.20 H new ATOM 0 HB2 LYS A 117 -5.045 -14.521 -18.308 1.00 3.41 H new ATOM 0 HB3 LYS A 117 -4.913 -14.273 -16.578 1.00 3.41 H new ATOM 0 HG2 LYS A 117 -7.558 -14.061 -16.706 1.00 70.24 H new ATOM 0 HG3 LYS A 117 -7.357 -14.922 -18.220 1.00 70.24 H new ATOM 0 HD2 LYS A 117 -7.786 -16.470 -16.327 1.00 2.22 H new ATOM 0 HD3 LYS A 117 -6.235 -16.780 -17.083 1.00 2.22 H new ATOM 0 HE2 LYS A 117 -6.348 -14.898 -14.725 1.00 24.24 H new ATOM 0 HE3 LYS A 117 -6.469 -16.621 -14.431 1.00 24.24 H new ATOM 0 HZ1 LYS A 117 -4.292 -16.814 -14.677 1.00 10.13 H new ATOM 0 HZ2 LYS A 117 -4.345 -16.134 -16.233 1.00 10.13 H new ATOM 0 HZ3 LYS A 117 -4.167 -15.132 -14.874 1.00 10.13 H new ATOM 1912 N ALA A 118 -3.442 -11.963 -18.547 1.00 0.50 N ATOM 1913 CA ALA A 118 -2.120 -11.330 -18.537 1.00 21.12 C ATOM 1914 C ALA A 118 -2.223 -9.839 -18.185 1.00 42.20 C ATOM 1915 O ALA A 118 -1.579 -9.361 -17.251 1.00 64.14 O ATOM 1916 CB ALA A 118 -1.437 -11.513 -19.888 1.00 43.32 C ATOM 0 H ALA A 118 -3.678 -12.430 -19.423 1.00 0.50 H new ATOM 0 HA ALA A 118 -1.517 -11.815 -17.769 1.00 21.12 H new ATOM 0 HB1 ALA A 118 -0.456 -11.038 -19.867 1.00 43.32 H new ATOM 0 HB2 ALA A 118 -1.321 -12.577 -20.096 1.00 43.32 H new ATOM 0 HB3 ALA A 118 -2.045 -11.055 -20.668 1.00 43.32 H new ATOM 1922 N ALA A 119 -3.058 -9.116 -18.929 1.00 43.10 N ATOM 1923 CA ALA A 119 -3.283 -7.691 -18.682 1.00 14.34 C ATOM 1924 C ALA A 119 -3.929 -7.449 -17.304 1.00 64.20 C ATOM 1925 O ALA A 119 -3.551 -6.524 -16.586 1.00 70.13 O ATOM 1926 CB ALA A 119 -4.152 -7.097 -19.786 1.00 43.04 C ATOM 0 H ALA A 119 -3.592 -9.494 -19.711 1.00 43.10 H new ATOM 0 HA ALA A 119 -2.313 -7.195 -18.684 1.00 14.34 H new ATOM 0 HB1 ALA A 119 -4.313 -6.037 -19.592 1.00 43.04 H new ATOM 0 HB2 ALA A 119 -3.652 -7.218 -20.747 1.00 43.04 H new ATOM 0 HB3 ALA A 119 -5.113 -7.611 -19.809 1.00 43.04 H new ATOM 1932 N GLU A 120 -4.893 -8.294 -16.940 1.00 12.12 N ATOM 1933 CA GLU A 120 -5.616 -8.155 -15.667 1.00 75.34 C ATOM 1934 C GLU A 120 -4.670 -8.304 -14.459 1.00 23.51 C ATOM 1935 O GLU A 120 -4.564 -7.400 -13.634 1.00 44.00 O ATOM 1936 CB GLU A 120 -6.745 -9.195 -15.588 1.00 73.50 C ATOM 1937 CG GLU A 120 -7.678 -9.042 -14.383 1.00 43.22 C ATOM 1938 CD GLU A 120 -8.501 -7.758 -14.403 1.00 12.23 C ATOM 1939 OE1 GLU A 120 -9.106 -7.447 -15.451 1.00 1.20 O ATOM 1940 OE2 GLU A 120 -8.576 -7.069 -13.360 1.00 22.11 O ATOM 0 H GLU A 120 -5.195 -9.086 -17.508 1.00 12.12 H new ATOM 0 HA GLU A 120 -6.044 -7.153 -15.632 1.00 75.34 H new ATOM 0 HB2 GLU A 120 -7.340 -9.135 -16.500 1.00 73.50 H new ATOM 0 HB3 GLU A 120 -6.302 -10.190 -15.562 1.00 73.50 H new ATOM 0 HG2 GLU A 120 -8.354 -9.896 -14.348 1.00 43.22 H new ATOM 0 HG3 GLU A 120 -7.084 -9.068 -13.469 1.00 43.22 H new ATOM 1947 N GLU A 121 -3.967 -9.438 -14.372 1.00 1.24 N ATOM 1948 CA GLU A 121 -3.069 -9.710 -13.237 1.00 62.35 C ATOM 1949 C GLU A 121 -1.914 -8.697 -13.160 1.00 55.12 C ATOM 1950 O GLU A 121 -1.451 -8.359 -12.069 1.00 61.44 O ATOM 1951 CB GLU A 121 -2.516 -11.144 -13.306 1.00 13.42 C ATOM 1952 CG GLU A 121 -3.577 -12.223 -13.109 1.00 33.24 C ATOM 1953 CD GLU A 121 -2.994 -13.627 -13.036 1.00 23.42 C ATOM 1954 OE1 GLU A 121 -2.514 -14.026 -11.953 1.00 32.25 O ATOM 1955 OE2 GLU A 121 -3.009 -14.340 -14.061 1.00 12.15 O ATOM 0 H GLU A 121 -4.000 -10.182 -15.069 1.00 1.24 H new ATOM 0 HA GLU A 121 -3.663 -9.605 -12.329 1.00 62.35 H new ATOM 0 HB2 GLU A 121 -2.036 -11.292 -14.273 1.00 13.42 H new ATOM 0 HB3 GLU A 121 -1.744 -11.263 -12.545 1.00 13.42 H new ATOM 0 HG2 GLU A 121 -4.130 -12.017 -12.192 1.00 33.24 H new ATOM 0 HG3 GLU A 121 -4.292 -12.175 -13.930 1.00 33.24 H new ATOM 1962 N GLU A 122 -1.440 -8.221 -14.310 1.00 44.45 N ATOM 1963 CA GLU A 122 -0.398 -7.184 -14.342 1.00 65.22 C ATOM 1964 C GLU A 122 -0.951 -5.818 -13.893 1.00 54.32 C ATOM 1965 O GLU A 122 -0.269 -5.056 -13.204 1.00 12.05 O ATOM 1966 CB GLU A 122 0.228 -7.089 -15.741 1.00 64.41 C ATOM 1967 CG GLU A 122 1.090 -8.296 -16.109 1.00 53.02 C ATOM 1968 CD GLU A 122 2.354 -8.404 -15.262 1.00 31.02 C ATOM 1969 OE1 GLU A 122 2.307 -9.018 -14.170 1.00 61.44 O ATOM 1970 OE2 GLU A 122 3.403 -7.866 -15.682 1.00 32.54 O ATOM 0 H GLU A 122 -1.755 -8.531 -15.229 1.00 44.45 H new ATOM 0 HA GLU A 122 0.381 -7.471 -13.636 1.00 65.22 H new ATOM 0 HB2 GLU A 122 -0.567 -6.982 -16.479 1.00 64.41 H new ATOM 0 HB3 GLU A 122 0.838 -6.187 -15.797 1.00 64.41 H new ATOM 0 HG2 GLU A 122 0.501 -9.206 -15.991 1.00 53.02 H new ATOM 0 HG3 GLU A 122 1.368 -8.230 -17.161 1.00 53.02 H new ATOM 1977 N MET A 123 -2.188 -5.516 -14.278 1.00 24.34 N ATOM 1978 CA MET A 123 -2.877 -4.321 -13.775 1.00 0.24 C ATOM 1979 C MET A 123 -3.076 -4.406 -12.256 1.00 24.10 C ATOM 1980 O MET A 123 -2.722 -3.487 -11.525 1.00 63.22 O ATOM 1981 CB MET A 123 -4.232 -4.135 -14.473 1.00 14.42 C ATOM 1982 CG MET A 123 -4.126 -3.579 -15.889 1.00 71.43 C ATOM 1983 SD MET A 123 -3.445 -1.907 -15.927 1.00 22.52 S ATOM 1984 CE MET A 123 -4.657 -1.013 -14.947 1.00 44.21 C ATOM 0 H MET A 123 -2.735 -6.075 -14.932 1.00 24.34 H new ATOM 0 HA MET A 123 -2.250 -3.457 -13.998 1.00 0.24 H new ATOM 0 HB2 MET A 123 -4.747 -5.095 -14.508 1.00 14.42 H new ATOM 0 HB3 MET A 123 -4.849 -3.464 -13.875 1.00 14.42 H new ATOM 0 HG2 MET A 123 -3.497 -4.238 -16.488 1.00 71.43 H new ATOM 0 HG3 MET A 123 -5.114 -3.576 -16.349 1.00 71.43 H new ATOM 0 HE1 MET A 123 -4.587 0.053 -15.165 1.00 44.21 H new ATOM 0 HE2 MET A 123 -5.658 -1.368 -15.193 1.00 44.21 H new ATOM 0 HE3 MET A 123 -4.463 -1.180 -13.888 1.00 44.21 H new ATOM 1994 N LEU A 124 -3.623 -5.526 -11.788 1.00 40.11 N ATOM 1995 CA LEU A 124 -3.867 -5.735 -10.355 1.00 44.34 C ATOM 1996 C LEU A 124 -2.554 -5.768 -9.561 1.00 34.42 C ATOM 1997 O LEU A 124 -2.512 -5.371 -8.398 1.00 32.24 O ATOM 1998 CB LEU A 124 -4.662 -7.030 -10.136 1.00 34.03 C ATOM 1999 CG LEU A 124 -5.995 -7.109 -10.902 1.00 2.10 C ATOM 2000 CD1 LEU A 124 -6.800 -8.333 -10.481 1.00 71.24 C ATOM 2001 CD2 LEU A 124 -6.806 -5.832 -10.710 1.00 54.24 C ATOM 0 H LEU A 124 -3.908 -6.307 -12.379 1.00 40.11 H new ATOM 0 HA LEU A 124 -4.454 -4.893 -9.987 1.00 44.34 H new ATOM 0 HB2 LEU A 124 -4.040 -7.875 -10.430 1.00 34.03 H new ATOM 0 HB3 LEU A 124 -4.865 -7.139 -9.071 1.00 34.03 H new ATOM 0 HG LEU A 124 -5.766 -7.210 -11.963 1.00 2.10 H new ATOM 0 HD11 LEU A 124 -7.736 -8.362 -11.039 1.00 71.24 H new ATOM 0 HD12 LEU A 124 -6.225 -9.236 -10.689 1.00 71.24 H new ATOM 0 HD13 LEU A 124 -7.015 -8.278 -9.414 1.00 71.24 H new ATOM 0 HD21 LEU A 124 -7.744 -5.910 -11.260 1.00 54.24 H new ATOM 0 HD22 LEU A 124 -7.018 -5.691 -9.650 1.00 54.24 H new ATOM 0 HD23 LEU A 124 -6.237 -4.980 -11.082 1.00 54.24 H new ATOM 2013 N TYR A 125 -1.491 -6.241 -10.206 1.00 4.30 N ATOM 2014 CA TYR A 125 -0.142 -6.238 -9.623 1.00 20.04 C ATOM 2015 C TYR A 125 0.225 -4.832 -9.106 1.00 64.24 C ATOM 2016 O TYR A 125 0.682 -4.663 -7.974 1.00 45.41 O ATOM 2017 CB TYR A 125 0.860 -6.683 -10.701 1.00 20.54 C ATOM 2018 CG TYR A 125 2.244 -7.074 -10.199 1.00 12.45 C ATOM 2019 CD1 TYR A 125 3.155 -6.118 -9.753 1.00 64.00 C ATOM 2020 CD2 TYR A 125 2.644 -8.408 -10.196 1.00 35.54 C ATOM 2021 CE1 TYR A 125 4.418 -6.481 -9.324 1.00 42.03 C ATOM 2022 CE2 TYR A 125 3.907 -8.774 -9.774 1.00 43.41 C ATOM 2023 CZ TYR A 125 4.787 -7.810 -9.336 1.00 72.43 C ATOM 2024 OH TYR A 125 6.050 -8.176 -8.928 1.00 12.32 O ATOM 0 H TYR A 125 -1.534 -6.637 -11.145 1.00 4.30 H new ATOM 0 HA TYR A 125 -0.111 -6.925 -8.778 1.00 20.04 H new ATOM 0 HB2 TYR A 125 0.435 -7.532 -11.237 1.00 20.54 H new ATOM 0 HB3 TYR A 125 0.971 -5.874 -11.423 1.00 20.54 H new ATOM 0 HD1 TYR A 125 2.869 -5.076 -9.742 1.00 64.00 H new ATOM 0 HD2 TYR A 125 1.955 -9.169 -10.529 1.00 35.54 H new ATOM 0 HE1 TYR A 125 5.112 -5.728 -8.981 1.00 42.03 H new ATOM 0 HE2 TYR A 125 4.203 -9.812 -9.788 1.00 43.41 H new ATOM 0 HH TYR A 125 6.147 -9.149 -8.997 1.00 12.32 H new ATOM 2034 N LYS A 126 0.000 -3.829 -9.953 1.00 61.35 N ATOM 2035 CA LYS A 126 0.291 -2.431 -9.613 1.00 4.02 C ATOM 2036 C LYS A 126 -0.932 -1.728 -8.991 1.00 32.51 C ATOM 2037 O LYS A 126 -0.792 -0.703 -8.325 1.00 11.31 O ATOM 2038 CB LYS A 126 0.753 -1.677 -10.870 1.00 24.14 C ATOM 2039 CG LYS A 126 -0.247 -1.737 -12.024 1.00 34.31 C ATOM 2040 CD LYS A 126 0.275 -1.042 -13.280 1.00 30.12 C ATOM 2041 CE LYS A 126 0.495 0.449 -13.061 1.00 43.12 C ATOM 2042 NZ LYS A 126 0.894 1.135 -14.317 1.00 12.21 N ATOM 0 H LYS A 126 -0.386 -3.957 -10.888 1.00 61.35 H new ATOM 0 HA LYS A 126 1.087 -2.424 -8.869 1.00 4.02 H new ATOM 0 HB2 LYS A 126 0.934 -0.634 -10.611 1.00 24.14 H new ATOM 0 HB3 LYS A 126 1.704 -2.092 -11.203 1.00 24.14 H new ATOM 0 HG2 LYS A 126 -0.471 -2.779 -12.254 1.00 34.31 H new ATOM 0 HG3 LYS A 126 -1.183 -1.271 -11.716 1.00 34.31 H new ATOM 0 HD2 LYS A 126 1.213 -1.505 -13.587 1.00 30.12 H new ATOM 0 HD3 LYS A 126 -0.434 -1.187 -14.095 1.00 30.12 H new ATOM 0 HE2 LYS A 126 -0.420 0.899 -12.675 1.00 43.12 H new ATOM 0 HE3 LYS A 126 1.266 0.596 -12.305 1.00 43.12 H new ATOM 0 HZ1 LYS A 126 1.035 2.148 -14.129 1.00 12.21 H new ATOM 0 HZ2 LYS A 126 1.780 0.722 -14.672 1.00 12.21 H new ATOM 0 HZ3 LYS A 126 0.147 1.016 -15.030 1.00 12.21 H new ATOM 2056 N ASP A 127 -2.126 -2.279 -9.213 1.00 23.34 N ATOM 2057 CA ASP A 127 -3.366 -1.706 -8.669 1.00 74.42 C ATOM 2058 C ASP A 127 -3.449 -1.909 -7.148 1.00 20.03 C ATOM 2059 O ASP A 127 -3.787 -0.987 -6.406 1.00 42.43 O ATOM 2060 CB ASP A 127 -4.581 -2.332 -9.360 1.00 22.23 C ATOM 2061 CG ASP A 127 -5.887 -1.675 -8.951 1.00 62.13 C ATOM 2062 OD1 ASP A 127 -6.197 -0.584 -9.472 1.00 23.14 O ATOM 2063 OD2 ASP A 127 -6.605 -2.240 -8.102 1.00 25.43 O ATOM 0 H ASP A 127 -2.265 -3.124 -9.767 1.00 23.34 H new ATOM 0 HA ASP A 127 -3.361 -0.633 -8.863 1.00 74.42 H new ATOM 0 HB2 ASP A 127 -4.461 -2.252 -10.440 1.00 22.23 H new ATOM 0 HB3 ASP A 127 -4.623 -3.395 -9.121 1.00 22.23 H new ATOM 2068 N MET A 128 -3.133 -3.121 -6.694 1.00 63.51 N ATOM 2069 CA MET A 128 -3.042 -3.413 -5.256 1.00 41.01 C ATOM 2070 C MET A 128 -1.957 -2.543 -4.603 1.00 33.11 C ATOM 2071 O MET A 128 -2.135 -2.014 -3.504 1.00 51.21 O ATOM 2072 CB MET A 128 -2.725 -4.900 -5.039 1.00 63.21 C ATOM 2073 CG MET A 128 -3.784 -5.843 -5.596 1.00 52.30 C ATOM 2074 SD MET A 128 -3.289 -7.576 -5.514 1.00 74.51 S ATOM 2075 CE MET A 128 -3.067 -7.797 -3.751 1.00 14.33 C ATOM 0 H MET A 128 -2.935 -3.919 -7.297 1.00 63.51 H new ATOM 0 HA MET A 128 -4.001 -3.184 -4.792 1.00 41.01 H new ATOM 0 HB2 MET A 128 -1.767 -5.129 -5.505 1.00 63.21 H new ATOM 0 HB3 MET A 128 -2.612 -5.086 -3.971 1.00 63.21 H new ATOM 0 HG2 MET A 128 -4.712 -5.708 -5.041 1.00 52.30 H new ATOM 0 HG3 MET A 128 -3.991 -5.578 -6.633 1.00 52.30 H new ATOM 0 HE1 MET A 128 -2.935 -8.856 -3.531 1.00 14.33 H new ATOM 0 HE2 MET A 128 -2.186 -7.246 -3.423 1.00 14.33 H new ATOM 0 HE3 MET A 128 -3.945 -7.424 -3.224 1.00 14.33 H new ATOM 2085 N GLN A 129 -0.829 -2.409 -5.302 1.00 41.30 N ATOM 2086 CA GLN A 129 0.267 -1.528 -4.884 1.00 44.02 C ATOM 2087 C GLN A 129 -0.218 -0.067 -4.800 1.00 54.03 C ATOM 2088 O GLN A 129 0.134 0.673 -3.878 1.00 55.25 O ATOM 2089 CB GLN A 129 1.420 -1.656 -5.897 1.00 71.12 C ATOM 2090 CG GLN A 129 2.720 -0.967 -5.491 1.00 0.41 C ATOM 2091 CD GLN A 129 3.359 -1.572 -4.250 1.00 14.01 C ATOM 2092 OE1 GLN A 129 3.163 -2.745 -3.935 1.00 44.24 O ATOM 2093 NE2 GLN A 129 4.160 -0.790 -3.556 1.00 3.23 N ATOM 0 H GLN A 129 -0.648 -2.907 -6.174 1.00 41.30 H new ATOM 0 HA GLN A 129 0.616 -1.822 -3.894 1.00 44.02 H new ATOM 0 HB2 GLN A 129 1.624 -2.714 -6.060 1.00 71.12 H new ATOM 0 HB3 GLN A 129 1.092 -1.244 -6.851 1.00 71.12 H new ATOM 0 HG2 GLN A 129 3.427 -1.023 -6.319 1.00 0.41 H new ATOM 0 HG3 GLN A 129 2.522 0.090 -5.311 1.00 0.41 H new ATOM 0 HE21 GLN A 129 4.302 0.178 -3.843 1.00 3.23 H new ATOM 0 HE22 GLN A 129 4.639 -1.153 -2.732 1.00 3.23 H new ATOM 2102 N LYS A 130 -1.039 0.322 -5.774 1.00 21.02 N ATOM 2103 CA LYS A 130 -1.644 1.658 -5.832 1.00 72.04 C ATOM 2104 C LYS A 130 -2.566 1.925 -4.630 1.00 33.44 C ATOM 2105 O LYS A 130 -2.311 2.816 -3.818 1.00 45.41 O ATOM 2106 CB LYS A 130 -2.460 1.795 -7.130 1.00 21.13 C ATOM 2107 CG LYS A 130 -3.238 3.107 -7.260 1.00 71.43 C ATOM 2108 CD LYS A 130 -4.478 2.944 -8.141 1.00 72.11 C ATOM 2109 CE LYS A 130 -5.501 2.003 -7.501 1.00 21.32 C ATOM 2110 NZ LYS A 130 -6.684 1.779 -8.370 1.00 65.23 N ATOM 0 H LYS A 130 -1.307 -0.282 -6.551 1.00 21.02 H new ATOM 0 HA LYS A 130 -0.835 2.388 -5.807 1.00 72.04 H new ATOM 0 HB2 LYS A 130 -1.784 1.704 -7.980 1.00 21.13 H new ATOM 0 HB3 LYS A 130 -3.163 0.964 -7.191 1.00 21.13 H new ATOM 0 HG2 LYS A 130 -3.537 3.452 -6.270 1.00 71.43 H new ATOM 0 HG3 LYS A 130 -2.590 3.874 -7.683 1.00 71.43 H new ATOM 0 HD2 LYS A 130 -4.935 3.919 -8.311 1.00 72.11 H new ATOM 0 HD3 LYS A 130 -4.184 2.555 -9.116 1.00 72.11 H new ATOM 0 HE2 LYS A 130 -5.026 1.046 -7.285 1.00 21.32 H new ATOM 0 HE3 LYS A 130 -5.827 2.419 -6.548 1.00 21.32 H new ATOM 0 HZ1 LYS A 130 -7.497 1.499 -7.785 1.00 65.23 H new ATOM 0 HZ2 LYS A 130 -6.911 2.656 -8.881 1.00 65.23 H new ATOM 0 HZ3 LYS A 130 -6.474 1.025 -9.054 1.00 65.23 H new ATOM 2124 N ASP A 131 -3.638 1.142 -4.531 1.00 14.33 N ATOM 2125 CA ASP A 131 -4.674 1.355 -3.516 1.00 3.21 C ATOM 2126 C ASP A 131 -4.081 1.343 -2.095 1.00 21.32 C ATOM 2127 O ASP A 131 -4.424 2.181 -1.260 1.00 43.40 O ATOM 2128 CB ASP A 131 -5.763 0.282 -3.661 1.00 75.33 C ATOM 2129 CG ASP A 131 -7.061 0.667 -2.972 1.00 14.45 C ATOM 2130 OD1 ASP A 131 -7.777 1.545 -3.496 1.00 1.12 O ATOM 2131 OD2 ASP A 131 -7.378 0.088 -1.916 1.00 43.22 O ATOM 0 H ASP A 131 -3.815 0.347 -5.146 1.00 14.33 H new ATOM 0 HA ASP A 131 -5.116 2.339 -3.673 1.00 3.21 H new ATOM 0 HB2 ASP A 131 -5.956 0.107 -4.719 1.00 75.33 H new ATOM 0 HB3 ASP A 131 -5.400 -0.657 -3.244 1.00 75.33 H new ATOM 2136 N ALA A 132 -3.164 0.405 -1.846 1.00 72.44 N ATOM 2137 CA ALA A 132 -2.495 0.286 -0.544 1.00 53.31 C ATOM 2138 C ALA A 132 -1.820 1.600 -0.117 1.00 10.33 C ATOM 2139 O ALA A 132 -2.091 2.127 0.965 1.00 30.45 O ATOM 2140 CB ALA A 132 -1.472 -0.844 -0.585 1.00 52.32 C ATOM 0 H ALA A 132 -2.865 -0.288 -2.532 1.00 72.44 H new ATOM 0 HA ALA A 132 -3.260 0.059 0.199 1.00 53.31 H new ATOM 0 HB1 ALA A 132 -0.981 -0.925 0.385 1.00 52.32 H new ATOM 0 HB2 ALA A 132 -1.976 -1.783 -0.816 1.00 52.32 H new ATOM 0 HB3 ALA A 132 -0.727 -0.633 -1.353 1.00 52.32 H new ATOM 2146 N VAL A 133 -0.950 2.137 -0.975 1.00 54.41 N ATOM 2147 CA VAL A 133 -0.215 3.362 -0.651 1.00 63.51 C ATOM 2148 C VAL A 133 -1.151 4.585 -0.558 1.00 63.05 C ATOM 2149 O VAL A 133 -0.894 5.521 0.206 1.00 43.23 O ATOM 2150 CB VAL A 133 0.922 3.633 -1.672 1.00 64.22 C ATOM 2151 CG1 VAL A 133 0.369 3.907 -3.068 1.00 3.14 C ATOM 2152 CG2 VAL A 133 1.812 4.778 -1.196 1.00 43.45 C ATOM 0 H VAL A 133 -0.738 1.746 -1.893 1.00 54.41 H new ATOM 0 HA VAL A 133 0.235 3.205 0.329 1.00 63.51 H new ATOM 0 HB VAL A 133 1.532 2.732 -1.738 1.00 64.22 H new ATOM 0 HG11 VAL A 133 1.194 4.092 -3.756 1.00 3.14 H new ATOM 0 HG12 VAL A 133 -0.201 3.043 -3.409 1.00 3.14 H new ATOM 0 HG13 VAL A 133 -0.281 4.781 -3.037 1.00 3.14 H new ATOM 0 HG21 VAL A 133 2.603 4.952 -1.926 1.00 43.45 H new ATOM 0 HG22 VAL A 133 1.214 5.683 -1.087 1.00 43.45 H new ATOM 0 HG23 VAL A 133 2.256 4.518 -0.235 1.00 43.45 H new ATOM 2162 N GLN A 134 -2.249 4.568 -1.323 1.00 25.02 N ATOM 2163 CA GLN A 134 -3.263 5.629 -1.235 1.00 14.14 C ATOM 2164 C GLN A 134 -3.917 5.637 0.155 1.00 32.14 C ATOM 2165 O GLN A 134 -4.117 6.693 0.761 1.00 11.22 O ATOM 2166 CB GLN A 134 -4.348 5.446 -2.313 1.00 60.03 C ATOM 2167 CG GLN A 134 -3.831 5.508 -3.749 1.00 53.45 C ATOM 2168 CD GLN A 134 -3.171 6.835 -4.095 1.00 61.25 C ATOM 2169 OE1 GLN A 134 -1.868 6.918 -3.914 1.00 54.35 O flip ATOM 2170 NE2 GLN A 134 -3.823 7.776 -4.537 1.00 20.42 N flip ATOM 0 H GLN A 134 -2.458 3.839 -2.005 1.00 25.02 H new ATOM 0 HA GLN A 134 -2.760 6.582 -1.401 1.00 14.14 H new ATOM 0 HB2 GLN A 134 -4.838 4.485 -2.158 1.00 60.03 H new ATOM 0 HB3 GLN A 134 -5.108 6.216 -2.180 1.00 60.03 H new ATOM 0 HG2 GLN A 134 -3.114 4.702 -3.905 1.00 53.45 H new ATOM 0 HG3 GLN A 134 -4.660 5.333 -4.434 1.00 53.45 H new ATOM 0 HE21 GLN A 134 -4.830 7.682 -4.666 1.00 20.42 H new ATOM 0 HE22 GLN A 134 -3.358 8.652 -4.775 1.00 20.42 H new ATOM 2179 N GLN A 135 -4.238 4.445 0.655 1.00 51.44 N ATOM 2180 CA GLN A 135 -4.849 4.296 1.979 1.00 65.25 C ATOM 2181 C GLN A 135 -3.879 4.713 3.100 1.00 12.04 C ATOM 2182 O GLN A 135 -4.301 5.227 4.140 1.00 10.32 O ATOM 2183 CB GLN A 135 -5.316 2.846 2.183 1.00 75.11 C ATOM 2184 CG GLN A 135 -6.365 2.379 1.171 1.00 64.33 C ATOM 2185 CD GLN A 135 -7.717 3.059 1.340 1.00 4.43 C ATOM 2186 OE1 GLN A 135 -7.816 4.193 1.805 1.00 51.41 O ATOM 2187 NE2 GLN A 135 -8.774 2.383 0.944 1.00 60.43 N ATOM 0 H GLN A 135 -4.085 3.565 0.163 1.00 51.44 H new ATOM 0 HA GLN A 135 -5.712 4.960 2.029 1.00 65.25 H new ATOM 0 HB2 GLN A 135 -4.451 2.185 2.124 1.00 75.11 H new ATOM 0 HB3 GLN A 135 -5.726 2.746 3.188 1.00 75.11 H new ATOM 0 HG2 GLN A 135 -5.996 2.568 0.163 1.00 64.33 H new ATOM 0 HG3 GLN A 135 -6.495 1.301 1.266 1.00 64.33 H new ATOM 0 HE21 GLN A 135 -8.665 1.444 0.562 1.00 60.43 H new ATOM 0 HE22 GLN A 135 -9.703 2.798 1.019 1.00 60.43 H new ATOM 2196 N ILE A 136 -2.579 4.482 2.889 1.00 51.43 N ATOM 2197 CA ILE A 136 -1.551 4.947 3.834 1.00 43.54 C ATOM 2198 C ILE A 136 -1.599 6.477 3.969 1.00 71.23 C ATOM 2199 O ILE A 136 -1.676 7.015 5.078 1.00 44.40 O ATOM 2200 CB ILE A 136 -0.125 4.520 3.392 1.00 54.20 C ATOM 2201 CG1 ILE A 136 -0.023 2.988 3.297 1.00 64.23 C ATOM 2202 CG2 ILE A 136 0.931 5.072 4.355 1.00 5.32 C ATOM 2203 CD1 ILE A 136 1.333 2.489 2.839 1.00 31.32 C ATOM 0 H ILE A 136 -2.213 3.980 2.080 1.00 51.43 H new ATOM 0 HA ILE A 136 -1.767 4.483 4.796 1.00 43.54 H new ATOM 0 HB ILE A 136 0.064 4.939 2.403 1.00 54.20 H new ATOM 0 HG12 ILE A 136 -0.247 2.558 4.273 1.00 64.23 H new ATOM 0 HG13 ILE A 136 -0.785 2.625 2.607 1.00 64.23 H new ATOM 0 HG21 ILE A 136 1.922 4.760 4.026 1.00 5.32 H new ATOM 0 HG22 ILE A 136 0.878 6.161 4.367 1.00 5.32 H new ATOM 0 HG23 ILE A 136 0.745 4.688 5.358 1.00 5.32 H new ATOM 0 HD11 ILE A 136 1.325 1.400 2.798 1.00 31.32 H new ATOM 0 HD12 ILE A 136 1.552 2.888 1.849 1.00 31.32 H new ATOM 0 HD13 ILE A 136 2.098 2.820 3.541 1.00 31.32 H new ATOM 2215 N LEU A 137 -1.568 7.164 2.827 1.00 34.10 N ATOM 2216 CA LEU A 137 -1.678 8.628 2.785 1.00 34.43 C ATOM 2217 C LEU A 137 -2.919 9.124 3.543 1.00 44.41 C ATOM 2218 O LEU A 137 -2.860 10.114 4.277 1.00 54.32 O ATOM 2219 CB LEU A 137 -1.741 9.105 1.326 1.00 51.22 C ATOM 2220 CG LEU A 137 -2.012 10.609 1.135 1.00 52.30 C ATOM 2221 CD1 LEU A 137 -0.870 11.443 1.714 1.00 62.21 C ATOM 2222 CD2 LEU A 137 -2.234 10.939 -0.341 1.00 20.10 C ATOM 0 H LEU A 137 -1.467 6.729 1.910 1.00 34.10 H new ATOM 0 HA LEU A 137 -0.796 9.042 3.273 1.00 34.43 H new ATOM 0 HB2 LEU A 137 -0.797 8.858 0.840 1.00 51.22 H new ATOM 0 HB3 LEU A 137 -2.521 8.544 0.811 1.00 51.22 H new ATOM 0 HG LEU A 137 -2.924 10.861 1.677 1.00 52.30 H new ATOM 0 HD11 LEU A 137 -1.083 12.502 1.568 1.00 62.21 H new ATOM 0 HD12 LEU A 137 -0.772 11.236 2.780 1.00 62.21 H new ATOM 0 HD13 LEU A 137 0.061 11.187 1.208 1.00 62.21 H new ATOM 0 HD21 LEU A 137 -2.423 12.007 -0.451 1.00 20.10 H new ATOM 0 HD22 LEU A 137 -1.346 10.668 -0.912 1.00 20.10 H new ATOM 0 HD23 LEU A 137 -3.091 10.378 -0.714 1.00 20.10 H new ATOM 2234 N ARG A 138 -4.036 8.425 3.354 1.00 45.04 N ATOM 2235 CA ARG A 138 -5.303 8.774 4.006 1.00 14.15 C ATOM 2236 C ARG A 138 -5.136 8.930 5.530 1.00 53.45 C ATOM 2237 O ARG A 138 -5.580 9.918 6.112 1.00 44.04 O ATOM 2238 CB ARG A 138 -6.357 7.697 3.703 1.00 74.12 C ATOM 2239 CG ARG A 138 -7.776 8.066 4.140 1.00 13.12 C ATOM 2240 CD ARG A 138 -8.376 9.150 3.249 1.00 51.55 C ATOM 2241 NE ARG A 138 -8.419 8.734 1.847 1.00 41.22 N ATOM 2242 CZ ARG A 138 -8.783 9.501 0.855 1.00 61.31 C ATOM 2243 NH1 ARG A 138 -9.171 10.721 1.060 1.00 32.22 N ATOM 2244 NH2 ARG A 138 -8.765 9.032 -0.350 1.00 24.21 N ATOM 0 H ARG A 138 -4.092 7.605 2.749 1.00 45.04 H new ATOM 0 HA ARG A 138 -5.631 9.734 3.608 1.00 14.15 H new ATOM 0 HB2 ARG A 138 -6.359 7.498 2.631 1.00 74.12 H new ATOM 0 HB3 ARG A 138 -6.066 6.771 4.198 1.00 74.12 H new ATOM 0 HG2 ARG A 138 -8.408 7.179 4.110 1.00 13.12 H new ATOM 0 HG3 ARG A 138 -7.760 8.412 5.174 1.00 13.12 H new ATOM 0 HD2 ARG A 138 -9.384 9.385 3.590 1.00 51.55 H new ATOM 0 HD3 ARG A 138 -7.788 10.063 3.340 1.00 51.55 H new ATOM 0 HE ARG A 138 -8.145 7.776 1.629 1.00 41.22 H new ATOM 0 HH11 ARG A 138 -9.195 11.096 2.008 1.00 32.22 H new ATOM 0 HH12 ARG A 138 -9.452 11.306 0.273 1.00 32.22 H new ATOM 0 HH21 ARG A 138 -8.468 8.071 -0.519 1.00 24.21 H new ATOM 0 HH22 ARG A 138 -9.048 9.623 -1.132 1.00 24.21 H new ATOM 2258 N GLN A 139 -4.492 7.949 6.167 1.00 40.00 N ATOM 2259 CA GLN A 139 -4.251 7.993 7.620 1.00 52.45 C ATOM 2260 C GLN A 139 -3.247 9.101 7.998 1.00 40.25 C ATOM 2261 O GLN A 139 -3.482 9.878 8.928 1.00 75.50 O ATOM 2262 CB GLN A 139 -3.743 6.631 8.126 1.00 63.25 C ATOM 2263 CG GLN A 139 -4.760 5.496 8.016 1.00 12.32 C ATOM 2264 CD GLN A 139 -4.255 4.190 8.625 1.00 51.50 C ATOM 2265 OE1 GLN A 139 -4.439 3.928 9.810 1.00 52.11 O ATOM 2266 NE2 GLN A 139 -3.611 3.363 7.823 1.00 14.41 N ATOM 0 H GLN A 139 -4.127 7.115 5.706 1.00 40.00 H new ATOM 0 HA GLN A 139 -5.203 8.222 8.100 1.00 52.45 H new ATOM 0 HB2 GLN A 139 -2.850 6.358 7.563 1.00 63.25 H new ATOM 0 HB3 GLN A 139 -3.443 6.734 9.169 1.00 63.25 H new ATOM 0 HG2 GLN A 139 -5.683 5.791 8.515 1.00 12.32 H new ATOM 0 HG3 GLN A 139 -5.003 5.332 6.966 1.00 12.32 H new ATOM 0 HE21 GLN A 139 -3.473 3.607 6.842 1.00 14.41 H new ATOM 0 HE22 GLN A 139 -3.251 2.479 8.184 1.00 14.41 H new ATOM 2275 N VAL A 140 -2.135 9.174 7.262 1.00 34.13 N ATOM 2276 CA VAL A 140 -1.071 10.156 7.536 1.00 23.42 C ATOM 2277 C VAL A 140 -1.579 11.611 7.445 1.00 1.51 C ATOM 2278 O VAL A 140 -1.067 12.501 8.120 1.00 35.30 O ATOM 2279 CB VAL A 140 0.132 9.967 6.568 1.00 42.13 C ATOM 2280 CG1 VAL A 140 1.231 10.999 6.837 1.00 30.03 C ATOM 2281 CG2 VAL A 140 0.692 8.547 6.667 1.00 34.33 C ATOM 0 H VAL A 140 -1.943 8.564 6.467 1.00 34.13 H new ATOM 0 HA VAL A 140 -0.743 9.974 8.559 1.00 23.42 H new ATOM 0 HB VAL A 140 -0.233 10.123 5.553 1.00 42.13 H new ATOM 0 HG11 VAL A 140 2.057 10.840 6.144 1.00 30.03 H new ATOM 0 HG12 VAL A 140 0.829 12.003 6.698 1.00 30.03 H new ATOM 0 HG13 VAL A 140 1.590 10.890 7.860 1.00 30.03 H new ATOM 0 HG21 VAL A 140 1.532 8.439 5.981 1.00 34.33 H new ATOM 0 HG22 VAL A 140 1.029 8.359 7.686 1.00 34.33 H new ATOM 0 HG23 VAL A 140 -0.086 7.830 6.404 1.00 34.33 H new ATOM 2291 N SER A 141 -2.591 11.848 6.614 1.00 1.51 N ATOM 2292 CA SER A 141 -3.157 13.199 6.449 1.00 63.35 C ATOM 2293 C SER A 141 -4.468 13.385 7.236 1.00 31.11 C ATOM 2294 O SER A 141 -5.136 14.412 7.103 1.00 42.21 O ATOM 2295 CB SER A 141 -3.399 13.490 4.961 1.00 33.30 C ATOM 2296 OG SER A 141 -4.258 12.523 4.377 1.00 64.05 O ATOM 0 H SER A 141 -3.039 11.131 6.044 1.00 1.51 H new ATOM 0 HA SER A 141 -2.430 13.904 6.852 1.00 63.35 H new ATOM 0 HB2 SER A 141 -3.836 14.482 4.849 1.00 33.30 H new ATOM 0 HB3 SER A 141 -2.447 13.500 4.431 1.00 33.30 H new ATOM 0 HG SER A 141 -3.778 11.674 4.282 1.00 64.05 H new ATOM 2302 N ALA A 142 -4.834 12.405 8.064 1.00 52.44 N ATOM 2303 CA ALA A 142 -6.096 12.477 8.823 1.00 1.22 C ATOM 2304 C ALA A 142 -5.919 12.222 10.331 1.00 34.52 C ATOM 2305 O ALA A 142 -6.866 12.398 11.096 1.00 15.35 O ATOM 2306 CB ALA A 142 -7.107 11.494 8.244 1.00 5.20 C ATOM 0 H ALA A 142 -4.287 11.560 8.229 1.00 52.44 H new ATOM 0 HA ALA A 142 -6.462 13.499 8.722 1.00 1.22 H new ATOM 0 HB1 ALA A 142 -8.037 11.553 8.810 1.00 5.20 H new ATOM 0 HB2 ALA A 142 -7.301 11.743 7.201 1.00 5.20 H new ATOM 0 HB3 ALA A 142 -6.707 10.482 8.307 1.00 5.20 H new ATOM 2312 N PHE A 143 -4.715 11.830 10.761 1.00 63.41 N ATOM 2313 CA PHE A 143 -4.469 11.474 12.174 1.00 34.15 C ATOM 2314 C PHE A 143 -4.919 12.579 13.157 1.00 72.02 C ATOM 2315 O PHE A 143 -5.323 12.288 14.285 1.00 53.32 O ATOM 2316 CB PHE A 143 -2.983 11.143 12.403 1.00 73.51 C ATOM 2317 CG PHE A 143 -2.044 12.323 12.273 1.00 13.32 C ATOM 2318 CD1 PHE A 143 -1.749 13.121 13.373 1.00 63.13 C ATOM 2319 CD2 PHE A 143 -1.451 12.629 11.058 1.00 14.04 C ATOM 2320 CE1 PHE A 143 -0.889 14.196 13.259 1.00 31.15 C ATOM 2321 CE2 PHE A 143 -0.589 13.704 10.940 1.00 62.40 C ATOM 2322 CZ PHE A 143 -0.308 14.489 12.042 1.00 10.03 C ATOM 0 H PHE A 143 -3.896 11.749 10.159 1.00 63.41 H new ATOM 0 HA PHE A 143 -5.074 10.591 12.379 1.00 34.15 H new ATOM 0 HB2 PHE A 143 -2.870 10.714 13.399 1.00 73.51 H new ATOM 0 HB3 PHE A 143 -2.682 10.376 11.689 1.00 73.51 H new ATOM 0 HD1 PHE A 143 -2.198 12.897 14.329 1.00 63.13 H new ATOM 0 HD2 PHE A 143 -1.665 12.020 10.192 1.00 14.04 H new ATOM 0 HE1 PHE A 143 -0.671 14.807 14.122 1.00 31.15 H new ATOM 0 HE2 PHE A 143 -0.135 13.930 9.986 1.00 62.40 H new ATOM 0 HZ PHE A 143 0.364 15.329 11.951 1.00 10.03 H new ATOM 2332 N THR A 144 -4.838 13.839 12.725 1.00 54.15 N ATOM 2333 CA THR A 144 -5.237 14.984 13.568 1.00 1.22 C ATOM 2334 C THR A 144 -6.750 15.251 13.507 1.00 33.03 C ATOM 2335 O THR A 144 -7.362 15.655 14.498 1.00 60.40 O ATOM 2336 CB THR A 144 -4.483 16.279 13.161 1.00 43.10 C ATOM 2337 OG1 THR A 144 -4.961 17.399 13.925 1.00 32.42 O ATOM 2338 CG2 THR A 144 -4.645 16.569 11.670 1.00 42.12 C ATOM 0 H THR A 144 -4.501 14.099 11.798 1.00 54.15 H new ATOM 0 HA THR A 144 -4.970 14.712 14.589 1.00 1.22 H new ATOM 0 HB THR A 144 -3.424 16.124 13.370 1.00 43.10 H new ATOM 0 HG1 THR A 144 -4.476 18.208 13.659 1.00 32.42 H new ATOM 0 HG21 THR A 144 -4.106 17.482 11.416 1.00 42.12 H new ATOM 0 HG22 THR A 144 -4.243 15.737 11.092 1.00 42.12 H new ATOM 0 HG23 THR A 144 -5.702 16.695 11.437 1.00 42.12 H new