USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 666 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 76 ASN : amide:sc= -8.55! C(o=-13!,f=-17!) USER MOD Set 1.2: A 77 SER OG : rot 168:sc= -4.21! USER MOD Set 2.1: A 9 MET CE :methyl -160:sc= -9.56! (180deg=-14.1!) USER MOD Set 2.2: A 16 SER OG : rot 180:sc= -0.867 USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= -0.265 USER MOD Set 3.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 161:sc= -5.61! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.933 USER MOD Single : A -1 ALA N :NH3+ -140:sc= 0.0269 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.95 USER MOD Single : A 21 CYS SG : rot 29:sc= 0.843 USER MOD Single : A 23 THR OG1 : rot -17:sc= 1.32 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 32 THR OG1 : rot 87:sc= -0.0425 USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= 0.137 (180deg=0.087) USER MOD Single : A 38 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.22) USER MOD Single : A 41 SER OG : rot 77:sc= 1.27 USER MOD Single : A 42 THR OG1 : rot -33:sc= 1.97 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -6.04! C(o=-9.5!,f=-6!) USER MOD Single : A 47 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.26) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0227 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 165:sc= 0.162 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -48:sc= -7.63! USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.67! USER MOD Single : A 60 SER OG : rot 180:sc= -0.447 USER MOD Single : A 61 SER OG : rot 170:sc= -1.62! USER MOD Single : A 69 ASN : amide:sc= -5.63! C(o=-5.6!,f=-8.6!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 76:sc= 1.27 USER MOD Single : A 80 LYS NZ :NH3+ -123:sc= -0.0189 (180deg=-0.273) USER MOD Single : A 81 GLN : amide:sc= -5.91! C(o=-5.9!,f=-9.9!) USER MOD Single : A 86 THR OG1 : rot 31:sc= 0.193 USER MOD ----------------------------------------------------------------- ATOM 81 N ALA A -1 19.519 0.462 6.341 1.00 0.00 N ATOM 82 CA ALA A -1 18.391 -0.503 6.220 1.00 0.00 C ATOM 83 C ALA A -1 17.160 0.196 5.634 1.00 0.00 C ATOM 84 O ALA A -1 17.274 1.092 4.822 1.00 0.00 O ATOM 85 CB ALA A -1 18.123 -0.971 7.651 1.00 0.00 C ATOM 0 H1 ALA A -1 20.407 -0.007 6.071 1.00 0.00 H new ATOM 0 H2 ALA A -1 19.351 1.273 5.712 1.00 0.00 H new ATOM 0 H3 ALA A -1 19.588 0.794 7.324 1.00 0.00 H new ATOM 0 HA ALA A -1 18.622 -1.337 5.557 1.00 0.00 H new ATOM 0 HB1 ALA A -1 17.302 -1.688 7.652 1.00 0.00 H new ATOM 0 HB2 ALA A -1 19.019 -1.445 8.053 1.00 0.00 H new ATOM 0 HB3 ALA A -1 17.857 -0.114 8.270 1.00 0.00 H new ATOM 91 N ALA A 0 15.985 -0.202 6.040 1.00 0.00 N ATOM 92 CA ALA A 0 14.753 0.448 5.504 1.00 0.00 C ATOM 93 C ALA A 0 13.719 0.646 6.611 1.00 0.00 C ATOM 94 O ALA A 0 13.377 -0.270 7.332 1.00 0.00 O ATOM 95 CB ALA A 0 14.196 -0.509 4.451 1.00 0.00 C ATOM 0 H ALA A 0 15.824 -0.947 6.718 1.00 0.00 H new ATOM 0 HA ALA A 0 14.980 1.430 5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 0 13.288 -0.087 4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 0 14.937 -0.657 3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 0 13.965 -1.467 4.916 1.00 0.00 H new ATOM 101 N ARG A 1 13.208 1.835 6.731 1.00 0.00 N ATOM 102 CA ARG A 1 12.177 2.108 7.767 1.00 0.00 C ATOM 103 C ARG A 1 11.016 2.865 7.123 1.00 0.00 C ATOM 104 O ARG A 1 10.917 2.946 5.915 1.00 0.00 O ATOM 105 CB ARG A 1 12.881 2.976 8.810 1.00 0.00 C ATOM 106 CG ARG A 1 13.385 4.262 8.151 1.00 0.00 C ATOM 107 CD ARG A 1 13.946 5.199 9.221 1.00 0.00 C ATOM 108 NE ARG A 1 15.409 5.261 8.948 1.00 0.00 N ATOM 109 CZ ARG A 1 16.257 4.828 9.839 1.00 0.00 C ATOM 110 NH1 ARG A 1 16.048 3.688 10.440 1.00 0.00 N ATOM 111 NH2 ARG A 1 17.315 5.534 10.131 1.00 0.00 N ATOM 0 H ARG A 1 13.461 2.636 6.152 1.00 0.00 H new ATOM 0 HA ARG A 1 11.771 1.202 8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.194 3.216 9.622 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.715 2.429 9.250 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.156 4.029 7.417 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.572 4.751 7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 1 13.490 6.187 9.159 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.747 4.819 10.223 1.00 0.00 H new ATOM 0 HE ARG A 1 15.747 5.642 8.064 1.00 0.00 H new ATOM 0 HH11 ARG A 1 15.221 3.136 10.213 1.00 0.00 H new ATOM 0 HH12 ARG A 1 16.712 3.350 11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 1 17.479 6.425 9.662 1.00 0.00 H new ATOM 0 HH22 ARG A 1 17.978 5.195 10.828 1.00 0.00 H new ATOM 125 N ILE A 2 10.146 3.431 7.907 1.00 0.00 N ATOM 126 CA ILE A 2 9.013 4.191 7.314 1.00 0.00 C ATOM 127 C ILE A 2 8.832 5.513 8.059 1.00 0.00 C ATOM 128 O ILE A 2 8.670 5.557 9.263 1.00 0.00 O ATOM 129 CB ILE A 2 7.787 3.276 7.445 1.00 0.00 C ATOM 130 CG1 ILE A 2 7.910 2.149 6.406 1.00 0.00 C ATOM 131 CG2 ILE A 2 6.504 4.080 7.186 1.00 0.00 C ATOM 132 CD1 ILE A 2 6.615 1.332 6.344 1.00 0.00 C ATOM 0 H ILE A 2 10.169 3.402 8.926 1.00 0.00 H new ATOM 0 HA ILE A 2 9.180 4.451 6.269 1.00 0.00 H new ATOM 0 HB ILE A 2 7.740 2.858 8.451 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.127 2.573 5.425 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.745 1.498 6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.638 3.424 7.281 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.428 4.888 7.913 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.534 4.499 6.180 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.720 0.539 5.604 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.415 0.892 7.321 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.787 1.983 6.063 1.00 0.00 H new ATOM 144 N LEU A 3 8.881 6.589 7.334 1.00 0.00 N ATOM 145 CA LEU A 3 8.737 7.936 7.943 1.00 0.00 C ATOM 146 C LEU A 3 7.261 8.335 7.994 1.00 0.00 C ATOM 147 O LEU A 3 6.793 8.926 8.946 1.00 0.00 O ATOM 148 CB LEU A 3 9.516 8.830 6.982 1.00 0.00 C ATOM 149 CG LEU A 3 9.441 10.282 7.429 1.00 0.00 C ATOM 150 CD1 LEU A 3 10.801 10.936 7.185 1.00 0.00 C ATOM 151 CD2 LEU A 3 8.366 11.004 6.612 1.00 0.00 C ATOM 0 H LEU A 3 9.018 6.593 6.323 1.00 0.00 H new ATOM 0 HA LEU A 3 9.101 7.998 8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.557 8.509 6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.111 8.732 5.975 1.00 0.00 H new ATOM 0 HG LEU A 3 9.187 10.341 8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.765 11.979 7.500 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.565 10.410 7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.044 10.886 6.124 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.307 12.046 6.928 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.622 10.960 5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.402 10.521 6.772 1.00 0.00 H new ATOM 163 N THR A 4 6.530 7.995 6.976 1.00 0.00 N ATOM 164 CA THR A 4 5.078 8.321 6.939 1.00 0.00 C ATOM 165 C THR A 4 4.313 7.131 6.360 1.00 0.00 C ATOM 166 O THR A 4 4.749 6.506 5.414 1.00 0.00 O ATOM 167 CB THR A 4 4.952 9.532 6.013 1.00 0.00 C ATOM 168 OG1 THR A 4 5.734 10.601 6.523 1.00 0.00 O ATOM 169 CG2 THR A 4 3.487 9.965 5.933 1.00 0.00 C ATOM 0 H THR A 4 6.879 7.499 6.156 1.00 0.00 H new ATOM 0 HA THR A 4 4.673 8.533 7.928 1.00 0.00 H new ATOM 0 HB THR A 4 5.306 9.265 5.017 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.905 11.250 5.809 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.398 10.828 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.886 9.145 5.541 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.131 10.231 6.928 1.00 0.00 H new ATOM 177 N LYS A 5 3.183 6.807 6.915 1.00 0.00 N ATOM 178 CA LYS A 5 2.411 5.659 6.389 1.00 0.00 C ATOM 179 C LYS A 5 1.170 6.165 5.647 1.00 0.00 C ATOM 180 O LYS A 5 0.862 7.339 5.688 1.00 0.00 O ATOM 181 CB LYS A 5 2.016 4.848 7.626 1.00 0.00 C ATOM 182 CG LYS A 5 3.269 4.493 8.429 1.00 0.00 C ATOM 183 CD LYS A 5 2.863 3.842 9.753 1.00 0.00 C ATOM 184 CE LYS A 5 3.947 4.100 10.801 1.00 0.00 C ATOM 185 NZ LYS A 5 4.395 2.746 11.231 1.00 0.00 N ATOM 0 H LYS A 5 2.763 7.289 7.710 1.00 0.00 H new ATOM 0 HA LYS A 5 2.981 5.058 5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.326 5.422 8.244 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.494 3.939 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.900 3.813 7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.858 5.390 8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.910 4.247 10.093 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.723 2.770 9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.773 4.675 10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.555 4.672 11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.140 2.839 11.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.589 2.225 11.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.769 2.227 10.411 1.00 0.00 H new ATOM 199 N PRO A 6 0.502 5.260 4.984 1.00 0.00 N ATOM 200 CA PRO A 6 -0.708 5.621 4.222 1.00 0.00 C ATOM 201 C PRO A 6 -1.934 5.625 5.139 1.00 0.00 C ATOM 202 O PRO A 6 -2.030 4.845 6.065 1.00 0.00 O ATOM 203 CB PRO A 6 -0.805 4.515 3.175 1.00 0.00 C ATOM 204 CG PRO A 6 -0.076 3.338 3.757 1.00 0.00 C ATOM 205 CD PRO A 6 0.802 3.831 4.884 1.00 0.00 C ATOM 0 HA PRO A 6 -0.663 6.616 3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.845 4.266 2.964 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.355 4.827 2.233 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.785 2.597 4.125 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.527 2.849 2.992 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.579 3.312 5.817 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.857 3.661 4.669 1.00 0.00 H new ATOM 213 N ARG A 7 -2.870 6.498 4.890 1.00 0.00 N ATOM 214 CA ARG A 7 -4.087 6.550 5.750 1.00 0.00 C ATOM 215 C ARG A 7 -5.159 5.611 5.196 1.00 0.00 C ATOM 216 O ARG A 7 -5.073 5.149 4.076 1.00 0.00 O ATOM 217 CB ARG A 7 -4.557 8.004 5.683 1.00 0.00 C ATOM 218 CG ARG A 7 -4.887 8.369 4.234 1.00 0.00 C ATOM 219 CD ARG A 7 -6.302 8.948 4.163 1.00 0.00 C ATOM 220 NE ARG A 7 -6.189 10.311 4.753 1.00 0.00 N ATOM 221 CZ ARG A 7 -5.666 11.282 4.055 1.00 0.00 C ATOM 222 NH1 ARG A 7 -6.388 11.912 3.169 1.00 0.00 N ATOM 223 NH2 ARG A 7 -4.420 11.624 4.244 1.00 0.00 N ATOM 0 H ARG A 7 -2.846 7.177 4.129 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.887 6.236 6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.436 8.142 6.313 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.781 8.666 6.068 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.166 9.095 3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.812 7.486 3.599 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.660 8.991 3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.009 8.333 4.721 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.520 10.485 5.702 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.362 11.646 3.022 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.979 12.671 2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.856 11.132 4.937 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.011 12.383 3.699 1.00 0.00 H new ATOM 237 N SER A 8 -6.165 5.318 5.971 1.00 0.00 N ATOM 238 CA SER A 8 -7.232 4.401 5.479 1.00 0.00 C ATOM 239 C SER A 8 -8.411 5.198 4.927 1.00 0.00 C ATOM 240 O SER A 8 -8.423 6.413 4.951 1.00 0.00 O ATOM 241 CB SER A 8 -7.676 3.599 6.697 1.00 0.00 C ATOM 242 OG SER A 8 -6.606 3.499 7.626 1.00 0.00 O ATOM 0 H SER A 8 -6.295 5.671 6.919 1.00 0.00 H new ATOM 0 HA SER A 8 -6.868 3.761 4.675 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.534 4.080 7.167 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.997 2.604 6.390 1.00 0.00 H new ATOM 0 HG SER A 8 -6.898 2.984 8.407 1.00 0.00 H new ATOM 248 N MET A 9 -9.403 4.517 4.429 1.00 0.00 N ATOM 249 CA MET A 9 -10.585 5.210 3.873 1.00 0.00 C ATOM 250 C MET A 9 -11.728 4.211 3.681 1.00 0.00 C ATOM 251 O MET A 9 -11.586 3.029 3.926 1.00 0.00 O ATOM 252 CB MET A 9 -10.112 5.733 2.527 1.00 0.00 C ATOM 253 CG MET A 9 -10.299 7.248 2.459 1.00 0.00 C ATOM 254 SD MET A 9 -11.907 7.630 1.726 1.00 0.00 S ATOM 255 CE MET A 9 -11.617 6.807 0.145 1.00 0.00 C ATOM 0 H MET A 9 -9.441 3.499 4.385 1.00 0.00 H new ATOM 0 HA MET A 9 -10.956 6.004 4.522 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.062 5.481 2.378 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.672 5.253 1.724 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.233 7.678 3.459 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.502 7.696 1.866 1.00 0.00 H new ATOM 0 HE1 MET A 9 -12.310 7.196 -0.600 1.00 0.00 H new ATOM 0 HE2 MET A 9 -10.593 6.993 -0.180 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.772 5.734 0.259 1.00 0.00 H new ATOM 265 N THR A 10 -12.855 4.677 3.237 1.00 0.00 N ATOM 266 CA THR A 10 -14.013 3.759 3.017 1.00 0.00 C ATOM 267 C THR A 10 -14.917 4.309 1.911 1.00 0.00 C ATOM 268 O THR A 10 -15.317 5.456 1.940 1.00 0.00 O ATOM 269 CB THR A 10 -14.753 3.722 4.352 1.00 0.00 C ATOM 270 OG1 THR A 10 -13.905 3.157 5.343 1.00 0.00 O ATOM 271 CG2 THR A 10 -16.017 2.872 4.214 1.00 0.00 C ATOM 0 H THR A 10 -13.031 5.657 3.014 1.00 0.00 H new ATOM 0 HA THR A 10 -13.698 2.764 2.703 1.00 0.00 H new ATOM 0 HB THR A 10 -15.031 4.735 4.644 1.00 0.00 H new ATOM 0 HG1 THR A 10 -14.376 3.133 6.202 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.544 2.846 5.168 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.665 3.305 3.452 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.743 1.858 3.923 1.00 0.00 H new ATOM 279 N VAL A 11 -15.239 3.509 0.932 1.00 0.00 N ATOM 280 CA VAL A 11 -16.110 3.999 -0.171 1.00 0.00 C ATOM 281 C VAL A 11 -16.932 2.844 -0.752 1.00 0.00 C ATOM 282 O VAL A 11 -17.168 1.848 -0.101 1.00 0.00 O ATOM 283 CB VAL A 11 -15.132 4.527 -1.217 1.00 0.00 C ATOM 284 CG1 VAL A 11 -14.267 5.637 -0.622 1.00 0.00 C ATOM 285 CG2 VAL A 11 -14.235 3.384 -1.689 1.00 0.00 C ATOM 0 H VAL A 11 -14.937 2.538 0.849 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.819 4.757 0.162 1.00 0.00 H new ATOM 0 HB VAL A 11 -15.695 4.931 -2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.574 6.004 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.905 6.455 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.704 5.245 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.534 3.756 -2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.681 2.982 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -14.849 2.597 -2.127 1.00 0.00 H new ATOM 295 N TYR A 12 -17.344 2.964 -1.986 1.00 0.00 N ATOM 296 CA TYR A 12 -18.112 1.866 -2.637 1.00 0.00 C ATOM 297 C TYR A 12 -17.123 0.997 -3.412 1.00 0.00 C ATOM 298 O TYR A 12 -17.287 -0.199 -3.547 1.00 0.00 O ATOM 299 CB TYR A 12 -19.076 2.565 -3.596 1.00 0.00 C ATOM 300 CG TYR A 12 -20.480 2.056 -3.373 1.00 0.00 C ATOM 301 CD1 TYR A 12 -21.128 2.298 -2.155 1.00 0.00 C ATOM 302 CD2 TYR A 12 -21.138 1.349 -4.388 1.00 0.00 C ATOM 303 CE1 TYR A 12 -22.433 1.834 -1.952 1.00 0.00 C ATOM 304 CE2 TYR A 12 -22.442 0.884 -4.184 1.00 0.00 C ATOM 305 CZ TYR A 12 -23.089 1.128 -2.967 1.00 0.00 C ATOM 306 OH TYR A 12 -24.376 0.672 -2.767 1.00 0.00 O ATOM 0 H TYR A 12 -17.180 3.781 -2.574 1.00 0.00 H new ATOM 0 HA TYR A 12 -18.651 1.233 -1.931 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -19.041 3.643 -3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -18.773 2.383 -4.627 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -20.621 2.843 -1.372 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -20.639 1.163 -5.328 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -22.933 2.021 -1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -22.949 0.337 -4.965 1.00 0.00 H new ATOM 0 HH TYR A 12 -24.685 0.203 -3.570 1.00 0.00 H new ATOM 316 N GLU A 13 -16.085 1.614 -3.911 1.00 0.00 N ATOM 317 CA GLU A 13 -15.040 0.877 -4.675 1.00 0.00 C ATOM 318 C GLU A 13 -13.689 1.591 -4.479 1.00 0.00 C ATOM 319 O GLU A 13 -13.133 1.572 -3.398 1.00 0.00 O ATOM 320 CB GLU A 13 -15.505 0.900 -6.141 1.00 0.00 C ATOM 321 CG GLU A 13 -15.942 2.316 -6.541 1.00 0.00 C ATOM 322 CD GLU A 13 -15.597 2.562 -8.011 1.00 0.00 C ATOM 323 OE1 GLU A 13 -14.440 2.836 -8.289 1.00 0.00 O ATOM 324 OE2 GLU A 13 -16.493 2.472 -8.833 1.00 0.00 O ATOM 0 H GLU A 13 -15.916 2.616 -3.819 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.906 -0.153 -4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.697 0.565 -6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.333 0.205 -6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.014 2.435 -6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.444 3.053 -5.911 1.00 0.00 H new ATOM 331 N GLY A 14 -13.150 2.228 -5.490 1.00 0.00 N ATOM 332 CA GLY A 14 -11.849 2.934 -5.311 1.00 0.00 C ATOM 333 C GLY A 14 -12.004 4.396 -5.742 1.00 0.00 C ATOM 334 O GLY A 14 -11.221 4.915 -6.514 1.00 0.00 O ATOM 0 H GLY A 14 -13.554 2.288 -6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.534 2.881 -4.269 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.074 2.448 -5.904 1.00 0.00 H new ATOM 338 N GLU A 15 -13.015 5.062 -5.255 1.00 0.00 N ATOM 339 CA GLU A 15 -13.228 6.487 -5.645 1.00 0.00 C ATOM 340 C GLU A 15 -12.069 7.366 -5.163 1.00 0.00 C ATOM 341 O GLU A 15 -11.127 7.617 -5.888 1.00 0.00 O ATOM 342 CB GLU A 15 -14.537 6.893 -4.967 1.00 0.00 C ATOM 343 CG GLU A 15 -15.714 6.221 -5.677 1.00 0.00 C ATOM 344 CD GLU A 15 -16.946 6.265 -4.772 1.00 0.00 C ATOM 345 OE1 GLU A 15 -17.040 5.424 -3.896 1.00 0.00 O ATOM 346 OE2 GLU A 15 -17.772 7.140 -4.971 1.00 0.00 O ATOM 0 H GLU A 15 -13.703 4.683 -4.604 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.274 6.610 -6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.519 6.603 -3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.652 7.976 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.923 6.729 -6.619 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.465 5.188 -5.920 1.00 0.00 H new ATOM 353 N SER A 16 -12.133 7.846 -3.951 1.00 0.00 N ATOM 354 CA SER A 16 -11.038 8.719 -3.435 1.00 0.00 C ATOM 355 C SER A 16 -10.109 7.930 -2.511 1.00 0.00 C ATOM 356 O SER A 16 -9.647 8.432 -1.505 1.00 0.00 O ATOM 357 CB SER A 16 -11.751 9.824 -2.658 1.00 0.00 C ATOM 358 OG SER A 16 -12.268 9.289 -1.448 1.00 0.00 O ATOM 0 H SER A 16 -12.895 7.672 -3.296 1.00 0.00 H new ATOM 0 HA SER A 16 -10.417 9.114 -4.239 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.059 10.638 -2.443 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.559 10.243 -3.258 1.00 0.00 H new ATOM 0 HG SER A 16 -12.725 9.996 -0.946 1.00 0.00 H new ATOM 364 N ALA A 17 -9.830 6.702 -2.841 1.00 0.00 N ATOM 365 CA ALA A 17 -8.929 5.885 -1.978 1.00 0.00 C ATOM 366 C ALA A 17 -7.469 6.065 -2.409 1.00 0.00 C ATOM 367 O ALA A 17 -6.869 5.179 -2.980 1.00 0.00 O ATOM 368 CB ALA A 17 -9.378 4.443 -2.199 1.00 0.00 C ATOM 0 H ALA A 17 -10.186 6.227 -3.670 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.986 6.177 -0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.763 3.774 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.422 4.338 -1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.270 4.186 -3.253 1.00 0.00 H new ATOM 374 N ARG A 18 -6.896 7.205 -2.129 1.00 0.00 N ATOM 375 CA ARG A 18 -5.472 7.443 -2.511 1.00 0.00 C ATOM 376 C ARG A 18 -4.581 7.337 -1.271 1.00 0.00 C ATOM 377 O ARG A 18 -4.936 7.797 -0.204 1.00 0.00 O ATOM 378 CB ARG A 18 -5.444 8.864 -3.075 1.00 0.00 C ATOM 379 CG ARG A 18 -5.028 8.825 -4.548 1.00 0.00 C ATOM 380 CD ARG A 18 -6.129 9.451 -5.405 1.00 0.00 C ATOM 381 NE ARG A 18 -5.997 8.800 -6.737 1.00 0.00 N ATOM 382 CZ ARG A 18 -6.096 9.513 -7.825 1.00 0.00 C ATOM 383 NH1 ARG A 18 -5.525 10.684 -7.892 1.00 0.00 N ATOM 384 NH2 ARG A 18 -6.765 9.052 -8.847 1.00 0.00 N ATOM 0 H ARG A 18 -7.352 7.983 -1.652 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.105 6.715 -3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.427 9.324 -2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.746 9.478 -2.506 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.092 9.366 -4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.851 7.796 -4.860 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.114 9.272 -4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.005 10.531 -5.480 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.829 7.796 -6.799 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.001 11.042 -7.094 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.603 11.241 -8.743 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.209 8.135 -8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.843 9.608 -9.698 1.00 0.00 H new ATOM 398 N PHE A 19 -3.432 6.726 -1.393 1.00 0.00 N ATOM 399 CA PHE A 19 -2.537 6.585 -0.200 1.00 0.00 C ATOM 400 C PHE A 19 -1.075 6.803 -0.580 1.00 0.00 C ATOM 401 O PHE A 19 -0.672 6.579 -1.702 1.00 0.00 O ATOM 402 CB PHE A 19 -2.733 5.145 0.287 1.00 0.00 C ATOM 403 CG PHE A 19 -4.204 4.859 0.432 1.00 0.00 C ATOM 404 CD1 PHE A 19 -4.972 5.614 1.321 1.00 0.00 C ATOM 405 CD2 PHE A 19 -4.801 3.853 -0.336 1.00 0.00 C ATOM 406 CE1 PHE A 19 -6.340 5.368 1.444 1.00 0.00 C ATOM 407 CE2 PHE A 19 -6.170 3.605 -0.212 1.00 0.00 C ATOM 408 CZ PHE A 19 -6.939 4.365 0.677 1.00 0.00 C ATOM 0 H PHE A 19 -3.074 6.321 -2.258 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.781 7.323 0.564 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.284 4.447 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.228 5.001 1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.507 6.388 1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.205 3.270 -1.023 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.935 5.952 2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.634 2.828 -0.801 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.998 4.176 0.770 1.00 0.00 H new ATOM 418 N SER A 20 -0.274 7.229 0.357 1.00 0.00 N ATOM 419 CA SER A 20 1.167 7.442 0.056 1.00 0.00 C ATOM 420 C SER A 20 2.006 7.261 1.318 1.00 0.00 C ATOM 421 O SER A 20 1.894 8.014 2.264 1.00 0.00 O ATOM 422 CB SER A 20 1.266 8.872 -0.465 1.00 0.00 C ATOM 423 OG SER A 20 0.093 9.185 -1.203 1.00 0.00 O ATOM 0 H SER A 20 -0.555 7.438 1.315 1.00 0.00 H new ATOM 0 HA SER A 20 1.543 6.725 -0.674 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.383 9.567 0.367 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.147 8.981 -1.097 1.00 0.00 H new ATOM 0 HG SER A 20 0.153 10.104 -1.538 1.00 0.00 H new ATOM 429 N CYS A 21 2.851 6.272 1.334 1.00 0.00 N ATOM 430 CA CYS A 21 3.705 6.047 2.528 1.00 0.00 C ATOM 431 C CYS A 21 5.151 6.413 2.203 1.00 0.00 C ATOM 432 O CYS A 21 5.738 5.892 1.282 1.00 0.00 O ATOM 433 CB CYS A 21 3.570 4.551 2.832 1.00 0.00 C ATOM 434 SG CYS A 21 4.170 3.570 1.433 1.00 0.00 S ATOM 0 H CYS A 21 2.987 5.609 0.571 1.00 0.00 H new ATOM 0 HA CYS A 21 3.409 6.657 3.381 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.137 4.302 3.729 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.527 4.307 3.036 1.00 0.00 H new ATOM 0 HG CYS A 21 5.092 4.234 0.801 1.00 0.00 H new ATOM 440 N ASP A 22 5.739 7.307 2.942 1.00 0.00 N ATOM 441 CA ASP A 22 7.148 7.679 2.642 1.00 0.00 C ATOM 442 C ASP A 22 8.076 6.771 3.436 1.00 0.00 C ATOM 443 O ASP A 22 7.838 6.494 4.589 1.00 0.00 O ATOM 444 CB ASP A 22 7.323 9.136 3.084 1.00 0.00 C ATOM 445 CG ASP A 22 6.092 9.971 2.703 1.00 0.00 C ATOM 446 OD1 ASP A 22 5.360 9.545 1.825 1.00 0.00 O ATOM 447 OD2 ASP A 22 5.905 11.019 3.299 1.00 0.00 O ATOM 0 H ASP A 22 5.313 7.792 3.732 1.00 0.00 H new ATOM 0 HA ASP A 22 7.381 7.570 1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.477 9.178 4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.213 9.558 2.618 1.00 0.00 H new ATOM 452 N THR A 23 9.127 6.305 2.838 1.00 0.00 N ATOM 453 CA THR A 23 10.062 5.418 3.584 1.00 0.00 C ATOM 454 C THR A 23 11.497 5.818 3.272 1.00 0.00 C ATOM 455 O THR A 23 11.852 6.042 2.141 1.00 0.00 O ATOM 456 CB THR A 23 9.803 3.985 3.095 1.00 0.00 C ATOM 457 OG1 THR A 23 10.452 3.787 1.848 1.00 0.00 O ATOM 458 CG2 THR A 23 8.302 3.722 2.934 1.00 0.00 C ATOM 0 H THR A 23 9.383 6.496 1.869 1.00 0.00 H new ATOM 0 HA THR A 23 9.908 5.496 4.660 1.00 0.00 H new ATOM 0 HB THR A 23 10.198 3.291 3.837 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.680 4.656 1.456 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.147 2.700 2.587 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.804 3.859 3.894 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.886 4.419 2.207 1.00 0.00 H new ATOM 466 N ASP A 24 12.320 5.909 4.267 1.00 0.00 N ATOM 467 CA ASP A 24 13.739 6.289 4.022 1.00 0.00 C ATOM 468 C ASP A 24 14.637 5.060 4.174 1.00 0.00 C ATOM 469 O ASP A 24 14.312 4.130 4.884 1.00 0.00 O ATOM 470 CB ASP A 24 14.059 7.325 5.091 1.00 0.00 C ATOM 471 CG ASP A 24 13.247 8.595 4.833 1.00 0.00 C ATOM 472 OD1 ASP A 24 12.034 8.535 4.965 1.00 0.00 O ATOM 473 OD2 ASP A 24 13.849 9.604 4.506 1.00 0.00 O ATOM 0 H ASP A 24 12.077 5.738 5.243 1.00 0.00 H new ATOM 0 HA ASP A 24 13.901 6.682 3.018 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.827 6.927 6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.125 7.554 5.082 1.00 0.00 H new ATOM 478 N GLY A 25 15.763 5.045 3.514 1.00 0.00 N ATOM 479 CA GLY A 25 16.670 3.868 3.629 1.00 0.00 C ATOM 480 C GLY A 25 17.523 3.738 2.365 1.00 0.00 C ATOM 481 O GLY A 25 17.267 4.375 1.362 1.00 0.00 O ATOM 0 H GLY A 25 16.093 5.793 2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.313 3.978 4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.085 2.961 3.777 1.00 0.00 H new ATOM 485 N GLU A 26 18.533 2.913 2.408 1.00 0.00 N ATOM 486 CA GLU A 26 19.411 2.730 1.212 1.00 0.00 C ATOM 487 C GLU A 26 19.809 1.244 1.085 1.00 0.00 C ATOM 488 O GLU A 26 20.012 0.587 2.087 1.00 0.00 O ATOM 489 CB GLU A 26 20.658 3.585 1.478 1.00 0.00 C ATOM 490 CG GLU A 26 20.257 4.981 1.971 1.00 0.00 C ATOM 491 CD GLU A 26 19.511 5.728 0.862 1.00 0.00 C ATOM 492 OE1 GLU A 26 19.716 5.395 -0.293 1.00 0.00 O ATOM 493 OE2 GLU A 26 18.749 6.623 1.189 1.00 0.00 O ATOM 0 H GLU A 26 18.791 2.355 3.222 1.00 0.00 H new ATOM 0 HA GLU A 26 18.911 3.023 0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 26 21.289 3.098 2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.249 3.671 0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 26 19.624 4.897 2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.144 5.541 2.266 1.00 0.00 H new ATOM 500 N PRO A 27 19.919 0.745 -0.133 1.00 0.00 N ATOM 501 CA PRO A 27 19.668 1.555 -1.356 1.00 0.00 C ATOM 502 C PRO A 27 18.166 1.782 -1.534 1.00 0.00 C ATOM 503 O PRO A 27 17.387 1.530 -0.637 1.00 0.00 O ATOM 504 CB PRO A 27 20.225 0.692 -2.484 1.00 0.00 C ATOM 505 CG PRO A 27 20.170 -0.708 -1.965 1.00 0.00 C ATOM 506 CD PRO A 27 20.290 -0.636 -0.464 1.00 0.00 C ATOM 0 HA PRO A 27 20.128 2.542 -1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 27 19.632 0.799 -3.392 1.00 0.00 H new ATOM 0 HB3 PRO A 27 21.246 0.980 -2.734 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.235 -1.188 -2.253 1.00 0.00 H new ATOM 0 HG3 PRO A 27 20.978 -1.306 -2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.628 -1.353 0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 27 21.304 -0.865 -0.135 1.00 0.00 H new ATOM 514 N VAL A 28 17.762 2.265 -2.679 1.00 0.00 N ATOM 515 CA VAL A 28 16.307 2.525 -2.927 1.00 0.00 C ATOM 516 C VAL A 28 15.446 1.358 -2.407 1.00 0.00 C ATOM 517 O VAL A 28 15.545 0.251 -2.897 1.00 0.00 O ATOM 518 CB VAL A 28 16.178 2.660 -4.440 1.00 0.00 C ATOM 519 CG1 VAL A 28 14.730 2.996 -4.796 1.00 0.00 C ATOM 520 CG2 VAL A 28 17.089 3.790 -4.920 1.00 0.00 C ATOM 0 H VAL A 28 18.378 2.493 -3.459 1.00 0.00 H new ATOM 0 HA VAL A 28 15.960 3.418 -2.408 1.00 0.00 H new ATOM 0 HB VAL A 28 16.465 1.724 -4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.634 3.093 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.075 2.199 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.447 3.935 -4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.002 3.893 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.793 4.724 -4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 28 18.122 3.560 -4.659 1.00 0.00 H new ATOM 530 N PRO A 29 14.644 1.646 -1.409 1.00 0.00 N ATOM 531 CA PRO A 29 13.778 0.606 -0.793 1.00 0.00 C ATOM 532 C PRO A 29 12.661 0.178 -1.751 1.00 0.00 C ATOM 533 O PRO A 29 12.472 0.751 -2.804 1.00 0.00 O ATOM 534 CB PRO A 29 13.197 1.311 0.432 1.00 0.00 C ATOM 535 CG PRO A 29 13.248 2.762 0.095 1.00 0.00 C ATOM 536 CD PRO A 29 14.464 2.953 -0.764 1.00 0.00 C ATOM 0 HA PRO A 29 14.323 -0.306 -0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.175 0.986 0.628 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.779 1.092 1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.346 3.070 -0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.311 3.369 0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.315 3.745 -1.498 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.335 3.229 -0.169 1.00 0.00 H new ATOM 544 N THR A 30 11.917 -0.826 -1.376 1.00 0.00 N ATOM 545 CA THR A 30 10.800 -1.308 -2.239 1.00 0.00 C ATOM 546 C THR A 30 9.494 -1.269 -1.442 1.00 0.00 C ATOM 547 O THR A 30 9.472 -0.852 -0.301 1.00 0.00 O ATOM 548 CB THR A 30 11.173 -2.747 -2.605 1.00 0.00 C ATOM 549 OG1 THR A 30 10.111 -3.343 -3.340 1.00 0.00 O ATOM 550 CG2 THR A 30 11.431 -3.553 -1.328 1.00 0.00 C ATOM 0 H THR A 30 12.036 -1.338 -0.502 1.00 0.00 H new ATOM 0 HA THR A 30 10.656 -0.696 -3.129 1.00 0.00 H new ATOM 0 HB THR A 30 12.076 -2.741 -3.216 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.352 -4.263 -3.575 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.696 -4.577 -1.591 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.249 -3.098 -0.770 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.531 -3.558 -0.713 1.00 0.00 H new ATOM 558 N VAL A 31 8.403 -1.694 -2.022 1.00 0.00 N ATOM 559 CA VAL A 31 7.119 -1.667 -1.268 1.00 0.00 C ATOM 560 C VAL A 31 6.279 -2.913 -1.561 1.00 0.00 C ATOM 561 O VAL A 31 6.321 -3.465 -2.642 1.00 0.00 O ATOM 562 CB VAL A 31 6.405 -0.380 -1.737 1.00 0.00 C ATOM 563 CG1 VAL A 31 5.442 -0.672 -2.900 1.00 0.00 C ATOM 564 CG2 VAL A 31 5.610 0.205 -0.570 1.00 0.00 C ATOM 0 H VAL A 31 8.346 -2.055 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 31 7.279 -1.668 -0.190 1.00 0.00 H new ATOM 0 HB VAL A 31 7.160 0.327 -2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.954 0.252 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.000 -1.086 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.688 -1.390 -2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.103 1.114 -0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.871 -0.522 -0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.288 0.440 0.250 1.00 0.00 H new ATOM 574 N THR A 32 5.487 -3.327 -0.618 1.00 0.00 N ATOM 575 CA THR A 32 4.613 -4.502 -0.857 1.00 0.00 C ATOM 576 C THR A 32 3.292 -4.305 -0.117 1.00 0.00 C ATOM 577 O THR A 32 3.226 -4.376 1.083 1.00 0.00 O ATOM 578 CB THR A 32 5.371 -5.712 -0.307 1.00 0.00 C ATOM 579 OG1 THR A 32 6.769 -5.461 -0.344 1.00 0.00 O ATOM 580 CG2 THR A 32 5.046 -6.946 -1.152 1.00 0.00 C ATOM 0 H THR A 32 5.407 -2.904 0.306 1.00 0.00 H new ATOM 0 HA THR A 32 4.383 -4.639 -1.914 1.00 0.00 H new ATOM 0 HB THR A 32 5.067 -5.889 0.725 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.040 -4.997 0.476 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.586 -7.808 -0.760 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.974 -7.141 -1.114 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.346 -6.769 -2.185 1.00 0.00 H new ATOM 588 N TRP A 33 2.238 -4.048 -0.825 1.00 0.00 N ATOM 589 CA TRP A 33 0.931 -3.834 -0.146 1.00 0.00 C ATOM 590 C TRP A 33 0.212 -5.167 0.036 1.00 0.00 C ATOM 591 O TRP A 33 -0.107 -5.828 -0.911 1.00 0.00 O ATOM 592 CB TRP A 33 0.164 -2.920 -1.089 1.00 0.00 C ATOM 593 CG TRP A 33 0.925 -1.643 -1.250 1.00 0.00 C ATOM 594 CD1 TRP A 33 1.949 -1.469 -2.101 1.00 0.00 C ATOM 595 CD2 TRP A 33 0.756 -0.383 -0.554 1.00 0.00 C ATOM 596 NE1 TRP A 33 2.424 -0.174 -1.981 1.00 0.00 N ATOM 597 CE2 TRP A 33 1.717 0.537 -1.036 1.00 0.00 C ATOM 598 CE3 TRP A 33 -0.132 0.042 0.435 1.00 0.00 C ATOM 599 CZ2 TRP A 33 1.790 1.843 -0.544 1.00 0.00 C ATOM 600 CZ3 TRP A 33 -0.065 1.353 0.937 1.00 0.00 C ATOM 601 CH2 TRP A 33 0.897 2.252 0.446 1.00 0.00 C ATOM 0 H TRP A 33 2.219 -3.976 -1.842 1.00 0.00 H new ATOM 0 HA TRP A 33 1.032 -3.401 0.849 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.030 -3.404 -2.057 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.831 -2.719 -0.693 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.340 -2.220 -2.772 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.200 0.206 -2.524 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.876 -0.641 0.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.531 2.529 -0.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.756 1.671 1.704 1.00 0.00 H new ATOM 0 HH2 TRP A 33 0.945 3.258 0.835 1.00 0.00 H new ATOM 612 N LEU A 34 -0.035 -5.578 1.245 1.00 0.00 N ATOM 613 CA LEU A 34 -0.742 -6.878 1.446 1.00 0.00 C ATOM 614 C LEU A 34 -1.495 -6.877 2.774 1.00 0.00 C ATOM 615 O LEU A 34 -1.129 -6.185 3.701 1.00 0.00 O ATOM 616 CB LEU A 34 0.344 -7.961 1.399 1.00 0.00 C ATOM 617 CG LEU A 34 1.227 -7.915 2.648 1.00 0.00 C ATOM 618 CD1 LEU A 34 1.717 -9.329 2.957 1.00 0.00 C ATOM 619 CD2 LEU A 34 2.429 -7.009 2.384 1.00 0.00 C ATOM 0 H LEU A 34 0.217 -5.079 2.098 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.493 -7.058 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.122 -8.943 1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.960 -7.824 0.510 1.00 0.00 H new ATOM 0 HG LEU A 34 0.658 -7.526 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.348 -9.309 3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.861 -9.980 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.292 -9.707 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.060 -6.974 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.004 -7.402 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.082 -6.004 2.146 1.00 0.00 H new ATOM 631 N ARG A 35 -2.549 -7.636 2.873 1.00 0.00 N ATOM 632 CA ARG A 35 -3.320 -7.658 4.137 1.00 0.00 C ATOM 633 C ARG A 35 -4.080 -8.977 4.268 1.00 0.00 C ATOM 634 O ARG A 35 -4.104 -9.605 5.308 1.00 0.00 O ATOM 635 CB ARG A 35 -4.289 -6.492 3.984 1.00 0.00 C ATOM 636 CG ARG A 35 -5.124 -6.365 5.251 1.00 0.00 C ATOM 637 CD ARG A 35 -6.363 -7.259 5.148 1.00 0.00 C ATOM 638 NE ARG A 35 -6.397 -8.015 6.431 1.00 0.00 N ATOM 639 CZ ARG A 35 -7.396 -7.861 7.256 1.00 0.00 C ATOM 640 NH1 ARG A 35 -8.609 -8.168 6.880 1.00 0.00 N ATOM 641 NH2 ARG A 35 -7.184 -7.400 8.458 1.00 0.00 N ATOM 0 H ARG A 35 -2.906 -8.240 2.133 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.694 -7.573 5.025 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.739 -5.568 3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.937 -6.652 3.122 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.530 -6.650 6.119 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.424 -5.327 5.397 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.268 -6.666 5.014 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.294 -7.933 4.294 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.638 -8.654 6.665 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.776 -8.529 5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.389 -8.047 7.526 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.237 -7.160 8.753 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.965 -7.280 9.103 1.00 0.00 H new ATOM 655 N LYS A 36 -4.698 -9.387 3.204 1.00 0.00 N ATOM 656 CA LYS A 36 -5.482 -10.659 3.197 1.00 0.00 C ATOM 657 C LYS A 36 -6.124 -10.824 1.822 1.00 0.00 C ATOM 658 O LYS A 36 -6.276 -11.919 1.318 1.00 0.00 O ATOM 659 CB LYS A 36 -6.562 -10.495 4.269 1.00 0.00 C ATOM 660 CG LYS A 36 -6.795 -11.835 4.971 1.00 0.00 C ATOM 661 CD LYS A 36 -7.071 -11.593 6.455 1.00 0.00 C ATOM 662 CE LYS A 36 -6.107 -12.430 7.299 1.00 0.00 C ATOM 663 NZ LYS A 36 -5.073 -11.467 7.771 1.00 0.00 N ATOM 0 H LYS A 36 -4.697 -8.887 2.315 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.863 -11.534 3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.257 -9.741 4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.489 -10.144 3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.637 -12.355 4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.922 -12.476 4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.952 -10.535 6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.102 -11.858 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.622 -12.899 8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.661 -13.231 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.251 -11.991 8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.775 -10.862 6.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.470 -10.876 8.529 1.00 0.00 H new ATOM 677 N GLY A 37 -6.498 -9.729 1.215 1.00 0.00 N ATOM 678 CA GLY A 37 -7.122 -9.780 -0.127 1.00 0.00 C ATOM 679 C GLY A 37 -6.029 -9.785 -1.193 1.00 0.00 C ATOM 680 O GLY A 37 -6.002 -8.928 -2.054 1.00 0.00 O ATOM 0 H GLY A 37 -6.393 -8.791 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.740 -10.673 -0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.779 -8.922 -0.268 1.00 0.00 H new ATOM 684 N GLN A 38 -5.104 -10.720 -1.123 1.00 0.00 N ATOM 685 CA GLN A 38 -3.989 -10.785 -2.092 1.00 0.00 C ATOM 686 C GLN A 38 -3.006 -9.690 -1.752 1.00 0.00 C ATOM 687 O GLN A 38 -3.328 -8.722 -1.094 1.00 0.00 O ATOM 688 CB GLN A 38 -4.578 -10.587 -3.500 1.00 0.00 C ATOM 689 CG GLN A 38 -3.612 -11.156 -4.543 1.00 0.00 C ATOM 690 CD GLN A 38 -3.670 -12.684 -4.516 1.00 0.00 C ATOM 691 OE1 GLN A 38 -4.707 -13.267 -4.757 1.00 0.00 O ATOM 692 NE2 GLN A 38 -2.589 -13.360 -4.233 1.00 0.00 N ATOM 0 H GLN A 38 -5.087 -11.452 -0.413 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.470 -11.743 -2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.545 -11.085 -3.575 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.750 -9.527 -3.688 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.875 -10.789 -5.535 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.597 -10.817 -4.337 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.718 -12.868 -4.031 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.615 -14.379 -4.214 1.00 0.00 H new ATOM 701 N VAL A 39 -1.808 -9.859 -2.173 1.00 0.00 N ATOM 702 CA VAL A 39 -0.746 -8.850 -1.879 1.00 0.00 C ATOM 703 C VAL A 39 -0.902 -7.563 -2.714 1.00 0.00 C ATOM 704 O VAL A 39 0.076 -6.896 -2.990 1.00 0.00 O ATOM 705 CB VAL A 39 0.577 -9.529 -2.236 1.00 0.00 C ATOM 706 CG1 VAL A 39 0.861 -10.658 -1.245 1.00 0.00 C ATOM 707 CG2 VAL A 39 0.508 -10.097 -3.658 1.00 0.00 C ATOM 0 H VAL A 39 -1.497 -10.662 -2.719 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.803 -8.544 -0.834 1.00 0.00 H new ATOM 0 HB VAL A 39 1.379 -8.793 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.804 -11.139 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.926 -10.249 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.056 -11.391 -1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.454 -10.579 -3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.298 -10.828 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.318 -9.288 -4.364 1.00 0.00 H new ATOM 717 N LEU A 40 -2.102 -7.196 -3.123 1.00 0.00 N ATOM 718 CA LEU A 40 -2.281 -5.944 -3.921 1.00 0.00 C ATOM 719 C LEU A 40 -1.225 -5.924 -5.048 1.00 0.00 C ATOM 720 O LEU A 40 -1.304 -6.691 -5.984 1.00 0.00 O ATOM 721 CB LEU A 40 -2.090 -4.773 -2.919 1.00 0.00 C ATOM 722 CG LEU A 40 -3.224 -4.736 -1.860 1.00 0.00 C ATOM 723 CD1 LEU A 40 -3.130 -5.926 -0.904 1.00 0.00 C ATOM 724 CD2 LEU A 40 -3.106 -3.465 -1.014 1.00 0.00 C ATOM 0 H LEU A 40 -2.961 -7.714 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.260 -5.870 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.127 -4.875 -2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.068 -3.828 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.171 -4.767 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.938 -5.871 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.214 -6.854 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.171 -5.902 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.905 -3.446 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.141 -3.453 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.188 -2.590 -1.659 1.00 0.00 H new ATOM 736 N SER A 41 -0.216 -5.100 -4.950 1.00 0.00 N ATOM 737 CA SER A 41 0.839 -5.092 -6.010 1.00 0.00 C ATOM 738 C SER A 41 0.211 -5.020 -7.406 1.00 0.00 C ATOM 739 O SER A 41 0.724 -5.574 -8.357 1.00 0.00 O ATOM 740 CB SER A 41 1.575 -6.417 -5.830 1.00 0.00 C ATOM 741 OG SER A 41 2.221 -6.423 -4.565 1.00 0.00 O ATOM 0 H SER A 41 -0.075 -4.436 -4.189 1.00 0.00 H new ATOM 0 HA SER A 41 1.500 -4.229 -5.922 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.874 -7.249 -5.898 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.307 -6.552 -6.626 1.00 0.00 H new ATOM 0 HG SER A 41 1.559 -6.586 -3.861 1.00 0.00 H new ATOM 747 N THR A 42 -0.892 -4.338 -7.534 1.00 0.00 N ATOM 748 CA THR A 42 -1.558 -4.218 -8.852 1.00 0.00 C ATOM 749 C THR A 42 -1.867 -5.599 -9.415 1.00 0.00 C ATOM 750 O THR A 42 -1.005 -6.316 -9.883 1.00 0.00 O ATOM 751 CB THR A 42 -0.612 -3.436 -9.780 1.00 0.00 C ATOM 752 OG1 THR A 42 0.149 -4.334 -10.576 1.00 0.00 O ATOM 753 CG2 THR A 42 0.341 -2.534 -8.989 1.00 0.00 C ATOM 0 H THR A 42 -1.363 -3.854 -6.770 1.00 0.00 H new ATOM 0 HA THR A 42 -2.507 -3.690 -8.760 1.00 0.00 H new ATOM 0 HB THR A 42 -1.232 -2.806 -10.418 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.330 -5.151 -10.066 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.993 -1.999 -9.680 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.237 -1.817 -8.406 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.946 -3.144 -8.318 1.00 0.00 H new ATOM 761 N SER A 43 -3.103 -5.965 -9.365 1.00 0.00 N ATOM 762 CA SER A 43 -3.520 -7.294 -9.888 1.00 0.00 C ATOM 763 C SER A 43 -4.552 -7.112 -11.003 1.00 0.00 C ATOM 764 O SER A 43 -4.503 -7.771 -12.021 1.00 0.00 O ATOM 765 CB SER A 43 -4.143 -8.014 -8.694 1.00 0.00 C ATOM 766 OG SER A 43 -4.316 -9.387 -9.015 1.00 0.00 O ATOM 0 H SER A 43 -3.859 -5.398 -8.980 1.00 0.00 H new ATOM 0 HA SER A 43 -2.686 -7.856 -10.309 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.503 -7.911 -7.818 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.103 -7.563 -8.443 1.00 0.00 H new ATOM 0 HG SER A 43 -4.714 -9.854 -8.251 1.00 0.00 H new ATOM 772 N ALA A 44 -5.487 -6.216 -10.813 1.00 0.00 N ATOM 773 CA ALA A 44 -6.539 -5.968 -11.855 1.00 0.00 C ATOM 774 C ALA A 44 -7.630 -5.048 -11.298 1.00 0.00 C ATOM 775 O ALA A 44 -8.283 -4.329 -12.028 1.00 0.00 O ATOM 776 CB ALA A 44 -7.135 -7.341 -12.191 1.00 0.00 C ATOM 0 H ALA A 44 -5.570 -5.640 -9.976 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.118 -5.485 -12.737 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.911 -7.226 -12.948 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.351 -7.995 -12.572 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.568 -7.780 -11.292 1.00 0.00 H new ATOM 782 N ARG A 45 -7.845 -5.080 -10.012 1.00 0.00 N ATOM 783 CA ARG A 45 -8.908 -4.221 -9.405 1.00 0.00 C ATOM 784 C ARG A 45 -8.280 -3.034 -8.667 1.00 0.00 C ATOM 785 O ARG A 45 -8.912 -2.020 -8.446 1.00 0.00 O ATOM 786 CB ARG A 45 -9.654 -5.123 -8.407 1.00 0.00 C ATOM 787 CG ARG A 45 -9.827 -6.535 -8.977 1.00 0.00 C ATOM 788 CD ARG A 45 -10.680 -7.371 -8.021 1.00 0.00 C ATOM 789 NE ARG A 45 -9.753 -8.408 -7.488 1.00 0.00 N ATOM 790 CZ ARG A 45 -9.984 -9.671 -7.716 1.00 0.00 C ATOM 791 NH1 ARG A 45 -11.141 -10.191 -7.407 1.00 0.00 N ATOM 792 NH2 ARG A 45 -9.056 -10.419 -8.249 1.00 0.00 N ATOM 0 H ARG A 45 -7.331 -5.664 -9.352 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.575 -3.816 -10.166 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.102 -5.170 -7.468 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.630 -4.694 -8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.301 -6.487 -9.957 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.853 -7.004 -9.117 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.090 -6.758 -7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.525 -7.825 -8.539 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.936 -8.130 -6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.866 -9.609 -6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.320 -11.179 -7.586 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.150 -10.015 -8.487 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.237 -11.407 -8.427 1.00 0.00 H new ATOM 806 N HIS A 46 -7.042 -3.159 -8.284 1.00 0.00 N ATOM 807 CA HIS A 46 -6.356 -2.044 -7.552 1.00 0.00 C ATOM 808 C HIS A 46 -5.129 -1.586 -8.345 1.00 0.00 C ATOM 809 O HIS A 46 -4.667 -2.273 -9.234 1.00 0.00 O ATOM 810 CB HIS A 46 -5.928 -2.618 -6.182 1.00 0.00 C ATOM 811 CG HIS A 46 -5.493 -4.047 -6.324 1.00 0.00 C ATOM 812 ND1 HIS A 46 -6.208 -5.217 -6.405 1.00 0.00 N flip ATOM 813 CD2 HIS A 46 -4.165 -4.401 -6.446 1.00 0.00 C flip ATOM 814 CE1 HIS A 46 -5.337 -6.283 -6.583 1.00 0.00 C flip ATOM 815 NE2 HIS A 46 -4.119 -5.738 -6.603 1.00 0.00 N flip ATOM 0 H HIS A 46 -6.468 -3.987 -8.444 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.012 -1.183 -7.426 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.113 -2.023 -5.770 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.758 -2.552 -5.478 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.319 -3.730 -6.420 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.590 -7.328 -6.684 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.257 -6.270 -6.723 1.00 0.00 H new ATOM 823 N GLN A 47 -4.598 -0.433 -8.038 1.00 0.00 N ATOM 824 CA GLN A 47 -3.406 0.055 -8.787 1.00 0.00 C ATOM 825 C GLN A 47 -2.408 0.689 -7.816 1.00 0.00 C ATOM 826 O GLN A 47 -2.684 1.693 -7.194 1.00 0.00 O ATOM 827 CB GLN A 47 -3.960 1.097 -9.767 1.00 0.00 C ATOM 828 CG GLN A 47 -2.814 1.887 -10.411 1.00 0.00 C ATOM 829 CD GLN A 47 -1.833 0.922 -11.080 1.00 0.00 C ATOM 830 OE1 GLN A 47 -2.232 0.055 -11.831 1.00 0.00 O ATOM 831 NE2 GLN A 47 -0.556 1.038 -10.838 1.00 0.00 N ATOM 0 H GLN A 47 -4.937 0.189 -7.304 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.876 -0.743 -9.306 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.548 0.602 -10.540 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.630 1.778 -9.243 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.210 2.586 -11.147 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.298 2.479 -9.655 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.221 1.766 -10.207 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.107 0.401 -11.280 1.00 0.00 H new ATOM 840 N VAL A 48 -1.249 0.112 -7.685 1.00 0.00 N ATOM 841 CA VAL A 48 -0.239 0.688 -6.758 1.00 0.00 C ATOM 842 C VAL A 48 0.965 1.203 -7.555 1.00 0.00 C ATOM 843 O VAL A 48 1.132 0.892 -8.718 1.00 0.00 O ATOM 844 CB VAL A 48 0.135 -0.470 -5.803 1.00 0.00 C ATOM 845 CG1 VAL A 48 1.383 -1.226 -6.282 1.00 0.00 C ATOM 846 CG2 VAL A 48 0.402 0.097 -4.412 1.00 0.00 C ATOM 0 H VAL A 48 -0.957 -0.732 -8.178 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.611 1.544 -6.195 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.699 -1.172 -5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.611 -2.031 -5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.197 -1.645 -7.271 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.228 -0.539 -6.332 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.666 -0.714 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.224 0.811 -4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.493 0.599 -4.046 1.00 0.00 H new ATOM 856 N THR A 49 1.805 1.973 -6.935 1.00 0.00 N ATOM 857 CA THR A 49 3.001 2.496 -7.655 1.00 0.00 C ATOM 858 C THR A 49 4.139 2.738 -6.663 1.00 0.00 C ATOM 859 O THR A 49 3.928 2.800 -5.471 1.00 0.00 O ATOM 860 CB THR A 49 2.545 3.810 -8.290 1.00 0.00 C ATOM 861 OG1 THR A 49 3.663 4.472 -8.861 1.00 0.00 O ATOM 862 CG2 THR A 49 1.911 4.697 -7.223 1.00 0.00 C ATOM 0 H THR A 49 1.720 2.266 -5.962 1.00 0.00 H new ATOM 0 HA THR A 49 3.374 1.798 -8.405 1.00 0.00 H new ATOM 0 HB THR A 49 1.812 3.604 -9.069 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.371 5.314 -9.270 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.586 5.634 -7.675 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.052 4.186 -6.789 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.642 4.906 -6.442 1.00 0.00 H new ATOM 870 N THR A 50 5.343 2.876 -7.142 1.00 0.00 N ATOM 871 CA THR A 50 6.488 3.113 -6.215 1.00 0.00 C ATOM 872 C THR A 50 7.559 3.959 -6.916 1.00 0.00 C ATOM 873 O THR A 50 7.712 3.904 -8.119 1.00 0.00 O ATOM 874 CB THR A 50 7.032 1.719 -5.883 1.00 0.00 C ATOM 875 OG1 THR A 50 5.990 0.758 -6.004 1.00 0.00 O ATOM 876 CG2 THR A 50 7.565 1.704 -4.451 1.00 0.00 C ATOM 0 H THR A 50 5.585 2.835 -8.132 1.00 0.00 H new ATOM 0 HA THR A 50 6.190 3.652 -5.316 1.00 0.00 H new ATOM 0 HB THR A 50 7.837 1.475 -6.576 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.340 -0.133 -5.793 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.951 0.712 -4.217 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.365 2.437 -4.353 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.759 1.952 -3.760 1.00 0.00 H new ATOM 884 N THR A 51 8.293 4.748 -6.177 1.00 0.00 N ATOM 885 CA THR A 51 9.340 5.598 -6.812 1.00 0.00 C ATOM 886 C THR A 51 10.667 5.481 -6.037 1.00 0.00 C ATOM 887 O THR A 51 11.057 4.404 -5.629 1.00 0.00 O ATOM 888 CB THR A 51 8.757 7.021 -6.760 1.00 0.00 C ATOM 889 OG1 THR A 51 9.515 7.879 -7.604 1.00 0.00 O ATOM 890 CG2 THR A 51 8.786 7.553 -5.325 1.00 0.00 C ATOM 0 H THR A 51 8.213 4.840 -5.164 1.00 0.00 H new ATOM 0 HA THR A 51 9.574 5.302 -7.835 1.00 0.00 H new ATOM 0 HB THR A 51 7.723 6.992 -7.105 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.141 8.784 -7.571 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.371 8.561 -5.302 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.193 6.901 -4.683 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.815 7.576 -4.966 1.00 0.00 H new ATOM 898 N LYS A 52 11.370 6.568 -5.842 1.00 0.00 N ATOM 899 CA LYS A 52 12.669 6.499 -5.110 1.00 0.00 C ATOM 900 C LYS A 52 12.514 5.735 -3.785 1.00 0.00 C ATOM 901 O LYS A 52 12.684 4.534 -3.737 1.00 0.00 O ATOM 902 CB LYS A 52 13.061 7.958 -4.869 1.00 0.00 C ATOM 903 CG LYS A 52 13.280 8.656 -6.212 1.00 0.00 C ATOM 904 CD LYS A 52 14.681 9.269 -6.247 1.00 0.00 C ATOM 905 CE LYS A 52 14.648 10.577 -7.041 1.00 0.00 C ATOM 906 NZ LYS A 52 14.781 11.650 -6.018 1.00 0.00 N ATOM 0 H LYS A 52 11.100 7.499 -6.158 1.00 0.00 H new ATOM 0 HA LYS A 52 13.432 5.962 -5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.279 8.467 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.970 8.007 -4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.163 7.943 -7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.528 9.432 -6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.033 9.456 -5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.383 8.572 -6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.461 10.620 -7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.717 10.677 -7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.767 12.579 -6.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.990 11.589 -5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.679 11.533 -5.507 1.00 0.00 H new ATOM 920 N TYR A 53 12.201 6.411 -2.708 1.00 0.00 N ATOM 921 CA TYR A 53 12.052 5.697 -1.407 1.00 0.00 C ATOM 922 C TYR A 53 10.628 5.834 -0.879 1.00 0.00 C ATOM 923 O TYR A 53 10.373 5.613 0.284 1.00 0.00 O ATOM 924 CB TYR A 53 12.995 6.390 -0.428 1.00 0.00 C ATOM 925 CG TYR A 53 14.378 6.538 -1.005 1.00 0.00 C ATOM 926 CD1 TYR A 53 14.627 7.475 -2.009 1.00 0.00 C ATOM 927 CD2 TYR A 53 15.416 5.740 -0.518 1.00 0.00 C ATOM 928 CE1 TYR A 53 15.915 7.615 -2.533 1.00 0.00 C ATOM 929 CE2 TYR A 53 16.707 5.877 -1.037 1.00 0.00 C ATOM 930 CZ TYR A 53 16.959 6.815 -2.046 1.00 0.00 C ATOM 931 OH TYR A 53 18.233 6.952 -2.561 1.00 0.00 O ATOM 0 H TYR A 53 12.044 7.418 -2.675 1.00 0.00 H new ATOM 0 HA TYR A 53 12.276 4.637 -1.527 1.00 0.00 H new ATOM 0 HB2 TYR A 53 12.599 7.373 -0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 53 13.045 5.817 0.498 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.823 8.093 -2.381 1.00 0.00 H new ATOM 0 HD2 TYR A 53 15.221 5.017 0.260 1.00 0.00 H new ATOM 0 HE1 TYR A 53 16.106 8.338 -3.312 1.00 0.00 H new ATOM 0 HE2 TYR A 53 17.509 5.260 -0.660 1.00 0.00 H new ATOM 0 HH TYR A 53 18.875 6.511 -1.967 1.00 0.00 H new ATOM 941 N LYS A 54 9.706 6.213 -1.704 1.00 0.00 N ATOM 942 CA LYS A 54 8.305 6.381 -1.210 1.00 0.00 C ATOM 943 C LYS A 54 7.325 5.697 -2.156 1.00 0.00 C ATOM 944 O LYS A 54 7.549 5.618 -3.343 1.00 0.00 O ATOM 945 CB LYS A 54 8.030 7.902 -1.148 1.00 0.00 C ATOM 946 CG LYS A 54 8.964 8.689 -2.084 1.00 0.00 C ATOM 947 CD LYS A 54 8.321 10.033 -2.433 1.00 0.00 C ATOM 948 CE LYS A 54 8.846 11.112 -1.484 1.00 0.00 C ATOM 949 NZ LYS A 54 8.869 12.360 -2.297 1.00 0.00 N ATOM 0 H LYS A 54 9.850 6.415 -2.693 1.00 0.00 H new ATOM 0 HA LYS A 54 8.179 5.926 -0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.993 8.096 -1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.160 8.254 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.929 8.849 -1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.153 8.117 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.548 10.300 -3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.236 9.961 -2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.200 11.220 -0.613 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.841 10.863 -1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.219 13.147 -1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.497 12.230 -3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.907 12.576 -2.629 1.00 0.00 H new ATOM 963 N SER A 55 6.241 5.195 -1.638 1.00 0.00 N ATOM 964 CA SER A 55 5.258 4.514 -2.513 1.00 0.00 C ATOM 965 C SER A 55 3.876 5.123 -2.353 1.00 0.00 C ATOM 966 O SER A 55 3.631 5.915 -1.471 1.00 0.00 O ATOM 967 CB SER A 55 5.232 3.063 -2.056 1.00 0.00 C ATOM 968 OG SER A 55 5.288 2.241 -3.201 1.00 0.00 O ATOM 0 H SER A 55 5.996 5.228 -0.648 1.00 0.00 H new ATOM 0 HA SER A 55 5.536 4.612 -3.562 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.076 2.856 -1.398 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.326 2.860 -1.486 1.00 0.00 H new ATOM 0 HG SER A 55 4.629 2.550 -3.858 1.00 0.00 H new ATOM 974 N THR A 56 2.974 4.738 -3.205 1.00 0.00 N ATOM 975 CA THR A 56 1.591 5.273 -3.125 1.00 0.00 C ATOM 976 C THR A 56 0.602 4.228 -3.634 1.00 0.00 C ATOM 977 O THR A 56 0.780 3.646 -4.688 1.00 0.00 O ATOM 978 CB THR A 56 1.594 6.501 -4.035 1.00 0.00 C ATOM 979 OG1 THR A 56 2.413 6.246 -5.164 1.00 0.00 O ATOM 980 CG2 THR A 56 2.154 7.698 -3.279 1.00 0.00 C ATOM 0 H THR A 56 3.136 4.071 -3.959 1.00 0.00 H new ATOM 0 HA THR A 56 1.295 5.523 -2.106 1.00 0.00 H new ATOM 0 HB THR A 56 0.574 6.714 -4.355 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.415 7.031 -5.750 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.155 8.572 -3.931 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.535 7.898 -2.404 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.174 7.482 -2.960 1.00 0.00 H new ATOM 988 N PHE A 57 -0.436 3.984 -2.888 1.00 0.00 N ATOM 989 CA PHE A 57 -1.435 2.976 -3.320 1.00 0.00 C ATOM 990 C PHE A 57 -2.776 3.651 -3.606 1.00 0.00 C ATOM 991 O PHE A 57 -3.354 4.283 -2.750 1.00 0.00 O ATOM 992 CB PHE A 57 -1.560 2.016 -2.137 1.00 0.00 C ATOM 993 CG PHE A 57 -2.598 0.960 -2.439 1.00 0.00 C ATOM 994 CD1 PHE A 57 -2.653 0.376 -3.710 1.00 0.00 C ATOM 995 CD2 PHE A 57 -3.496 0.556 -1.444 1.00 0.00 C ATOM 996 CE1 PHE A 57 -3.605 -0.608 -3.989 1.00 0.00 C ATOM 997 CE2 PHE A 57 -4.448 -0.433 -1.722 1.00 0.00 C ATOM 998 CZ PHE A 57 -4.502 -1.016 -2.996 1.00 0.00 C ATOM 0 H PHE A 57 -0.635 4.440 -1.998 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.137 2.462 -4.234 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.598 1.545 -1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.839 2.566 -1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.958 0.687 -4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.455 1.006 -0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.648 -1.054 -4.972 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.141 -0.747 -0.955 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.235 -1.779 -3.211 1.00 0.00 H new ATOM 1008 N GLU A 58 -3.282 3.513 -4.799 1.00 0.00 N ATOM 1009 CA GLU A 58 -4.591 4.144 -5.118 1.00 0.00 C ATOM 1010 C GLU A 58 -5.544 3.088 -5.688 1.00 0.00 C ATOM 1011 O GLU A 58 -5.235 2.414 -6.651 1.00 0.00 O ATOM 1012 CB GLU A 58 -4.275 5.248 -6.143 1.00 0.00 C ATOM 1013 CG GLU A 58 -4.033 4.651 -7.536 1.00 0.00 C ATOM 1014 CD GLU A 58 -5.358 4.604 -8.302 1.00 0.00 C ATOM 1015 OE1 GLU A 58 -6.225 5.407 -7.997 1.00 0.00 O ATOM 1016 OE2 GLU A 58 -5.485 3.767 -9.180 1.00 0.00 O ATOM 0 H GLU A 58 -2.849 2.994 -5.563 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.084 4.565 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.102 5.957 -6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.394 5.805 -5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.306 5.253 -8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.615 3.648 -7.447 1.00 0.00 H new ATOM 1023 N ILE A 59 -6.689 2.926 -5.097 1.00 0.00 N ATOM 1024 CA ILE A 59 -7.643 1.901 -5.607 1.00 0.00 C ATOM 1025 C ILE A 59 -8.742 2.569 -6.433 1.00 0.00 C ATOM 1026 O ILE A 59 -9.177 3.664 -6.137 1.00 0.00 O ATOM 1027 CB ILE A 59 -8.229 1.239 -4.358 1.00 0.00 C ATOM 1028 CG1 ILE A 59 -7.094 0.814 -3.415 1.00 0.00 C ATOM 1029 CG2 ILE A 59 -9.032 0.006 -4.770 1.00 0.00 C ATOM 1030 CD1 ILE A 59 -7.675 0.100 -2.192 1.00 0.00 C ATOM 0 H ILE A 59 -7.008 3.455 -4.285 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.157 1.173 -6.257 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.878 1.948 -3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.402 0.154 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.524 1.688 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.451 -0.468 -3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.840 0.305 -5.438 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.378 -0.699 -5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.865 -0.199 -1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.349 0.774 -1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.225 -0.784 -2.514 1.00 0.00 H new ATOM 1042 N SER A 60 -9.191 1.918 -7.469 1.00 0.00 N ATOM 1043 CA SER A 60 -10.262 2.515 -8.322 1.00 0.00 C ATOM 1044 C SER A 60 -11.109 1.416 -8.969 1.00 0.00 C ATOM 1045 O SER A 60 -12.287 1.288 -8.702 1.00 0.00 O ATOM 1046 CB SER A 60 -9.516 3.318 -9.384 1.00 0.00 C ATOM 1047 OG SER A 60 -8.676 4.269 -8.743 1.00 0.00 O ATOM 0 H SER A 60 -8.864 0.998 -7.764 1.00 0.00 H new ATOM 0 HA SER A 60 -10.948 3.137 -7.747 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.921 2.653 -10.010 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.225 3.824 -10.040 1.00 0.00 H new ATOM 0 HG SER A 60 -8.193 4.787 -9.420 1.00 0.00 H new ATOM 1053 N SER A 61 -10.517 0.621 -9.819 1.00 0.00 N ATOM 1054 CA SER A 61 -11.287 -0.470 -10.486 1.00 0.00 C ATOM 1055 C SER A 61 -11.875 -1.429 -9.443 1.00 0.00 C ATOM 1056 O SER A 61 -12.765 -2.204 -9.736 1.00 0.00 O ATOM 1057 CB SER A 61 -10.267 -1.184 -11.365 1.00 0.00 C ATOM 1058 OG SER A 61 -10.634 -2.550 -11.508 1.00 0.00 O ATOM 0 H SER A 61 -9.533 0.679 -10.081 1.00 0.00 H new ATOM 0 HA SER A 61 -12.129 -0.089 -11.064 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.217 -0.706 -12.343 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.274 -1.108 -10.922 1.00 0.00 H new ATOM 0 HG SER A 61 -10.076 -2.968 -12.196 1.00 0.00 H new ATOM 1064 N VAL A 62 -11.380 -1.384 -8.233 1.00 0.00 N ATOM 1065 CA VAL A 62 -11.898 -2.290 -7.161 1.00 0.00 C ATOM 1066 C VAL A 62 -13.429 -2.343 -7.165 1.00 0.00 C ATOM 1067 O VAL A 62 -14.099 -1.390 -7.511 1.00 0.00 O ATOM 1068 CB VAL A 62 -11.387 -1.674 -5.856 1.00 0.00 C ATOM 1069 CG1 VAL A 62 -11.811 -0.208 -5.779 1.00 0.00 C ATOM 1070 CG2 VAL A 62 -11.971 -2.434 -4.662 1.00 0.00 C ATOM 0 H VAL A 62 -10.634 -0.754 -7.938 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.561 -3.317 -7.302 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.299 -1.740 -5.832 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.446 0.228 -4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -11.391 0.337 -6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.899 -0.142 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.605 -1.992 -3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -13.059 -2.372 -4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.666 -3.479 -4.711 1.00 0.00 H new ATOM 1130 N GLU A 67 -12.653 -6.359 0.380 1.00 0.00 N ATOM 1131 CA GLU A 67 -12.582 -6.315 1.872 1.00 0.00 C ATOM 1132 C GLU A 67 -12.457 -4.887 2.396 1.00 0.00 C ATOM 1133 O GLU A 67 -12.594 -3.924 1.673 1.00 0.00 O ATOM 1134 CB GLU A 67 -11.341 -7.118 2.249 1.00 0.00 C ATOM 1135 CG GLU A 67 -11.752 -8.315 3.104 1.00 0.00 C ATOM 1136 CD GLU A 67 -10.598 -9.317 3.175 1.00 0.00 C ATOM 1137 OE1 GLU A 67 -9.782 -9.187 4.073 1.00 0.00 O ATOM 1138 OE2 GLU A 67 -10.549 -10.197 2.331 1.00 0.00 O ATOM 0 HA GLU A 67 -13.493 -6.723 2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.828 -7.458 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.640 -6.489 2.797 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.021 -7.983 4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.635 -8.792 2.679 1.00 0.00 H new ATOM 1145 N GLY A 68 -12.212 -4.769 3.669 1.00 0.00 N ATOM 1146 CA GLY A 68 -12.091 -3.438 4.311 1.00 0.00 C ATOM 1147 C GLY A 68 -10.657 -3.183 4.778 1.00 0.00 C ATOM 1148 O GLY A 68 -10.288 -2.067 5.007 1.00 0.00 O ATOM 0 H GLY A 68 -12.088 -5.558 4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.391 -2.662 3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.770 -3.377 5.161 1.00 0.00 H new ATOM 1152 N ASN A 69 -9.860 -4.206 4.956 1.00 0.00 N ATOM 1153 CA ASN A 69 -8.460 -3.999 5.446 1.00 0.00 C ATOM 1154 C ASN A 69 -7.398 -4.191 4.338 1.00 0.00 C ATOM 1155 O ASN A 69 -7.466 -5.106 3.541 1.00 0.00 O ATOM 1156 CB ASN A 69 -8.285 -5.050 6.535 1.00 0.00 C ATOM 1157 CG ASN A 69 -9.061 -4.633 7.784 1.00 0.00 C ATOM 1158 OD1 ASN A 69 -10.163 -4.130 7.689 1.00 0.00 O ATOM 1159 ND2 ASN A 69 -8.530 -4.823 8.959 1.00 0.00 N ATOM 0 H ASN A 69 -10.117 -5.178 4.783 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.317 -2.978 5.799 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.641 -6.017 6.180 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.228 -5.167 6.774 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.040 -4.549 9.799 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.605 -5.245 9.038 1.00 0.00 H new ATOM 1166 N TYR A 70 -6.400 -3.333 4.317 1.00 0.00 N ATOM 1167 CA TYR A 70 -5.289 -3.428 3.320 1.00 0.00 C ATOM 1168 C TYR A 70 -4.031 -2.835 3.966 1.00 0.00 C ATOM 1169 O TYR A 70 -4.128 -1.894 4.726 1.00 0.00 O ATOM 1170 CB TYR A 70 -5.728 -2.568 2.136 1.00 0.00 C ATOM 1171 CG TYR A 70 -6.470 -3.417 1.136 1.00 0.00 C ATOM 1172 CD1 TYR A 70 -5.921 -4.628 0.696 1.00 0.00 C ATOM 1173 CD2 TYR A 70 -7.709 -2.990 0.651 1.00 0.00 C ATOM 1174 CE1 TYR A 70 -6.617 -5.412 -0.234 1.00 0.00 C ATOM 1175 CE2 TYR A 70 -8.405 -3.772 -0.277 1.00 0.00 C ATOM 1176 CZ TYR A 70 -7.859 -4.984 -0.720 1.00 0.00 C ATOM 1177 OH TYR A 70 -8.545 -5.756 -1.637 1.00 0.00 O ATOM 0 H TYR A 70 -6.311 -2.553 4.968 1.00 0.00 H new ATOM 0 HA TYR A 70 -5.077 -4.450 3.005 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.367 -1.755 2.482 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.858 -2.111 1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.964 -4.957 1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.130 -2.056 0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.196 -6.346 -0.576 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.363 -3.442 -0.652 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.389 -5.315 -1.869 1.00 0.00 H new ATOM 1187 N SER A 71 -2.855 -3.346 3.702 1.00 0.00 N ATOM 1188 CA SER A 71 -1.660 -2.737 4.363 1.00 0.00 C ATOM 1189 C SER A 71 -0.428 -2.763 3.462 1.00 0.00 C ATOM 1190 O SER A 71 -0.512 -3.002 2.275 1.00 0.00 O ATOM 1191 CB SER A 71 -1.410 -3.544 5.640 1.00 0.00 C ATOM 1192 OG SER A 71 -2.178 -4.740 5.624 1.00 0.00 O ATOM 0 H SER A 71 -2.672 -4.132 3.079 1.00 0.00 H new ATOM 0 HA SER A 71 -1.849 -1.686 4.582 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.350 -3.785 5.725 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.672 -2.947 6.513 1.00 0.00 H new ATOM 0 HG SER A 71 -1.765 -5.386 5.013 1.00 0.00 H new ATOM 1198 N VAL A 72 0.715 -2.487 4.031 1.00 0.00 N ATOM 1199 CA VAL A 72 1.974 -2.456 3.230 1.00 0.00 C ATOM 1200 C VAL A 72 3.151 -2.913 4.087 1.00 0.00 C ATOM 1201 O VAL A 72 3.080 -2.926 5.292 1.00 0.00 O ATOM 1202 CB VAL A 72 2.118 -0.978 2.831 1.00 0.00 C ATOM 1203 CG1 VAL A 72 2.104 -0.117 4.087 1.00 0.00 C ATOM 1204 CG2 VAL A 72 3.428 -0.727 2.072 1.00 0.00 C ATOM 0 H VAL A 72 0.832 -2.280 5.023 1.00 0.00 H new ATOM 0 HA VAL A 72 1.952 -3.118 2.364 1.00 0.00 H new ATOM 0 HB VAL A 72 1.285 -0.720 2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.206 0.932 3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.163 -0.263 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.933 -0.404 4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.498 0.328 1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.273 -0.998 2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.445 -1.332 1.166 1.00 0.00 H new ATOM 1214 N VAL A 73 4.237 -3.266 3.466 1.00 0.00 N ATOM 1215 CA VAL A 73 5.442 -3.696 4.222 1.00 0.00 C ATOM 1216 C VAL A 73 6.664 -3.313 3.403 1.00 0.00 C ATOM 1217 O VAL A 73 7.019 -3.960 2.435 1.00 0.00 O ATOM 1218 CB VAL A 73 5.342 -5.215 4.411 1.00 0.00 C ATOM 1219 CG1 VAL A 73 4.230 -5.538 5.409 1.00 0.00 C ATOM 1220 CG2 VAL A 73 5.033 -5.892 3.084 1.00 0.00 C ATOM 0 H VAL A 73 4.343 -3.275 2.452 1.00 0.00 H new ATOM 0 HA VAL A 73 5.518 -3.221 5.200 1.00 0.00 H new ATOM 0 HB VAL A 73 6.296 -5.583 4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.162 -6.618 5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.453 -5.069 6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.281 -5.158 5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.965 -6.970 3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.085 -5.518 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.828 -5.674 2.370 1.00 0.00 H new ATOM 1230 N VAL A 74 7.272 -2.229 3.763 1.00 0.00 N ATOM 1231 CA VAL A 74 8.446 -1.732 3.008 1.00 0.00 C ATOM 1232 C VAL A 74 9.747 -2.337 3.570 1.00 0.00 C ATOM 1233 O VAL A 74 9.989 -2.326 4.761 1.00 0.00 O ATOM 1234 CB VAL A 74 8.342 -0.199 3.190 1.00 0.00 C ATOM 1235 CG1 VAL A 74 9.648 0.416 3.715 1.00 0.00 C ATOM 1236 CG2 VAL A 74 7.989 0.431 1.847 1.00 0.00 C ATOM 0 H VAL A 74 7.002 -1.655 4.562 1.00 0.00 H new ATOM 0 HA VAL A 74 8.462 -2.011 1.954 1.00 0.00 H new ATOM 0 HB VAL A 74 7.568 0.001 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.524 1.493 3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.894 -0.022 4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.454 0.214 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.913 1.512 1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.766 0.197 1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.035 0.035 1.499 1.00 0.00 H new ATOM 1246 N GLU A 75 10.578 -2.859 2.708 1.00 0.00 N ATOM 1247 CA GLU A 75 11.865 -3.465 3.162 1.00 0.00 C ATOM 1248 C GLU A 75 12.975 -3.108 2.168 1.00 0.00 C ATOM 1249 O GLU A 75 12.730 -2.468 1.166 1.00 0.00 O ATOM 1250 CB GLU A 75 11.612 -4.973 3.160 1.00 0.00 C ATOM 1251 CG GLU A 75 11.163 -5.410 1.768 1.00 0.00 C ATOM 1252 CD GLU A 75 11.566 -6.868 1.533 1.00 0.00 C ATOM 1253 OE1 GLU A 75 12.681 -7.217 1.884 1.00 0.00 O ATOM 1254 OE2 GLU A 75 10.753 -7.608 1.007 1.00 0.00 O ATOM 0 H GLU A 75 10.420 -2.892 1.701 1.00 0.00 H new ATOM 0 HA GLU A 75 12.177 -3.108 4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.519 -5.505 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.849 -5.226 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.083 -5.301 1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.616 -4.770 1.011 1.00 0.00 H new ATOM 1261 N ASN A 76 14.191 -3.518 2.422 1.00 0.00 N ATOM 1262 CA ASN A 76 15.288 -3.187 1.455 1.00 0.00 C ATOM 1263 C ASN A 76 16.449 -4.172 1.566 1.00 0.00 C ATOM 1264 O ASN A 76 16.307 -5.286 2.028 1.00 0.00 O ATOM 1265 CB ASN A 76 15.714 -1.738 1.794 1.00 0.00 C ATOM 1266 CG ASN A 76 16.916 -1.664 2.756 1.00 0.00 C ATOM 1267 OD1 ASN A 76 16.813 -2.013 3.913 1.00 0.00 O ATOM 1268 ND2 ASN A 76 18.056 -1.204 2.317 1.00 0.00 N ATOM 0 H ASN A 76 14.472 -4.058 3.240 1.00 0.00 H new ATOM 0 HA ASN A 76 14.952 -3.264 0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.964 -1.215 0.871 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.869 -1.213 2.239 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.856 -1.139 2.946 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.147 -0.909 1.345 1.00 0.00 H new ATOM 1275 N SER A 77 17.603 -3.748 1.140 1.00 0.00 N ATOM 1276 CA SER A 77 18.808 -4.623 1.203 1.00 0.00 C ATOM 1277 C SER A 77 18.964 -5.225 2.600 1.00 0.00 C ATOM 1278 O SER A 77 19.611 -6.238 2.780 1.00 0.00 O ATOM 1279 CB SER A 77 19.983 -3.700 0.890 1.00 0.00 C ATOM 1280 OG SER A 77 20.056 -2.678 1.879 1.00 0.00 O ATOM 0 H SER A 77 17.767 -2.822 0.746 1.00 0.00 H new ATOM 0 HA SER A 77 18.742 -5.458 0.506 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.912 -4.269 0.870 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.859 -3.257 -0.098 1.00 0.00 H new ATOM 0 HG SER A 77 20.909 -2.203 1.796 1.00 0.00 H new ATOM 1286 N GLU A 78 18.384 -4.611 3.588 1.00 0.00 N ATOM 1287 CA GLU A 78 18.511 -5.155 4.977 1.00 0.00 C ATOM 1288 C GLU A 78 17.476 -4.527 5.917 1.00 0.00 C ATOM 1289 O GLU A 78 17.647 -4.506 7.118 1.00 0.00 O ATOM 1290 CB GLU A 78 19.932 -4.801 5.432 1.00 0.00 C ATOM 1291 CG GLU A 78 20.242 -3.334 5.113 1.00 0.00 C ATOM 1292 CD GLU A 78 21.403 -3.255 4.119 1.00 0.00 C ATOM 1293 OE1 GLU A 78 21.635 -4.232 3.427 1.00 0.00 O ATOM 1294 OE2 GLU A 78 22.037 -2.214 4.062 1.00 0.00 O ATOM 0 H GLU A 78 17.829 -3.760 3.502 1.00 0.00 H new ATOM 0 HA GLU A 78 18.333 -6.230 4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 78 20.033 -4.977 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 78 20.653 -5.449 4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.360 -2.849 4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 78 20.497 -2.799 6.028 1.00 0.00 H new ATOM 1301 N GLY A 79 16.400 -4.024 5.380 1.00 0.00 N ATOM 1302 CA GLY A 79 15.350 -3.412 6.235 1.00 0.00 C ATOM 1303 C GLY A 79 14.044 -4.165 6.027 1.00 0.00 C ATOM 1304 O GLY A 79 13.959 -5.056 5.205 1.00 0.00 O ATOM 0 H GLY A 79 16.203 -4.011 4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.646 -3.453 7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.223 -2.360 5.981 1.00 0.00 H new ATOM 1308 N LYS A 80 13.016 -3.817 6.751 1.00 0.00 N ATOM 1309 CA LYS A 80 11.721 -4.525 6.564 1.00 0.00 C ATOM 1310 C LYS A 80 10.621 -3.898 7.429 1.00 0.00 C ATOM 1311 O LYS A 80 9.950 -4.580 8.177 1.00 0.00 O ATOM 1312 CB LYS A 80 11.985 -5.967 7.010 1.00 0.00 C ATOM 1313 CG LYS A 80 11.301 -6.938 6.046 1.00 0.00 C ATOM 1314 CD LYS A 80 9.794 -6.941 6.307 1.00 0.00 C ATOM 1315 CE LYS A 80 9.246 -8.358 6.121 1.00 0.00 C ATOM 1316 NZ LYS A 80 9.653 -9.092 7.352 1.00 0.00 N ATOM 0 H LYS A 80 13.017 -3.081 7.457 1.00 0.00 H new ATOM 0 HA LYS A 80 11.378 -4.466 5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.058 -6.160 7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.610 -6.119 8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.502 -6.645 5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.705 -7.942 6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.589 -6.590 7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.295 -6.254 5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.162 -8.350 6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.658 -8.827 5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.213 -9.928 7.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.226 -8.468 7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.805 -9.394 7.873 1.00 0.00 H new ATOM 1330 N GLN A 81 10.414 -2.612 7.329 1.00 0.00 N ATOM 1331 CA GLN A 81 9.339 -1.974 8.146 1.00 0.00 C ATOM 1332 C GLN A 81 8.023 -2.004 7.369 1.00 0.00 C ATOM 1333 O GLN A 81 7.986 -2.414 6.229 1.00 0.00 O ATOM 1334 CB GLN A 81 9.796 -0.536 8.385 1.00 0.00 C ATOM 1335 CG GLN A 81 8.897 0.101 9.445 1.00 0.00 C ATOM 1336 CD GLN A 81 9.573 1.346 10.015 1.00 0.00 C ATOM 1337 OE1 GLN A 81 10.784 1.402 10.122 1.00 0.00 O ATOM 1338 NE2 GLN A 81 8.837 2.355 10.389 1.00 0.00 N ATOM 0 H GLN A 81 10.937 -1.980 6.723 1.00 0.00 H new ATOM 0 HA GLN A 81 9.173 -2.493 9.090 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.835 -0.521 8.714 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.747 0.034 7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.935 0.366 9.007 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.698 -0.614 10.243 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.822 2.307 10.299 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.276 3.192 10.772 1.00 0.00 H new ATOM 1347 N GLU A 82 6.937 -1.604 7.977 1.00 0.00 N ATOM 1348 CA GLU A 82 5.627 -1.645 7.256 1.00 0.00 C ATOM 1349 C GLU A 82 4.659 -0.578 7.780 1.00 0.00 C ATOM 1350 O GLU A 82 5.010 0.287 8.557 1.00 0.00 O ATOM 1351 CB GLU A 82 5.077 -3.044 7.554 1.00 0.00 C ATOM 1352 CG GLU A 82 5.046 -3.277 9.068 1.00 0.00 C ATOM 1353 CD GLU A 82 6.074 -4.347 9.442 1.00 0.00 C ATOM 1354 OE1 GLU A 82 5.933 -5.465 8.977 1.00 0.00 O ATOM 1355 OE2 GLU A 82 6.986 -4.028 10.186 1.00 0.00 O ATOM 0 H GLU A 82 6.898 -1.253 8.934 1.00 0.00 H new ATOM 0 HA GLU A 82 5.747 -1.447 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.074 -3.146 7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.699 -3.799 7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.265 -2.348 9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.049 -3.591 9.378 1.00 0.00 H new ATOM 1362 N ALA A 83 3.430 -0.665 7.353 1.00 0.00 N ATOM 1363 CA ALA A 83 2.382 0.295 7.792 1.00 0.00 C ATOM 1364 C ALA A 83 1.034 -0.424 7.731 1.00 0.00 C ATOM 1365 O ALA A 83 0.852 -1.325 6.936 1.00 0.00 O ATOM 1366 CB ALA A 83 2.437 1.439 6.779 1.00 0.00 C ATOM 0 H ALA A 83 3.102 -1.379 6.703 1.00 0.00 H new ATOM 0 HA ALA A 83 2.525 0.668 8.806 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.690 2.190 7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.428 1.893 6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.232 1.051 5.781 1.00 0.00 H new ATOM 1372 N GLU A 84 0.094 -0.067 8.562 1.00 0.00 N ATOM 1373 CA GLU A 84 -1.210 -0.786 8.520 1.00 0.00 C ATOM 1374 C GLU A 84 -2.390 0.181 8.378 1.00 0.00 C ATOM 1375 O GLU A 84 -2.362 1.301 8.847 1.00 0.00 O ATOM 1376 CB GLU A 84 -1.291 -1.535 9.849 1.00 0.00 C ATOM 1377 CG GLU A 84 -0.604 -2.897 9.715 1.00 0.00 C ATOM 1378 CD GLU A 84 -1.393 -3.781 8.745 1.00 0.00 C ATOM 1379 OE1 GLU A 84 -2.527 -3.443 8.450 1.00 0.00 O ATOM 1380 OE2 GLU A 84 -0.847 -4.782 8.309 1.00 0.00 O ATOM 0 H GLU A 84 0.169 0.677 9.256 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.266 -1.452 7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.813 -0.952 10.636 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.333 -1.669 10.139 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.416 -2.766 9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.538 -3.379 10.690 1.00 0.00 H new ATOM 1387 N PHE A 85 -3.431 -0.273 7.738 1.00 0.00 N ATOM 1388 CA PHE A 85 -4.650 0.563 7.547 1.00 0.00 C ATOM 1389 C PHE A 85 -5.733 -0.309 6.919 1.00 0.00 C ATOM 1390 O PHE A 85 -5.497 -1.456 6.602 1.00 0.00 O ATOM 1391 CB PHE A 85 -4.239 1.694 6.597 1.00 0.00 C ATOM 1392 CG PHE A 85 -3.766 1.129 5.276 1.00 0.00 C ATOM 1393 CD1 PHE A 85 -4.698 0.715 4.314 1.00 0.00 C ATOM 1394 CD2 PHE A 85 -2.396 1.036 5.005 1.00 0.00 C ATOM 1395 CE1 PHE A 85 -4.257 0.206 3.084 1.00 0.00 C ATOM 1396 CE2 PHE A 85 -1.956 0.529 3.775 1.00 0.00 C ATOM 1397 CZ PHE A 85 -2.886 0.115 2.815 1.00 0.00 C ATOM 0 H PHE A 85 -3.490 -1.207 7.331 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.039 0.971 8.480 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.083 2.363 6.432 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.445 2.288 7.051 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.756 0.788 4.520 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.677 1.355 5.745 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.975 -0.116 2.344 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.898 0.458 3.568 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.546 -0.275 1.867 1.00 0.00 H new ATOM 1407 N THR A 86 -6.915 0.200 6.740 1.00 0.00 N ATOM 1408 CA THR A 86 -7.972 -0.644 6.127 1.00 0.00 C ATOM 1409 C THR A 86 -8.808 0.146 5.125 1.00 0.00 C ATOM 1410 O THR A 86 -9.311 1.214 5.412 1.00 0.00 O ATOM 1411 CB THR A 86 -8.823 -1.150 7.295 1.00 0.00 C ATOM 1412 OG1 THR A 86 -9.383 -0.048 7.993 1.00 0.00 O ATOM 1413 CG2 THR A 86 -7.949 -1.976 8.236 1.00 0.00 C ATOM 0 H THR A 86 -7.193 1.150 6.987 1.00 0.00 H new ATOM 0 HA THR A 86 -7.543 -1.470 5.560 1.00 0.00 H new ATOM 0 HB THR A 86 -9.632 -1.774 6.915 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.543 0.689 7.367 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.552 -2.338 9.069 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.532 -2.825 7.694 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.138 -1.356 8.618 1.00 0.00 H new ATOM 1421 N LEU A 87 -8.984 -0.400 3.951 1.00 0.00 N ATOM 1422 CA LEU A 87 -9.812 0.282 2.927 1.00 0.00 C ATOM 1423 C LEU A 87 -11.010 -0.589 2.614 1.00 0.00 C ATOM 1424 O LEU A 87 -10.877 -1.774 2.388 1.00 0.00 O ATOM 1425 CB LEU A 87 -8.924 0.426 1.696 1.00 0.00 C ATOM 1426 CG LEU A 87 -8.527 1.887 1.541 1.00 0.00 C ATOM 1427 CD1 LEU A 87 -9.789 2.754 1.456 1.00 0.00 C ATOM 1428 CD2 LEU A 87 -7.688 2.296 2.757 1.00 0.00 C ATOM 0 H LEU A 87 -8.586 -1.293 3.661 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.173 1.254 3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.035 -0.197 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.454 0.083 0.807 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.945 2.026 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.505 3.800 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.384 2.447 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.376 2.632 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.395 3.342 2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.276 2.165 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.796 1.672 2.810 1.00 0.00 H new ATOM 1440 N THR A 88 -12.181 -0.027 2.618 1.00 0.00 N ATOM 1441 CA THR A 88 -13.376 -0.866 2.344 1.00 0.00 C ATOM 1442 C THR A 88 -14.214 -0.330 1.200 1.00 0.00 C ATOM 1443 O THR A 88 -13.987 0.738 0.663 1.00 0.00 O ATOM 1444 CB THR A 88 -14.188 -0.870 3.639 1.00 0.00 C ATOM 1445 OG1 THR A 88 -13.341 -0.592 4.747 1.00 0.00 O ATOM 1446 CG2 THR A 88 -14.831 -2.247 3.817 1.00 0.00 C ATOM 0 H THR A 88 -12.363 0.961 2.796 1.00 0.00 H new ATOM 0 HA THR A 88 -13.070 -1.867 2.041 1.00 0.00 H new ATOM 0 HB THR A 88 -14.960 -0.103 3.586 1.00 0.00 H new ATOM 0 HG1 THR A 88 -13.870 -0.595 5.572 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.413 -2.260 4.739 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.486 -2.455 2.971 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.053 -3.008 3.868 1.00 0.00 H new ATOM 1454 N ILE A 89 -15.190 -1.101 0.834 1.00 0.00 N ATOM 1455 CA ILE A 89 -16.088 -0.727 -0.277 1.00 0.00 C ATOM 1456 C ILE A 89 -17.537 -0.784 0.210 1.00 0.00 C ATOM 1457 O ILE A 89 -17.808 -0.652 1.386 1.00 0.00 O ATOM 1458 CB ILE A 89 -15.824 -1.769 -1.376 1.00 0.00 C ATOM 1459 CG1 ILE A 89 -15.819 -3.193 -0.761 1.00 0.00 C ATOM 1460 CG2 ILE A 89 -14.486 -1.453 -2.061 1.00 0.00 C ATOM 1461 CD1 ILE A 89 -14.440 -3.550 -0.216 1.00 0.00 C ATOM 0 H ILE A 89 -15.406 -1.997 1.271 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.913 0.283 -0.648 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.615 -1.730 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.556 -3.249 0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -16.114 -3.920 -1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.294 -2.189 -2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.530 -0.458 -2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.683 -1.487 -1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.465 -4.553 0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.710 -3.517 -1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.158 -2.835 0.557 1.00 0.00 H new