USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 48 LYS NZ :NH3+ -171:sc= 0.0613 (180deg=-0.176) USER MOD Set 1.2: A 59 TYR OH : rot 90:sc= -0.474 USER MOD Set 2.1: A 7 THR OG1 : rot -151:sc= 0.921 USER MOD Set 2.2: A 9 THR OG1 : rot -34:sc= -0.696 USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0373) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.39 (180deg=-0.36) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -74:sc= 2 USER MOD Single : A 20 SER OG : rot -45:sc= 0.423 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 25 ASN : amide:sc= -0.0221 K(o=-0.022,f=-1.2!) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0.181 (180deg=0.163) USER MOD Single : A 29 LYS NZ :NH3+ -157:sc= -0.171 (180deg=-1.1) USER MOD Single : A 31 GLN :FLIP amide:sc= -1.06 F(o=-2.6!,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.331) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 41 GLN : amide:sc= -2.72 X(o=-2.7,f=-3.1) USER MOD Single : A 49 GLN : amide:sc= -0.0799 X(o=-0.08,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00776 USER MOD Single : A 57 SER OG : rot 21:sc= 0.157 USER MOD Single : A 60 ASN :FLIP amide:sc= 0.476 F(o=-1,f=0.48) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= -0.0203 (180deg=-0.27) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.116 31.144 2.231 1.00 0.00 N ATOM 2 CA MET A 1 32.612 32.271 3.067 1.00 0.00 C ATOM 3 C MET A 1 33.342 32.270 4.404 1.00 0.00 C ATOM 4 O MET A 1 33.617 31.213 4.974 1.00 0.00 O ATOM 5 CB MET A 1 31.106 32.110 3.291 1.00 0.00 C ATOM 6 CG MET A 1 30.813 30.720 3.861 1.00 0.00 C ATOM 7 SD MET A 1 29.020 30.494 4.009 1.00 0.00 S ATOM 8 CE MET A 1 28.818 31.157 5.684 1.00 0.00 C ATOM 0 H1 MET A 1 32.445 30.958 1.458 1.00 0.00 H new ATOM 0 H2 MET A 1 34.043 31.395 1.832 1.00 0.00 H new ATOM 0 H3 MET A 1 33.212 30.291 2.819 1.00 0.00 H new ATOM 0 HA MET A 1 32.795 33.217 2.558 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.747 32.877 3.977 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.572 32.248 2.351 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.235 29.953 3.212 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.286 30.608 4.836 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.793 30.994 6.019 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.506 30.650 6.361 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.033 32.225 5.681 1.00 0.00 H new ATOM 20 N GLN A 2 33.651 33.464 4.909 1.00 0.00 N ATOM 21 CA GLN A 2 34.350 33.601 6.187 1.00 0.00 C ATOM 22 C GLN A 2 33.451 34.279 7.217 1.00 0.00 C ATOM 23 O GLN A 2 32.550 35.039 6.866 1.00 0.00 O ATOM 24 CB GLN A 2 35.618 34.440 5.989 1.00 0.00 C ATOM 25 CG GLN A 2 35.238 35.834 5.482 1.00 0.00 C ATOM 26 CD GLN A 2 36.496 36.620 5.127 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.391 36.095 4.466 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.619 37.856 5.531 1.00 0.00 N ATOM 0 H GLN A 2 33.429 34.349 4.454 1.00 0.00 H new ATOM 0 HA GLN A 2 34.615 32.608 6.549 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.164 34.520 6.929 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.282 33.951 5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 2 34.593 35.749 4.607 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.670 36.366 6.246 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.876 38.290 6.079 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.458 38.387 5.299 1.00 0.00 H new ATOM 37 N ILE A 3 33.722 34.009 8.491 1.00 0.00 N ATOM 38 CA ILE A 3 32.955 34.611 9.581 1.00 0.00 C ATOM 39 C ILE A 3 33.823 34.743 10.821 1.00 0.00 C ATOM 40 O ILE A 3 34.920 34.190 10.890 1.00 0.00 O ATOM 41 CB ILE A 3 31.693 33.794 9.911 1.00 0.00 C ATOM 42 CG1 ILE A 3 32.055 32.302 10.048 1.00 0.00 C ATOM 43 CG2 ILE A 3 30.642 34.000 8.809 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.788 31.445 10.003 1.00 0.00 C ATOM 0 H ILE A 3 34.465 33.379 8.795 1.00 0.00 H new ATOM 0 HA ILE A 3 32.636 35.600 9.251 1.00 0.00 H new ATOM 0 HB ILE A 3 31.276 34.135 10.859 1.00 0.00 H new ATOM 0 HG12 ILE A 3 32.730 32.009 9.244 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.584 32.133 10.986 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.749 33.421 9.045 1.00 0.00 H new ATOM 0 HG22 ILE A 3 30.383 35.057 8.747 1.00 0.00 H new ATOM 0 HG23 ILE A 3 31.048 33.669 7.853 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.057 30.393 10.101 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.128 31.729 10.823 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.276 31.602 9.054 1.00 0.00 H new ATOM 56 N PHE A 4 33.318 35.486 11.799 1.00 0.00 N ATOM 57 CA PHE A 4 34.042 35.704 13.049 1.00 0.00 C ATOM 58 C PHE A 4 33.355 34.974 14.195 1.00 0.00 C ATOM 59 O PHE A 4 32.127 34.908 14.253 1.00 0.00 O ATOM 60 CB PHE A 4 34.086 37.198 13.364 1.00 0.00 C ATOM 61 CG PHE A 4 34.745 37.943 12.227 1.00 0.00 C ATOM 62 CD1 PHE A 4 33.976 38.388 11.145 1.00 0.00 C ATOM 63 CD2 PHE A 4 36.121 38.197 12.260 1.00 0.00 C ATOM 64 CE1 PHE A 4 34.584 39.087 10.095 1.00 0.00 C ATOM 65 CE2 PHE A 4 36.729 38.895 11.210 1.00 0.00 C ATOM 66 CZ PHE A 4 35.961 39.341 10.128 1.00 0.00 C ATOM 0 H PHE A 4 32.410 35.948 11.752 1.00 0.00 H new ATOM 0 HA PHE A 4 35.055 35.318 12.935 1.00 0.00 H new ATOM 0 HB2 PHE A 4 33.076 37.576 13.521 1.00 0.00 H new ATOM 0 HB3 PHE A 4 34.637 37.368 14.289 1.00 0.00 H new ATOM 0 HD1 PHE A 4 32.914 38.192 11.120 1.00 0.00 H new ATOM 0 HD2 PHE A 4 36.714 37.855 13.095 1.00 0.00 H new ATOM 0 HE1 PHE A 4 33.991 39.430 9.260 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.791 39.090 11.235 1.00 0.00 H new ATOM 0 HZ PHE A 4 36.430 39.881 9.319 1.00 0.00 H new ATOM 76 N VAL A 5 34.155 34.442 15.118 1.00 0.00 N ATOM 77 CA VAL A 5 33.626 33.736 16.282 1.00 0.00 C ATOM 78 C VAL A 5 34.045 34.470 17.546 1.00 0.00 C ATOM 79 O VAL A 5 35.215 34.806 17.730 1.00 0.00 O ATOM 80 CB VAL A 5 34.141 32.291 16.304 1.00 0.00 C ATOM 81 CG1 VAL A 5 33.889 31.665 17.683 1.00 0.00 C ATOM 82 CG2 VAL A 5 33.391 31.478 15.244 1.00 0.00 C ATOM 0 H VAL A 5 35.173 34.487 15.081 1.00 0.00 H new ATOM 0 HA VAL A 5 32.538 33.709 16.228 1.00 0.00 H new ATOM 0 HB VAL A 5 35.211 32.287 16.096 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.258 30.639 17.690 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.411 32.243 18.446 1.00 0.00 H new ATOM 0 HG13 VAL A 5 32.820 31.668 17.894 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.751 30.449 15.253 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.323 31.491 15.464 1.00 0.00 H new ATOM 0 HG23 VAL A 5 33.564 31.915 14.260 1.00 0.00 H new ATOM 92 N LYS A 6 33.068 34.720 18.402 1.00 0.00 N ATOM 93 CA LYS A 6 33.302 35.431 19.655 1.00 0.00 C ATOM 94 C LYS A 6 33.161 34.484 20.844 1.00 0.00 C ATOM 95 O LYS A 6 32.185 33.738 20.935 1.00 0.00 O ATOM 96 CB LYS A 6 32.276 36.561 19.770 1.00 0.00 C ATOM 97 CG LYS A 6 32.754 37.600 20.778 1.00 0.00 C ATOM 98 CD LYS A 6 31.689 38.690 20.910 1.00 0.00 C ATOM 99 CE LYS A 6 32.044 39.627 22.065 1.00 0.00 C ATOM 100 NZ LYS A 6 30.978 40.660 22.208 1.00 0.00 N ATOM 0 H LYS A 6 32.098 34.440 18.254 1.00 0.00 H new ATOM 0 HA LYS A 6 34.314 35.836 19.660 1.00 0.00 H new ATOM 0 HB2 LYS A 6 32.127 37.028 18.797 1.00 0.00 H new ATOM 0 HB3 LYS A 6 31.312 36.158 20.081 1.00 0.00 H new ATOM 0 HG2 LYS A 6 32.935 37.131 21.745 1.00 0.00 H new ATOM 0 HG3 LYS A 6 33.699 38.034 20.452 1.00 0.00 H new ATOM 0 HD2 LYS A 6 31.617 39.255 19.981 1.00 0.00 H new ATOM 0 HD3 LYS A 6 30.713 38.238 21.084 1.00 0.00 H new ATOM 0 HE2 LYS A 6 32.143 39.060 22.991 1.00 0.00 H new ATOM 0 HE3 LYS A 6 33.006 40.104 21.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 31.217 41.299 22.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 30.904 41.207 21.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 30.068 40.195 22.404 1.00 0.00 H new ATOM 114 N THR A 7 34.133 34.519 21.760 1.00 0.00 N ATOM 115 CA THR A 7 34.095 33.660 22.948 1.00 0.00 C ATOM 116 C THR A 7 33.779 34.487 24.192 1.00 0.00 C ATOM 117 O THR A 7 33.605 35.705 24.117 1.00 0.00 O ATOM 118 CB THR A 7 35.441 32.954 23.134 1.00 0.00 C ATOM 119 OG1 THR A 7 36.381 33.866 23.682 1.00 0.00 O ATOM 120 CG2 THR A 7 35.947 32.442 21.784 1.00 0.00 C ATOM 0 H THR A 7 34.950 35.127 21.703 1.00 0.00 H new ATOM 0 HA THR A 7 33.313 32.914 22.807 1.00 0.00 H new ATOM 0 HB THR A 7 35.316 32.110 23.812 1.00 0.00 H new ATOM 0 HG1 THR A 7 37.284 33.620 23.391 1.00 0.00 H new ATOM 0 HG21 THR A 7 36.905 31.940 21.921 1.00 0.00 H new ATOM 0 HG22 THR A 7 35.225 31.739 21.368 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.072 33.281 21.100 1.00 0.00 H new ATOM 128 N LEU A 8 33.718 33.826 25.342 1.00 0.00 N ATOM 129 CA LEU A 8 33.425 34.521 26.589 1.00 0.00 C ATOM 130 C LEU A 8 34.621 35.356 27.039 1.00 0.00 C ATOM 131 O LEU A 8 34.474 36.271 27.848 1.00 0.00 O ATOM 132 CB LEU A 8 33.053 33.509 27.679 1.00 0.00 C ATOM 133 CG LEU A 8 32.005 32.524 27.142 1.00 0.00 C ATOM 134 CD1 LEU A 8 31.591 31.552 28.254 1.00 0.00 C ATOM 135 CD2 LEU A 8 30.770 33.294 26.654 1.00 0.00 C ATOM 0 H LEU A 8 33.866 32.821 25.437 1.00 0.00 H new ATOM 0 HA LEU A 8 32.582 35.191 26.419 1.00 0.00 H new ATOM 0 HB2 LEU A 8 33.942 32.967 28.003 1.00 0.00 H new ATOM 0 HB3 LEU A 8 32.661 34.030 28.553 1.00 0.00 H new ATOM 0 HG LEU A 8 32.435 31.965 26.311 1.00 0.00 H new ATOM 0 HD11 LEU A 8 30.847 30.854 27.869 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.465 30.998 28.597 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.166 32.112 29.087 1.00 0.00 H new ATOM 0 HD21 LEU A 8 30.029 32.590 26.274 1.00 0.00 H new ATOM 0 HD22 LEU A 8 30.342 33.859 27.483 1.00 0.00 H new ATOM 0 HD23 LEU A 8 31.060 33.980 25.859 1.00 0.00 H new ATOM 147 N THR A 9 35.805 35.049 26.508 1.00 0.00 N ATOM 148 CA THR A 9 37.008 35.796 26.875 1.00 0.00 C ATOM 149 C THR A 9 37.159 37.043 26.008 1.00 0.00 C ATOM 150 O THR A 9 38.182 37.726 26.069 1.00 0.00 O ATOM 151 CB THR A 9 38.250 34.914 26.722 1.00 0.00 C ATOM 152 OG1 THR A 9 38.406 34.546 25.360 1.00 0.00 O ATOM 153 CG2 THR A 9 38.096 33.658 27.579 1.00 0.00 C ATOM 0 H THR A 9 35.956 34.300 25.832 1.00 0.00 H new ATOM 0 HA THR A 9 36.908 36.102 27.917 1.00 0.00 H new ATOM 0 HB THR A 9 39.130 35.468 27.050 1.00 0.00 H new ATOM 0 HG1 THR A 9 37.524 34.439 24.947 1.00 0.00 H new ATOM 0 HG21 THR A 9 38.981 33.031 27.469 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.981 33.943 28.625 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.216 33.103 27.256 1.00 0.00 H new ATOM 161 N GLY A 10 36.134 37.351 25.216 1.00 0.00 N ATOM 162 CA GLY A 10 36.177 38.534 24.365 1.00 0.00 C ATOM 163 C GLY A 10 37.196 38.374 23.245 1.00 0.00 C ATOM 164 O GLY A 10 37.681 39.360 22.690 1.00 0.00 O ATOM 0 H GLY A 10 35.275 36.805 25.147 1.00 0.00 H new ATOM 0 HA2 GLY A 10 35.190 38.714 23.939 1.00 0.00 H new ATOM 0 HA3 GLY A 10 36.428 39.408 24.966 1.00 0.00 H new ATOM 168 N LYS A 11 37.503 37.126 22.901 1.00 0.00 N ATOM 169 CA LYS A 11 38.448 36.847 21.825 1.00 0.00 C ATOM 170 C LYS A 11 37.691 36.683 20.518 1.00 0.00 C ATOM 171 O LYS A 11 36.659 36.014 20.472 1.00 0.00 O ATOM 172 CB LYS A 11 39.231 35.563 22.124 1.00 0.00 C ATOM 173 CG LYS A 11 40.040 35.729 23.421 1.00 0.00 C ATOM 174 CD LYS A 11 41.339 36.496 23.137 1.00 0.00 C ATOM 175 CE LYS A 11 42.243 36.454 24.366 1.00 0.00 C ATOM 176 NZ LYS A 11 43.391 37.382 24.159 1.00 0.00 N ATOM 0 H LYS A 11 37.113 36.297 23.349 1.00 0.00 H new ATOM 0 HA LYS A 11 39.148 37.678 21.745 1.00 0.00 H new ATOM 0 HB2 LYS A 11 38.544 34.722 22.220 1.00 0.00 H new ATOM 0 HB3 LYS A 11 39.901 35.334 21.295 1.00 0.00 H new ATOM 0 HG2 LYS A 11 39.447 36.264 24.163 1.00 0.00 H new ATOM 0 HG3 LYS A 11 40.271 34.751 23.843 1.00 0.00 H new ATOM 0 HD2 LYS A 11 41.852 36.057 22.282 1.00 0.00 H new ATOM 0 HD3 LYS A 11 41.112 37.530 22.876 1.00 0.00 H new ATOM 0 HE2 LYS A 11 41.682 36.742 25.255 1.00 0.00 H new ATOM 0 HE3 LYS A 11 42.605 35.439 24.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 44.011 37.358 24.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 43.929 37.087 23.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 43.035 38.349 24.020 1.00 0.00 H new ATOM 190 N THR A 12 38.210 37.291 19.453 1.00 0.00 N ATOM 191 CA THR A 12 37.580 37.202 18.135 1.00 0.00 C ATOM 192 C THR A 12 38.543 36.569 17.145 1.00 0.00 C ATOM 193 O THR A 12 39.680 37.012 16.993 1.00 0.00 O ATOM 194 CB THR A 12 37.180 38.592 17.638 1.00 0.00 C ATOM 195 OG1 THR A 12 36.289 39.187 18.572 1.00 0.00 O ATOM 196 CG2 THR A 12 36.484 38.465 16.275 1.00 0.00 C ATOM 0 H THR A 12 39.063 37.850 19.476 1.00 0.00 H new ATOM 0 HA THR A 12 36.685 36.586 18.220 1.00 0.00 H new ATOM 0 HB THR A 12 38.069 39.214 17.535 1.00 0.00 H new ATOM 0 HG1 THR A 12 36.032 40.079 18.257 1.00 0.00 H new ATOM 0 HG21 THR A 12 36.198 39.455 15.919 1.00 0.00 H new ATOM 0 HG22 THR A 12 37.166 38.005 15.560 1.00 0.00 H new ATOM 0 HG23 THR A 12 35.593 37.845 16.378 1.00 0.00 H new ATOM 204 N ILE A 13 38.070 35.532 16.471 1.00 0.00 N ATOM 205 CA ILE A 13 38.883 34.829 15.480 1.00 0.00 C ATOM 206 C ILE A 13 38.071 34.558 14.228 1.00 0.00 C ATOM 207 O ILE A 13 36.874 34.280 14.298 1.00 0.00 O ATOM 208 CB ILE A 13 39.403 33.517 16.060 1.00 0.00 C ATOM 209 CG1 ILE A 13 38.246 32.756 16.704 1.00 0.00 C ATOM 210 CG2 ILE A 13 40.470 33.812 17.114 1.00 0.00 C ATOM 211 CD1 ILE A 13 38.744 31.405 17.217 1.00 0.00 C ATOM 0 H ILE A 13 37.129 35.156 16.589 1.00 0.00 H new ATOM 0 HA ILE A 13 39.732 35.460 15.217 1.00 0.00 H new ATOM 0 HB ILE A 13 39.839 32.913 15.264 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.828 33.337 17.526 1.00 0.00 H new ATOM 0 HG13 ILE A 13 37.446 32.609 15.979 1.00 0.00 H new ATOM 0 HG21 ILE A 13 40.841 32.875 17.528 1.00 0.00 H new ATOM 0 HG22 ILE A 13 41.294 34.357 16.655 1.00 0.00 H new ATOM 0 HG23 ILE A 13 40.036 34.415 17.912 1.00 0.00 H new ATOM 0 HD11 ILE A 13 37.917 30.863 17.676 1.00 0.00 H new ATOM 0 HD12 ILE A 13 39.141 30.824 16.385 1.00 0.00 H new ATOM 0 HD13 ILE A 13 39.529 31.563 17.956 1.00 0.00 H new ATOM 223 N THR A 14 38.730 34.644 13.081 1.00 0.00 N ATOM 224 CA THR A 14 38.057 34.405 11.806 1.00 0.00 C ATOM 225 C THR A 14 38.271 32.967 11.352 1.00 0.00 C ATOM 226 O THR A 14 39.358 32.407 11.497 1.00 0.00 O ATOM 227 CB THR A 14 38.583 35.370 10.743 1.00 0.00 C ATOM 228 OG1 THR A 14 38.601 36.686 11.279 1.00 0.00 O ATOM 229 CG2 THR A 14 37.661 35.328 9.519 1.00 0.00 C ATOM 0 H THR A 14 39.720 34.875 13.004 1.00 0.00 H new ATOM 0 HA THR A 14 36.989 34.574 11.943 1.00 0.00 H new ATOM 0 HB THR A 14 39.591 35.081 10.447 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.685 37.032 11.327 1.00 0.00 H new ATOM 0 HG21 THR A 14 38.033 36.015 8.759 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.640 34.316 9.114 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.653 35.623 9.812 1.00 0.00 H new ATOM 237 N LEU A 15 37.209 32.375 10.813 1.00 0.00 N ATOM 238 CA LEU A 15 37.238 30.991 10.338 1.00 0.00 C ATOM 239 C LEU A 15 36.810 30.936 8.869 1.00 0.00 C ATOM 240 O LEU A 15 35.968 31.718 8.426 1.00 0.00 O ATOM 241 CB LEU A 15 36.264 30.148 11.202 1.00 0.00 C ATOM 242 CG LEU A 15 37.021 29.282 12.222 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.901 30.162 13.122 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.998 28.529 13.080 1.00 0.00 C ATOM 0 H LEU A 15 36.307 32.836 10.693 1.00 0.00 H new ATOM 0 HA LEU A 15 38.249 30.592 10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.575 30.810 11.726 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.663 29.509 10.556 1.00 0.00 H new ATOM 0 HG LEU A 15 37.663 28.576 11.695 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.431 29.534 13.839 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.623 30.702 12.509 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.275 30.875 13.658 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.520 27.910 13.809 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.363 29.245 13.601 1.00 0.00 H new ATOM 0 HD23 LEU A 15 35.383 27.896 12.441 1.00 0.00 H new ATOM 256 N GLU A 16 37.374 29.982 8.131 1.00 0.00 N ATOM 257 CA GLU A 16 37.023 29.794 6.719 1.00 0.00 C ATOM 258 C GLU A 16 36.148 28.554 6.598 1.00 0.00 C ATOM 259 O GLU A 16 36.559 27.458 6.978 1.00 0.00 O ATOM 260 CB GLU A 16 38.282 29.626 5.861 1.00 0.00 C ATOM 261 CG GLU A 16 37.900 29.646 4.377 1.00 0.00 C ATOM 262 CD GLU A 16 39.129 29.368 3.518 1.00 0.00 C ATOM 263 OE1 GLU A 16 40.006 30.216 3.482 1.00 0.00 O ATOM 264 OE2 GLU A 16 39.176 28.312 2.909 1.00 0.00 O ATOM 0 H GLU A 16 38.073 29.328 8.483 1.00 0.00 H new ATOM 0 HA GLU A 16 36.486 30.673 6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.990 30.427 6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.779 28.687 6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.132 28.898 4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.475 30.615 4.115 1.00 0.00 H new ATOM 271 N VAL A 17 34.933 28.732 6.085 1.00 0.00 N ATOM 272 CA VAL A 17 34.005 27.606 5.948 1.00 0.00 C ATOM 273 C VAL A 17 33.153 27.729 4.691 1.00 0.00 C ATOM 274 O VAL A 17 33.051 28.801 4.095 1.00 0.00 O ATOM 275 CB VAL A 17 33.109 27.508 7.203 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.903 27.932 8.441 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.889 28.424 7.064 1.00 0.00 C ATOM 0 H VAL A 17 34.570 29.628 5.761 1.00 0.00 H new ATOM 0 HA VAL A 17 34.593 26.693 5.854 1.00 0.00 H new ATOM 0 HB VAL A 17 32.776 26.475 7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 17 33.267 27.861 9.323 1.00 0.00 H new ATOM 0 HG12 VAL A 17 34.766 27.277 8.562 1.00 0.00 H new ATOM 0 HG13 VAL A 17 34.243 28.961 8.321 1.00 0.00 H new ATOM 0 HG21 VAL A 17 31.269 28.342 7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 17 32.220 29.456 6.945 1.00 0.00 H new ATOM 0 HG23 VAL A 17 31.308 28.127 6.191 1.00 0.00 H new ATOM 287 N GLU A 18 32.520 26.618 4.315 1.00 0.00 N ATOM 288 CA GLU A 18 31.646 26.581 3.151 1.00 0.00 C ATOM 289 C GLU A 18 30.199 26.722 3.623 1.00 0.00 C ATOM 290 O GLU A 18 29.871 26.311 4.738 1.00 0.00 O ATOM 291 CB GLU A 18 31.827 25.246 2.417 1.00 0.00 C ATOM 292 CG GLU A 18 33.278 25.110 1.954 1.00 0.00 C ATOM 293 CD GLU A 18 33.487 23.748 1.301 1.00 0.00 C ATOM 294 OE1 GLU A 18 32.576 22.939 1.360 1.00 0.00 O ATOM 295 OE2 GLU A 18 34.555 23.535 0.751 1.00 0.00 O ATOM 0 H GLU A 18 32.600 25.728 4.806 1.00 0.00 H new ATOM 0 HA GLU A 18 31.893 27.395 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.566 24.418 3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.155 25.196 1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.519 25.903 1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.952 25.224 2.803 1.00 0.00 H new ATOM 302 N PRO A 19 29.333 27.293 2.828 1.00 0.00 N ATOM 303 CA PRO A 19 27.906 27.484 3.220 1.00 0.00 C ATOM 304 C PRO A 19 27.196 26.150 3.419 1.00 0.00 C ATOM 305 O PRO A 19 26.078 26.103 3.934 1.00 0.00 O ATOM 306 CB PRO A 19 27.307 28.277 2.044 1.00 0.00 C ATOM 307 CG PRO A 19 28.198 27.969 0.886 1.00 0.00 C ATOM 308 CD PRO A 19 29.595 27.813 1.474 1.00 0.00 C ATOM 0 HA PRO A 19 27.798 28.003 4.172 1.00 0.00 H new ATOM 0 HB2 PRO A 19 26.279 27.974 1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 19 27.288 29.346 2.256 1.00 0.00 H new ATOM 0 HG2 PRO A 19 27.882 27.057 0.380 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.171 28.770 0.147 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.204 27.124 0.889 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.128 28.763 1.504 1.00 0.00 H new ATOM 316 N SER A 20 27.843 25.066 2.989 1.00 0.00 N ATOM 317 CA SER A 20 27.264 23.728 3.102 1.00 0.00 C ATOM 318 C SER A 20 27.987 22.896 4.159 1.00 0.00 C ATOM 319 O SER A 20 27.758 21.691 4.267 1.00 0.00 O ATOM 320 CB SER A 20 27.364 23.023 1.751 1.00 0.00 C ATOM 321 OG SER A 20 26.522 21.879 1.753 1.00 0.00 O ATOM 0 H SER A 20 28.768 25.089 2.560 1.00 0.00 H new ATOM 0 HA SER A 20 26.221 23.830 3.403 1.00 0.00 H new ATOM 0 HB2 SER A 20 27.071 23.703 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 20 28.396 22.729 1.557 1.00 0.00 H new ATOM 0 HG SER A 20 26.641 21.386 2.592 1.00 0.00 H new ATOM 327 N ASP A 21 28.854 23.532 4.943 1.00 0.00 N ATOM 328 CA ASP A 21 29.580 22.824 5.983 1.00 0.00 C ATOM 329 C ASP A 21 28.618 22.347 7.065 1.00 0.00 C ATOM 330 O ASP A 21 27.613 23.000 7.347 1.00 0.00 O ATOM 331 CB ASP A 21 30.646 23.756 6.585 1.00 0.00 C ATOM 332 CG ASP A 21 31.900 23.782 5.710 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.995 22.963 4.812 1.00 0.00 O ATOM 334 OD2 ASP A 21 32.754 24.612 5.962 1.00 0.00 O ATOM 0 H ASP A 21 29.067 24.527 4.876 1.00 0.00 H new ATOM 0 HA ASP A 21 30.070 21.951 5.552 1.00 0.00 H new ATOM 0 HB2 ASP A 21 30.242 24.764 6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.904 23.420 7.589 1.00 0.00 H new ATOM 339 N THR A 22 28.934 21.203 7.671 1.00 0.00 N ATOM 340 CA THR A 22 28.093 20.647 8.727 1.00 0.00 C ATOM 341 C THR A 22 28.551 21.165 10.081 1.00 0.00 C ATOM 342 O THR A 22 29.723 21.487 10.265 1.00 0.00 O ATOM 343 CB THR A 22 28.163 19.118 8.712 1.00 0.00 C ATOM 344 OG1 THR A 22 29.517 18.706 8.825 1.00 0.00 O ATOM 345 CG2 THR A 22 27.571 18.588 7.405 1.00 0.00 C ATOM 0 H THR A 22 29.760 20.647 7.450 1.00 0.00 H new ATOM 0 HA THR A 22 27.063 20.957 8.551 1.00 0.00 H new ATOM 0 HB THR A 22 27.592 18.721 9.551 1.00 0.00 H new ATOM 0 HG1 THR A 22 29.563 17.727 8.817 1.00 0.00 H new ATOM 0 HG21 THR A 22 27.622 17.499 7.397 1.00 0.00 H new ATOM 0 HG22 THR A 22 26.531 18.903 7.323 1.00 0.00 H new ATOM 0 HG23 THR A 22 28.138 18.984 6.562 1.00 0.00 H new ATOM 353 N ILE A 23 27.625 21.243 11.024 1.00 0.00 N ATOM 354 CA ILE A 23 27.966 21.728 12.352 1.00 0.00 C ATOM 355 C ILE A 23 29.138 20.930 12.909 1.00 0.00 C ATOM 356 O ILE A 23 29.833 21.375 13.819 1.00 0.00 O ATOM 357 CB ILE A 23 26.761 21.609 13.288 1.00 0.00 C ATOM 358 CG1 ILE A 23 25.503 22.143 12.589 1.00 0.00 C ATOM 359 CG2 ILE A 23 27.015 22.419 14.560 1.00 0.00 C ATOM 360 CD1 ILE A 23 25.774 23.531 11.999 1.00 0.00 C ATOM 0 H ILE A 23 26.647 20.981 10.898 1.00 0.00 H new ATOM 0 HA ILE A 23 28.250 22.778 12.280 1.00 0.00 H new ATOM 0 HB ILE A 23 26.614 20.560 13.546 1.00 0.00 H new ATOM 0 HG12 ILE A 23 25.198 21.457 11.799 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.678 22.197 13.300 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.155 22.332 15.224 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.903 22.037 15.064 1.00 0.00 H new ATOM 0 HG23 ILE A 23 27.168 23.466 14.300 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.874 23.899 11.506 1.00 0.00 H new ATOM 0 HD12 ILE A 23 26.056 24.217 12.798 1.00 0.00 H new ATOM 0 HD13 ILE A 23 26.585 23.466 11.273 1.00 0.00 H new ATOM 372 N GLU A 24 29.359 19.751 12.342 1.00 0.00 N ATOM 373 CA GLU A 24 30.458 18.901 12.778 1.00 0.00 C ATOM 374 C GLU A 24 31.778 19.416 12.210 1.00 0.00 C ATOM 375 O GLU A 24 32.707 19.731 12.953 1.00 0.00 O ATOM 376 CB GLU A 24 30.212 17.463 12.316 1.00 0.00 C ATOM 377 CG GLU A 24 31.169 16.518 13.043 1.00 0.00 C ATOM 378 CD GLU A 24 30.782 16.413 14.515 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.595 16.365 14.793 1.00 0.00 O ATOM 380 OE2 GLU A 24 31.678 16.382 15.342 1.00 0.00 O ATOM 0 H GLU A 24 28.796 19.364 11.585 1.00 0.00 H new ATOM 0 HA GLU A 24 30.515 18.922 13.866 1.00 0.00 H new ATOM 0 HB2 GLU A 24 29.180 17.177 12.518 1.00 0.00 H new ATOM 0 HB3 GLU A 24 30.359 17.387 11.239 1.00 0.00 H new ATOM 0 HG2 GLU A 24 31.141 15.532 12.580 1.00 0.00 H new ATOM 0 HG3 GLU A 24 32.192 16.883 12.953 1.00 0.00 H new ATOM 387 N ASN A 25 31.848 19.500 10.888 1.00 0.00 N ATOM 388 CA ASN A 25 33.053 19.981 10.222 1.00 0.00 C ATOM 389 C ASN A 25 33.454 21.352 10.761 1.00 0.00 C ATOM 390 O ASN A 25 34.636 21.629 10.964 1.00 0.00 O ATOM 391 CB ASN A 25 32.803 20.076 8.716 1.00 0.00 C ATOM 392 CG ASN A 25 34.115 20.301 7.973 1.00 0.00 C ATOM 393 OD1 ASN A 25 35.164 19.818 8.400 1.00 0.00 O ATOM 394 ND2 ASN A 25 34.116 21.011 6.878 1.00 0.00 N ATOM 0 H ASN A 25 31.089 19.243 10.257 1.00 0.00 H new ATOM 0 HA ASN A 25 33.863 19.279 10.417 1.00 0.00 H new ATOM 0 HB2 ASN A 25 32.329 19.161 8.361 1.00 0.00 H new ATOM 0 HB3 ASN A 25 32.114 20.894 8.506 1.00 0.00 H new ATOM 0 HD21 ASN A 25 34.988 21.168 6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 25 33.245 21.409 6.528 1.00 0.00 H new ATOM 401 N VAL A 26 32.466 22.211 10.984 1.00 0.00 N ATOM 402 CA VAL A 26 32.744 23.550 11.492 1.00 0.00 C ATOM 403 C VAL A 26 33.318 23.479 12.905 1.00 0.00 C ATOM 404 O VAL A 26 34.274 24.180 13.233 1.00 0.00 O ATOM 405 CB VAL A 26 31.470 24.403 11.479 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.785 25.795 12.023 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.949 24.527 10.043 1.00 0.00 C ATOM 0 H VAL A 26 31.479 22.009 10.824 1.00 0.00 H new ATOM 0 HA VAL A 26 33.483 24.017 10.841 1.00 0.00 H new ATOM 0 HB VAL A 26 30.711 23.929 12.102 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.880 26.402 12.014 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.156 25.711 13.045 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.544 26.266 11.399 1.00 0.00 H new ATOM 0 HG21 VAL A 26 30.043 25.134 10.036 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.708 25.000 9.420 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.725 23.535 9.650 1.00 0.00 H new ATOM 417 N LYS A 27 32.740 22.621 13.738 1.00 0.00 N ATOM 418 CA LYS A 27 33.224 22.471 15.104 1.00 0.00 C ATOM 419 C LYS A 27 34.655 21.971 15.065 1.00 0.00 C ATOM 420 O LYS A 27 35.493 22.363 15.878 1.00 0.00 O ATOM 421 CB LYS A 27 32.336 21.490 15.881 1.00 0.00 C ATOM 422 CG LYS A 27 31.071 22.211 16.365 1.00 0.00 C ATOM 423 CD LYS A 27 30.074 21.187 16.917 1.00 0.00 C ATOM 424 CE LYS A 27 29.030 21.900 17.780 1.00 0.00 C ATOM 425 NZ LYS A 27 27.991 20.924 18.215 1.00 0.00 N ATOM 0 H LYS A 27 31.947 22.027 13.496 1.00 0.00 H new ATOM 0 HA LYS A 27 33.187 23.435 15.612 1.00 0.00 H new ATOM 0 HB2 LYS A 27 32.065 20.647 15.245 1.00 0.00 H new ATOM 0 HB3 LYS A 27 32.883 21.084 16.732 1.00 0.00 H new ATOM 0 HG2 LYS A 27 31.327 22.937 17.137 1.00 0.00 H new ATOM 0 HG3 LYS A 27 30.620 22.766 15.543 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.585 20.662 16.097 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.598 20.436 17.509 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.508 22.350 18.650 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.569 22.710 17.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.214 21.431 18.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 27.622 20.417 17.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 28.411 20.243 18.879 1.00 0.00 H new ATOM 439 N ALA A 28 34.924 21.108 14.100 1.00 0.00 N ATOM 440 CA ALA A 28 36.250 20.551 13.925 1.00 0.00 C ATOM 441 C ALA A 28 37.261 21.670 13.677 1.00 0.00 C ATOM 442 O ALA A 28 38.373 21.643 14.204 1.00 0.00 O ATOM 443 CB ALA A 28 36.223 19.585 12.740 1.00 0.00 C ATOM 0 H ALA A 28 34.236 20.778 13.423 1.00 0.00 H new ATOM 0 HA ALA A 28 36.550 20.016 14.826 1.00 0.00 H new ATOM 0 HB1 ALA A 28 37.215 19.158 12.596 1.00 0.00 H new ATOM 0 HB2 ALA A 28 35.509 18.786 12.938 1.00 0.00 H new ATOM 0 HB3 ALA A 28 35.925 20.122 11.839 1.00 0.00 H new ATOM 449 N LYS A 29 36.854 22.660 12.883 1.00 0.00 N ATOM 450 CA LYS A 29 37.725 23.795 12.586 1.00 0.00 C ATOM 451 C LYS A 29 38.046 24.546 13.877 1.00 0.00 C ATOM 452 O LYS A 29 39.177 24.988 14.102 1.00 0.00 O ATOM 453 CB LYS A 29 37.042 24.759 11.604 1.00 0.00 C ATOM 454 CG LYS A 29 36.873 24.095 10.235 1.00 0.00 C ATOM 455 CD LYS A 29 36.209 25.082 9.265 1.00 0.00 C ATOM 456 CE LYS A 29 36.293 24.530 7.841 1.00 0.00 C ATOM 457 NZ LYS A 29 37.723 24.379 7.452 1.00 0.00 N ATOM 0 H LYS A 29 35.937 22.699 12.438 1.00 0.00 H new ATOM 0 HA LYS A 29 38.642 23.417 12.134 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.068 25.056 11.994 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.636 25.667 11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.843 23.785 9.847 1.00 0.00 H new ATOM 0 HG3 LYS A 29 36.265 23.195 10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 29 35.167 25.239 9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.704 26.052 9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 29 35.785 23.567 7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 29 35.785 25.201 7.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.804 24.388 6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.276 25.165 7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.090 23.478 7.820 1.00 0.00 H new ATOM 471 N ILE A 30 37.037 24.667 14.731 1.00 0.00 N ATOM 472 CA ILE A 30 37.200 25.347 16.001 1.00 0.00 C ATOM 473 C ILE A 30 38.132 24.554 16.913 1.00 0.00 C ATOM 474 O ILE A 30 39.035 25.118 17.529 1.00 0.00 O ATOM 475 CB ILE A 30 35.827 25.531 16.656 1.00 0.00 C ATOM 476 CG1 ILE A 30 35.032 26.577 15.864 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.004 26.010 18.097 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.587 26.624 16.366 1.00 0.00 C ATOM 0 H ILE A 30 36.099 24.302 14.563 1.00 0.00 H new ATOM 0 HA ILE A 30 37.648 26.326 15.833 1.00 0.00 H new ATOM 0 HB ILE A 30 35.292 24.582 16.657 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.496 27.557 15.972 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.049 26.332 14.802 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.026 26.140 18.560 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.576 25.271 18.658 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.537 26.961 18.101 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.029 27.369 15.799 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.124 25.646 16.234 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.577 26.891 17.423 1.00 0.00 H new ATOM 490 N GLN A 31 37.910 23.246 16.993 1.00 0.00 N ATOM 491 CA GLN A 31 38.743 22.394 17.834 1.00 0.00 C ATOM 492 C GLN A 31 40.200 22.473 17.394 1.00 0.00 C ATOM 493 O GLN A 31 41.099 22.613 18.215 1.00 0.00 O ATOM 494 CB GLN A 31 38.273 20.940 17.744 1.00 0.00 C ATOM 495 CG GLN A 31 38.986 20.110 18.815 1.00 0.00 C ATOM 496 CD GLN A 31 38.600 18.640 18.683 1.00 0.00 C ATOM 497 OE1 GLN A 31 37.869 18.254 17.674 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 38.975 17.822 19.523 1.00 0.00 N flip ATOM 0 H GLN A 31 37.169 22.757 16.492 1.00 0.00 H new ATOM 0 HA GLN A 31 38.656 22.743 18.863 1.00 0.00 H new ATOM 0 HB2 GLN A 31 37.193 20.885 17.884 1.00 0.00 H new ATOM 0 HB3 GLN A 31 38.486 20.537 16.754 1.00 0.00 H new ATOM 0 HG2 GLN A 31 40.066 20.221 18.713 1.00 0.00 H new ATOM 0 HG3 GLN A 31 38.720 20.476 19.807 1.00 0.00 H new ATOM 0 HE21 GLN A 31 39.547 18.126 20.311 1.00 0.00 H new ATOM 0 HE22 GLN A 31 38.714 16.840 19.431 1.00 0.00 H new ATOM 507 N ASP A 32 40.424 22.364 16.094 1.00 0.00 N ATOM 508 CA ASP A 32 41.779 22.405 15.556 1.00 0.00 C ATOM 509 C ASP A 32 42.517 23.676 15.981 1.00 0.00 C ATOM 510 O ASP A 32 43.711 23.632 16.278 1.00 0.00 O ATOM 511 CB ASP A 32 41.731 22.328 14.028 1.00 0.00 C ATOM 512 CG ASP A 32 41.336 20.921 13.590 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.017 19.987 13.980 1.00 0.00 O ATOM 514 OD2 ASP A 32 40.358 20.798 12.870 1.00 0.00 O ATOM 0 H ASP A 32 39.692 22.247 15.394 1.00 0.00 H new ATOM 0 HA ASP A 32 42.323 21.549 15.956 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.015 23.053 13.641 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.704 22.588 13.612 1.00 0.00 H new ATOM 519 N LYS A 33 41.819 24.812 15.985 1.00 0.00 N ATOM 520 CA LYS A 33 42.455 26.083 16.350 1.00 0.00 C ATOM 521 C LYS A 33 42.481 26.329 17.866 1.00 0.00 C ATOM 522 O LYS A 33 43.454 26.876 18.385 1.00 0.00 O ATOM 523 CB LYS A 33 41.726 27.242 15.667 1.00 0.00 C ATOM 524 CG LYS A 33 41.861 27.108 14.148 1.00 0.00 C ATOM 525 CD LYS A 33 41.354 28.386 13.474 1.00 0.00 C ATOM 526 CE LYS A 33 41.443 28.234 11.954 1.00 0.00 C ATOM 527 NZ LYS A 33 41.027 29.508 11.301 1.00 0.00 N ATOM 0 H LYS A 33 40.830 24.882 15.745 1.00 0.00 H new ATOM 0 HA LYS A 33 43.490 26.023 16.012 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.673 27.241 15.950 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.144 28.193 15.997 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.902 26.931 13.879 1.00 0.00 H new ATOM 0 HG3 LYS A 33 41.291 26.248 13.796 1.00 0.00 H new ATOM 0 HD2 LYS A 33 40.323 28.581 13.770 1.00 0.00 H new ATOM 0 HD3 LYS A 33 41.947 29.241 13.800 1.00 0.00 H new ATOM 0 HE2 LYS A 33 42.462 27.980 11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 33 40.803 27.417 11.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 41.410 29.544 10.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 39.989 29.556 11.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 41.392 30.314 11.848 1.00 0.00 H new ATOM 541 N GLU A 34 41.410 25.963 18.574 1.00 0.00 N ATOM 542 CA GLU A 34 41.343 26.201 20.028 1.00 0.00 C ATOM 543 C GLU A 34 41.661 24.944 20.843 1.00 0.00 C ATOM 544 O GLU A 34 41.850 25.022 22.056 1.00 0.00 O ATOM 545 CB GLU A 34 39.945 26.705 20.405 1.00 0.00 C ATOM 546 CG GLU A 34 39.543 27.852 19.473 1.00 0.00 C ATOM 547 CD GLU A 34 40.499 29.027 19.648 1.00 0.00 C ATOM 548 OE1 GLU A 34 41.515 29.045 18.971 1.00 0.00 O ATOM 549 OE2 GLU A 34 40.202 29.893 20.455 1.00 0.00 O ATOM 0 H GLU A 34 40.588 25.508 18.178 1.00 0.00 H new ATOM 0 HA GLU A 34 42.098 26.950 20.266 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.222 25.892 20.331 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.937 27.045 21.441 1.00 0.00 H new ATOM 0 HG2 GLU A 34 39.558 27.512 18.437 1.00 0.00 H new ATOM 0 HG3 GLU A 34 38.523 28.167 19.691 1.00 0.00 H new ATOM 556 N GLY A 35 41.759 23.800 20.181 1.00 0.00 N ATOM 557 CA GLY A 35 42.089 22.552 20.866 1.00 0.00 C ATOM 558 C GLY A 35 41.030 22.152 21.899 1.00 0.00 C ATOM 559 O GLY A 35 41.281 21.292 22.742 1.00 0.00 O ATOM 0 H GLY A 35 41.616 23.707 19.175 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.194 21.754 20.131 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.054 22.658 21.362 1.00 0.00 H new ATOM 563 N ILE A 36 39.850 22.769 21.833 1.00 0.00 N ATOM 564 CA ILE A 36 38.776 22.453 22.771 1.00 0.00 C ATOM 565 C ILE A 36 37.839 21.387 22.170 1.00 0.00 C ATOM 566 O ILE A 36 37.157 21.662 21.183 1.00 0.00 O ATOM 567 CB ILE A 36 37.978 23.724 23.064 1.00 0.00 C ATOM 568 CG1 ILE A 36 38.936 24.839 23.486 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.994 23.452 24.194 1.00 0.00 C ATOM 570 CD1 ILE A 36 38.154 26.128 23.749 1.00 0.00 C ATOM 0 H ILE A 36 39.616 23.485 21.145 1.00 0.00 H new ATOM 0 HA ILE A 36 39.208 22.063 23.692 1.00 0.00 H new ATOM 0 HB ILE A 36 37.434 24.028 22.169 1.00 0.00 H new ATOM 0 HG12 ILE A 36 39.479 24.543 24.384 1.00 0.00 H new ATOM 0 HG13 ILE A 36 39.678 25.007 22.706 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.424 24.356 24.405 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.313 22.654 23.899 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.540 23.151 25.088 1.00 0.00 H new ATOM 0 HD11 ILE A 36 38.844 26.917 24.049 1.00 0.00 H new ATOM 0 HD12 ILE A 36 37.632 26.428 22.841 1.00 0.00 H new ATOM 0 HD13 ILE A 36 37.429 25.958 24.545 1.00 0.00 H new ATOM 582 N PRO A 37 37.779 20.187 22.724 1.00 0.00 N ATOM 583 CA PRO A 37 36.888 19.112 22.187 1.00 0.00 C ATOM 584 C PRO A 37 35.480 19.638 21.858 1.00 0.00 C ATOM 585 O PRO A 37 34.982 20.548 22.521 1.00 0.00 O ATOM 586 CB PRO A 37 36.845 18.082 23.321 1.00 0.00 C ATOM 587 CG PRO A 37 38.157 18.233 24.023 1.00 0.00 C ATOM 588 CD PRO A 37 38.542 19.713 23.898 1.00 0.00 C ATOM 0 HA PRO A 37 37.257 18.700 21.248 1.00 0.00 H new ATOM 0 HB2 PRO A 37 36.011 18.272 23.996 1.00 0.00 H new ATOM 0 HB3 PRO A 37 36.718 17.071 22.933 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.075 17.939 25.069 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.916 17.594 23.571 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.278 20.271 24.797 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.615 19.835 23.751 1.00 0.00 H new ATOM 596 N PRO A 38 34.832 19.090 20.855 1.00 0.00 N ATOM 597 CA PRO A 38 33.467 19.538 20.440 1.00 0.00 C ATOM 598 C PRO A 38 32.393 19.135 21.446 1.00 0.00 C ATOM 599 O PRO A 38 31.276 19.651 21.414 1.00 0.00 O ATOM 600 CB PRO A 38 33.262 18.839 19.091 1.00 0.00 C ATOM 601 CG PRO A 38 34.071 17.596 19.202 1.00 0.00 C ATOM 602 CD PRO A 38 35.309 17.980 20.010 1.00 0.00 C ATOM 0 HA PRO A 38 33.387 20.623 20.379 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.210 18.616 18.913 1.00 0.00 H new ATOM 0 HB3 PRO A 38 33.600 19.462 18.263 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.508 16.806 19.699 1.00 0.00 H new ATOM 0 HG3 PRO A 38 34.347 17.219 18.217 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.673 17.146 20.610 1.00 0.00 H new ATOM 0 HD3 PRO A 38 36.130 18.290 19.364 1.00 0.00 H new ATOM 610 N ASP A 39 32.734 18.209 22.333 1.00 0.00 N ATOM 611 CA ASP A 39 31.784 17.747 23.337 1.00 0.00 C ATOM 612 C ASP A 39 31.660 18.759 24.470 1.00 0.00 C ATOM 613 O ASP A 39 30.723 18.696 25.267 1.00 0.00 O ATOM 614 CB ASP A 39 32.230 16.396 23.898 1.00 0.00 C ATOM 615 CG ASP A 39 32.141 15.326 22.815 1.00 0.00 C ATOM 616 OD1 ASP A 39 31.267 15.437 21.971 1.00 0.00 O ATOM 617 OD2 ASP A 39 32.949 14.413 22.845 1.00 0.00 O ATOM 0 H ASP A 39 33.652 17.767 22.378 1.00 0.00 H new ATOM 0 HA ASP A 39 30.810 17.637 22.861 1.00 0.00 H new ATOM 0 HB2 ASP A 39 33.253 16.466 24.268 1.00 0.00 H new ATOM 0 HB3 ASP A 39 31.603 16.120 24.746 1.00 0.00 H new ATOM 622 N GLN A 40 32.614 19.689 24.548 1.00 0.00 N ATOM 623 CA GLN A 40 32.602 20.709 25.600 1.00 0.00 C ATOM 624 C GLN A 40 32.154 22.056 25.047 1.00 0.00 C ATOM 625 O GLN A 40 31.952 23.006 25.805 1.00 0.00 O ATOM 626 CB GLN A 40 34.005 20.859 26.191 1.00 0.00 C ATOM 627 CG GLN A 40 34.433 19.543 26.843 1.00 0.00 C ATOM 628 CD GLN A 40 35.730 19.746 27.619 1.00 0.00 C ATOM 629 OE1 GLN A 40 36.807 19.402 27.132 1.00 0.00 O ATOM 630 NE2 GLN A 40 35.692 20.288 28.805 1.00 0.00 N ATOM 0 H GLN A 40 33.399 19.758 23.901 1.00 0.00 H new ATOM 0 HA GLN A 40 31.901 20.391 26.372 1.00 0.00 H new ATOM 0 HB2 GLN A 40 34.712 21.135 25.409 1.00 0.00 H new ATOM 0 HB3 GLN A 40 34.016 21.662 26.928 1.00 0.00 H new ATOM 0 HG2 GLN A 40 33.650 19.187 27.513 1.00 0.00 H new ATOM 0 HG3 GLN A 40 34.572 18.777 26.080 1.00 0.00 H new ATOM 0 HE21 GLN A 40 34.799 20.573 29.207 1.00 0.00 H new ATOM 0 HE22 GLN A 40 36.555 20.427 29.330 1.00 0.00 H new ATOM 639 N GLN A 41 32.024 22.147 23.721 1.00 0.00 N ATOM 640 CA GLN A 41 31.628 23.402 23.075 1.00 0.00 C ATOM 641 C GLN A 41 30.250 23.305 22.427 1.00 0.00 C ATOM 642 O GLN A 41 29.883 22.281 21.852 1.00 0.00 O ATOM 643 CB GLN A 41 32.649 23.765 21.995 1.00 0.00 C ATOM 644 CG GLN A 41 33.962 24.188 22.650 1.00 0.00 C ATOM 645 CD GLN A 41 34.977 24.566 21.578 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.310 25.741 21.423 1.00 0.00 O ATOM 647 NE2 GLN A 41 35.491 23.635 20.821 1.00 0.00 N ATOM 0 H GLN A 41 32.186 21.373 23.077 1.00 0.00 H new ATOM 0 HA GLN A 41 31.589 24.168 23.850 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.817 22.911 21.338 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.264 24.574 21.374 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.791 25.034 23.316 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.352 23.375 23.262 1.00 0.00 H new ATOM 0 HE21 GLN A 41 35.214 22.662 20.950 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.169 23.881 20.100 1.00 0.00 H new ATOM 656 N ARG A 42 29.512 24.409 22.510 1.00 0.00 N ATOM 657 CA ARG A 42 28.179 24.516 21.920 1.00 0.00 C ATOM 658 C ARG A 42 28.106 25.819 21.127 1.00 0.00 C ATOM 659 O ARG A 42 28.633 26.841 21.568 1.00 0.00 O ATOM 660 CB ARG A 42 27.106 24.511 23.016 1.00 0.00 C ATOM 661 CG ARG A 42 26.918 23.086 23.577 1.00 0.00 C ATOM 662 CD ARG A 42 25.895 22.314 22.732 1.00 0.00 C ATOM 663 NE ARG A 42 25.654 20.993 23.307 1.00 0.00 N ATOM 664 CZ ARG A 42 26.507 19.991 23.114 1.00 0.00 C ATOM 665 NH1 ARG A 42 26.262 18.816 23.629 1.00 0.00 N ATOM 666 NH2 ARG A 42 27.589 20.180 22.410 1.00 0.00 N ATOM 0 H ARG A 42 29.821 25.255 22.988 1.00 0.00 H new ATOM 0 HA ARG A 42 27.999 23.665 21.264 1.00 0.00 H new ATOM 0 HB2 ARG A 42 27.394 25.190 23.819 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.162 24.877 22.612 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.872 22.559 23.577 1.00 0.00 H new ATOM 0 HG3 ARG A 42 26.581 23.136 24.612 1.00 0.00 H new ATOM 0 HD2 ARG A 42 24.960 22.872 22.682 1.00 0.00 H new ATOM 0 HD3 ARG A 42 26.261 22.212 21.710 1.00 0.00 H new ATOM 0 HE ARG A 42 24.816 20.836 23.867 1.00 0.00 H new ATOM 0 HH11 ARG A 42 25.416 18.667 24.179 1.00 0.00 H new ATOM 0 HH12 ARG A 42 26.916 18.048 23.481 1.00 0.00 H new ATOM 0 HH21 ARG A 42 27.782 21.097 22.007 1.00 0.00 H new ATOM 0 HH22 ARG A 42 28.242 19.411 22.263 1.00 0.00 H new ATOM 680 N LEU A 43 27.471 25.785 19.955 1.00 0.00 N ATOM 681 CA LEU A 43 27.359 26.984 19.110 1.00 0.00 C ATOM 682 C LEU A 43 25.902 27.424 18.986 1.00 0.00 C ATOM 683 O LEU A 43 25.023 26.611 18.693 1.00 0.00 O ATOM 684 CB LEU A 43 27.923 26.688 17.716 1.00 0.00 C ATOM 685 CG LEU A 43 29.300 26.021 17.835 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.793 25.625 16.441 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.299 26.997 18.468 1.00 0.00 C ATOM 0 H LEU A 43 27.029 24.951 19.568 1.00 0.00 H new ATOM 0 HA LEU A 43 27.929 27.788 19.575 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.241 26.037 17.170 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.006 27.613 17.145 1.00 0.00 H new ATOM 0 HG LEU A 43 29.217 25.134 18.463 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.771 25.151 16.522 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.088 24.927 15.990 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.872 26.515 15.817 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.274 26.517 18.550 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.383 27.887 17.844 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.950 27.282 19.461 1.00 0.00 H new ATOM 699 N ILE A 44 25.647 28.717 19.222 1.00 0.00 N ATOM 700 CA ILE A 44 24.286 29.263 19.143 1.00 0.00 C ATOM 701 C ILE A 44 24.234 30.499 18.238 1.00 0.00 C ATOM 702 O ILE A 44 25.172 31.307 18.198 1.00 0.00 O ATOM 703 CB ILE A 44 23.794 29.631 20.547 1.00 0.00 C ATOM 704 CG1 ILE A 44 24.125 28.481 21.510 1.00 0.00 C ATOM 705 CG2 ILE A 44 22.277 29.865 20.514 1.00 0.00 C ATOM 706 CD1 ILE A 44 23.358 28.651 22.827 1.00 0.00 C ATOM 0 H ILE A 44 26.362 29.402 19.468 1.00 0.00 H new ATOM 0 HA ILE A 44 23.638 28.499 18.713 1.00 0.00 H new ATOM 0 HB ILE A 44 24.286 30.543 20.886 1.00 0.00 H new ATOM 0 HG12 ILE A 44 23.865 27.527 21.051 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.197 28.459 21.706 1.00 0.00 H new ATOM 0 HG21 ILE A 44 21.927 30.127 21.513 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.049 30.678 19.825 1.00 0.00 H new ATOM 0 HG23 ILE A 44 21.776 28.956 20.181 1.00 0.00 H new ATOM 0 HD11 ILE A 44 23.603 27.829 23.499 1.00 0.00 H new ATOM 0 HD12 ILE A 44 23.639 29.596 23.292 1.00 0.00 H new ATOM 0 HD13 ILE A 44 22.287 28.649 22.627 1.00 0.00 H new ATOM 718 N PHE A 45 23.114 30.630 17.526 1.00 0.00 N ATOM 719 CA PHE A 45 22.881 31.753 16.618 1.00 0.00 C ATOM 720 C PHE A 45 21.380 32.011 16.535 1.00 0.00 C ATOM 721 O PHE A 45 20.587 31.072 16.582 1.00 0.00 O ATOM 722 CB PHE A 45 23.421 31.425 15.225 1.00 0.00 C ATOM 723 CG PHE A 45 23.111 32.559 14.270 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.892 33.721 14.283 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.049 32.441 13.362 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.610 34.766 13.393 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.767 33.487 12.474 1.00 0.00 C ATOM 728 CZ PHE A 45 22.548 34.648 12.488 1.00 0.00 C ATOM 0 H PHE A 45 22.344 29.962 17.563 1.00 0.00 H new ATOM 0 HA PHE A 45 23.395 32.638 16.993 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.498 31.262 15.272 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.974 30.500 14.861 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.712 33.812 14.979 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.448 31.544 13.347 1.00 0.00 H new ATOM 0 HE1 PHE A 45 24.212 35.663 13.405 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.946 33.397 11.778 1.00 0.00 H new ATOM 0 HZ PHE A 45 22.332 35.453 11.801 1.00 0.00 H new ATOM 738 N ALA A 46 20.982 33.271 16.417 1.00 0.00 N ATOM 739 CA ALA A 46 19.559 33.581 16.346 1.00 0.00 C ATOM 740 C ALA A 46 18.844 32.912 17.518 1.00 0.00 C ATOM 741 O ALA A 46 17.713 32.440 17.397 1.00 0.00 O ATOM 742 CB ALA A 46 18.976 33.085 15.021 1.00 0.00 C ATOM 0 H ALA A 46 21.605 34.077 16.369 1.00 0.00 H new ATOM 0 HA ALA A 46 19.419 34.661 16.401 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.913 33.322 14.980 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.489 33.573 14.192 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.110 32.006 14.946 1.00 0.00 H new ATOM 748 N GLY A 47 19.532 32.897 18.657 1.00 0.00 N ATOM 749 CA GLY A 47 19.003 32.317 19.888 1.00 0.00 C ATOM 750 C GLY A 47 18.701 30.819 19.772 1.00 0.00 C ATOM 751 O GLY A 47 18.091 30.250 20.677 1.00 0.00 O ATOM 0 H GLY A 47 20.470 33.286 18.752 1.00 0.00 H new ATOM 0 HA2 GLY A 47 19.721 32.474 20.693 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.090 32.844 20.167 1.00 0.00 H new ATOM 755 N LYS A 48 19.124 30.172 18.678 1.00 0.00 N ATOM 756 CA LYS A 48 18.869 28.728 18.500 1.00 0.00 C ATOM 757 C LYS A 48 20.165 27.928 18.460 1.00 0.00 C ATOM 758 O LYS A 48 21.155 28.351 17.859 1.00 0.00 O ATOM 759 CB LYS A 48 18.099 28.481 17.202 1.00 0.00 C ATOM 760 CG LYS A 48 17.680 27.009 17.124 1.00 0.00 C ATOM 761 CD LYS A 48 16.724 26.830 15.944 1.00 0.00 C ATOM 762 CE LYS A 48 16.220 25.387 15.894 1.00 0.00 C ATOM 763 NZ LYS A 48 17.345 24.479 15.539 1.00 0.00 N ATOM 0 H LYS A 48 19.636 30.612 17.913 1.00 0.00 H new ATOM 0 HA LYS A 48 18.280 28.398 19.356 1.00 0.00 H new ATOM 0 HB2 LYS A 48 17.219 29.123 17.162 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.720 28.738 16.344 1.00 0.00 H new ATOM 0 HG2 LYS A 48 18.557 26.373 16.999 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.195 26.705 18.052 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.882 27.515 16.041 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.232 27.079 15.012 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.801 25.104 16.859 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.420 25.296 15.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.976 23.524 15.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.823 24.835 14.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.023 24.443 16.326 1.00 0.00 H new ATOM 777 N GLN A 49 20.136 26.753 19.088 1.00 0.00 N ATOM 778 CA GLN A 49 21.287 25.869 19.116 1.00 0.00 C ATOM 779 C GLN A 49 21.388 25.097 17.802 1.00 0.00 C ATOM 780 O GLN A 49 20.392 24.568 17.309 1.00 0.00 O ATOM 781 CB GLN A 49 21.149 24.883 20.274 1.00 0.00 C ATOM 782 CG GLN A 49 21.206 25.633 21.605 1.00 0.00 C ATOM 783 CD GLN A 49 20.987 24.665 22.764 1.00 0.00 C ATOM 784 OE1 GLN A 49 20.162 24.921 23.642 1.00 0.00 O ATOM 785 NE2 GLN A 49 21.680 23.561 22.820 1.00 0.00 N ATOM 0 H GLN A 49 19.320 26.395 19.585 1.00 0.00 H new ATOM 0 HA GLN A 49 22.188 26.467 19.250 1.00 0.00 H new ATOM 0 HB2 GLN A 49 20.207 24.341 20.192 1.00 0.00 H new ATOM 0 HB3 GLN A 49 21.947 24.142 20.229 1.00 0.00 H new ATOM 0 HG2 GLN A 49 22.172 26.127 21.712 1.00 0.00 H new ATOM 0 HG3 GLN A 49 20.445 26.413 21.624 1.00 0.00 H new ATOM 0 HE21 GLN A 49 22.363 23.350 22.092 1.00 0.00 H new ATOM 0 HE22 GLN A 49 21.539 22.909 23.591 1.00 0.00 H new ATOM 794 N LEU A 50 22.585 25.048 17.230 1.00 0.00 N ATOM 795 CA LEU A 50 22.781 24.346 15.963 1.00 0.00 C ATOM 796 C LEU A 50 22.789 22.830 16.170 1.00 0.00 C ATOM 797 O LEU A 50 23.538 22.307 16.997 1.00 0.00 O ATOM 798 CB LEU A 50 24.094 24.792 15.314 1.00 0.00 C ATOM 799 CG LEU A 50 24.220 26.316 15.417 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.464 26.779 14.655 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.975 26.980 14.815 1.00 0.00 C ATOM 0 H LEU A 50 23.426 25.479 17.615 1.00 0.00 H new ATOM 0 HA LEU A 50 21.950 24.596 15.304 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.938 24.312 15.808 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.119 24.484 14.269 1.00 0.00 H new ATOM 0 HG LEU A 50 24.309 26.600 16.466 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.553 27.863 14.728 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.350 26.312 15.086 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.376 26.492 13.607 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.068 28.063 14.890 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.882 26.696 13.767 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.089 26.653 15.360 1.00 0.00 H new ATOM 813 N GLU A 51 21.934 22.136 15.418 1.00 0.00 N ATOM 814 CA GLU A 51 21.823 20.680 15.523 1.00 0.00 C ATOM 815 C GLU A 51 22.910 19.972 14.718 1.00 0.00 C ATOM 816 O GLU A 51 23.218 20.341 13.581 1.00 0.00 O ATOM 817 CB GLU A 51 20.442 20.224 15.023 1.00 0.00 C ATOM 818 CG GLU A 51 19.415 20.356 16.149 1.00 0.00 C ATOM 819 CD GLU A 51 18.040 19.913 15.657 1.00 0.00 C ATOM 820 OE1 GLU A 51 17.990 19.054 14.792 1.00 0.00 O ATOM 821 OE2 GLU A 51 17.058 20.439 16.153 1.00 0.00 O ATOM 0 H GLU A 51 21.309 22.557 14.731 1.00 0.00 H new ATOM 0 HA GLU A 51 21.948 20.414 16.573 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.137 20.827 14.168 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.491 19.190 14.683 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.718 19.748 17.002 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.371 21.389 16.493 1.00 0.00 H new ATOM 828 N ASP A 52 23.464 18.928 15.316 1.00 0.00 N ATOM 829 CA ASP A 52 24.495 18.146 14.667 1.00 0.00 C ATOM 830 C ASP A 52 23.931 17.425 13.445 1.00 0.00 C ATOM 831 O ASP A 52 22.839 16.859 13.498 1.00 0.00 O ATOM 832 CB ASP A 52 25.062 17.120 15.650 1.00 0.00 C ATOM 833 CG ASP A 52 25.727 17.833 16.822 1.00 0.00 C ATOM 834 OD1 ASP A 52 26.287 18.895 16.603 1.00 0.00 O ATOM 835 OD2 ASP A 52 25.666 17.309 17.922 1.00 0.00 O ATOM 0 H ASP A 52 23.214 18.606 16.251 1.00 0.00 H new ATOM 0 HA ASP A 52 25.289 18.819 14.343 1.00 0.00 H new ATOM 0 HB2 ASP A 52 24.264 16.472 16.013 1.00 0.00 H new ATOM 0 HB3 ASP A 52 25.786 16.481 15.144 1.00 0.00 H new ATOM 840 N GLY A 53 24.686 17.440 12.348 1.00 0.00 N ATOM 841 CA GLY A 53 24.261 16.773 11.117 1.00 0.00 C ATOM 842 C GLY A 53 23.606 17.747 10.137 1.00 0.00 C ATOM 843 O GLY A 53 23.354 17.393 8.986 1.00 0.00 O ATOM 0 H GLY A 53 25.592 17.905 12.285 1.00 0.00 H new ATOM 0 HA2 GLY A 53 25.123 16.305 10.642 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.559 15.976 11.360 1.00 0.00 H new ATOM 847 N ARG A 54 23.341 18.978 10.585 1.00 0.00 N ATOM 848 CA ARG A 54 22.727 19.979 9.704 1.00 0.00 C ATOM 849 C ARG A 54 23.800 20.841 9.039 1.00 0.00 C ATOM 850 O ARG A 54 24.916 20.958 9.543 1.00 0.00 O ATOM 851 CB ARG A 54 21.779 20.876 10.500 1.00 0.00 C ATOM 852 CG ARG A 54 20.678 20.024 11.138 1.00 0.00 C ATOM 853 CD ARG A 54 19.516 20.924 11.566 1.00 0.00 C ATOM 854 NE ARG A 54 18.733 21.323 10.401 1.00 0.00 N ATOM 855 CZ ARG A 54 17.611 22.021 10.538 1.00 0.00 C ATOM 856 NH1 ARG A 54 16.906 22.338 9.486 1.00 0.00 N ATOM 857 NH2 ARG A 54 17.220 22.398 11.724 1.00 0.00 N ATOM 0 H ARG A 54 23.537 19.302 11.532 1.00 0.00 H new ATOM 0 HA ARG A 54 22.165 19.452 8.933 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.332 21.411 11.272 1.00 0.00 H new ATOM 0 HB3 ARG A 54 21.338 21.627 9.845 1.00 0.00 H new ATOM 0 HG2 ARG A 54 20.328 19.274 10.429 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.073 19.488 12.001 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.880 20.396 12.277 1.00 0.00 H new ATOM 0 HD3 ARG A 54 19.899 21.808 12.076 1.00 0.00 H new ATOM 0 HE ARG A 54 19.052 21.062 9.468 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.217 22.050 8.558 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.045 22.874 9.592 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.776 22.157 12.545 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.359 22.934 11.831 1.00 0.00 H new ATOM 871 N THR A 55 23.451 21.448 7.903 1.00 0.00 N ATOM 872 CA THR A 55 24.382 22.313 7.170 1.00 0.00 C ATOM 873 C THR A 55 24.059 23.775 7.455 1.00 0.00 C ATOM 874 O THR A 55 22.964 24.088 7.911 1.00 0.00 O ATOM 875 CB THR A 55 24.265 22.047 5.666 1.00 0.00 C ATOM 876 OG1 THR A 55 22.898 22.108 5.284 1.00 0.00 O ATOM 877 CG2 THR A 55 24.827 20.659 5.342 1.00 0.00 C ATOM 0 H THR A 55 22.532 21.358 7.470 1.00 0.00 H new ATOM 0 HA THR A 55 25.400 22.097 7.495 1.00 0.00 H new ATOM 0 HB THR A 55 24.832 22.800 5.118 1.00 0.00 H new ATOM 0 HG1 THR A 55 22.819 21.940 4.322 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.742 20.473 4.271 1.00 0.00 H new ATOM 0 HG22 THR A 55 25.876 20.613 5.636 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.264 19.902 5.888 1.00 0.00 H new ATOM 885 N LEU A 56 25.002 24.674 7.183 1.00 0.00 N ATOM 886 CA LEU A 56 24.753 26.092 7.429 1.00 0.00 C ATOM 887 C LEU A 56 23.559 26.561 6.593 1.00 0.00 C ATOM 888 O LEU A 56 22.729 27.329 7.078 1.00 0.00 O ATOM 889 CB LEU A 56 26.010 26.939 7.120 1.00 0.00 C ATOM 890 CG LEU A 56 26.899 27.068 8.373 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.501 25.703 8.725 1.00 0.00 C ATOM 892 CD2 LEU A 56 28.024 28.076 8.097 1.00 0.00 C ATOM 0 H LEU A 56 25.922 24.455 6.802 1.00 0.00 H new ATOM 0 HA LEU A 56 24.518 26.227 8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 56 26.577 26.477 6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.712 27.929 6.775 1.00 0.00 H new ATOM 0 HG LEU A 56 26.296 27.417 9.211 1.00 0.00 H new ATOM 0 HD11 LEU A 56 28.128 25.800 9.611 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.699 24.992 8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 56 28.104 25.345 7.891 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.654 28.169 8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 56 28.626 27.728 7.257 1.00 0.00 H new ATOM 0 HD23 LEU A 56 27.591 29.047 7.856 1.00 0.00 H new ATOM 904 N SER A 57 23.476 26.113 5.336 1.00 0.00 N ATOM 905 CA SER A 57 22.371 26.518 4.469 1.00 0.00 C ATOM 906 C SER A 57 21.048 26.409 5.212 1.00 0.00 C ATOM 907 O SER A 57 20.164 27.251 5.049 1.00 0.00 O ATOM 908 CB SER A 57 22.317 25.634 3.221 1.00 0.00 C ATOM 909 OG SER A 57 23.570 25.681 2.554 1.00 0.00 O ATOM 0 H SER A 57 24.150 25.481 4.904 1.00 0.00 H new ATOM 0 HA SER A 57 22.538 27.553 4.172 1.00 0.00 H new ATOM 0 HB2 SER A 57 22.079 24.607 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.525 25.975 2.554 1.00 0.00 H new ATOM 0 HG SER A 57 24.263 25.975 3.181 1.00 0.00 H new ATOM 915 N ASP A 58 20.917 25.374 6.038 1.00 0.00 N ATOM 916 CA ASP A 58 19.696 25.184 6.805 1.00 0.00 C ATOM 917 C ASP A 58 19.410 26.445 7.609 1.00 0.00 C ATOM 918 O ASP A 58 18.277 26.922 7.666 1.00 0.00 O ATOM 919 CB ASP A 58 19.857 23.992 7.755 1.00 0.00 C ATOM 920 CG ASP A 58 20.103 22.713 6.959 1.00 0.00 C ATOM 921 OD1 ASP A 58 19.896 22.737 5.757 1.00 0.00 O ATOM 922 OD2 ASP A 58 20.494 21.728 7.564 1.00 0.00 O ATOM 0 H ASP A 58 21.633 24.664 6.190 1.00 0.00 H new ATOM 0 HA ASP A 58 18.867 24.986 6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 58 20.689 24.171 8.436 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.962 23.882 8.367 1.00 0.00 H new ATOM 927 N TYR A 59 20.466 26.983 8.214 1.00 0.00 N ATOM 928 CA TYR A 59 20.379 28.202 9.015 1.00 0.00 C ATOM 929 C TYR A 59 20.951 29.377 8.223 1.00 0.00 C ATOM 930 O TYR A 59 22.161 29.473 8.079 1.00 0.00 O ATOM 931 CB TYR A 59 21.203 28.020 10.292 1.00 0.00 C ATOM 932 CG TYR A 59 20.666 26.853 11.089 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.392 25.654 11.163 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.445 26.972 11.760 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.894 24.578 11.909 1.00 0.00 C ATOM 936 CE2 TYR A 59 18.947 25.897 12.504 1.00 0.00 C ATOM 937 CZ TYR A 59 19.670 24.701 12.579 1.00 0.00 C ATOM 938 OH TYR A 59 19.176 23.644 13.316 1.00 0.00 O ATOM 0 H TYR A 59 21.405 26.587 8.163 1.00 0.00 H new ATOM 0 HA TYR A 59 19.336 28.400 9.264 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.249 27.848 10.039 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.166 28.929 10.892 1.00 0.00 H new ATOM 0 HD1 TYR A 59 22.335 25.561 10.645 1.00 0.00 H new ATOM 0 HD2 TYR A 59 18.886 27.894 11.704 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.453 23.656 11.967 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.003 25.990 13.021 1.00 0.00 H new ATOM 0 HH TYR A 59 19.501 23.708 14.238 1.00 0.00 H new ATOM 948 N ASN A 60 20.073 30.218 7.660 1.00 0.00 N ATOM 949 CA ASN A 60 20.497 31.359 6.824 1.00 0.00 C ATOM 950 C ASN A 60 21.596 32.231 7.465 1.00 0.00 C ATOM 951 O ASN A 60 21.382 33.410 7.752 1.00 0.00 O ATOM 952 CB ASN A 60 19.288 32.237 6.481 1.00 0.00 C ATOM 953 CG ASN A 60 18.552 32.648 7.751 1.00 0.00 C ATOM 954 OD1 ASN A 60 17.424 32.068 8.057 1.00 0.00 O flip ATOM 955 ND2 ASN A 60 19.014 33.525 8.481 1.00 0.00 N flip ATOM 0 H ASN A 60 19.062 30.133 7.766 1.00 0.00 H new ATOM 0 HA ASN A 60 20.929 30.924 5.923 1.00 0.00 H new ATOM 0 HB2 ASN A 60 19.617 33.125 5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.612 31.694 5.821 1.00 0.00 H new ATOM 0 HD21 ASN A 60 19.896 33.977 8.240 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.515 33.800 9.327 1.00 0.00 H new ATOM 962 N ILE A 61 22.773 31.638 7.653 1.00 0.00 N ATOM 963 CA ILE A 61 23.931 32.332 8.218 1.00 0.00 C ATOM 964 C ILE A 61 24.799 32.853 7.073 1.00 0.00 C ATOM 965 O ILE A 61 25.501 32.077 6.427 1.00 0.00 O ATOM 966 CB ILE A 61 24.757 31.351 9.058 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.939 30.865 10.258 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.030 32.038 9.558 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.629 29.642 10.870 1.00 0.00 C ATOM 0 H ILE A 61 22.952 30.662 7.418 1.00 0.00 H new ATOM 0 HA ILE A 61 23.594 33.158 8.845 1.00 0.00 H new ATOM 0 HB ILE A 61 25.024 30.497 8.435 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.852 31.659 11.000 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.927 30.609 9.945 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.612 31.336 10.154 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.623 32.370 8.706 1.00 0.00 H new ATOM 0 HG23 ILE A 61 25.762 32.899 10.171 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.053 29.289 11.725 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.693 28.850 10.124 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.632 29.916 11.196 1.00 0.00 H new ATOM 981 N GLN A 62 24.738 34.157 6.798 1.00 0.00 N ATOM 982 CA GLN A 62 25.517 34.725 5.693 1.00 0.00 C ATOM 983 C GLN A 62 26.949 35.050 6.100 1.00 0.00 C ATOM 984 O GLN A 62 27.305 35.019 7.278 1.00 0.00 O ATOM 985 CB GLN A 62 24.845 35.987 5.157 1.00 0.00 C ATOM 986 CG GLN A 62 23.486 35.625 4.558 1.00 0.00 C ATOM 987 CD GLN A 62 22.750 36.892 4.140 1.00 0.00 C ATOM 988 OE1 GLN A 62 23.352 37.801 3.567 1.00 0.00 O ATOM 989 NE2 GLN A 62 21.477 37.008 4.396 1.00 0.00 N ATOM 0 H GLN A 62 24.170 34.830 7.313 1.00 0.00 H new ATOM 0 HA GLN A 62 25.554 33.965 4.913 1.00 0.00 H new ATOM 0 HB2 GLN A 62 24.719 36.714 5.960 1.00 0.00 H new ATOM 0 HB3 GLN A 62 25.475 36.454 4.400 1.00 0.00 H new ATOM 0 HG2 GLN A 62 23.621 34.971 3.696 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.893 35.073 5.287 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.981 36.253 4.871 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.977 37.853 4.122 1.00 0.00 H new ATOM 998 N LYS A 63 27.766 35.339 5.091 1.00 0.00 N ATOM 999 CA LYS A 63 29.174 35.644 5.315 1.00 0.00 C ATOM 1000 C LYS A 63 29.358 36.834 6.250 1.00 0.00 C ATOM 1001 O LYS A 63 28.548 37.762 6.276 1.00 0.00 O ATOM 1002 CB LYS A 63 29.893 35.903 3.981 1.00 0.00 C ATOM 1003 CG LYS A 63 29.282 37.100 3.240 1.00 0.00 C ATOM 1004 CD LYS A 63 29.909 37.180 1.842 1.00 0.00 C ATOM 1005 CE LYS A 63 29.467 38.463 1.134 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.984 38.471 0.997 1.00 0.00 N ATOM 0 H LYS A 63 27.477 35.368 4.113 1.00 0.00 H new ATOM 0 HA LYS A 63 29.619 34.773 5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.951 36.089 4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 63 29.831 35.014 3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.201 36.986 3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.468 38.022 3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.996 37.156 1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.614 36.311 1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.795 39.335 1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.934 38.528 0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.700 39.230 0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.665 37.555 0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.550 38.634 1.928 1.00 0.00 H new ATOM 1020 N GLU A 64 30.451 36.786 7.007 1.00 0.00 N ATOM 1021 CA GLU A 64 30.797 37.845 7.948 1.00 0.00 C ATOM 1022 C GLU A 64 29.698 38.079 8.982 1.00 0.00 C ATOM 1023 O GLU A 64 29.058 39.131 8.995 1.00 0.00 O ATOM 1024 CB GLU A 64 31.102 39.135 7.189 1.00 0.00 C ATOM 1025 CG GLU A 64 32.366 38.925 6.350 1.00 0.00 C ATOM 1026 CD GLU A 64 32.584 40.107 5.413 1.00 0.00 C ATOM 1027 OE1 GLU A 64 31.600 40.681 4.976 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.732 40.420 5.144 1.00 0.00 O ATOM 0 H GLU A 64 31.119 36.015 6.985 1.00 0.00 H new ATOM 0 HA GLU A 64 31.685 37.526 8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 64 30.263 39.403 6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 64 31.245 39.959 7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.229 38.808 7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 64 32.278 38.006 5.771 1.00 0.00 H new HETATM 1035 N SEP A 65 29.512 37.101 9.874 1.00 0.00 N HETATM 1036 CA SEP A 65 28.523 37.197 10.950 1.00 0.00 C HETATM 1037 CB SEP A 65 27.338 36.273 10.660 1.00 0.00 C HETATM 1038 OG SEP A 65 26.642 36.743 9.507 1.00 0.00 O HETATM 1039 C SEP A 65 29.192 36.784 12.258 1.00 0.00 C HETATM 1040 O SEP A 65 30.214 36.096 12.235 1.00 0.00 O HETATM 1041 P SEP A 65 25.396 37.635 9.652 1.00 0.00 P HETATM 1042 O1P SEP A 65 25.939 39.030 10.113 1.00 0.00 O HETATM 1043 O2P SEP A 65 24.507 36.927 10.732 1.00 0.00 O HETATM 1044 O3P SEP A 65 24.738 37.663 8.230 1.00 0.00 O HETATM 0 HB3 SEP A 65 27.689 35.254 10.496 1.00 0.00 H new HETATM 0 HB2 SEP A 65 26.666 36.245 11.518 1.00 0.00 H new HETATM 0 HA SEP A 65 28.154 38.220 11.023 1.00 0.00 H new ATOM 1049 N THR A 66 28.635 37.191 13.399 1.00 0.00 N ATOM 1050 CA THR A 66 29.226 36.828 14.693 1.00 0.00 C ATOM 1051 C THR A 66 28.476 35.655 15.315 1.00 0.00 C ATOM 1052 O THR A 66 27.266 35.720 15.531 1.00 0.00 O ATOM 1053 CB THR A 66 29.188 38.024 15.645 1.00 0.00 C ATOM 1054 OG1 THR A 66 29.883 39.112 15.053 1.00 0.00 O ATOM 1055 CG2 THR A 66 29.863 37.643 16.965 1.00 0.00 C ATOM 0 H THR A 66 27.791 37.761 13.458 1.00 0.00 H new ATOM 0 HA THR A 66 30.262 36.535 14.525 1.00 0.00 H new ATOM 0 HB THR A 66 28.154 38.311 15.837 1.00 0.00 H new ATOM 0 HG1 THR A 66 29.861 39.883 15.658 1.00 0.00 H new ATOM 0 HG21 THR A 66 29.837 38.494 17.646 1.00 0.00 H new ATOM 0 HG22 THR A 66 29.334 36.803 17.415 1.00 0.00 H new ATOM 0 HG23 THR A 66 30.899 37.361 16.776 1.00 0.00 H new ATOM 1063 N LEU A 67 29.212 34.581 15.608 1.00 0.00 N ATOM 1064 CA LEU A 67 28.628 33.381 16.214 1.00 0.00 C ATOM 1065 C LEU A 67 28.928 33.362 17.712 1.00 0.00 C ATOM 1066 O LEU A 67 29.957 33.882 18.144 1.00 0.00 O ATOM 1067 CB LEU A 67 29.226 32.127 15.553 1.00 0.00 C ATOM 1068 CG LEU A 67 28.515 31.834 14.221 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.048 31.417 14.468 1.00 0.00 C ATOM 1070 CD2 LEU A 67 28.564 33.086 13.331 1.00 0.00 C ATOM 0 H LEU A 67 30.215 34.517 15.435 1.00 0.00 H new ATOM 0 HA LEU A 67 27.549 33.391 16.063 1.00 0.00 H new ATOM 0 HB2 LEU A 67 30.292 32.273 15.379 1.00 0.00 H new ATOM 0 HB3 LEU A 67 29.126 31.272 16.222 1.00 0.00 H new ATOM 0 HG LEU A 67 29.025 31.011 13.721 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.562 31.214 13.514 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.024 30.519 15.086 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.522 32.223 14.979 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.061 32.881 12.386 1.00 0.00 H new ATOM 0 HD22 LEU A 67 28.064 33.912 13.837 1.00 0.00 H new ATOM 0 HD23 LEU A 67 29.603 33.355 13.138 1.00 0.00 H new ATOM 1082 N HIS A 68 28.035 32.763 18.512 1.00 0.00 N ATOM 1083 CA HIS A 68 28.250 32.699 19.957 1.00 0.00 C ATOM 1084 C HIS A 68 28.866 31.350 20.338 1.00 0.00 C ATOM 1085 O HIS A 68 28.281 30.301 20.069 1.00 0.00 O ATOM 1086 CB HIS A 68 26.918 32.879 20.687 1.00 0.00 C ATOM 1087 CG HIS A 68 26.434 34.293 20.504 1.00 0.00 C ATOM 1088 ND1 HIS A 68 25.563 34.652 19.487 1.00 0.00 N ATOM 1089 CD2 HIS A 68 26.690 35.448 21.202 1.00 0.00 C ATOM 1090 CE1 HIS A 68 25.329 35.973 19.600 1.00 0.00 C ATOM 1091 NE2 HIS A 68 25.991 36.507 20.629 1.00 0.00 N ATOM 0 H HIS A 68 27.173 32.324 18.187 1.00 0.00 H new ATOM 0 HA HIS A 68 28.933 33.497 20.248 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.180 32.177 20.298 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.039 32.659 21.748 1.00 0.00 H new ATOM 0 HD2 HIS A 68 27.336 35.523 22.065 1.00 0.00 H new ATOM 0 HE1 HIS A 68 24.684 36.533 18.939 1.00 0.00 H new ATOM 0 HE2 HIS A 68 25.986 37.481 20.931 1.00 0.00 H new ATOM 1100 N LEU A 69 30.049 31.375 20.967 1.00 0.00 N ATOM 1101 CA LEU A 69 30.728 30.164 21.381 1.00 0.00 C ATOM 1102 C LEU A 69 30.684 30.069 22.892 1.00 0.00 C ATOM 1103 O LEU A 69 31.307 30.854 23.607 1.00 0.00 O ATOM 1104 CB LEU A 69 32.182 30.192 20.896 1.00 0.00 C ATOM 1105 CG LEU A 69 32.789 28.782 20.942 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.184 28.807 20.305 1.00 0.00 C ATOM 1107 CD2 LEU A 69 32.899 28.300 22.400 1.00 0.00 C ATOM 0 H LEU A 69 30.550 32.234 21.196 1.00 0.00 H new ATOM 0 HA LEU A 69 30.233 29.295 20.947 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.225 30.580 19.878 1.00 0.00 H new ATOM 0 HB3 LEU A 69 32.767 30.867 21.520 1.00 0.00 H new ATOM 0 HG LEU A 69 32.144 28.098 20.390 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.616 27.807 20.337 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.105 29.135 19.269 1.00 0.00 H new ATOM 0 HD13 LEU A 69 34.823 29.496 20.856 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.331 27.299 22.421 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.537 28.982 22.962 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.907 28.277 22.851 1.00 0.00 H new ATOM 1119 N VAL A 70 29.939 29.091 23.360 1.00 0.00 N ATOM 1120 CA VAL A 70 29.784 28.845 24.791 1.00 0.00 C ATOM 1121 C VAL A 70 30.114 27.393 25.099 1.00 0.00 C ATOM 1122 O VAL A 70 29.987 26.525 24.236 1.00 0.00 O ATOM 1123 CB VAL A 70 28.350 29.154 25.221 1.00 0.00 C ATOM 1124 CG1 VAL A 70 27.382 28.234 24.476 1.00 0.00 C ATOM 1125 CG2 VAL A 70 28.211 28.931 26.728 1.00 0.00 C ATOM 0 H VAL A 70 29.422 28.442 22.767 1.00 0.00 H new ATOM 0 HA VAL A 70 30.466 29.493 25.341 1.00 0.00 H new ATOM 0 HB VAL A 70 28.116 30.192 24.984 1.00 0.00 H new ATOM 0 HG11 VAL A 70 26.360 28.455 24.784 1.00 0.00 H new ATOM 0 HG12 VAL A 70 27.481 28.395 23.402 1.00 0.00 H new ATOM 0 HG13 VAL A 70 27.614 27.195 24.710 1.00 0.00 H new ATOM 0 HG21 VAL A 70 27.189 29.151 27.036 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.446 27.893 26.965 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.899 29.589 27.258 1.00 0.00 H new ATOM 1135 N LEU A 71 30.552 27.133 26.328 1.00 0.00 N ATOM 1136 CA LEU A 71 30.912 25.775 26.739 1.00 0.00 C ATOM 1137 C LEU A 71 29.998 25.298 27.859 1.00 0.00 C ATOM 1138 O LEU A 71 29.205 26.067 28.403 1.00 0.00 O ATOM 1139 CB LEU A 71 32.376 25.738 27.211 1.00 0.00 C ATOM 1140 CG LEU A 71 32.734 27.061 27.925 1.00 0.00 C ATOM 1141 CD1 LEU A 71 33.791 26.798 29.002 1.00 0.00 C ATOM 1142 CD2 LEU A 71 33.288 28.072 26.905 1.00 0.00 C ATOM 0 H LEU A 71 30.667 27.839 27.055 1.00 0.00 H new ATOM 0 HA LEU A 71 30.794 25.111 25.883 1.00 0.00 H new ATOM 0 HB2 LEU A 71 32.527 24.897 27.888 1.00 0.00 H new ATOM 0 HB3 LEU A 71 33.038 25.584 26.359 1.00 0.00 H new ATOM 0 HG LEU A 71 31.835 27.468 28.388 1.00 0.00 H new ATOM 0 HD11 LEU A 71 34.041 27.733 29.503 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.399 26.089 29.731 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.687 26.384 28.539 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.539 29.003 27.414 1.00 0.00 H new ATOM 0 HD22 LEU A 71 34.183 27.663 26.436 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.535 28.268 26.141 1.00 0.00 H new ATOM 1154 N ARG A 72 30.124 24.023 28.196 1.00 0.00 N ATOM 1155 CA ARG A 72 29.313 23.439 29.254 1.00 0.00 C ATOM 1156 C ARG A 72 29.852 23.850 30.619 1.00 0.00 C ATOM 1157 O ARG A 72 29.094 24.242 31.505 1.00 0.00 O ATOM 1158 CB ARG A 72 29.319 21.915 29.135 1.00 0.00 C ATOM 1159 CG ARG A 72 28.538 21.497 27.887 1.00 0.00 C ATOM 1160 CD ARG A 72 28.401 19.974 27.859 1.00 0.00 C ATOM 1161 NE ARG A 72 29.713 19.352 27.730 1.00 0.00 N ATOM 1162 CZ ARG A 72 29.860 18.033 27.813 1.00 0.00 C ATOM 1163 NH1 ARG A 72 31.044 17.500 27.692 1.00 0.00 N ATOM 1164 NH2 ARG A 72 28.819 17.273 28.017 1.00 0.00 N ATOM 0 H ARG A 72 30.777 23.376 27.755 1.00 0.00 H new ATOM 0 HA ARG A 72 28.291 23.803 29.152 1.00 0.00 H new ATOM 0 HB2 ARG A 72 30.344 21.548 29.075 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.872 21.469 30.023 1.00 0.00 H new ATOM 0 HG2 ARG A 72 27.552 21.962 27.889 1.00 0.00 H new ATOM 0 HG3 ARG A 72 29.052 21.843 26.990 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.915 19.629 28.772 1.00 0.00 H new ATOM 0 HD3 ARG A 72 27.765 19.674 27.026 1.00 0.00 H new ATOM 0 HE ARG A 72 30.533 19.939 27.573 1.00 0.00 H new ATOM 0 HH11 ARG A 72 31.857 18.095 27.534 1.00 0.00 H new ATOM 0 HH12 ARG A 72 31.157 16.488 27.756 1.00 0.00 H new ATOM 0 HH21 ARG A 72 27.893 17.691 28.113 1.00 0.00 H new ATOM 0 HH22 ARG A 72 28.931 16.261 28.081 1.00 0.00 H new ATOM 1178 N LEU A 73 31.168 23.760 30.779 1.00 0.00 N ATOM 1179 CA LEU A 73 31.799 24.127 32.040 1.00 0.00 C ATOM 1180 C LEU A 73 31.733 25.639 32.242 1.00 0.00 C ATOM 1181 O LEU A 73 31.506 26.393 31.295 1.00 0.00 O ATOM 1182 CB LEU A 73 33.264 23.665 32.051 1.00 0.00 C ATOM 1183 CG LEU A 73 33.338 22.155 32.317 1.00 0.00 C ATOM 1184 CD1 LEU A 73 32.679 21.389 31.165 1.00 0.00 C ATOM 1185 CD2 LEU A 73 34.806 21.730 32.435 1.00 0.00 C ATOM 0 H LEU A 73 31.813 23.439 30.057 1.00 0.00 H new ATOM 0 HA LEU A 73 31.264 23.637 32.853 1.00 0.00 H new ATOM 0 HB2 LEU A 73 33.734 23.897 31.095 1.00 0.00 H new ATOM 0 HB3 LEU A 73 33.818 24.205 32.819 1.00 0.00 H new ATOM 0 HG LEU A 73 32.813 21.929 33.245 1.00 0.00 H new ATOM 0 HD11 LEU A 73 32.735 20.318 31.361 1.00 0.00 H new ATOM 0 HD12 LEU A 73 31.634 21.688 31.080 1.00 0.00 H new ATOM 0 HD13 LEU A 73 33.198 21.615 30.234 1.00 0.00 H new ATOM 0 HD21 LEU A 73 34.860 20.658 32.624 1.00 0.00 H new ATOM 0 HD22 LEU A 73 35.328 21.962 31.506 1.00 0.00 H new ATOM 0 HD23 LEU A 73 35.275 22.268 33.259 1.00 0.00 H new ATOM 1197 N ARG A 74 31.930 26.074 33.482 1.00 0.00 N ATOM 1198 CA ARG A 74 31.889 27.497 33.801 1.00 0.00 C ATOM 1199 C ARG A 74 32.421 27.745 35.209 1.00 0.00 C ATOM 1200 O ARG A 74 33.487 28.334 35.385 1.00 0.00 O ATOM 1201 CB ARG A 74 30.454 28.014 33.696 1.00 0.00 C ATOM 1202 CG ARG A 74 30.437 29.526 33.928 1.00 0.00 C ATOM 1203 CD ARG A 74 29.061 30.083 33.561 1.00 0.00 C ATOM 1204 NE ARG A 74 28.825 29.944 32.128 1.00 0.00 N ATOM 1205 CZ ARG A 74 27.730 30.438 31.560 1.00 0.00 C ATOM 1206 NH1 ARG A 74 27.540 30.299 30.277 1.00 0.00 N ATOM 1207 NH2 ARG A 74 26.845 31.064 32.287 1.00 0.00 N ATOM 0 H ARG A 74 32.119 25.466 34.279 1.00 0.00 H new ATOM 0 HA ARG A 74 32.519 28.029 33.088 1.00 0.00 H new ATOM 0 HB2 ARG A 74 30.044 27.782 32.713 1.00 0.00 H new ATOM 0 HB3 ARG A 74 29.822 27.516 34.431 1.00 0.00 H new ATOM 0 HG2 ARG A 74 30.664 29.747 34.971 1.00 0.00 H new ATOM 0 HG3 ARG A 74 31.208 30.006 33.325 1.00 0.00 H new ATOM 0 HD2 ARG A 74 28.287 29.554 34.117 1.00 0.00 H new ATOM 0 HD3 ARG A 74 28.998 31.133 33.847 1.00 0.00 H new ATOM 0 HE ARG A 74 29.513 29.459 31.552 1.00 0.00 H new ATOM 0 HH11 ARG A 74 28.232 29.811 29.709 1.00 0.00 H new ATOM 0 HH12 ARG A 74 26.699 30.679 29.842 1.00 0.00 H new ATOM 0 HH21 ARG A 74 26.994 31.174 33.290 1.00 0.00 H new ATOM 0 HH22 ARG A 74 26.004 31.444 31.852 1.00 0.00 H new ATOM 1221 N GLY A 75 31.672 27.289 36.208 1.00 0.00 N ATOM 1222 CA GLY A 75 32.081 27.467 37.597 1.00 0.00 C ATOM 1223 C GLY A 75 30.931 27.162 38.550 1.00 0.00 C ATOM 1224 O GLY A 75 31.106 26.455 39.543 1.00 0.00 O ATOM 0 H GLY A 75 30.787 26.798 36.084 1.00 0.00 H new ATOM 0 HA2 GLY A 75 32.924 26.812 37.818 1.00 0.00 H new ATOM 0 HA3 GLY A 75 32.423 28.490 37.750 1.00 0.00 H new ATOM 1228 N GLY A 76 29.755 27.701 38.244 1.00 0.00 N ATOM 1229 CA GLY A 76 28.584 27.480 39.085 1.00 0.00 C ATOM 1230 C GLY A 76 28.289 25.992 39.232 1.00 0.00 C ATOM 1231 O GLY A 76 28.867 25.378 40.114 1.00 0.00 O ATOM 1232 OXT GLY A 76 27.488 25.488 38.462 1.00 0.00 O ATOM 0 H GLY A 76 29.588 28.289 37.427 1.00 0.00 H new ATOM 0 HA2 GLY A 76 28.750 27.920 40.068 1.00 0.00 H new ATOM 0 HA3 GLY A 76 27.720 27.984 38.652 1.00 0.00 H new TER 1236 GLY A 76