USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 624 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 0 GLN : amide:sc= 1.64 K(o=10,f=-11!) USER MOD Set 1.2: A -2 SER N :NH3+ 180:sc= 2.43 (180deg=0) USER MOD Set 1.3: A -2 SER OG : rot -64:sc= 2.01 USER MOD Set 1.4: A 74 SER OG : rot 85:sc= 1.93 USER MOD Set 1.5: A 75 GLN : amide:sc= 2.04 K(o=10,f=1.2) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -165:sc= 0.703 (180deg=0) USER MOD Set 2.2: A 30 GLN : amide:sc= 0.63 K(o=1.3,f=-5.3!) USER MOD Set 3.1: A 25 LYS NZ :NH3+ 172:sc= 0.69 (180deg=-0.269) USER MOD Set 3.2: A 51 GLN : amide:sc= 3.1 K(o=3.8,f=-5.3) USER MOD Single : A 1 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00653) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0457 USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= 0.222 (180deg=0.0226) USER MOD Single : A 8 SER OG : rot 67:sc= 1.15 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 24:sc= 1.23 USER MOD Single : A 21 ASN : amide:sc= 0.35 K(o=0.35,f=-0.78) USER MOD Single : A 22 GLN : amide:sc= 1.05 K(o=1,f=-0.61) USER MOD Single : A 24 SER OG : rot 80:sc= 1.27 USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= -0.0048 (180deg=-0.104) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0255 USER MOD Single : A 41 LYS NZ :NH3+ -170:sc= 0.709 (180deg=0.556) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= -0.0291 (180deg=-0.248) USER MOD Single : A 56 ASN : amide:sc= 1.01 K(o=1,f=-0.11) USER MOD Single : A 62 SER OG : rot -70:sc= 1.15 USER MOD Single : A 67 GLN : amide:sc= 0.89 K(o=0.89,f=-1.7) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.272) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -2 -1.025 10.705 3.468 1.00 0.00 N ATOM 2 CA SER A -2 -0.431 11.743 4.327 1.00 0.00 C ATOM 3 C SER A -2 -0.341 13.038 3.515 1.00 0.00 C ATOM 4 O SER A -2 -1.041 13.155 2.512 1.00 0.00 O ATOM 5 CB SER A -2 0.932 11.274 4.872 1.00 0.00 C ATOM 6 OG SER A -2 1.122 9.900 4.587 1.00 0.00 O ATOM 0 H1 SER A -2 -1.096 9.814 3.999 1.00 0.00 H new ATOM 0 H2 SER A -2 -1.974 11.005 3.166 1.00 0.00 H new ATOM 0 H3 SER A -2 -0.425 10.562 2.631 1.00 0.00 H new ATOM 0 HA SER A -2 -1.053 11.931 5.202 1.00 0.00 H new ATOM 0 HB2 SER A -2 1.733 11.861 4.423 1.00 0.00 H new ATOM 0 HB3 SER A -2 0.979 11.440 5.948 1.00 0.00 H new ATOM 0 HG SER A -2 0.449 9.371 5.064 1.00 0.00 H new ATOM 14 N ALA A -1 0.501 13.997 3.907 1.00 0.00 N ATOM 15 CA ALA A -1 0.652 15.248 3.176 1.00 0.00 C ATOM 16 C ALA A -1 1.552 15.084 1.941 1.00 0.00 C ATOM 17 O ALA A -1 2.510 15.836 1.775 1.00 0.00 O ATOM 18 CB ALA A -1 1.190 16.319 4.133 1.00 0.00 C ATOM 0 H ALA A -1 1.092 13.925 4.735 1.00 0.00 H new ATOM 0 HA ALA A -1 -0.322 15.560 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A -1 1.307 17.261 3.597 1.00 0.00 H new ATOM 0 HB2 ALA A -1 0.490 16.456 4.957 1.00 0.00 H new ATOM 0 HB3 ALA A -1 2.156 16.003 4.527 1.00 0.00 H new ATOM 24 N GLN A 0 1.260 14.124 1.052 1.00 0.00 N ATOM 25 CA GLN A 0 2.039 13.941 -0.174 1.00 0.00 C ATOM 26 C GLN A 0 1.611 15.017 -1.181 1.00 0.00 C ATOM 27 O GLN A 0 1.024 14.713 -2.216 1.00 0.00 O ATOM 28 CB GLN A 0 1.868 12.527 -0.758 1.00 0.00 C ATOM 29 CG GLN A 0 2.605 11.430 0.026 1.00 0.00 C ATOM 30 CD GLN A 0 1.895 11.008 1.306 1.00 0.00 C ATOM 31 OE1 GLN A 0 0.687 11.173 1.457 1.00 0.00 O ATOM 32 NE2 GLN A 0 2.617 10.439 2.258 1.00 0.00 N ATOM 0 H GLN A 0 0.490 13.464 1.162 1.00 0.00 H new ATOM 0 HA GLN A 0 3.100 14.047 0.054 1.00 0.00 H new ATOM 0 HB2 GLN A 0 0.806 12.285 -0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 0 2.226 12.525 -1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 0 2.727 10.557 -0.616 1.00 0.00 H new ATOM 0 HG3 GLN A 0 3.605 11.784 0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 0 3.620 10.305 2.126 1.00 0.00 H new ATOM 0 HE22 GLN A 0 2.171 10.135 3.123 1.00 0.00 H new ATOM 41 N LYS A 1 1.894 16.285 -0.870 1.00 0.00 N ATOM 42 CA LYS A 1 1.519 17.418 -1.707 1.00 0.00 C ATOM 43 C LYS A 1 2.158 17.361 -3.090 1.00 0.00 C ATOM 44 O LYS A 1 1.532 17.664 -4.102 1.00 0.00 O ATOM 45 CB LYS A 1 1.819 18.727 -0.960 1.00 0.00 C ATOM 46 CG LYS A 1 1.384 19.993 -1.713 1.00 0.00 C ATOM 47 CD LYS A 1 -0.118 19.995 -2.039 1.00 0.00 C ATOM 48 CE LYS A 1 -0.579 21.361 -2.562 1.00 0.00 C ATOM 49 NZ LYS A 1 0.085 21.717 -3.828 1.00 0.00 N ATOM 0 H LYS A 1 2.394 16.552 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 1 0.446 17.372 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 1 1.319 18.703 0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 1 2.890 18.784 -0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 1 1.624 20.870 -1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 1 1.954 20.076 -2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -0.330 19.229 -2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -0.686 19.736 -1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -1.659 21.348 -2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -0.369 22.126 -1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -0.279 22.631 -4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 1.111 21.788 -3.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -0.108 20.984 -4.540 1.00 0.00 H new ATOM 63 N SER A 2 3.425 16.975 -3.100 1.00 0.00 N ATOM 64 CA SER A 2 4.269 16.834 -4.280 1.00 0.00 C ATOM 65 C SER A 2 5.691 16.498 -3.832 1.00 0.00 C ATOM 66 O SER A 2 6.118 16.970 -2.776 1.00 0.00 O ATOM 67 CB SER A 2 4.256 18.132 -5.112 1.00 0.00 C ATOM 68 OG SER A 2 5.420 18.267 -5.911 1.00 0.00 O ATOM 0 H SER A 2 3.920 16.739 -2.240 1.00 0.00 H new ATOM 0 HA SER A 2 3.886 16.031 -4.909 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.374 18.142 -5.753 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.174 18.989 -4.444 1.00 0.00 H new ATOM 0 HG SER A 2 5.370 19.101 -6.423 1.00 0.00 H new ATOM 74 N PRO A 3 6.447 15.715 -4.619 1.00 0.00 N ATOM 75 CA PRO A 3 7.833 15.419 -4.312 1.00 0.00 C ATOM 76 C PRO A 3 8.632 16.724 -4.259 1.00 0.00 C ATOM 77 O PRO A 3 9.519 16.865 -3.424 1.00 0.00 O ATOM 78 CB PRO A 3 8.319 14.477 -5.418 1.00 0.00 C ATOM 79 CG PRO A 3 7.380 14.775 -6.588 1.00 0.00 C ATOM 80 CD PRO A 3 6.064 15.118 -5.890 1.00 0.00 C ATOM 0 HA PRO A 3 7.959 14.942 -3.340 1.00 0.00 H new ATOM 0 HB2 PRO A 3 9.359 14.671 -5.680 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.257 13.433 -5.111 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.743 15.604 -7.196 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.274 13.916 -7.250 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.471 15.811 -6.487 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.455 14.227 -5.738 1.00 0.00 H new ATOM 88 N ALA A 4 8.311 17.690 -5.129 1.00 0.00 N ATOM 89 CA ALA A 4 9.002 18.974 -5.149 1.00 0.00 C ATOM 90 C ALA A 4 8.778 19.736 -3.850 1.00 0.00 C ATOM 91 O ALA A 4 9.660 20.420 -3.334 1.00 0.00 O ATOM 92 CB ALA A 4 8.576 19.793 -6.369 1.00 0.00 C ATOM 0 H ALA A 4 7.574 17.601 -5.828 1.00 0.00 H new ATOM 0 HA ALA A 4 10.073 18.789 -5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.102 20.748 -6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.821 19.245 -7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.501 19.970 -6.331 1.00 0.00 H new ATOM 98 N GLU A 5 7.575 19.590 -3.317 1.00 0.00 N ATOM 99 CA GLU A 5 7.171 20.214 -2.067 1.00 0.00 C ATOM 100 C GLU A 5 7.967 19.542 -0.944 1.00 0.00 C ATOM 101 O GLU A 5 8.605 20.218 -0.137 1.00 0.00 O ATOM 102 CB GLU A 5 5.646 20.119 -1.906 1.00 0.00 C ATOM 103 CG GLU A 5 5.086 21.144 -0.911 1.00 0.00 C ATOM 104 CD GLU A 5 5.492 20.877 0.533 1.00 0.00 C ATOM 105 OE1 GLU A 5 5.483 19.688 0.916 1.00 0.00 O ATOM 106 OE2 GLU A 5 5.792 21.874 1.224 1.00 0.00 O ATOM 0 H GLU A 5 6.841 19.027 -3.747 1.00 0.00 H new ATOM 0 HA GLU A 5 7.395 21.280 -2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.173 20.267 -2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.383 19.115 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.426 22.139 -1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.998 21.147 -0.979 1.00 0.00 H new ATOM 113 N LEU A 6 7.957 18.205 -0.911 1.00 0.00 N ATOM 114 CA LEU A 6 8.717 17.451 0.082 1.00 0.00 C ATOM 115 C LEU A 6 10.198 17.814 0.025 1.00 0.00 C ATOM 116 O LEU A 6 10.871 17.949 1.046 1.00 0.00 O ATOM 117 CB LEU A 6 8.478 15.941 -0.060 1.00 0.00 C ATOM 118 CG LEU A 6 7.022 15.520 0.217 1.00 0.00 C ATOM 119 CD1 LEU A 6 6.852 14.033 -0.116 1.00 0.00 C ATOM 120 CD2 LEU A 6 6.613 15.755 1.677 1.00 0.00 C ATOM 0 H LEU A 6 7.429 17.625 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 6 8.357 17.731 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.752 15.631 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.138 15.411 0.626 1.00 0.00 H new ATOM 0 HG LEU A 6 6.379 16.136 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.823 13.732 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.086 13.867 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.526 13.442 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.579 15.442 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.261 15.176 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.708 16.814 1.915 1.00 0.00 H new ATOM 132 N LYS A 7 10.692 17.994 -1.191 1.00 0.00 N ATOM 133 CA LYS A 7 12.061 18.407 -1.450 1.00 0.00 C ATOM 134 C LYS A 7 12.271 19.803 -0.860 1.00 0.00 C ATOM 135 O LYS A 7 13.246 20.020 -0.149 1.00 0.00 O ATOM 136 CB LYS A 7 12.400 18.331 -2.945 1.00 0.00 C ATOM 137 CG LYS A 7 13.871 18.708 -3.182 1.00 0.00 C ATOM 138 CD LYS A 7 14.357 18.338 -4.590 1.00 0.00 C ATOM 139 CE LYS A 7 15.092 16.990 -4.622 1.00 0.00 C ATOM 140 NZ LYS A 7 14.247 15.873 -4.168 1.00 0.00 N ATOM 0 H LYS A 7 10.142 17.854 -2.039 1.00 0.00 H new ATOM 0 HA LYS A 7 12.754 17.720 -0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.212 17.323 -3.316 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.751 19.003 -3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.997 19.780 -3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.495 18.205 -2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.504 18.299 -5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.021 19.119 -4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.435 16.792 -5.637 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.979 17.049 -3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.660 14.973 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.191 15.880 -3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.292 15.976 -4.567 1.00 0.00 H new ATOM 154 N SER A 8 11.365 20.747 -1.129 1.00 0.00 N ATOM 155 CA SER A 8 11.455 22.096 -0.577 1.00 0.00 C ATOM 156 C SER A 8 11.566 22.025 0.949 1.00 0.00 C ATOM 157 O SER A 8 12.417 22.681 1.545 1.00 0.00 O ATOM 158 CB SER A 8 10.254 22.944 -1.010 1.00 0.00 C ATOM 159 OG SER A 8 10.158 22.991 -2.421 1.00 0.00 O ATOM 0 H SER A 8 10.555 20.597 -1.731 1.00 0.00 H new ATOM 0 HA SER A 8 12.351 22.579 -0.966 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.338 22.527 -0.592 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.354 23.954 -0.613 1.00 0.00 H new ATOM 0 HG SER A 8 9.936 22.100 -2.764 1.00 0.00 H new ATOM 165 N ILE A 9 10.711 21.213 1.583 1.00 0.00 N ATOM 166 CA ILE A 9 10.749 21.021 3.028 1.00 0.00 C ATOM 167 C ILE A 9 12.133 20.490 3.425 1.00 0.00 C ATOM 168 O ILE A 9 12.822 21.097 4.238 1.00 0.00 O ATOM 169 CB ILE A 9 9.590 20.105 3.470 1.00 0.00 C ATOM 170 CG1 ILE A 9 8.261 20.874 3.357 1.00 0.00 C ATOM 171 CG2 ILE A 9 9.790 19.594 4.902 1.00 0.00 C ATOM 172 CD1 ILE A 9 7.033 20.032 3.722 1.00 0.00 C ATOM 0 H ILE A 9 9.983 20.678 1.110 1.00 0.00 H new ATOM 0 HA ILE A 9 10.604 21.967 3.549 1.00 0.00 H new ATOM 0 HB ILE A 9 9.568 19.235 2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.299 21.747 4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.149 21.242 2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.954 18.952 5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.719 19.026 4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.840 20.441 5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.133 20.638 3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.970 19.173 3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.122 19.686 4.752 1.00 0.00 H new ATOM 184 N PHE A 10 12.549 19.363 2.843 1.00 0.00 N ATOM 185 CA PHE A 10 13.841 18.727 3.091 1.00 0.00 C ATOM 186 C PHE A 10 14.989 19.750 3.031 1.00 0.00 C ATOM 187 O PHE A 10 15.842 19.818 3.920 1.00 0.00 O ATOM 188 CB PHE A 10 14.009 17.606 2.056 1.00 0.00 C ATOM 189 CG PHE A 10 15.325 16.861 2.083 1.00 0.00 C ATOM 190 CD1 PHE A 10 16.451 17.407 1.438 1.00 0.00 C ATOM 191 CD2 PHE A 10 15.380 15.552 2.592 1.00 0.00 C ATOM 192 CE1 PHE A 10 17.635 16.663 1.342 1.00 0.00 C ATOM 193 CE2 PHE A 10 16.549 14.790 2.439 1.00 0.00 C ATOM 194 CZ PHE A 10 17.681 15.347 1.829 1.00 0.00 C ATOM 0 H PHE A 10 11.979 18.855 2.167 1.00 0.00 H new ATOM 0 HA PHE A 10 13.874 18.306 4.096 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.204 16.885 2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.879 18.035 1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 10 16.402 18.400 1.017 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.524 15.133 3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 10 18.513 17.103 0.893 1.00 0.00 H new ATOM 0 HE2 PHE A 10 16.576 13.770 2.793 1.00 0.00 H new ATOM 0 HZ PHE A 10 18.586 14.766 1.734 1.00 0.00 H new ATOM 204 N GLU A 11 14.999 20.558 1.969 1.00 0.00 N ATOM 205 CA GLU A 11 16.002 21.584 1.743 1.00 0.00 C ATOM 206 C GLU A 11 16.122 22.543 2.929 1.00 0.00 C ATOM 207 O GLU A 11 17.221 23.024 3.188 1.00 0.00 O ATOM 208 CB GLU A 11 15.720 22.320 0.429 1.00 0.00 C ATOM 209 CG GLU A 11 16.072 21.422 -0.769 1.00 0.00 C ATOM 210 CD GLU A 11 15.670 22.023 -2.114 1.00 0.00 C ATOM 211 OE1 GLU A 11 14.934 23.035 -2.106 1.00 0.00 O ATOM 212 OE2 GLU A 11 16.102 21.448 -3.136 1.00 0.00 O ATOM 0 H GLU A 11 14.295 20.512 1.233 1.00 0.00 H new ATOM 0 HA GLU A 11 16.972 21.096 1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.669 22.606 0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.303 23.240 0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.146 21.233 -0.770 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.579 20.457 -0.648 1.00 0.00 H new ATOM 219 N LYS A 12 15.031 22.818 3.658 1.00 0.00 N ATOM 220 CA LYS A 12 15.068 23.718 4.806 1.00 0.00 C ATOM 221 C LYS A 12 16.156 23.293 5.796 1.00 0.00 C ATOM 222 O LYS A 12 16.869 24.141 6.331 1.00 0.00 O ATOM 223 CB LYS A 12 13.690 23.768 5.487 1.00 0.00 C ATOM 224 CG LYS A 12 13.596 24.748 6.667 1.00 0.00 C ATOM 225 CD LYS A 12 13.884 26.199 6.261 1.00 0.00 C ATOM 226 CE LYS A 12 13.586 27.141 7.432 1.00 0.00 C ATOM 227 NZ LYS A 12 13.857 28.543 7.075 1.00 0.00 N ATOM 0 H LYS A 12 14.110 22.424 3.467 1.00 0.00 H new ATOM 0 HA LYS A 12 15.313 24.720 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.941 24.042 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.437 22.768 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.599 24.689 7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.301 24.446 7.441 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.926 26.300 5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.274 26.472 5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.543 27.035 7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.194 26.859 8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.646 29.155 7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.858 28.647 6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.259 28.818 6.270 1.00 0.00 H new ATOM 241 N TYR A 13 16.284 21.984 6.038 1.00 0.00 N ATOM 242 CA TYR A 13 17.285 21.466 6.959 1.00 0.00 C ATOM 243 C TYR A 13 18.571 21.177 6.188 1.00 0.00 C ATOM 244 O TYR A 13 19.645 21.611 6.601 1.00 0.00 O ATOM 245 CB TYR A 13 16.800 20.220 7.720 1.00 0.00 C ATOM 246 CG TYR A 13 15.314 20.141 7.997 1.00 0.00 C ATOM 247 CD1 TYR A 13 14.461 19.630 7.005 1.00 0.00 C ATOM 248 CD2 TYR A 13 14.784 20.499 9.250 1.00 0.00 C ATOM 249 CE1 TYR A 13 13.080 19.567 7.222 1.00 0.00 C ATOM 250 CE2 TYR A 13 13.390 20.544 9.426 1.00 0.00 C ATOM 251 CZ TYR A 13 12.535 20.074 8.414 1.00 0.00 C ATOM 252 OH TYR A 13 11.198 19.989 8.658 1.00 0.00 O ATOM 0 H TYR A 13 15.702 21.267 5.604 1.00 0.00 H new ATOM 0 HA TYR A 13 17.475 22.225 7.718 1.00 0.00 H new ATOM 0 HB2 TYR A 13 17.090 19.337 7.151 1.00 0.00 H new ATOM 0 HB3 TYR A 13 17.329 20.173 8.672 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.873 19.284 6.069 1.00 0.00 H new ATOM 0 HD2 TYR A 13 15.444 20.738 10.071 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.434 19.130 6.475 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.975 20.941 10.341 1.00 0.00 H new ATOM 0 HH TYR A 13 10.817 19.251 8.138 1.00 0.00 H new ATOM 262 N ALA A 14 18.472 20.445 5.070 1.00 0.00 N ATOM 263 CA ALA A 14 19.645 20.064 4.286 1.00 0.00 C ATOM 264 C ALA A 14 20.541 21.261 3.954 1.00 0.00 C ATOM 265 O ALA A 14 21.759 21.183 4.101 1.00 0.00 O ATOM 266 CB ALA A 14 19.238 19.258 3.044 1.00 0.00 C ATOM 0 H ALA A 14 17.588 20.106 4.691 1.00 0.00 H new ATOM 0 HA ALA A 14 20.257 19.408 4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 14 20.129 18.987 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 14 18.715 18.353 3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.580 19.861 2.418 1.00 0.00 H new ATOM 272 N ALA A 15 19.948 22.383 3.533 1.00 0.00 N ATOM 273 CA ALA A 15 20.685 23.595 3.192 1.00 0.00 C ATOM 274 C ALA A 15 21.669 24.032 4.284 1.00 0.00 C ATOM 275 O ALA A 15 22.673 24.665 3.964 1.00 0.00 O ATOM 276 CB ALA A 15 19.713 24.726 2.855 1.00 0.00 C ATOM 0 H ALA A 15 18.938 22.472 3.420 1.00 0.00 H new ATOM 0 HA ALA A 15 21.289 23.361 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 15 20.275 25.625 2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 15 19.095 24.434 2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 15 19.075 24.927 3.716 1.00 0.00 H new ATOM 282 N LYS A 16 21.423 23.701 5.559 1.00 0.00 N ATOM 283 CA LYS A 16 22.332 24.073 6.641 1.00 0.00 C ATOM 284 C LYS A 16 23.739 23.509 6.399 1.00 0.00 C ATOM 285 O LYS A 16 24.727 24.094 6.836 1.00 0.00 O ATOM 286 CB LYS A 16 21.784 23.593 7.990 1.00 0.00 C ATOM 287 CG LYS A 16 20.441 24.254 8.328 1.00 0.00 C ATOM 288 CD LYS A 16 19.988 23.822 9.726 1.00 0.00 C ATOM 289 CE LYS A 16 18.614 24.416 10.047 1.00 0.00 C ATOM 290 NZ LYS A 16 18.220 24.124 11.436 1.00 0.00 N ATOM 0 H LYS A 16 20.602 23.177 5.862 1.00 0.00 H new ATOM 0 HA LYS A 16 22.405 25.160 6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.661 22.510 7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.506 23.815 8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.538 25.339 8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.691 23.973 7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.943 22.734 9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.716 24.149 10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.636 25.495 9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.870 24.010 9.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.203 24.307 11.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.420 23.126 11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.759 24.733 12.085 1.00 0.00 H new ATOM 304 N GLU A 17 23.832 22.379 5.691 1.00 0.00 N ATOM 305 CA GLU A 17 25.089 21.720 5.363 1.00 0.00 C ATOM 306 C GLU A 17 25.729 22.297 4.099 1.00 0.00 C ATOM 307 O GLU A 17 26.775 21.824 3.656 1.00 0.00 O ATOM 308 CB GLU A 17 24.784 20.254 5.080 1.00 0.00 C ATOM 309 CG GLU A 17 24.083 19.587 6.268 1.00 0.00 C ATOM 310 CD GLU A 17 23.958 18.079 6.112 1.00 0.00 C ATOM 311 OE1 GLU A 17 24.439 17.535 5.094 1.00 0.00 O ATOM 312 OE2 GLU A 17 23.395 17.482 7.054 1.00 0.00 O ATOM 0 H GLU A 17 23.015 21.891 5.325 1.00 0.00 H new ATOM 0 HA GLU A 17 25.774 21.861 6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.154 20.177 4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 17 25.711 19.725 4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 17 24.637 19.808 7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 17 23.089 20.019 6.386 1.00 0.00 H new ATOM 319 N GLY A 18 25.087 23.277 3.471 1.00 0.00 N ATOM 320 CA GLY A 18 25.550 23.867 2.229 1.00 0.00 C ATOM 321 C GLY A 18 24.990 22.991 1.119 1.00 0.00 C ATOM 322 O GLY A 18 24.216 23.459 0.290 1.00 0.00 O ATOM 0 H GLY A 18 24.220 23.686 3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 18 25.200 24.895 2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 18 26.639 23.896 2.192 1.00 0.00 H new ATOM 326 N ASP A 19 25.360 21.706 1.130 1.00 0.00 N ATOM 327 CA ASP A 19 24.846 20.712 0.196 1.00 0.00 C ATOM 328 C ASP A 19 23.348 20.547 0.497 1.00 0.00 C ATOM 329 O ASP A 19 23.013 20.046 1.567 1.00 0.00 O ATOM 330 CB ASP A 19 25.596 19.387 0.405 1.00 0.00 C ATOM 331 CG ASP A 19 25.061 18.234 -0.446 1.00 0.00 C ATOM 332 OD1 ASP A 19 24.073 18.448 -1.184 1.00 0.00 O ATOM 333 OD2 ASP A 19 25.651 17.138 -0.338 1.00 0.00 O ATOM 0 H ASP A 19 26.033 21.328 1.797 1.00 0.00 H new ATOM 0 HA ASP A 19 24.989 21.018 -0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 19 26.651 19.537 0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 19 25.536 19.108 1.457 1.00 0.00 H new ATOM 338 N PRO A 20 22.436 20.939 -0.405 1.00 0.00 N ATOM 339 CA PRO A 20 21.007 20.858 -0.145 1.00 0.00 C ATOM 340 C PRO A 20 20.445 19.442 -0.319 1.00 0.00 C ATOM 341 O PRO A 20 19.240 19.262 -0.150 1.00 0.00 O ATOM 342 CB PRO A 20 20.388 21.819 -1.163 1.00 0.00 C ATOM 343 CG PRO A 20 21.310 21.668 -2.373 1.00 0.00 C ATOM 344 CD PRO A 20 22.685 21.510 -1.723 1.00 0.00 C ATOM 0 HA PRO A 20 20.779 21.117 0.889 1.00 0.00 H new ATOM 0 HB2 PRO A 20 19.359 21.548 -1.402 1.00 0.00 H new ATOM 0 HB3 PRO A 20 20.370 22.844 -0.793 1.00 0.00 H new ATOM 0 HG2 PRO A 20 21.046 20.802 -2.979 1.00 0.00 H new ATOM 0 HG3 PRO A 20 21.268 22.539 -3.027 1.00 0.00 H new ATOM 0 HD2 PRO A 20 23.326 20.859 -2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 20 23.193 22.471 -1.644 1.00 0.00 H new ATOM 352 N ASN A 21 21.271 18.443 -0.668 1.00 0.00 N ATOM 353 CA ASN A 21 20.808 17.084 -0.930 1.00 0.00 C ATOM 354 C ASN A 21 20.923 16.106 0.246 1.00 0.00 C ATOM 355 O ASN A 21 20.570 14.937 0.088 1.00 0.00 O ATOM 356 CB ASN A 21 21.514 16.550 -2.186 1.00 0.00 C ATOM 357 CG ASN A 21 20.952 15.202 -2.629 1.00 0.00 C ATOM 358 OD1 ASN A 21 19.764 15.079 -2.908 1.00 0.00 O ATOM 359 ND2 ASN A 21 21.796 14.177 -2.696 1.00 0.00 N ATOM 0 H ASN A 21 22.278 18.562 -0.775 1.00 0.00 H new ATOM 0 HA ASN A 21 19.732 17.152 -1.093 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.407 17.271 -2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 21 22.581 16.450 -1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 21 21.461 13.258 -2.986 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.779 14.309 -2.458 1.00 0.00 H new ATOM 366 N GLN A 22 21.376 16.533 1.429 1.00 0.00 N ATOM 367 CA GLN A 22 21.431 15.629 2.573 1.00 0.00 C ATOM 368 C GLN A 22 21.102 16.335 3.852 1.00 0.00 C ATOM 369 O GLN A 22 21.331 17.536 3.951 1.00 0.00 O ATOM 370 CB GLN A 22 22.831 15.075 2.866 1.00 0.00 C ATOM 371 CG GLN A 22 23.721 14.820 1.648 1.00 0.00 C ATOM 372 CD GLN A 22 24.970 14.039 2.045 1.00 0.00 C ATOM 373 OE1 GLN A 22 25.248 12.984 1.484 1.00 0.00 O ATOM 374 NE2 GLN A 22 25.722 14.541 3.021 1.00 0.00 N ATOM 0 H GLN A 22 21.703 17.481 1.614 1.00 0.00 H new ATOM 0 HA GLN A 22 20.727 14.845 2.293 1.00 0.00 H new ATOM 0 HB2 GLN A 22 23.345 15.773 3.527 1.00 0.00 H new ATOM 0 HB3 GLN A 22 22.722 14.139 3.414 1.00 0.00 H new ATOM 0 HG2 GLN A 22 23.163 14.264 0.894 1.00 0.00 H new ATOM 0 HG3 GLN A 22 24.008 15.770 1.196 1.00 0.00 H new ATOM 0 HE21 GLN A 22 25.460 15.421 3.465 1.00 0.00 H new ATOM 0 HE22 GLN A 22 26.560 14.046 3.325 1.00 0.00 H new ATOM 383 N LEU A 23 20.650 15.557 4.836 1.00 0.00 N ATOM 384 CA LEU A 23 20.475 16.049 6.166 1.00 0.00 C ATOM 385 C LEU A 23 21.055 15.020 7.135 1.00 0.00 C ATOM 386 O LEU A 23 20.769 13.828 7.027 1.00 0.00 O ATOM 387 CB LEU A 23 19.046 16.504 6.477 1.00 0.00 C ATOM 388 CG LEU A 23 17.947 16.069 5.510 1.00 0.00 C ATOM 389 CD1 LEU A 23 17.633 14.585 5.694 1.00 0.00 C ATOM 390 CD2 LEU A 23 16.674 16.875 5.776 1.00 0.00 C ATOM 0 H LEU A 23 20.401 14.575 4.715 1.00 0.00 H new ATOM 0 HA LEU A 23 21.031 16.979 6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 23 18.785 16.140 7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 23 19.042 17.593 6.525 1.00 0.00 H new ATOM 0 HG LEU A 23 18.296 16.244 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.848 14.290 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 23 18.530 13.997 5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 23 17.297 14.408 6.716 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.893 16.561 5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.342 16.703 6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 23 16.879 17.936 5.634 1.00 0.00 H new ATOM 402 N SER A 24 21.900 15.477 8.059 1.00 0.00 N ATOM 403 CA SER A 24 22.560 14.636 9.044 1.00 0.00 C ATOM 404 C SER A 24 21.733 14.540 10.323 1.00 0.00 C ATOM 405 O SER A 24 20.688 15.179 10.427 1.00 0.00 O ATOM 406 CB SER A 24 23.968 15.186 9.315 1.00 0.00 C ATOM 407 OG SER A 24 24.668 15.314 8.092 1.00 0.00 O ATOM 0 H SER A 24 22.147 16.463 8.141 1.00 0.00 H new ATOM 0 HA SER A 24 22.652 13.623 8.653 1.00 0.00 H new ATOM 0 HB2 SER A 24 23.902 16.154 9.812 1.00 0.00 H new ATOM 0 HB3 SER A 24 24.508 14.519 9.987 1.00 0.00 H new ATOM 0 HG SER A 24 24.389 16.138 7.640 1.00 0.00 H new ATOM 413 N LYS A 25 22.203 13.743 11.291 1.00 0.00 N ATOM 414 CA LYS A 25 21.574 13.530 12.597 1.00 0.00 C ATOM 415 C LYS A 25 20.862 14.774 13.147 1.00 0.00 C ATOM 416 O LYS A 25 19.704 14.703 13.548 1.00 0.00 O ATOM 417 CB LYS A 25 22.631 13.077 13.616 1.00 0.00 C ATOM 418 CG LYS A 25 23.085 11.624 13.426 1.00 0.00 C ATOM 419 CD LYS A 25 24.107 11.283 14.521 1.00 0.00 C ATOM 420 CE LYS A 25 24.394 9.781 14.621 1.00 0.00 C ATOM 421 NZ LYS A 25 24.995 9.245 13.392 1.00 0.00 N ATOM 0 H LYS A 25 23.065 13.209 11.180 1.00 0.00 H new ATOM 0 HA LYS A 25 20.815 12.762 12.446 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.499 13.732 13.542 1.00 0.00 H new ATOM 0 HB3 LYS A 25 22.227 13.194 14.622 1.00 0.00 H new ATOM 0 HG2 LYS A 25 22.230 10.950 13.483 1.00 0.00 H new ATOM 0 HG3 LYS A 25 23.529 11.492 12.439 1.00 0.00 H new ATOM 0 HD2 LYS A 25 25.038 11.813 14.320 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.737 11.642 15.481 1.00 0.00 H new ATOM 0 HE2 LYS A 25 25.064 9.597 15.461 1.00 0.00 H new ATOM 0 HE3 LYS A 25 23.466 9.249 14.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 25.295 8.262 13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 24.295 9.272 12.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 25.821 9.821 13.130 1.00 0.00 H new ATOM 435 N GLU A 26 21.560 15.912 13.175 1.00 0.00 N ATOM 436 CA GLU A 26 21.044 17.169 13.698 1.00 0.00 C ATOM 437 C GLU A 26 19.811 17.618 12.906 1.00 0.00 C ATOM 438 O GLU A 26 18.726 17.799 13.458 1.00 0.00 O ATOM 439 CB GLU A 26 22.143 18.246 13.662 1.00 0.00 C ATOM 440 CG GLU A 26 23.357 17.932 14.560 1.00 0.00 C ATOM 441 CD GLU A 26 24.268 16.814 14.049 1.00 0.00 C ATOM 442 OE1 GLU A 26 24.216 16.529 12.831 1.00 0.00 O ATOM 443 OE2 GLU A 26 24.991 16.246 14.896 1.00 0.00 O ATOM 0 H GLU A 26 22.516 15.982 12.827 1.00 0.00 H new ATOM 0 HA GLU A 26 20.740 17.020 14.734 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.486 18.367 12.634 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.713 19.200 13.969 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.950 18.840 14.674 1.00 0.00 H new ATOM 0 HG3 GLU A 26 22.996 17.661 15.552 1.00 0.00 H new ATOM 450 N GLU A 27 19.992 17.793 11.596 1.00 0.00 N ATOM 451 CA GLU A 27 18.948 18.221 10.682 1.00 0.00 C ATOM 452 C GLU A 27 17.747 17.278 10.797 1.00 0.00 C ATOM 453 O GLU A 27 16.606 17.722 10.898 1.00 0.00 O ATOM 454 CB GLU A 27 19.491 18.217 9.248 1.00 0.00 C ATOM 455 CG GLU A 27 20.492 19.342 8.930 1.00 0.00 C ATOM 456 CD GLU A 27 21.861 19.169 9.583 1.00 0.00 C ATOM 457 OE1 GLU A 27 22.199 18.009 9.910 1.00 0.00 O ATOM 458 OE2 GLU A 27 22.545 20.201 9.749 1.00 0.00 O ATOM 0 H GLU A 27 20.890 17.636 11.138 1.00 0.00 H new ATOM 0 HA GLU A 27 18.628 19.231 10.937 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.974 17.258 9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 27 18.651 18.292 8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 27 20.623 19.401 7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.067 20.292 9.252 1.00 0.00 H new ATOM 465 N LEU A 28 18.020 15.972 10.785 1.00 0.00 N ATOM 466 CA LEU A 28 17.017 14.928 10.903 1.00 0.00 C ATOM 467 C LEU A 28 16.250 15.082 12.210 1.00 0.00 C ATOM 468 O LEU A 28 15.024 15.094 12.201 1.00 0.00 O ATOM 469 CB LEU A 28 17.683 13.553 10.855 1.00 0.00 C ATOM 470 CG LEU A 28 18.153 13.182 9.445 1.00 0.00 C ATOM 471 CD1 LEU A 28 19.169 12.049 9.535 1.00 0.00 C ATOM 472 CD2 LEU A 28 16.984 12.699 8.579 1.00 0.00 C ATOM 0 H LEU A 28 18.969 15.609 10.690 1.00 0.00 H new ATOM 0 HA LEU A 28 16.321 15.017 10.069 1.00 0.00 H new ATOM 0 HB2 LEU A 28 18.535 13.541 11.534 1.00 0.00 H new ATOM 0 HB3 LEU A 28 16.981 12.799 11.211 1.00 0.00 H new ATOM 0 HG LEU A 28 18.592 14.071 8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 28 19.506 11.782 8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 28 20.023 12.372 10.131 1.00 0.00 H new ATOM 0 HD13 LEU A 28 18.706 11.182 10.005 1.00 0.00 H new ATOM 0 HD21 LEU A 28 17.349 12.443 7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 28 16.531 11.819 9.037 1.00 0.00 H new ATOM 0 HD23 LEU A 28 16.239 13.491 8.499 1.00 0.00 H new ATOM 484 N LYS A 29 16.954 15.197 13.339 1.00 0.00 N ATOM 485 CA LYS A 29 16.304 15.365 14.625 1.00 0.00 C ATOM 486 C LYS A 29 15.359 16.557 14.548 1.00 0.00 C ATOM 487 O LYS A 29 14.194 16.437 14.916 1.00 0.00 O ATOM 488 CB LYS A 29 17.341 15.559 15.743 1.00 0.00 C ATOM 489 CG LYS A 29 16.720 16.005 17.078 1.00 0.00 C ATOM 490 CD LYS A 29 15.760 14.944 17.640 1.00 0.00 C ATOM 491 CE LYS A 29 15.144 15.369 18.979 1.00 0.00 C ATOM 492 NZ LYS A 29 16.161 15.544 20.030 1.00 0.00 N ATOM 0 H LYS A 29 17.973 15.176 13.380 1.00 0.00 H new ATOM 0 HA LYS A 29 15.735 14.466 14.863 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.880 14.624 15.895 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.073 16.301 15.425 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.512 16.199 17.801 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.183 16.943 16.935 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.964 14.759 16.919 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.297 14.004 17.771 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.598 16.303 18.845 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.420 14.619 19.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.692 15.681 20.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.765 14.699 20.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.745 16.377 19.813 1.00 0.00 H new ATOM 506 N GLN A 30 15.851 17.705 14.071 1.00 0.00 N ATOM 507 CA GLN A 30 15.003 18.882 13.971 1.00 0.00 C ATOM 508 C GLN A 30 13.774 18.567 13.108 1.00 0.00 C ATOM 509 O GLN A 30 12.647 18.842 13.517 1.00 0.00 O ATOM 510 CB GLN A 30 15.785 20.084 13.433 1.00 0.00 C ATOM 511 CG GLN A 30 16.873 20.532 14.415 1.00 0.00 C ATOM 512 CD GLN A 30 17.614 21.753 13.885 1.00 0.00 C ATOM 513 OE1 GLN A 30 18.367 21.664 12.919 1.00 0.00 O ATOM 514 NE2 GLN A 30 17.405 22.913 14.502 1.00 0.00 N ATOM 0 H GLN A 30 16.812 17.837 13.756 1.00 0.00 H new ATOM 0 HA GLN A 30 14.657 19.153 14.968 1.00 0.00 H new ATOM 0 HB2 GLN A 30 16.241 19.825 12.477 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.100 20.911 13.246 1.00 0.00 H new ATOM 0 HG2 GLN A 30 16.424 20.765 15.380 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.578 19.717 14.580 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.774 22.959 15.302 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.876 23.757 14.175 1.00 0.00 H new ATOM 523 N LEU A 31 13.989 17.980 11.925 1.00 0.00 N ATOM 524 CA LEU A 31 12.919 17.546 11.033 1.00 0.00 C ATOM 525 C LEU A 31 11.858 16.784 11.810 1.00 0.00 C ATOM 526 O LEU A 31 10.687 17.143 11.808 1.00 0.00 O ATOM 527 CB LEU A 31 13.500 16.770 9.836 1.00 0.00 C ATOM 528 CG LEU A 31 12.502 16.423 8.717 1.00 0.00 C ATOM 529 CD1 LEU A 31 13.287 16.077 7.446 1.00 0.00 C ATOM 530 CD2 LEU A 31 11.596 15.225 9.046 1.00 0.00 C ATOM 0 H LEU A 31 14.923 17.793 11.560 1.00 0.00 H new ATOM 0 HA LEU A 31 12.413 18.414 10.609 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.311 17.357 9.405 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.939 15.844 10.206 1.00 0.00 H new ATOM 0 HG LEU A 31 11.862 17.296 8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.591 15.829 6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.893 16.933 7.148 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.936 15.223 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.920 15.040 8.211 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.210 14.341 9.218 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.015 15.443 9.942 1.00 0.00 H new ATOM 542 N ILE A 32 12.291 15.741 12.493 1.00 0.00 N ATOM 543 CA ILE A 32 11.428 14.896 13.304 1.00 0.00 C ATOM 544 C ILE A 32 10.640 15.725 14.312 1.00 0.00 C ATOM 545 O ILE A 32 9.411 15.786 14.283 1.00 0.00 O ATOM 546 CB ILE A 32 12.238 13.773 13.989 1.00 0.00 C ATOM 547 CG1 ILE A 32 12.803 12.738 13.001 1.00 0.00 C ATOM 548 CG2 ILE A 32 11.421 13.058 15.076 1.00 0.00 C ATOM 549 CD1 ILE A 32 11.737 11.960 12.223 1.00 0.00 C ATOM 0 H ILE A 32 13.269 15.450 12.501 1.00 0.00 H new ATOM 0 HA ILE A 32 10.704 14.417 12.645 1.00 0.00 H new ATOM 0 HB ILE A 32 13.085 14.278 14.454 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.454 13.249 12.291 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.424 12.030 13.550 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.028 12.276 15.532 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.123 13.777 15.839 1.00 0.00 H new ATOM 0 HG23 ILE A 32 10.532 12.613 14.629 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.222 11.253 11.550 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.100 11.418 12.922 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.130 12.655 11.643 1.00 0.00 H new ATOM 561 N GLN A 33 11.400 16.338 15.208 1.00 0.00 N ATOM 562 CA GLN A 33 10.926 17.111 16.346 1.00 0.00 C ATOM 563 C GLN A 33 9.911 18.190 15.963 1.00 0.00 C ATOM 564 O GLN A 33 8.943 18.404 16.687 1.00 0.00 O ATOM 565 CB GLN A 33 12.108 17.660 17.178 1.00 0.00 C ATOM 566 CG GLN A 33 12.432 19.147 16.962 1.00 0.00 C ATOM 567 CD GLN A 33 13.714 19.589 17.665 1.00 0.00 C ATOM 568 OE1 GLN A 33 14.494 18.778 18.153 1.00 0.00 O ATOM 569 NE2 GLN A 33 13.953 20.896 17.722 1.00 0.00 N ATOM 0 H GLN A 33 12.418 16.308 15.157 1.00 0.00 H new ATOM 0 HA GLN A 33 10.372 16.425 16.987 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.891 17.503 18.234 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.997 17.074 16.945 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.525 19.341 15.893 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.600 19.750 17.324 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.291 21.554 17.310 1.00 0.00 H new ATOM 0 HE22 GLN A 33 14.798 21.241 18.178 1.00 0.00 H new ATOM 578 N ALA A 34 10.144 18.887 14.847 1.00 0.00 N ATOM 579 CA ALA A 34 9.294 19.982 14.402 1.00 0.00 C ATOM 580 C ALA A 34 8.199 19.547 13.428 1.00 0.00 C ATOM 581 O ALA A 34 7.048 19.949 13.573 1.00 0.00 O ATOM 582 CB ALA A 34 10.176 21.052 13.753 1.00 0.00 C ATOM 0 H ALA A 34 10.933 18.702 14.228 1.00 0.00 H new ATOM 0 HA ALA A 34 8.779 20.374 15.279 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.554 21.880 13.414 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.900 21.417 14.481 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.703 20.622 12.901 1.00 0.00 H new ATOM 588 N GLU A 35 8.556 18.751 12.419 1.00 0.00 N ATOM 589 CA GLU A 35 7.646 18.357 11.355 1.00 0.00 C ATOM 590 C GLU A 35 6.663 17.261 11.765 1.00 0.00 C ATOM 591 O GLU A 35 5.505 17.323 11.357 1.00 0.00 O ATOM 592 CB GLU A 35 8.460 17.950 10.119 1.00 0.00 C ATOM 593 CG GLU A 35 7.681 18.136 8.812 1.00 0.00 C ATOM 594 CD GLU A 35 8.494 17.639 7.622 1.00 0.00 C ATOM 595 OE1 GLU A 35 9.658 18.083 7.508 1.00 0.00 O ATOM 596 OE2 GLU A 35 7.944 16.826 6.849 1.00 0.00 O ATOM 0 H GLU A 35 9.493 18.361 12.321 1.00 0.00 H new ATOM 0 HA GLU A 35 7.024 19.220 11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.374 18.542 10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.760 16.906 10.214 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.737 17.593 8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.436 19.189 8.676 1.00 0.00 H new ATOM 603 N PHE A 36 7.084 16.255 12.541 1.00 0.00 N ATOM 604 CA PHE A 36 6.165 15.182 12.915 1.00 0.00 C ATOM 605 C PHE A 36 6.571 14.429 14.185 1.00 0.00 C ATOM 606 O PHE A 36 6.789 13.219 14.148 1.00 0.00 O ATOM 607 CB PHE A 36 5.894 14.252 11.716 1.00 0.00 C ATOM 608 CG PHE A 36 7.085 13.841 10.862 1.00 0.00 C ATOM 609 CD1 PHE A 36 7.852 12.710 11.203 1.00 0.00 C ATOM 610 CD2 PHE A 36 7.285 14.458 9.612 1.00 0.00 C ATOM 611 CE1 PHE A 36 8.786 12.186 10.292 1.00 0.00 C ATOM 612 CE2 PHE A 36 8.235 13.949 8.711 1.00 0.00 C ATOM 613 CZ PHE A 36 8.981 12.807 9.048 1.00 0.00 C ATOM 0 H PHE A 36 8.030 16.164 12.912 1.00 0.00 H new ATOM 0 HA PHE A 36 5.221 15.656 13.184 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.422 13.345 12.094 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.168 14.742 11.067 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.722 12.243 12.168 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.704 15.328 9.344 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.354 11.304 10.550 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.392 14.435 7.760 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.703 12.408 8.351 1.00 0.00 H new ATOM 623 N PRO A 37 6.642 15.116 15.336 1.00 0.00 N ATOM 624 CA PRO A 37 6.973 14.479 16.598 1.00 0.00 C ATOM 625 C PRO A 37 5.914 13.443 16.966 1.00 0.00 C ATOM 626 O PRO A 37 6.201 12.335 17.406 1.00 0.00 O ATOM 627 CB PRO A 37 7.076 15.612 17.625 1.00 0.00 C ATOM 628 CG PRO A 37 6.214 16.726 17.029 1.00 0.00 C ATOM 629 CD PRO A 37 6.394 16.531 15.523 1.00 0.00 C ATOM 0 HA PRO A 37 7.913 13.930 16.552 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.707 15.301 18.602 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.108 15.935 17.762 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.170 16.631 17.326 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.549 17.712 17.351 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.504 16.848 14.978 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.226 17.127 15.148 1.00 0.00 H new ATOM 637 N SER A 38 4.675 13.859 16.744 1.00 0.00 N ATOM 638 CA SER A 38 3.424 13.159 16.983 1.00 0.00 C ATOM 639 C SER A 38 3.462 11.707 16.506 1.00 0.00 C ATOM 640 O SER A 38 3.011 10.810 17.215 1.00 0.00 O ATOM 641 CB SER A 38 2.318 13.943 16.268 1.00 0.00 C ATOM 642 OG SER A 38 2.784 14.367 14.994 1.00 0.00 O ATOM 0 H SER A 38 4.506 14.786 16.354 1.00 0.00 H new ATOM 0 HA SER A 38 3.237 13.110 18.056 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.432 13.319 16.153 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.025 14.806 16.866 1.00 0.00 H new ATOM 0 HG SER A 38 2.076 14.867 14.536 1.00 0.00 H new ATOM 648 N LEU A 39 3.987 11.472 15.300 1.00 0.00 N ATOM 649 CA LEU A 39 4.072 10.127 14.747 1.00 0.00 C ATOM 650 C LEU A 39 4.891 9.216 15.665 1.00 0.00 C ATOM 651 O LEU A 39 4.586 8.029 15.790 1.00 0.00 O ATOM 652 CB LEU A 39 4.644 10.151 13.322 1.00 0.00 C ATOM 653 CG LEU A 39 3.763 10.909 12.312 1.00 0.00 C ATOM 654 CD1 LEU A 39 4.424 10.850 10.929 1.00 0.00 C ATOM 655 CD2 LEU A 39 2.349 10.327 12.200 1.00 0.00 C ATOM 0 H LEU A 39 4.359 12.201 14.691 1.00 0.00 H new ATOM 0 HA LEU A 39 3.063 9.719 14.686 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.632 10.610 13.345 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.777 9.126 12.976 1.00 0.00 H new ATOM 0 HG LEU A 39 3.672 11.934 12.671 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.806 11.385 10.207 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.410 11.313 10.977 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.527 9.810 10.619 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.775 10.902 11.474 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.408 9.288 11.875 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.857 10.376 13.172 1.00 0.00 H new ATOM 667 N LEU A 40 5.912 9.751 16.341 1.00 0.00 N ATOM 668 CA LEU A 40 6.732 8.964 17.248 1.00 0.00 C ATOM 669 C LEU A 40 6.047 8.869 18.610 1.00 0.00 C ATOM 670 O LEU A 40 6.607 9.246 19.639 1.00 0.00 O ATOM 671 CB LEU A 40 8.159 9.513 17.327 1.00 0.00 C ATOM 672 CG LEU A 40 8.851 9.566 15.956 1.00 0.00 C ATOM 673 CD1 LEU A 40 10.311 9.966 16.170 1.00 0.00 C ATOM 674 CD2 LEU A 40 8.814 8.227 15.207 1.00 0.00 C ATOM 0 H LEU A 40 6.186 10.731 16.272 1.00 0.00 H new ATOM 0 HA LEU A 40 6.829 7.950 16.861 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.135 10.515 17.756 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.746 8.891 18.002 1.00 0.00 H new ATOM 0 HG LEU A 40 8.312 10.290 15.345 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.821 10.010 15.208 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.354 10.945 16.648 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.800 9.229 16.807 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.319 8.333 14.247 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.318 7.464 15.800 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.778 7.932 15.041 1.00 0.00 H new ATOM 686 N LYS A 41 4.821 8.336 18.613 1.00 0.00 N ATOM 687 CA LYS A 41 4.027 8.090 19.811 1.00 0.00 C ATOM 688 C LYS A 41 4.583 6.844 20.515 1.00 0.00 C ATOM 689 O LYS A 41 3.910 5.824 20.653 1.00 0.00 O ATOM 690 CB LYS A 41 2.536 8.014 19.457 1.00 0.00 C ATOM 691 CG LYS A 41 2.164 7.010 18.354 1.00 0.00 C ATOM 692 CD LYS A 41 0.655 7.067 18.096 1.00 0.00 C ATOM 693 CE LYS A 41 0.283 7.921 16.875 1.00 0.00 C ATOM 694 NZ LYS A 41 0.599 9.347 17.064 1.00 0.00 N ATOM 0 H LYS A 41 4.344 8.058 17.755 1.00 0.00 H new ATOM 0 HA LYS A 41 4.105 8.915 20.519 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.980 7.758 20.359 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.204 9.005 19.148 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.709 7.241 17.439 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.455 6.003 18.652 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.279 6.054 17.951 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.157 7.469 18.978 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.815 7.548 16.000 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.782 7.813 16.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.179 9.901 16.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.211 9.671 17.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.631 9.477 17.062 1.00 0.00 H new ATOM 708 N GLY A 42 5.848 6.934 20.920 1.00 0.00 N ATOM 709 CA GLY A 42 6.645 5.900 21.551 1.00 0.00 C ATOM 710 C GLY A 42 8.069 6.041 21.003 1.00 0.00 C ATOM 711 O GLY A 42 8.245 6.545 19.892 1.00 0.00 O ATOM 0 H GLY A 42 6.376 7.799 20.804 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.635 6.012 22.635 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.242 4.912 21.329 1.00 0.00 H new ATOM 715 N PRO A 43 9.099 5.623 21.755 1.00 0.00 N ATOM 716 CA PRO A 43 10.492 5.759 21.349 1.00 0.00 C ATOM 717 C PRO A 43 10.862 4.741 20.260 1.00 0.00 C ATOM 718 O PRO A 43 11.694 3.863 20.480 1.00 0.00 O ATOM 719 CB PRO A 43 11.286 5.566 22.647 1.00 0.00 C ATOM 720 CG PRO A 43 10.420 4.580 23.432 1.00 0.00 C ATOM 721 CD PRO A 43 9.001 5.027 23.078 1.00 0.00 C ATOM 0 HA PRO A 43 10.708 6.725 20.893 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.282 5.166 22.456 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.417 6.505 23.184 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.607 3.549 23.132 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.608 4.640 24.504 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.312 4.182 23.078 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.623 5.746 23.805 1.00 0.00 H new ATOM 729 N ARG A 44 10.251 4.859 19.078 1.00 0.00 N ATOM 730 CA ARG A 44 10.509 3.979 17.948 1.00 0.00 C ATOM 731 C ARG A 44 11.414 4.671 16.927 1.00 0.00 C ATOM 732 O ARG A 44 11.167 5.808 16.527 1.00 0.00 O ATOM 733 CB ARG A 44 9.217 3.403 17.378 1.00 0.00 C ATOM 734 CG ARG A 44 8.360 4.449 16.682 1.00 0.00 C ATOM 735 CD ARG A 44 7.080 3.771 16.189 1.00 0.00 C ATOM 736 NE ARG A 44 6.223 3.363 17.312 1.00 0.00 N ATOM 737 CZ ARG A 44 5.428 4.184 18.011 1.00 0.00 C ATOM 738 NH1 ARG A 44 5.238 5.447 17.619 1.00 0.00 N ATOM 739 NH2 ARG A 44 4.820 3.735 19.114 1.00 0.00 N ATOM 0 H ARG A 44 9.556 5.579 18.882 1.00 0.00 H new ATOM 0 HA ARG A 44 11.065 3.106 18.288 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.460 2.610 16.671 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.642 2.947 18.184 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.119 5.261 17.369 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.903 4.889 15.846 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.532 4.454 15.540 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.337 2.898 15.589 1.00 0.00 H new ATOM 0 HE ARG A 44 6.235 2.379 17.579 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.701 5.795 16.779 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.630 6.063 18.159 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.963 2.772 19.419 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.214 4.355 19.650 1.00 0.00 H new ATOM 753 N THR A 45 12.469 3.982 16.492 1.00 0.00 N ATOM 754 CA THR A 45 13.447 4.446 15.546 1.00 0.00 C ATOM 755 C THR A 45 14.219 5.697 15.930 1.00 0.00 C ATOM 756 O THR A 45 15.376 5.618 16.340 1.00 0.00 O ATOM 757 CB THR A 45 12.844 4.550 14.141 1.00 0.00 C ATOM 758 OG1 THR A 45 12.162 3.356 13.817 1.00 0.00 O ATOM 759 CG2 THR A 45 14.009 4.718 13.176 1.00 0.00 C ATOM 0 H THR A 45 12.662 3.035 16.817 1.00 0.00 H new ATOM 0 HA THR A 45 14.216 3.673 15.554 1.00 0.00 H new ATOM 0 HB THR A 45 12.143 5.383 14.086 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.778 3.432 12.918 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.629 4.797 12.157 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.563 5.623 13.428 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.671 3.855 13.251 1.00 0.00 H new ATOM 767 N LEU A 46 13.553 6.826 15.722 1.00 0.00 N ATOM 768 CA LEU A 46 14.007 8.209 15.758 1.00 0.00 C ATOM 769 C LEU A 46 15.256 8.395 14.886 1.00 0.00 C ATOM 770 O LEU A 46 15.189 9.134 13.913 1.00 0.00 O ATOM 771 CB LEU A 46 14.145 8.746 17.188 1.00 0.00 C ATOM 772 CG LEU A 46 13.890 10.266 17.263 1.00 0.00 C ATOM 773 CD1 LEU A 46 13.839 10.680 18.738 1.00 0.00 C ATOM 774 CD2 LEU A 46 14.956 11.111 16.555 1.00 0.00 C ATOM 0 H LEU A 46 12.559 6.787 15.496 1.00 0.00 H new ATOM 0 HA LEU A 46 13.233 8.835 15.314 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.441 8.228 17.839 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.145 8.527 17.562 1.00 0.00 H new ATOM 0 HG LEU A 46 12.948 10.453 16.748 1.00 0.00 H new ATOM 0 HD11 LEU A 46 13.659 11.753 18.809 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.033 10.143 19.239 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.788 10.439 19.217 1.00 0.00 H new ATOM 0 HD21 LEU A 46 14.706 12.168 16.652 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.929 10.925 17.010 1.00 0.00 H new ATOM 0 HD23 LEU A 46 14.991 10.842 15.499 1.00 0.00 H new ATOM 786 N ASP A 47 16.374 7.736 15.203 1.00 0.00 N ATOM 787 CA ASP A 47 17.626 7.806 14.458 1.00 0.00 C ATOM 788 C ASP A 47 18.253 6.440 14.160 1.00 0.00 C ATOM 789 O ASP A 47 19.239 6.373 13.433 1.00 0.00 O ATOM 790 CB ASP A 47 18.600 8.654 15.278 1.00 0.00 C ATOM 791 CG ASP A 47 19.891 8.976 14.530 1.00 0.00 C ATOM 792 OD1 ASP A 47 19.804 9.749 13.552 1.00 0.00 O ATOM 793 OD2 ASP A 47 20.944 8.458 14.958 1.00 0.00 O ATOM 0 H ASP A 47 16.430 7.119 16.013 1.00 0.00 H new ATOM 0 HA ASP A 47 17.412 8.246 13.484 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.110 9.585 15.563 1.00 0.00 H new ATOM 0 HB3 ASP A 47 18.844 8.127 16.200 1.00 0.00 H new ATOM 798 N ASP A 48 17.716 5.346 14.699 1.00 0.00 N ATOM 799 CA ASP A 48 18.258 4.010 14.443 1.00 0.00 C ATOM 800 C ASP A 48 18.505 3.764 12.946 1.00 0.00 C ATOM 801 O ASP A 48 19.641 3.537 12.537 1.00 0.00 O ATOM 802 CB ASP A 48 17.344 2.939 15.046 1.00 0.00 C ATOM 803 CG ASP A 48 17.860 1.538 14.728 1.00 0.00 C ATOM 804 OD1 ASP A 48 18.785 1.097 15.443 1.00 0.00 O ATOM 805 OD2 ASP A 48 17.321 0.944 13.770 1.00 0.00 O ATOM 0 H ASP A 48 16.905 5.358 15.317 1.00 0.00 H new ATOM 0 HA ASP A 48 19.230 3.946 14.932 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.285 3.072 16.126 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.333 3.056 14.655 1.00 0.00 H new ATOM 810 N LEU A 49 17.459 3.815 12.114 1.00 0.00 N ATOM 811 CA LEU A 49 17.648 3.595 10.682 1.00 0.00 C ATOM 812 C LEU A 49 18.465 4.734 10.065 1.00 0.00 C ATOM 813 O LEU A 49 19.303 4.489 9.204 1.00 0.00 O ATOM 814 CB LEU A 49 16.338 3.249 9.957 1.00 0.00 C ATOM 815 CG LEU A 49 15.293 4.370 9.850 1.00 0.00 C ATOM 816 CD1 LEU A 49 15.485 5.224 8.593 1.00 0.00 C ATOM 817 CD2 LEU A 49 13.898 3.740 9.758 1.00 0.00 C ATOM 0 H LEU A 49 16.498 4.002 12.400 1.00 0.00 H new ATOM 0 HA LEU A 49 18.250 2.697 10.541 1.00 0.00 H new ATOM 0 HB2 LEU A 49 16.585 2.916 8.949 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.879 2.403 10.469 1.00 0.00 H new ATOM 0 HG LEU A 49 15.406 5.003 10.730 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.723 6.003 8.562 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.473 5.684 8.613 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.396 4.594 7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.148 4.527 9.682 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.845 3.101 8.877 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.709 3.144 10.650 1.00 0.00 H new ATOM 829 N PHE A 50 18.255 5.976 10.512 1.00 0.00 N ATOM 830 CA PHE A 50 19.017 7.134 10.048 1.00 0.00 C ATOM 831 C PHE A 50 20.517 6.853 10.136 1.00 0.00 C ATOM 832 O PHE A 50 21.261 7.176 9.213 1.00 0.00 O ATOM 833 CB PHE A 50 18.637 8.356 10.893 1.00 0.00 C ATOM 834 CG PHE A 50 17.266 8.970 10.679 1.00 0.00 C ATOM 835 CD1 PHE A 50 16.496 8.689 9.534 1.00 0.00 C ATOM 836 CD2 PHE A 50 16.833 9.971 11.567 1.00 0.00 C ATOM 837 CE1 PHE A 50 15.281 9.355 9.325 1.00 0.00 C ATOM 838 CE2 PHE A 50 15.575 10.571 11.402 1.00 0.00 C ATOM 839 CZ PHE A 50 14.791 10.254 10.286 1.00 0.00 C ATOM 0 H PHE A 50 17.547 6.205 11.210 1.00 0.00 H new ATOM 0 HA PHE A 50 18.778 7.336 9.004 1.00 0.00 H new ATOM 0 HB2 PHE A 50 18.717 8.074 11.943 1.00 0.00 H new ATOM 0 HB3 PHE A 50 19.382 9.131 10.714 1.00 0.00 H new ATOM 0 HD1 PHE A 50 16.842 7.960 8.817 1.00 0.00 H new ATOM 0 HD2 PHE A 50 17.472 10.280 12.381 1.00 0.00 H new ATOM 0 HE1 PHE A 50 14.719 9.176 8.420 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.212 11.276 12.135 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.814 10.699 10.165 1.00 0.00 H new ATOM 849 N GLN A 51 20.962 6.236 11.232 1.00 0.00 N ATOM 850 CA GLN A 51 22.358 5.880 11.401 1.00 0.00 C ATOM 851 C GLN A 51 22.789 4.878 10.324 1.00 0.00 C ATOM 852 O GLN A 51 23.911 4.964 9.836 1.00 0.00 O ATOM 853 CB GLN A 51 22.585 5.352 12.829 1.00 0.00 C ATOM 854 CG GLN A 51 24.002 4.819 13.096 1.00 0.00 C ATOM 855 CD GLN A 51 25.076 5.892 12.960 1.00 0.00 C ATOM 856 OE1 GLN A 51 25.478 6.498 13.949 1.00 0.00 O ATOM 857 NE2 GLN A 51 25.550 6.144 11.746 1.00 0.00 N ATOM 0 H GLN A 51 20.365 5.974 12.017 1.00 0.00 H new ATOM 0 HA GLN A 51 22.985 6.762 11.273 1.00 0.00 H new ATOM 0 HB2 GLN A 51 22.373 6.153 13.537 1.00 0.00 H new ATOM 0 HB3 GLN A 51 21.868 4.555 13.026 1.00 0.00 H new ATOM 0 HG2 GLN A 51 24.043 4.397 14.100 1.00 0.00 H new ATOM 0 HG3 GLN A 51 24.216 4.008 12.400 1.00 0.00 H new ATOM 0 HE21 GLN A 51 25.197 5.624 10.943 1.00 0.00 H new ATOM 0 HE22 GLN A 51 26.267 6.857 11.617 1.00 0.00 H new ATOM 866 N GLU A 52 21.920 3.940 9.941 1.00 0.00 N ATOM 867 CA GLU A 52 22.233 2.974 8.892 1.00 0.00 C ATOM 868 C GLU A 52 22.307 3.701 7.544 1.00 0.00 C ATOM 869 O GLU A 52 23.150 3.395 6.707 1.00 0.00 O ATOM 870 CB GLU A 52 21.192 1.849 8.858 1.00 0.00 C ATOM 871 CG GLU A 52 21.101 1.110 10.200 1.00 0.00 C ATOM 872 CD GLU A 52 20.102 -0.040 10.134 1.00 0.00 C ATOM 873 OE1 GLU A 52 18.906 0.259 9.923 1.00 0.00 O ATOM 874 OE2 GLU A 52 20.551 -1.196 10.284 1.00 0.00 O ATOM 0 H GLU A 52 20.990 3.831 10.346 1.00 0.00 H new ATOM 0 HA GLU A 52 23.199 2.514 9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 52 20.216 2.265 8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.449 1.141 8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.084 0.725 10.473 1.00 0.00 H new ATOM 0 HG3 GLU A 52 20.804 1.808 10.982 1.00 0.00 H new ATOM 881 N LEU A 53 21.427 4.682 7.335 1.00 0.00 N ATOM 882 CA LEU A 53 21.351 5.498 6.127 1.00 0.00 C ATOM 883 C LEU A 53 22.459 6.572 6.053 1.00 0.00 C ATOM 884 O LEU A 53 22.280 7.593 5.393 1.00 0.00 O ATOM 885 CB LEU A 53 19.968 6.156 6.089 1.00 0.00 C ATOM 886 CG LEU A 53 18.770 5.201 5.979 1.00 0.00 C ATOM 887 CD1 LEU A 53 17.506 6.060 5.899 1.00 0.00 C ATOM 888 CD2 LEU A 53 18.829 4.265 4.766 1.00 0.00 C ATOM 0 H LEU A 53 20.724 4.937 8.028 1.00 0.00 H new ATOM 0 HA LEU A 53 21.504 4.851 5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 53 19.848 6.755 6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.938 6.844 5.244 1.00 0.00 H new ATOM 0 HG LEU A 53 18.779 4.552 6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.632 5.414 5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.425 6.672 6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 53 17.560 6.706 5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 53 17.948 3.623 4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.854 4.857 3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.727 3.650 4.825 1.00 0.00 H new ATOM 900 N ASP A 54 23.604 6.374 6.711 1.00 0.00 N ATOM 901 CA ASP A 54 24.704 7.332 6.760 1.00 0.00 C ATOM 902 C ASP A 54 25.592 7.298 5.514 1.00 0.00 C ATOM 903 O ASP A 54 26.660 6.695 5.539 1.00 0.00 O ATOM 904 CB ASP A 54 25.497 7.122 8.058 1.00 0.00 C ATOM 905 CG ASP A 54 26.201 5.769 8.199 1.00 0.00 C ATOM 906 OD1 ASP A 54 25.758 4.796 7.552 1.00 0.00 O ATOM 907 OD2 ASP A 54 27.173 5.735 8.983 1.00 0.00 O ATOM 0 H ASP A 54 23.793 5.521 7.237 1.00 0.00 H new ATOM 0 HA ASP A 54 24.281 8.337 6.763 1.00 0.00 H new ATOM 0 HB2 ASP A 54 26.246 7.910 8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 54 24.817 7.246 8.901 1.00 0.00 H new ATOM 912 N LYS A 55 25.161 7.979 4.444 1.00 0.00 N ATOM 913 CA LYS A 55 25.866 8.136 3.168 1.00 0.00 C ATOM 914 C LYS A 55 27.392 7.976 3.269 1.00 0.00 C ATOM 915 O LYS A 55 27.962 7.060 2.682 1.00 0.00 O ATOM 916 CB LYS A 55 25.518 9.513 2.563 1.00 0.00 C ATOM 917 CG LYS A 55 25.580 9.558 1.030 1.00 0.00 C ATOM 918 CD LYS A 55 26.997 9.379 0.467 1.00 0.00 C ATOM 919 CE LYS A 55 27.066 9.776 -1.013 1.00 0.00 C ATOM 920 NZ LYS A 55 26.890 11.228 -1.205 1.00 0.00 N ATOM 0 H LYS A 55 24.262 8.461 4.447 1.00 0.00 H new ATOM 0 HA LYS A 55 25.526 7.327 2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 55 24.515 9.796 2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 55 26.204 10.259 2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 55 24.936 8.777 0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 55 25.179 10.512 0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 55 27.697 9.986 1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 55 27.307 8.340 0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 55 28.027 9.470 -1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 55 26.295 9.241 -1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 27.238 11.498 -2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 25.881 11.469 -1.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 27.426 11.742 -0.477 1.00 0.00 H new ATOM 934 N ASN A 56 28.060 8.879 3.999 1.00 0.00 N ATOM 935 CA ASN A 56 29.518 8.903 4.127 1.00 0.00 C ATOM 936 C ASN A 56 30.026 8.177 5.382 1.00 0.00 C ATOM 937 O ASN A 56 31.029 8.582 5.966 1.00 0.00 O ATOM 938 CB ASN A 56 29.993 10.365 4.067 1.00 0.00 C ATOM 939 CG ASN A 56 31.400 10.515 3.487 1.00 0.00 C ATOM 940 OD1 ASN A 56 31.567 11.051 2.397 1.00 0.00 O ATOM 941 ND2 ASN A 56 32.425 10.051 4.191 1.00 0.00 N ATOM 0 H ASN A 56 27.595 9.621 4.522 1.00 0.00 H new ATOM 0 HA ASN A 56 29.948 8.347 3.294 1.00 0.00 H new ATOM 0 HB2 ASN A 56 29.294 10.943 3.463 1.00 0.00 H new ATOM 0 HB3 ASN A 56 29.973 10.789 5.071 1.00 0.00 H new ATOM 0 HD21 ASN A 56 33.374 10.137 3.827 1.00 0.00 H new ATOM 0 HD22 ASN A 56 32.264 9.608 5.096 1.00 0.00 H new ATOM 948 N GLY A 57 29.353 7.108 5.814 1.00 0.00 N ATOM 949 CA GLY A 57 29.764 6.319 6.971 1.00 0.00 C ATOM 950 C GLY A 57 29.940 7.162 8.237 1.00 0.00 C ATOM 951 O GLY A 57 30.911 6.984 8.969 1.00 0.00 O ATOM 0 H GLY A 57 28.503 6.766 5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 57 29.021 5.544 7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 57 30.703 5.813 6.744 1.00 0.00 H new ATOM 955 N ASP A 58 28.999 8.076 8.490 1.00 0.00 N ATOM 956 CA ASP A 58 29.005 8.961 9.651 1.00 0.00 C ATOM 957 C ASP A 58 27.591 9.050 10.239 1.00 0.00 C ATOM 958 O ASP A 58 27.241 8.298 11.144 1.00 0.00 O ATOM 959 CB ASP A 58 29.587 10.324 9.244 1.00 0.00 C ATOM 960 CG ASP A 58 29.437 11.364 10.351 1.00 0.00 C ATOM 961 OD1 ASP A 58 30.144 11.219 11.370 1.00 0.00 O ATOM 962 OD2 ASP A 58 28.599 12.271 10.158 1.00 0.00 O ATOM 0 H ASP A 58 28.196 8.222 7.878 1.00 0.00 H new ATOM 0 HA ASP A 58 29.644 8.566 10.441 1.00 0.00 H new ATOM 0 HB2 ASP A 58 30.642 10.208 8.996 1.00 0.00 H new ATOM 0 HB3 ASP A 58 29.085 10.678 8.344 1.00 0.00 H new ATOM 967 N GLY A 59 26.772 9.968 9.725 1.00 0.00 N ATOM 968 CA GLY A 59 25.398 10.170 10.167 1.00 0.00 C ATOM 969 C GLY A 59 24.724 11.186 9.256 1.00 0.00 C ATOM 970 O GLY A 59 24.079 12.113 9.741 1.00 0.00 O ATOM 0 H GLY A 59 27.053 10.602 8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 59 24.854 9.226 10.145 1.00 0.00 H new ATOM 0 HA3 GLY A 59 25.383 10.522 11.198 1.00 0.00 H new ATOM 974 N GLU A 60 24.917 10.986 7.948 1.00 0.00 N ATOM 975 CA GLU A 60 24.485 11.822 6.837 1.00 0.00 C ATOM 976 C GLU A 60 23.433 11.108 5.995 1.00 0.00 C ATOM 977 O GLU A 60 23.787 10.151 5.313 1.00 0.00 O ATOM 978 CB GLU A 60 25.710 11.998 5.937 1.00 0.00 C ATOM 979 CG GLU A 60 26.791 12.880 6.576 1.00 0.00 C ATOM 980 CD GLU A 60 27.999 13.048 5.662 1.00 0.00 C ATOM 981 OE1 GLU A 60 27.775 13.259 4.448 1.00 0.00 O ATOM 982 OE2 GLU A 60 29.127 12.952 6.191 1.00 0.00 O ATOM 0 H GLU A 60 25.423 10.164 7.618 1.00 0.00 H new ATOM 0 HA GLU A 60 24.074 12.757 7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 60 26.133 11.019 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 60 25.400 12.439 4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 60 26.371 13.859 6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 60 27.109 12.438 7.521 1.00 0.00 H new ATOM 989 N VAL A 61 22.174 11.545 5.997 1.00 0.00 N ATOM 990 CA VAL A 61 21.152 10.880 5.206 1.00 0.00 C ATOM 991 C VAL A 61 20.860 11.726 3.969 1.00 0.00 C ATOM 992 O VAL A 61 20.261 12.800 4.053 1.00 0.00 O ATOM 993 CB VAL A 61 19.938 10.579 6.098 1.00 0.00 C ATOM 994 CG1 VAL A 61 18.881 9.772 5.349 1.00 0.00 C ATOM 995 CG2 VAL A 61 20.361 9.769 7.335 1.00 0.00 C ATOM 0 H VAL A 61 21.845 12.348 6.533 1.00 0.00 H new ATOM 0 HA VAL A 61 21.483 9.911 4.832 1.00 0.00 H new ATOM 0 HB VAL A 61 19.521 11.541 6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.036 9.577 6.010 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.540 10.336 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 61 19.311 8.826 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.487 9.566 7.954 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.807 8.827 7.018 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.089 10.339 7.912 1.00 0.00 H new ATOM 1005 N SER A 62 21.306 11.238 2.808 1.00 0.00 N ATOM 1006 CA SER A 62 21.099 11.908 1.534 1.00 0.00 C ATOM 1007 C SER A 62 19.654 11.699 1.087 1.00 0.00 C ATOM 1008 O SER A 62 19.018 10.759 1.555 1.00 0.00 O ATOM 1009 CB SER A 62 22.106 11.373 0.519 1.00 0.00 C ATOM 1010 OG SER A 62 21.850 10.020 0.206 1.00 0.00 O ATOM 0 H SER A 62 21.823 10.362 2.732 1.00 0.00 H new ATOM 0 HA SER A 62 21.262 12.982 1.626 1.00 0.00 H new ATOM 0 HB2 SER A 62 22.063 11.973 -0.390 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.115 11.471 0.919 1.00 0.00 H new ATOM 0 HG SER A 62 22.072 9.458 0.978 1.00 0.00 H new ATOM 1016 N PHE A 63 19.114 12.538 0.196 1.00 0.00 N ATOM 1017 CA PHE A 63 17.736 12.385 -0.281 1.00 0.00 C ATOM 1018 C PHE A 63 17.465 10.937 -0.724 1.00 0.00 C ATOM 1019 O PHE A 63 16.457 10.329 -0.352 1.00 0.00 O ATOM 1020 CB PHE A 63 17.436 13.395 -1.398 1.00 0.00 C ATOM 1021 CG PHE A 63 15.951 13.557 -1.672 1.00 0.00 C ATOM 1022 CD1 PHE A 63 15.292 12.683 -2.557 1.00 0.00 C ATOM 1023 CD2 PHE A 63 15.207 14.506 -0.947 1.00 0.00 C ATOM 1024 CE1 PHE A 63 13.894 12.750 -2.702 1.00 0.00 C ATOM 1025 CE2 PHE A 63 13.809 14.563 -1.080 1.00 0.00 C ATOM 1026 CZ PHE A 63 13.151 13.684 -1.959 1.00 0.00 C ATOM 0 H PHE A 63 19.611 13.331 -0.209 1.00 0.00 H new ATOM 0 HA PHE A 63 17.057 12.599 0.544 1.00 0.00 H new ATOM 0 HB2 PHE A 63 17.857 14.363 -1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 63 17.935 13.075 -2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 63 15.860 11.961 -3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 63 15.712 15.194 -0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.391 12.082 -3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.240 15.281 -0.508 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.077 13.726 -2.063 1.00 0.00 H new ATOM 1036 N GLU A 64 18.403 10.388 -1.503 1.00 0.00 N ATOM 1037 CA GLU A 64 18.386 9.030 -2.031 1.00 0.00 C ATOM 1038 C GLU A 64 18.206 7.971 -0.938 1.00 0.00 C ATOM 1039 O GLU A 64 17.707 6.882 -1.219 1.00 0.00 O ATOM 1040 CB GLU A 64 19.684 8.741 -2.803 1.00 0.00 C ATOM 1041 CG GLU A 64 19.989 9.750 -3.921 1.00 0.00 C ATOM 1042 CD GLU A 64 20.926 10.864 -3.460 1.00 0.00 C ATOM 1043 OE1 GLU A 64 20.431 11.772 -2.757 1.00 0.00 O ATOM 1044 OE2 GLU A 64 22.123 10.795 -3.809 1.00 0.00 O ATOM 0 H GLU A 64 19.232 10.907 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 64 17.527 8.968 -2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.517 8.731 -2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.621 7.743 -3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 64 20.438 9.228 -4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 64 19.056 10.187 -4.276 1.00 0.00 H new ATOM 1051 N GLU A 65 18.613 8.275 0.297 1.00 0.00 N ATOM 1052 CA GLU A 65 18.502 7.384 1.441 1.00 0.00 C ATOM 1053 C GLU A 65 17.241 7.744 2.236 1.00 0.00 C ATOM 1054 O GLU A 65 16.440 6.877 2.575 1.00 0.00 O ATOM 1055 CB GLU A 65 19.779 7.508 2.280 1.00 0.00 C ATOM 1056 CG GLU A 65 21.008 7.000 1.521 1.00 0.00 C ATOM 1057 CD GLU A 65 22.273 7.365 2.285 1.00 0.00 C ATOM 1058 OE1 GLU A 65 22.467 8.588 2.459 1.00 0.00 O ATOM 1059 OE2 GLU A 65 23.008 6.430 2.667 1.00 0.00 O ATOM 0 H GLU A 65 19.039 9.172 0.529 1.00 0.00 H new ATOM 0 HA GLU A 65 18.404 6.344 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 65 19.930 8.550 2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 65 19.663 6.943 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 65 20.948 5.919 1.395 1.00 0.00 H new ATOM 0 HG3 GLU A 65 21.036 7.437 0.523 1.00 0.00 H new ATOM 1066 N PHE A 66 17.068 9.039 2.519 1.00 0.00 N ATOM 1067 CA PHE A 66 15.956 9.631 3.253 1.00 0.00 C ATOM 1068 C PHE A 66 14.613 9.060 2.815 1.00 0.00 C ATOM 1069 O PHE A 66 13.745 8.822 3.654 1.00 0.00 O ATOM 1070 CB PHE A 66 15.970 11.149 3.061 1.00 0.00 C ATOM 1071 CG PHE A 66 14.906 11.876 3.858 1.00 0.00 C ATOM 1072 CD1 PHE A 66 15.035 11.990 5.254 1.00 0.00 C ATOM 1073 CD2 PHE A 66 13.770 12.401 3.214 1.00 0.00 C ATOM 1074 CE1 PHE A 66 14.036 12.635 6.002 1.00 0.00 C ATOM 1075 CE2 PHE A 66 12.771 13.043 3.964 1.00 0.00 C ATOM 1076 CZ PHE A 66 12.898 13.152 5.359 1.00 0.00 C ATOM 0 H PHE A 66 17.745 9.741 2.221 1.00 0.00 H new ATOM 0 HA PHE A 66 16.082 9.388 4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.950 11.533 3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 66 15.835 11.373 2.003 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.902 11.581 5.751 1.00 0.00 H new ATOM 0 HD2 PHE A 66 13.666 12.310 2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 66 14.142 12.734 7.072 1.00 0.00 H new ATOM 0 HE2 PHE A 66 11.904 13.453 3.468 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.122 13.632 5.937 1.00 0.00 H new ATOM 1086 N GLN A 67 14.442 8.834 1.508 1.00 0.00 N ATOM 1087 CA GLN A 67 13.226 8.244 0.960 1.00 0.00 C ATOM 1088 C GLN A 67 12.746 7.014 1.753 1.00 0.00 C ATOM 1089 O GLN A 67 11.544 6.777 1.814 1.00 0.00 O ATOM 1090 CB GLN A 67 13.345 8.012 -0.555 1.00 0.00 C ATOM 1091 CG GLN A 67 14.577 7.214 -1.007 1.00 0.00 C ATOM 1092 CD GLN A 67 14.507 5.717 -0.719 1.00 0.00 C ATOM 1093 OE1 GLN A 67 13.441 5.158 -0.491 1.00 0.00 O ATOM 1094 NE2 GLN A 67 15.656 5.051 -0.733 1.00 0.00 N ATOM 0 H GLN A 67 15.146 9.057 0.804 1.00 0.00 H new ATOM 0 HA GLN A 67 12.425 8.972 1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.451 7.491 -0.896 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.359 8.981 -1.053 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.713 7.358 -2.079 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.459 7.624 -0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.528 5.543 -0.926 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.666 4.047 -0.551 1.00 0.00 H new ATOM 1103 N VAL A 68 13.645 6.251 2.389 1.00 0.00 N ATOM 1104 CA VAL A 68 13.263 5.108 3.218 1.00 0.00 C ATOM 1105 C VAL A 68 12.294 5.567 4.322 1.00 0.00 C ATOM 1106 O VAL A 68 11.298 4.899 4.607 1.00 0.00 O ATOM 1107 CB VAL A 68 14.531 4.431 3.782 1.00 0.00 C ATOM 1108 CG1 VAL A 68 14.187 3.352 4.818 1.00 0.00 C ATOM 1109 CG2 VAL A 68 15.332 3.775 2.650 1.00 0.00 C ATOM 0 H VAL A 68 14.651 6.410 2.342 1.00 0.00 H new ATOM 0 HA VAL A 68 12.738 4.364 2.619 1.00 0.00 H new ATOM 0 HB VAL A 68 15.120 5.211 4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.106 2.899 5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.643 3.804 5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.568 2.585 4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.223 3.302 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.716 3.023 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.626 4.534 1.925 1.00 0.00 H new ATOM 1119 N LEU A 69 12.565 6.724 4.938 1.00 0.00 N ATOM 1120 CA LEU A 69 11.715 7.288 5.978 1.00 0.00 C ATOM 1121 C LEU A 69 10.394 7.699 5.333 1.00 0.00 C ATOM 1122 O LEU A 69 9.323 7.375 5.842 1.00 0.00 O ATOM 1123 CB LEU A 69 12.404 8.496 6.633 1.00 0.00 C ATOM 1124 CG LEU A 69 11.626 9.082 7.831 1.00 0.00 C ATOM 1125 CD1 LEU A 69 11.799 8.246 9.105 1.00 0.00 C ATOM 1126 CD2 LEU A 69 12.012 10.549 8.034 1.00 0.00 C ATOM 0 H LEU A 69 13.384 7.293 4.724 1.00 0.00 H new ATOM 0 HA LEU A 69 11.532 6.552 6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.398 8.199 6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.540 9.276 5.883 1.00 0.00 H new ATOM 0 HG LEU A 69 10.561 9.040 7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.232 8.700 9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.433 7.234 8.929 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.854 8.209 9.375 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.460 10.957 8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.082 10.620 8.231 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.770 11.117 7.136 1.00 0.00 H new ATOM 1138 N VAL A 70 10.476 8.408 4.203 1.00 0.00 N ATOM 1139 CA VAL A 70 9.302 8.867 3.472 1.00 0.00 C ATOM 1140 C VAL A 70 8.395 7.676 3.139 1.00 0.00 C ATOM 1141 O VAL A 70 7.178 7.789 3.238 1.00 0.00 O ATOM 1142 CB VAL A 70 9.702 9.653 2.209 1.00 0.00 C ATOM 1143 CG1 VAL A 70 8.466 10.215 1.493 1.00 0.00 C ATOM 1144 CG2 VAL A 70 10.632 10.822 2.558 1.00 0.00 C ATOM 0 H VAL A 70 11.361 8.677 3.773 1.00 0.00 H new ATOM 0 HA VAL A 70 8.741 9.555 4.105 1.00 0.00 H new ATOM 0 HB VAL A 70 10.220 8.954 1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.778 10.765 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.811 9.395 1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.930 10.885 2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.898 11.359 1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.123 11.500 3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.536 10.439 3.031 1.00 0.00 H new ATOM 1154 N LYS A 71 8.966 6.533 2.753 1.00 0.00 N ATOM 1155 CA LYS A 71 8.209 5.335 2.426 1.00 0.00 C ATOM 1156 C LYS A 71 7.295 4.960 3.599 1.00 0.00 C ATOM 1157 O LYS A 71 6.073 4.964 3.453 1.00 0.00 O ATOM 1158 CB LYS A 71 9.179 4.210 2.020 1.00 0.00 C ATOM 1159 CG LYS A 71 8.544 3.090 1.177 1.00 0.00 C ATOM 1160 CD LYS A 71 7.513 2.205 1.892 1.00 0.00 C ATOM 1161 CE LYS A 71 8.106 1.456 3.092 1.00 0.00 C ATOM 1162 NZ LYS A 71 7.109 0.564 3.711 1.00 0.00 N ATOM 0 H LYS A 71 9.975 6.418 2.660 1.00 0.00 H new ATOM 0 HA LYS A 71 7.556 5.513 1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.005 4.646 1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.604 3.771 2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.063 3.544 0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.342 2.450 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.682 2.824 2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.106 1.483 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.969 0.873 2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.464 2.173 3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.539 0.071 4.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.297 1.125 4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.786 -0.135 3.011 1.00 0.00 H new ATOM 1176 N LYS A 72 7.869 4.639 4.764 1.00 0.00 N ATOM 1177 CA LYS A 72 7.066 4.248 5.917 1.00 0.00 C ATOM 1178 C LYS A 72 6.149 5.375 6.408 1.00 0.00 C ATOM 1179 O LYS A 72 4.962 5.136 6.635 1.00 0.00 O ATOM 1180 CB LYS A 72 7.950 3.639 7.010 1.00 0.00 C ATOM 1181 CG LYS A 72 9.025 4.592 7.546 1.00 0.00 C ATOM 1182 CD LYS A 72 10.193 3.814 8.150 1.00 0.00 C ATOM 1183 CE LYS A 72 9.751 2.931 9.323 1.00 0.00 C ATOM 1184 NZ LYS A 72 10.901 2.288 9.983 1.00 0.00 N ATOM 0 H LYS A 72 8.876 4.643 4.928 1.00 0.00 H new ATOM 0 HA LYS A 72 6.379 3.463 5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.318 3.319 7.838 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.435 2.746 6.615 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.386 5.229 6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.591 5.248 8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.651 3.192 7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.957 4.513 8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.206 3.535 10.048 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.063 2.166 8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.563 1.527 10.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.537 1.890 9.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.416 2.993 10.547 1.00 0.00 H new ATOM 1198 N ILE A 73 6.661 6.604 6.567 1.00 0.00 N ATOM 1199 CA ILE A 73 5.816 7.710 7.022 1.00 0.00 C ATOM 1200 C ILE A 73 4.648 7.914 6.050 1.00 0.00 C ATOM 1201 O ILE A 73 3.554 8.275 6.478 1.00 0.00 O ATOM 1202 CB ILE A 73 6.611 8.998 7.316 1.00 0.00 C ATOM 1203 CG1 ILE A 73 7.264 9.606 6.086 1.00 0.00 C ATOM 1204 CG2 ILE A 73 7.620 8.768 8.448 1.00 0.00 C ATOM 1205 CD1 ILE A 73 6.460 10.771 5.496 1.00 0.00 C ATOM 0 H ILE A 73 7.635 6.851 6.391 1.00 0.00 H new ATOM 0 HA ILE A 73 5.392 7.437 7.988 1.00 0.00 H new ATOM 0 HB ILE A 73 5.885 9.740 7.648 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.263 9.956 6.347 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.385 8.834 5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.170 9.690 8.638 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.090 8.468 9.352 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.318 7.982 8.159 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.977 11.163 4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.470 10.420 5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.361 11.559 6.242 1.00 0.00 H new ATOM 1217 N SER A 74 4.846 7.647 4.750 1.00 0.00 N ATOM 1218 CA SER A 74 3.782 7.745 3.761 1.00 0.00 C ATOM 1219 C SER A 74 2.807 6.564 3.810 1.00 0.00 C ATOM 1220 O SER A 74 2.134 6.297 2.817 1.00 0.00 O ATOM 1221 CB SER A 74 4.348 7.939 2.349 1.00 0.00 C ATOM 1222 OG SER A 74 5.075 9.154 2.288 1.00 0.00 O ATOM 0 H SER A 74 5.746 7.359 4.365 1.00 0.00 H new ATOM 0 HA SER A 74 3.204 8.632 4.022 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.997 7.103 2.089 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.537 7.952 1.621 1.00 0.00 H new ATOM 0 HG SER A 74 5.991 9.003 2.601 1.00 0.00 H new ATOM 1228 N GLN A 75 2.703 5.859 4.942 1.00 0.00 N ATOM 1229 CA GLN A 75 1.751 4.774 5.132 1.00 0.00 C ATOM 1230 C GLN A 75 2.003 3.630 4.139 1.00 0.00 C ATOM 1231 O GLN A 75 1.065 2.880 3.870 1.00 0.00 O ATOM 1232 CB GLN A 75 0.310 5.326 5.048 1.00 0.00 C ATOM 1233 CG GLN A 75 0.083 6.571 5.927 1.00 0.00 C ATOM 1234 CD GLN A 75 -1.179 7.330 5.523 1.00 0.00 C ATOM 1235 OE1 GLN A 75 -1.111 8.490 5.104 1.00 0.00 O ATOM 1236 NE2 GLN A 75 -2.339 6.694 5.636 1.00 0.00 N ATOM 1237 OXT GLN A 75 3.147 3.449 3.723 1.00 0.00 O ATOM 0 H GLN A 75 3.288 6.033 5.759 1.00 0.00 H new ATOM 0 HA GLN A 75 1.888 4.347 6.125 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.084 5.575 4.011 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.389 4.545 5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.006 6.269 6.972 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.946 7.233 5.849 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.363 5.736 5.985 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.206 7.163 5.373 1.00 0.00 H new TER 1246 GLN A 75