USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 744 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 82 SER OG : rot 121:sc= 0.676 USER MOD Set 1.2: A 87 HIS :FLIP no HD1:sc= -6.67! C(o=-6.7!,f=-6!) USER MOD Set 2.1: A 10 HIS :FLIP no HE2:sc= -2.56! C(o=-7.5!,f=-4.2!) USER MOD Set 2.2: A 45 SER OG : rot -116:sc= -1.69 USER MOD Set 3.1: A 7 LYS NZ :NH3+ 178:sc= 0.243 (180deg=0) USER MOD Set 3.2: A 51 ASN : amide:sc= -0.225 K(o=0.018,f=-4.2!) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0679 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN :FLIP amide:sc=-0.00249 F(o=-1.1,f=-0.0025) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot -122:sc= -2.39! USER MOD Single : A 9 SER OG : rot 88:sc= 0.671 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -133:sc= -2.39! (180deg=-7.15!) USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= -0.0254 (180deg=-0.258) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc=-0.00229 (180deg=-0.0903) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc=-0.00782 (180deg=-0.186) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.14) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 172:sc= -0.801 (180deg=-0.85) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0421) USER MOD Single : A 70 LYS NZ :NH3+ 171:sc=-0.00153 (180deg=-0.111) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 77 SER OG : rot 120:sc= -0.421 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -144:sc= -0.662 (180deg=-1.49) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 45.03 C ATOM 3 C GLY A 1 2.250 1.395 -1.815 1.00 1.35 C ATOM 4 O GLY A 1 1.911 2.395 -1.181 1.00 34.33 O ATOM 0 H1 GLY A 1 1.908 -0.436 0.747 1.00 13.00 H new ATOM 0 H2 GLY A 1 1.099 0.978 0.268 1.00 13.00 H new ATOM 0 H3 GLY A 1 0.451 -0.543 -0.119 1.00 13.00 H new ATOM 0 HA2 GLY A 1 3.050 -0.450 -1.085 1.00 45.03 H new ATOM 0 HA3 GLY A 1 1.551 -0.621 -1.976 1.00 45.03 H new ATOM 8 N PRO A 2 2.797 1.476 -3.037 1.00 32.43 N ATOM 9 CA PRO A 2 3.034 2.753 -3.716 1.00 14.14 C ATOM 10 C PRO A 2 1.737 3.431 -4.144 1.00 74.11 C ATOM 11 O PRO A 2 1.081 2.995 -5.090 1.00 53.54 O ATOM 12 CB PRO A 2 3.859 2.355 -4.942 1.00 5.54 C ATOM 13 CG PRO A 2 3.496 0.934 -5.198 1.00 72.25 C ATOM 14 CD PRO A 2 3.225 0.325 -3.850 1.00 44.42 C ATOM 0 HA PRO A 2 3.531 3.474 -3.067 1.00 14.14 H new ATOM 0 HB2 PRO A 2 3.622 2.985 -5.800 1.00 5.54 H new ATOM 0 HB3 PRO A 2 4.927 2.463 -4.752 1.00 5.54 H new ATOM 0 HG2 PRO A 2 2.618 0.865 -5.841 1.00 72.25 H new ATOM 0 HG3 PRO A 2 4.305 0.410 -5.707 1.00 72.25 H new ATOM 0 HD2 PRO A 2 2.450 -0.440 -3.903 1.00 44.42 H new ATOM 0 HD3 PRO A 2 4.115 -0.150 -3.437 1.00 44.42 H new ATOM 22 N SER A 3 1.373 4.499 -3.442 1.00 14.20 N ATOM 23 CA SER A 3 0.152 5.235 -3.748 1.00 54.41 C ATOM 24 C SER A 3 0.461 6.484 -4.569 1.00 23.41 C ATOM 25 O SER A 3 0.844 7.518 -4.025 1.00 2.32 O ATOM 26 CB SER A 3 -0.571 5.626 -2.457 1.00 45.32 C ATOM 27 OG SER A 3 -1.122 4.489 -1.817 1.00 33.10 O ATOM 0 H SER A 3 1.906 4.874 -2.657 1.00 14.20 H new ATOM 0 HA SER A 3 -0.496 4.585 -4.337 1.00 54.41 H new ATOM 0 HB2 SER A 3 0.126 6.125 -1.783 1.00 45.32 H new ATOM 0 HB3 SER A 3 -1.363 6.340 -2.682 1.00 45.32 H new ATOM 0 HG SER A 3 -1.577 4.765 -0.994 1.00 33.10 H new ATOM 33 N ASN A 4 0.292 6.377 -5.883 1.00 2.01 N ATOM 34 CA ASN A 4 0.554 7.496 -6.781 1.00 0.35 C ATOM 35 C ASN A 4 -0.684 8.375 -6.929 1.00 0.50 C ATOM 36 O ASN A 4 -0.595 9.603 -6.900 1.00 2.15 O ATOM 37 CB ASN A 4 0.997 6.984 -8.152 1.00 51.05 C ATOM 38 CG ASN A 4 2.453 6.561 -8.169 1.00 61.21 C ATOM 39 OD1 ASN A 4 2.840 5.735 -7.204 1.00 34.24 O flip ATOM 40 ND2 ASN A 4 3.221 6.972 -9.040 1.00 21.20 N flip ATOM 0 H ASN A 4 -0.025 5.527 -6.349 1.00 2.01 H new ATOM 0 HA ASN A 4 1.355 8.096 -6.349 1.00 0.35 H new ATOM 0 HB2 ASN A 4 0.373 6.138 -8.440 1.00 51.05 H new ATOM 0 HB3 ASN A 4 0.840 7.765 -8.896 1.00 51.05 H new ATOM 0 HD21 ASN A 4 2.880 7.606 -9.763 1.00 21.20 H new ATOM 0 HD22 ASN A 4 4.198 6.678 -9.038 1.00 21.20 H new ATOM 47 N LYS A 5 -1.839 7.739 -7.088 1.00 74.12 N ATOM 48 CA LYS A 5 -3.097 8.461 -7.239 1.00 40.14 C ATOM 49 C LYS A 5 -4.114 8.006 -6.198 1.00 13.11 C ATOM 50 O LYS A 5 -3.974 6.935 -5.606 1.00 40.32 O ATOM 51 CB LYS A 5 -3.663 8.252 -8.646 1.00 1.12 C ATOM 52 CG LYS A 5 -3.222 6.950 -9.292 1.00 11.04 C ATOM 53 CD LYS A 5 -3.819 6.786 -10.679 1.00 64.24 C ATOM 54 CE LYS A 5 -2.761 6.386 -11.697 1.00 32.21 C ATOM 55 NZ LYS A 5 -1.907 7.540 -12.093 1.00 15.05 N ATOM 0 H LYS A 5 -1.930 6.723 -7.116 1.00 74.12 H new ATOM 0 HA LYS A 5 -2.898 9.522 -7.087 1.00 40.14 H new ATOM 0 HB2 LYS A 5 -4.752 8.273 -8.597 1.00 1.12 H new ATOM 0 HB3 LYS A 5 -3.356 9.084 -9.279 1.00 1.12 H new ATOM 0 HG2 LYS A 5 -2.134 6.926 -9.358 1.00 11.04 H new ATOM 0 HG3 LYS A 5 -3.522 6.111 -8.664 1.00 11.04 H new ATOM 0 HD2 LYS A 5 -4.604 6.030 -10.652 1.00 64.24 H new ATOM 0 HD3 LYS A 5 -4.288 7.721 -10.988 1.00 64.24 H new ATOM 0 HE2 LYS A 5 -2.135 5.598 -11.279 1.00 32.21 H new ATOM 0 HE3 LYS A 5 -3.246 5.973 -12.581 1.00 32.21 H new ATOM 0 HZ1 LYS A 5 -1.199 7.226 -12.787 1.00 15.05 H new ATOM 0 HZ2 LYS A 5 -2.501 8.282 -12.515 1.00 15.05 H new ATOM 0 HZ3 LYS A 5 -1.424 7.919 -11.253 1.00 15.05 H new ATOM 69 N ILE A 6 -5.138 8.825 -5.980 1.00 42.01 N ATOM 70 CA ILE A 6 -6.179 8.504 -5.012 1.00 53.41 C ATOM 71 C ILE A 6 -7.513 9.125 -5.414 1.00 1.45 C ATOM 72 O ILE A 6 -7.554 10.136 -6.115 1.00 41.24 O ATOM 73 CB ILE A 6 -5.804 8.991 -3.600 1.00 20.53 C ATOM 74 CG1 ILE A 6 -5.578 10.504 -3.601 1.00 32.23 C ATOM 75 CG2 ILE A 6 -4.563 8.265 -3.102 1.00 60.41 C ATOM 76 CD1 ILE A 6 -5.875 11.160 -2.270 1.00 64.23 C ATOM 0 H ILE A 6 -5.269 9.715 -6.461 1.00 42.01 H new ATOM 0 HA ILE A 6 -6.275 7.418 -4.999 1.00 53.41 H new ATOM 0 HB ILE A 6 -6.629 8.767 -2.924 1.00 20.53 H new ATOM 0 HG12 ILE A 6 -4.543 10.708 -3.875 1.00 32.23 H new ATOM 0 HG13 ILE A 6 -6.206 10.957 -4.368 1.00 32.23 H new ATOM 0 HG21 ILE A 6 -4.310 8.620 -2.103 1.00 60.41 H new ATOM 0 HG22 ILE A 6 -4.758 7.193 -3.068 1.00 60.41 H new ATOM 0 HG23 ILE A 6 -3.731 8.461 -3.778 1.00 60.41 H new ATOM 0 HD11 ILE A 6 -5.693 12.232 -2.344 1.00 64.23 H new ATOM 0 HD12 ILE A 6 -6.918 10.986 -2.003 1.00 64.23 H new ATOM 0 HD13 ILE A 6 -5.229 10.735 -1.502 1.00 64.23 H new ATOM 88 N LYS A 7 -8.603 8.515 -4.962 1.00 73.12 N ATOM 89 CA LYS A 7 -9.940 9.008 -5.271 1.00 12.23 C ATOM 90 C LYS A 7 -10.283 10.223 -4.414 1.00 20.10 C ATOM 91 O LYS A 7 -10.038 10.232 -3.207 1.00 32.10 O ATOM 92 CB LYS A 7 -10.977 7.905 -5.048 1.00 52.03 C ATOM 93 CG LYS A 7 -11.734 7.518 -6.308 1.00 4.55 C ATOM 94 CD LYS A 7 -13.176 7.151 -6.001 1.00 23.40 C ATOM 95 CE LYS A 7 -14.121 8.305 -6.298 1.00 45.01 C ATOM 96 NZ LYS A 7 -15.525 7.984 -5.920 1.00 64.21 N ATOM 0 H LYS A 7 -8.587 7.678 -4.380 1.00 73.12 H new ATOM 0 HA LYS A 7 -9.957 9.307 -6.319 1.00 12.23 H new ATOM 0 HB2 LYS A 7 -10.477 7.023 -4.649 1.00 52.03 H new ATOM 0 HB3 LYS A 7 -11.690 8.236 -4.293 1.00 52.03 H new ATOM 0 HG2 LYS A 7 -11.711 8.346 -7.016 1.00 4.55 H new ATOM 0 HG3 LYS A 7 -11.237 6.675 -6.788 1.00 4.55 H new ATOM 0 HD2 LYS A 7 -13.465 6.282 -6.592 1.00 23.40 H new ATOM 0 HD3 LYS A 7 -13.265 6.867 -4.952 1.00 23.40 H new ATOM 0 HE2 LYS A 7 -13.793 9.192 -5.756 1.00 45.01 H new ATOM 0 HE3 LYS A 7 -14.077 8.546 -7.360 1.00 45.01 H new ATOM 0 HZ1 LYS A 7 -16.132 8.808 -6.107 1.00 64.21 H new ATOM 0 HZ2 LYS A 7 -15.859 7.174 -6.480 1.00 64.21 H new ATOM 0 HZ3 LYS A 7 -15.566 7.746 -4.909 1.00 64.21 H new ATOM 110 N CYS A 8 -10.851 11.244 -5.045 1.00 13.42 N ATOM 111 CA CYS A 8 -11.229 12.464 -4.340 1.00 5.24 C ATOM 112 C CYS A 8 -12.186 13.304 -5.179 1.00 62.22 C ATOM 113 O CYS A 8 -12.309 13.101 -6.387 1.00 42.32 O ATOM 114 CB CYS A 8 -9.984 13.283 -3.992 1.00 32.53 C ATOM 115 SG CYS A 8 -9.077 13.894 -5.431 1.00 40.51 S ATOM 0 H CYS A 8 -11.060 11.252 -6.043 1.00 13.42 H new ATOM 0 HA CYS A 8 -11.738 12.179 -3.419 1.00 5.24 H new ATOM 0 HB2 CYS A 8 -10.281 14.132 -3.376 1.00 32.53 H new ATOM 0 HB3 CYS A 8 -9.315 12.669 -3.388 1.00 32.53 H new ATOM 0 HG CYS A 8 -7.851 13.463 -5.386 1.00 40.51 H new ATOM 121 N SER A 9 -12.863 14.246 -4.531 1.00 32.33 N ATOM 122 CA SER A 9 -13.814 15.113 -5.216 1.00 72.35 C ATOM 123 C SER A 9 -13.428 16.580 -5.053 1.00 21.40 C ATOM 124 O SER A 9 -12.321 16.897 -4.616 1.00 13.12 O ATOM 125 CB SER A 9 -15.227 14.883 -4.677 1.00 73.41 C ATOM 126 OG SER A 9 -15.556 13.504 -4.679 1.00 43.12 O ATOM 0 H SER A 9 -12.770 14.428 -3.532 1.00 32.33 H new ATOM 0 HA SER A 9 -13.793 14.866 -6.277 1.00 72.35 H new ATOM 0 HB2 SER A 9 -15.301 15.276 -3.663 1.00 73.41 H new ATOM 0 HB3 SER A 9 -15.945 15.432 -5.285 1.00 73.41 H new ATOM 0 HG SER A 9 -15.258 13.095 -3.839 1.00 43.12 H new ATOM 132 N HIS A 10 -14.348 17.471 -5.408 1.00 35.55 N ATOM 133 CA HIS A 10 -14.106 18.905 -5.300 1.00 23.20 C ATOM 134 C HIS A 10 -15.377 19.695 -5.596 1.00 31.34 C ATOM 135 O HIS A 10 -16.165 19.318 -6.464 1.00 11.42 O ATOM 136 CB HIS A 10 -12.993 19.328 -6.260 1.00 14.42 C ATOM 137 CG HIS A 10 -13.280 18.998 -7.692 1.00 53.32 C ATOM 138 ND1 HIS A 10 -13.465 17.806 -8.306 1.00 11.30 N flip ATOM 139 CD2 HIS A 10 -13.406 19.957 -8.675 1.00 45.12 C flip ATOM 140 CE1 HIS A 10 -13.697 18.064 -9.635 1.00 60.52 C flip ATOM 141 NE2 HIS A 10 -13.657 19.370 -9.831 1.00 11.02 N flip ATOM 0 H HIS A 10 -15.268 17.225 -5.773 1.00 35.55 H new ATOM 0 HA HIS A 10 -13.796 19.121 -4.277 1.00 23.20 H new ATOM 0 HB2 HIS A 10 -12.834 20.402 -6.168 1.00 14.42 H new ATOM 0 HB3 HIS A 10 -12.064 18.842 -5.963 1.00 14.42 H new ATOM 0 HD1 HIS A 10 -13.437 16.887 -7.864 1.00 11.30 H new ATOM 0 HD2 HIS A 10 -13.314 21.022 -8.523 1.00 45.12 H new ATOM 0 HE1 HIS A 10 -13.882 17.320 -10.396 1.00 60.52 H new ATOM 149 N ILE A 11 -15.570 20.790 -4.868 1.00 31.40 N ATOM 150 CA ILE A 11 -16.745 21.632 -5.053 1.00 34.30 C ATOM 151 C ILE A 11 -16.390 23.109 -4.921 1.00 64.44 C ATOM 152 O ILE A 11 -15.759 23.522 -3.948 1.00 1.35 O ATOM 153 CB ILE A 11 -17.850 21.289 -4.036 1.00 24.44 C ATOM 154 CG1 ILE A 11 -18.329 19.850 -4.236 1.00 60.53 C ATOM 155 CG2 ILE A 11 -19.011 22.263 -4.166 1.00 20.42 C ATOM 156 CD1 ILE A 11 -19.283 19.375 -3.162 1.00 65.12 C ATOM 0 H ILE A 11 -14.928 21.114 -4.145 1.00 31.40 H new ATOM 0 HA ILE A 11 -17.116 21.438 -6.060 1.00 34.30 H new ATOM 0 HB ILE A 11 -17.438 21.378 -3.031 1.00 24.44 H new ATOM 0 HG12 ILE A 11 -18.819 19.770 -5.207 1.00 60.53 H new ATOM 0 HG13 ILE A 11 -17.464 19.188 -4.260 1.00 60.53 H new ATOM 0 HG21 ILE A 11 -19.783 22.007 -3.441 1.00 20.42 H new ATOM 0 HG22 ILE A 11 -18.658 23.277 -3.978 1.00 20.42 H new ATOM 0 HG23 ILE A 11 -19.425 22.204 -5.173 1.00 20.42 H new ATOM 0 HD11 ILE A 11 -19.581 18.347 -3.369 1.00 65.12 H new ATOM 0 HD12 ILE A 11 -18.790 19.422 -2.191 1.00 65.12 H new ATOM 0 HD13 ILE A 11 -20.166 20.013 -3.152 1.00 65.12 H new ATOM 168 N LEU A 12 -16.799 23.900 -5.906 1.00 53.15 N ATOM 169 CA LEU A 12 -16.526 25.333 -5.901 1.00 2.03 C ATOM 170 C LEU A 12 -17.792 26.128 -5.597 1.00 62.21 C ATOM 171 O LEU A 12 -18.850 25.874 -6.173 1.00 20.35 O ATOM 172 CB LEU A 12 -15.948 25.767 -7.249 1.00 13.41 C ATOM 173 CG LEU A 12 -14.423 25.759 -7.360 1.00 32.11 C ATOM 174 CD1 LEU A 12 -13.806 26.662 -6.303 1.00 51.14 C ATOM 175 CD2 LEU A 12 -13.887 24.341 -7.231 1.00 60.41 C ATOM 0 H LEU A 12 -17.321 23.573 -6.719 1.00 53.15 H new ATOM 0 HA LEU A 12 -15.796 25.536 -5.118 1.00 2.03 H new ATOM 0 HB2 LEU A 12 -16.352 25.113 -8.022 1.00 13.41 H new ATOM 0 HB3 LEU A 12 -16.303 26.775 -7.466 1.00 13.41 H new ATOM 0 HG LEU A 12 -14.147 26.143 -8.342 1.00 32.11 H new ATOM 0 HD11 LEU A 12 -12.720 26.644 -6.397 1.00 51.14 H new ATOM 0 HD12 LEU A 12 -14.165 27.682 -6.441 1.00 51.14 H new ATOM 0 HD13 LEU A 12 -14.090 26.309 -5.312 1.00 51.14 H new ATOM 0 HD21 LEU A 12 -12.800 24.354 -7.312 1.00 60.41 H new ATOM 0 HD22 LEU A 12 -14.174 23.930 -6.263 1.00 60.41 H new ATOM 0 HD23 LEU A 12 -14.303 23.721 -8.025 1.00 60.41 H new ATOM 187 N VAL A 13 -17.675 27.093 -4.691 1.00 13.05 N ATOM 188 CA VAL A 13 -18.809 27.928 -4.313 1.00 33.14 C ATOM 189 C VAL A 13 -18.428 29.404 -4.307 1.00 65.22 C ATOM 190 O VAL A 13 -17.310 29.768 -4.674 1.00 33.10 O ATOM 191 CB VAL A 13 -19.351 27.544 -2.923 1.00 24.23 C ATOM 192 CG1 VAL A 13 -19.813 26.095 -2.911 1.00 72.24 C ATOM 193 CG2 VAL A 13 -18.294 27.783 -1.855 1.00 64.11 C ATOM 0 H VAL A 13 -16.806 27.316 -4.205 1.00 13.05 H new ATOM 0 HA VAL A 13 -19.587 27.760 -5.058 1.00 33.14 H new ATOM 0 HB VAL A 13 -20.211 28.176 -2.700 1.00 24.23 H new ATOM 0 HG11 VAL A 13 -20.192 25.842 -1.921 1.00 72.24 H new ATOM 0 HG12 VAL A 13 -20.604 25.959 -3.648 1.00 72.24 H new ATOM 0 HG13 VAL A 13 -18.974 25.444 -3.155 1.00 72.24 H new ATOM 0 HG21 VAL A 13 -18.694 27.507 -0.879 1.00 64.11 H new ATOM 0 HG22 VAL A 13 -17.414 27.177 -2.072 1.00 64.11 H new ATOM 0 HG23 VAL A 13 -18.016 28.837 -1.848 1.00 64.11 H new ATOM 203 N SER A 14 -19.363 30.250 -3.888 1.00 31.10 N ATOM 204 CA SER A 14 -19.126 31.688 -3.838 1.00 31.24 C ATOM 205 C SER A 14 -19.118 32.187 -2.396 1.00 32.21 C ATOM 206 O SER A 14 -18.604 33.266 -2.103 1.00 4.25 O ATOM 207 CB SER A 14 -20.196 32.431 -4.641 1.00 24.24 C ATOM 208 OG SER A 14 -19.857 32.483 -6.016 1.00 23.35 O ATOM 0 H SER A 14 -20.292 29.965 -3.578 1.00 31.10 H new ATOM 0 HA SER A 14 -18.149 31.886 -4.278 1.00 31.24 H new ATOM 0 HB2 SER A 14 -21.158 31.933 -4.519 1.00 24.24 H new ATOM 0 HB3 SER A 14 -20.309 33.443 -4.253 1.00 24.24 H new ATOM 0 HG SER A 14 -20.557 32.961 -6.508 1.00 23.35 H new ATOM 214 N LYS A 15 -19.693 31.393 -1.499 1.00 3.04 N ATOM 215 CA LYS A 15 -19.752 31.751 -0.086 1.00 72.24 C ATOM 216 C LYS A 15 -19.280 30.594 0.788 1.00 34.24 C ATOM 217 O LYS A 15 -19.551 29.430 0.492 1.00 12.45 O ATOM 218 CB LYS A 15 -21.179 32.148 0.301 1.00 44.04 C ATOM 219 CG LYS A 15 -21.789 33.193 -0.617 1.00 72.12 C ATOM 220 CD LYS A 15 -23.245 33.456 -0.272 1.00 34.21 C ATOM 221 CE LYS A 15 -24.172 32.487 -0.991 1.00 13.42 C ATOM 222 NZ LYS A 15 -25.606 32.816 -0.758 1.00 20.30 N ATOM 0 H LYS A 15 -20.125 30.497 -1.725 1.00 3.04 H new ATOM 0 HA LYS A 15 -19.088 32.600 0.077 1.00 72.24 H new ATOM 0 HB2 LYS A 15 -21.809 31.259 0.295 1.00 44.04 H new ATOM 0 HB3 LYS A 15 -21.177 32.530 1.322 1.00 44.04 H new ATOM 0 HG2 LYS A 15 -21.223 34.121 -0.540 1.00 72.12 H new ATOM 0 HG3 LYS A 15 -21.714 32.858 -1.652 1.00 72.12 H new ATOM 0 HD2 LYS A 15 -23.387 33.366 0.805 1.00 34.21 H new ATOM 0 HD3 LYS A 15 -23.505 34.479 -0.543 1.00 34.21 H new ATOM 0 HE2 LYS A 15 -23.963 32.510 -2.061 1.00 13.42 H new ATOM 0 HE3 LYS A 15 -23.972 31.472 -0.649 1.00 13.42 H new ATOM 0 HZ1 LYS A 15 -26.205 32.133 -1.264 1.00 20.30 H new ATOM 0 HZ2 LYS A 15 -25.812 32.769 0.260 1.00 20.30 H new ATOM 0 HZ3 LYS A 15 -25.803 33.776 -1.107 1.00 20.30 H new ATOM 236 N GLN A 16 -18.575 30.922 1.866 1.00 13.12 N ATOM 237 CA GLN A 16 -18.067 29.909 2.784 1.00 52.12 C ATOM 238 C GLN A 16 -19.210 29.105 3.394 1.00 34.10 C ATOM 239 O GLN A 16 -19.052 27.926 3.712 1.00 15.32 O ATOM 240 CB GLN A 16 -17.240 30.563 3.892 1.00 41.33 C ATOM 241 CG GLN A 16 -17.935 31.741 4.556 1.00 72.14 C ATOM 242 CD GLN A 16 -17.597 31.864 6.028 1.00 20.43 C ATOM 243 OE1 GLN A 16 -16.459 31.630 6.437 1.00 12.43 O ATOM 244 NE2 GLN A 16 -18.586 32.232 6.834 1.00 20.34 N ATOM 0 H GLN A 16 -18.343 31.881 2.125 1.00 13.12 H new ATOM 0 HA GLN A 16 -17.430 29.229 2.218 1.00 52.12 H new ATOM 0 HB2 GLN A 16 -17.007 29.815 4.650 1.00 41.33 H new ATOM 0 HB3 GLN A 16 -16.291 30.900 3.475 1.00 41.33 H new ATOM 0 HG2 GLN A 16 -17.652 32.661 4.044 1.00 72.14 H new ATOM 0 HG3 GLN A 16 -19.014 31.632 4.443 1.00 72.14 H new ATOM 0 HE21 GLN A 16 -19.514 32.416 6.452 1.00 20.34 H new ATOM 0 HE22 GLN A 16 -18.418 32.331 7.835 1.00 20.34 H new ATOM 253 N SER A 17 -20.361 29.750 3.555 1.00 54.01 N ATOM 254 CA SER A 17 -21.530 29.096 4.131 1.00 33.21 C ATOM 255 C SER A 17 -21.964 27.908 3.277 1.00 14.40 C ATOM 256 O SER A 17 -22.608 26.981 3.767 1.00 51.13 O ATOM 257 CB SER A 17 -22.684 30.091 4.265 1.00 51.42 C ATOM 258 OG SER A 17 -23.801 29.495 4.901 1.00 11.11 O ATOM 0 H SER A 17 -20.509 30.725 3.295 1.00 54.01 H new ATOM 0 HA SER A 17 -21.259 28.730 5.121 1.00 33.21 H new ATOM 0 HB2 SER A 17 -22.356 30.958 4.838 1.00 51.42 H new ATOM 0 HB3 SER A 17 -22.973 30.452 3.278 1.00 51.42 H new ATOM 0 HG SER A 17 -24.524 30.152 4.976 1.00 11.11 H new ATOM 264 N GLU A 18 -21.607 27.946 1.997 1.00 22.11 N ATOM 265 CA GLU A 18 -21.960 26.874 1.074 1.00 32.43 C ATOM 266 C GLU A 18 -20.894 25.782 1.075 1.00 43.14 C ATOM 267 O GLU A 18 -21.203 24.597 1.197 1.00 11.30 O ATOM 268 CB GLU A 18 -22.139 27.427 -0.341 1.00 21.10 C ATOM 269 CG GLU A 18 -23.434 28.197 -0.534 1.00 51.52 C ATOM 270 CD GLU A 18 -23.778 28.404 -1.997 1.00 24.33 C ATOM 271 OE1 GLU A 18 -22.848 28.409 -2.830 1.00 42.21 O ATOM 272 OE2 GLU A 18 -24.977 28.559 -2.307 1.00 53.44 O ATOM 0 H GLU A 18 -21.074 28.707 1.576 1.00 22.11 H new ATOM 0 HA GLU A 18 -22.902 26.438 1.407 1.00 32.43 H new ATOM 0 HB2 GLU A 18 -21.299 28.081 -0.575 1.00 21.10 H new ATOM 0 HB3 GLU A 18 -22.108 26.601 -1.051 1.00 21.10 H new ATOM 0 HG2 GLU A 18 -24.248 27.660 -0.046 1.00 51.52 H new ATOM 0 HG3 GLU A 18 -23.352 29.167 -0.043 1.00 51.52 H new ATOM 279 N ALA A 19 -19.637 26.191 0.936 1.00 42.01 N ATOM 280 CA ALA A 19 -18.524 25.249 0.921 1.00 13.44 C ATOM 281 C ALA A 19 -18.411 24.513 2.252 1.00 51.01 C ATOM 282 O ALA A 19 -18.267 23.290 2.286 1.00 4.22 O ATOM 283 CB ALA A 19 -17.224 25.973 0.604 1.00 12.44 C ATOM 0 H ALA A 19 -19.364 27.168 0.832 1.00 42.01 H new ATOM 0 HA ALA A 19 -18.715 24.511 0.142 1.00 13.44 H new ATOM 0 HB1 ALA A 19 -16.402 25.258 0.596 1.00 12.44 H new ATOM 0 HB2 ALA A 19 -17.301 26.448 -0.374 1.00 12.44 H new ATOM 0 HB3 ALA A 19 -17.036 26.733 1.363 1.00 12.44 H new ATOM 289 N LEU A 20 -18.477 25.264 3.346 1.00 43.03 N ATOM 290 CA LEU A 20 -18.381 24.682 4.680 1.00 2.21 C ATOM 291 C LEU A 20 -19.587 23.797 4.976 1.00 14.43 C ATOM 292 O LEU A 20 -19.511 22.879 5.792 1.00 42.11 O ATOM 293 CB LEU A 20 -18.273 25.787 5.733 1.00 72.31 C ATOM 294 CG LEU A 20 -17.386 25.480 6.940 1.00 62.43 C ATOM 295 CD1 LEU A 20 -17.965 24.330 7.749 1.00 22.41 C ATOM 296 CD2 LEU A 20 -15.968 25.157 6.491 1.00 41.42 C ATOM 0 H LEU A 20 -18.597 26.277 3.335 1.00 43.03 H new ATOM 0 HA LEU A 20 -17.483 24.065 4.717 1.00 2.21 H new ATOM 0 HB2 LEU A 20 -17.894 26.687 5.249 1.00 72.31 H new ATOM 0 HB3 LEU A 20 -19.276 26.017 6.093 1.00 72.31 H new ATOM 0 HG LEU A 20 -17.352 26.364 7.576 1.00 62.43 H new ATOM 0 HD11 LEU A 20 -17.320 24.126 8.604 1.00 22.41 H new ATOM 0 HD12 LEU A 20 -18.961 24.598 8.101 1.00 22.41 H new ATOM 0 HD13 LEU A 20 -18.029 23.440 7.122 1.00 22.41 H new ATOM 0 HD21 LEU A 20 -15.351 24.941 7.363 1.00 41.42 H new ATOM 0 HD22 LEU A 20 -15.984 24.288 5.833 1.00 41.42 H new ATOM 0 HD23 LEU A 20 -15.553 26.010 5.955 1.00 41.42 H new ATOM 308 N ALA A 21 -20.700 24.079 4.307 1.00 52.34 N ATOM 309 CA ALA A 21 -21.922 23.307 4.495 1.00 63.42 C ATOM 310 C ALA A 21 -21.769 21.895 3.939 1.00 31.34 C ATOM 311 O ALA A 21 -22.611 21.029 4.181 1.00 64.43 O ATOM 312 CB ALA A 21 -23.098 24.011 3.836 1.00 75.22 C ATOM 0 H ALA A 21 -20.781 24.837 3.629 1.00 52.34 H new ATOM 0 HA ALA A 21 -22.113 23.230 5.565 1.00 63.42 H new ATOM 0 HB1 ALA A 21 -24.004 23.423 3.984 1.00 75.22 H new ATOM 0 HB2 ALA A 21 -23.228 24.997 4.282 1.00 75.22 H new ATOM 0 HB3 ALA A 21 -22.906 24.118 2.768 1.00 75.22 H new ATOM 318 N ILE A 22 -20.692 21.670 3.195 1.00 41.03 N ATOM 319 CA ILE A 22 -20.430 20.363 2.606 1.00 71.33 C ATOM 320 C ILE A 22 -20.042 19.346 3.674 1.00 13.11 C ATOM 321 O ILE A 22 -20.275 18.148 3.519 1.00 73.25 O ATOM 322 CB ILE A 22 -19.310 20.435 1.551 1.00 72.52 C ATOM 323 CG1 ILE A 22 -19.693 21.408 0.434 1.00 11.23 C ATOM 324 CG2 ILE A 22 -19.029 19.052 0.982 1.00 60.21 C ATOM 325 CD1 ILE A 22 -20.971 21.033 -0.283 1.00 11.04 C ATOM 0 H ILE A 22 -19.986 22.376 2.986 1.00 41.03 H new ATOM 0 HA ILE A 22 -21.354 20.044 2.123 1.00 71.33 H new ATOM 0 HB ILE A 22 -18.402 20.801 2.031 1.00 72.52 H new ATOM 0 HG12 ILE A 22 -19.802 22.407 0.855 1.00 11.23 H new ATOM 0 HG13 ILE A 22 -18.880 21.455 -0.290 1.00 11.23 H new ATOM 0 HG21 ILE A 22 -18.235 19.119 0.238 1.00 60.21 H new ATOM 0 HG22 ILE A 22 -18.718 18.384 1.785 1.00 60.21 H new ATOM 0 HG23 ILE A 22 -19.932 18.660 0.515 1.00 60.21 H new ATOM 0 HD11 ILE A 22 -21.180 21.767 -1.061 1.00 11.04 H new ATOM 0 HD12 ILE A 22 -20.859 20.047 -0.734 1.00 11.04 H new ATOM 0 HD13 ILE A 22 -21.796 21.014 0.429 1.00 11.04 H new ATOM 337 N MET A 23 -19.451 19.833 4.760 1.00 42.52 N ATOM 338 CA MET A 23 -19.033 18.967 5.856 1.00 14.22 C ATOM 339 C MET A 23 -20.118 18.882 6.925 1.00 74.21 C ATOM 340 O MET A 23 -20.146 17.943 7.720 1.00 4.10 O ATOM 341 CB MET A 23 -17.732 19.482 6.474 1.00 21.11 C ATOM 342 CG MET A 23 -17.902 20.769 7.264 1.00 1.41 C ATOM 343 SD MET A 23 -17.574 20.553 9.024 1.00 45.12 S ATOM 344 CE MET A 23 -16.481 21.938 9.337 1.00 35.32 C ATOM 0 H MET A 23 -19.251 20.823 4.905 1.00 42.52 H new ATOM 0 HA MET A 23 -18.865 17.968 5.453 1.00 14.22 H new ATOM 0 HB2 MET A 23 -17.322 18.714 7.130 1.00 21.11 H new ATOM 0 HB3 MET A 23 -17.003 19.646 5.681 1.00 21.11 H new ATOM 0 HG2 MET A 23 -17.230 21.528 6.864 1.00 1.41 H new ATOM 0 HG3 MET A 23 -18.918 21.141 7.131 1.00 1.41 H new ATOM 0 HE1 MET A 23 -15.618 21.598 9.910 1.00 35.32 H new ATOM 0 HE2 MET A 23 -16.145 22.358 8.389 1.00 35.32 H new ATOM 0 HE3 MET A 23 -17.014 22.702 9.903 1.00 35.32 H new ATOM 354 N GLU A 24 -21.010 19.868 6.937 1.00 20.11 N ATOM 355 CA GLU A 24 -22.096 19.903 7.910 1.00 42.03 C ATOM 356 C GLU A 24 -23.321 19.161 7.384 1.00 55.43 C ATOM 357 O GLU A 24 -23.954 18.392 8.107 1.00 22.33 O ATOM 358 CB GLU A 24 -22.466 21.350 8.242 1.00 5.04 C ATOM 359 CG GLU A 24 -21.277 22.297 8.243 1.00 13.02 C ATOM 360 CD GLU A 24 -21.358 23.333 9.348 1.00 43.05 C ATOM 361 OE1 GLU A 24 -22.029 24.366 9.145 1.00 40.21 O ATOM 362 OE2 GLU A 24 -20.749 23.110 10.415 1.00 21.30 O ATOM 0 H GLU A 24 -21.002 20.652 6.285 1.00 20.11 H new ATOM 0 HA GLU A 24 -21.753 19.406 8.817 1.00 42.03 H new ATOM 0 HB2 GLU A 24 -23.201 21.703 7.519 1.00 5.04 H new ATOM 0 HB3 GLU A 24 -22.944 21.379 9.221 1.00 5.04 H new ATOM 0 HG2 GLU A 24 -20.359 21.721 8.356 1.00 13.02 H new ATOM 0 HG3 GLU A 24 -21.219 22.803 7.279 1.00 13.02 H new ATOM 369 N LYS A 25 -23.652 19.399 6.119 1.00 1.40 N ATOM 370 CA LYS A 25 -24.801 18.755 5.494 1.00 43.04 C ATOM 371 C LYS A 25 -24.645 17.238 5.502 1.00 20.33 C ATOM 372 O LYS A 25 -25.497 16.519 6.027 1.00 63.11 O ATOM 373 CB LYS A 25 -24.971 19.253 4.056 1.00 22.45 C ATOM 374 CG LYS A 25 -26.307 18.880 3.438 1.00 60.22 C ATOM 375 CD LYS A 25 -27.466 19.513 4.190 1.00 63.31 C ATOM 376 CE LYS A 25 -28.614 19.859 3.255 1.00 34.30 C ATOM 377 NZ LYS A 25 -28.267 20.983 2.342 1.00 60.52 N ATOM 0 H LYS A 25 -23.140 20.034 5.506 1.00 1.40 H new ATOM 0 HA LYS A 25 -25.689 19.015 6.070 1.00 43.04 H new ATOM 0 HB2 LYS A 25 -24.863 20.338 4.041 1.00 22.45 H new ATOM 0 HB3 LYS A 25 -24.169 18.844 3.441 1.00 22.45 H new ATOM 0 HG2 LYS A 25 -26.329 19.201 2.397 1.00 60.22 H new ATOM 0 HG3 LYS A 25 -26.420 17.796 3.440 1.00 60.22 H new ATOM 0 HD2 LYS A 25 -27.818 18.828 4.962 1.00 63.31 H new ATOM 0 HD3 LYS A 25 -27.123 20.415 4.696 1.00 63.31 H new ATOM 0 HE2 LYS A 25 -28.879 18.981 2.666 1.00 34.30 H new ATOM 0 HE3 LYS A 25 -29.493 20.126 3.842 1.00 34.30 H new ATOM 0 HZ1 LYS A 25 -29.139 21.421 1.984 1.00 60.52 H new ATOM 0 HZ2 LYS A 25 -27.711 21.692 2.861 1.00 60.52 H new ATOM 0 HZ3 LYS A 25 -27.708 20.621 1.543 1.00 60.52 H new ATOM 391 N LEU A 26 -23.552 16.756 4.920 1.00 13.40 N ATOM 392 CA LEU A 26 -23.284 15.324 4.862 1.00 20.32 C ATOM 393 C LEU A 26 -23.296 14.711 6.259 1.00 72.52 C ATOM 394 O LEU A 26 -23.552 13.518 6.423 1.00 34.50 O ATOM 395 CB LEU A 26 -21.934 15.064 4.191 1.00 52.32 C ATOM 396 CG LEU A 26 -21.750 15.670 2.799 1.00 63.42 C ATOM 397 CD1 LEU A 26 -20.315 15.493 2.326 1.00 72.34 C ATOM 398 CD2 LEU A 26 -22.721 15.040 1.810 1.00 4.15 C ATOM 0 H LEU A 26 -22.837 17.337 4.482 1.00 13.40 H new ATOM 0 HA LEU A 26 -24.072 14.856 4.272 1.00 20.32 H new ATOM 0 HB2 LEU A 26 -21.148 15.449 4.840 1.00 52.32 H new ATOM 0 HB3 LEU A 26 -21.788 13.986 4.119 1.00 52.32 H new ATOM 0 HG LEU A 26 -21.963 16.737 2.857 1.00 63.42 H new ATOM 0 HD11 LEU A 26 -20.202 15.930 1.334 1.00 72.34 H new ATOM 0 HD12 LEU A 26 -19.639 15.991 3.021 1.00 72.34 H new ATOM 0 HD13 LEU A 26 -20.074 14.431 2.284 1.00 72.34 H new ATOM 0 HD21 LEU A 26 -22.576 15.483 0.825 1.00 4.15 H new ATOM 0 HD22 LEU A 26 -22.539 13.967 1.755 1.00 4.15 H new ATOM 0 HD23 LEU A 26 -23.744 15.218 2.141 1.00 4.15 H new ATOM 410 N LYS A 27 -23.020 15.535 7.264 1.00 64.24 N ATOM 411 CA LYS A 27 -23.002 15.076 8.647 1.00 2.05 C ATOM 412 C LYS A 27 -24.333 14.434 9.025 1.00 62.42 C ATOM 413 O LYS A 27 -24.396 13.599 9.928 1.00 53.51 O ATOM 414 CB LYS A 27 -22.702 16.244 9.590 1.00 41.02 C ATOM 415 CG LYS A 27 -22.141 15.813 10.934 1.00 62.43 C ATOM 416 CD LYS A 27 -20.703 15.336 10.811 1.00 74.43 C ATOM 417 CE LYS A 27 -19.736 16.504 10.704 1.00 5.11 C ATOM 418 NZ LYS A 27 -18.384 16.154 11.221 1.00 63.51 N ATOM 0 H LYS A 27 -22.806 16.525 7.146 1.00 64.24 H new ATOM 0 HA LYS A 27 -22.216 14.327 8.744 1.00 2.05 H new ATOM 0 HB2 LYS A 27 -21.992 16.916 9.108 1.00 41.02 H new ATOM 0 HB3 LYS A 27 -23.618 16.812 9.753 1.00 41.02 H new ATOM 0 HG2 LYS A 27 -22.190 16.647 11.634 1.00 62.43 H new ATOM 0 HG3 LYS A 27 -22.756 15.014 11.347 1.00 62.43 H new ATOM 0 HD2 LYS A 27 -20.445 14.727 11.677 1.00 74.43 H new ATOM 0 HD3 LYS A 27 -20.604 14.698 9.932 1.00 74.43 H new ATOM 0 HE2 LYS A 27 -19.657 16.816 9.663 1.00 5.11 H new ATOM 0 HE3 LYS A 27 -20.130 17.354 11.262 1.00 5.11 H new ATOM 0 HZ1 LYS A 27 -17.754 16.977 11.131 1.00 63.51 H new ATOM 0 HZ2 LYS A 27 -18.455 15.881 12.222 1.00 63.51 H new ATOM 0 HZ3 LYS A 27 -17.997 15.360 10.672 1.00 63.51 H new ATOM 432 N SER A 28 -25.393 14.827 8.327 1.00 75.53 N ATOM 433 CA SER A 28 -26.724 14.290 8.590 1.00 4.44 C ATOM 434 C SER A 28 -26.904 12.931 7.921 1.00 0.22 C ATOM 435 O SER A 28 -27.722 12.119 8.351 1.00 24.41 O ATOM 436 CB SER A 28 -27.796 15.262 8.094 1.00 0.21 C ATOM 437 OG SER A 28 -29.087 14.683 8.178 1.00 42.52 O ATOM 0 H SER A 28 -25.357 15.515 7.575 1.00 75.53 H new ATOM 0 HA SER A 28 -26.831 14.161 9.667 1.00 4.44 H new ATOM 0 HB2 SER A 28 -27.765 16.176 8.687 1.00 0.21 H new ATOM 0 HB3 SER A 28 -27.587 15.544 7.062 1.00 0.21 H new ATOM 0 HG SER A 28 -29.755 15.324 7.857 1.00 42.52 H new ATOM 443 N GLY A 29 -26.133 12.692 6.865 1.00 71.44 N ATOM 444 CA GLY A 29 -26.222 11.431 6.152 1.00 72.41 C ATOM 445 C GLY A 29 -26.606 11.613 4.697 1.00 72.11 C ATOM 446 O GLY A 29 -27.316 10.784 4.128 1.00 42.32 O ATOM 0 H GLY A 29 -25.448 13.349 6.490 1.00 71.44 H new ATOM 0 HA2 GLY A 29 -25.263 10.916 6.210 1.00 72.41 H new ATOM 0 HA3 GLY A 29 -26.957 10.792 6.641 1.00 72.41 H new ATOM 450 N GLU A 30 -26.137 12.701 4.095 1.00 55.34 N ATOM 451 CA GLU A 30 -26.439 12.990 2.697 1.00 1.04 C ATOM 452 C GLU A 30 -25.327 12.482 1.785 1.00 44.04 C ATOM 453 O GLU A 30 -24.450 11.732 2.213 1.00 23.43 O ATOM 454 CB GLU A 30 -26.633 14.494 2.495 1.00 41.23 C ATOM 455 CG GLU A 30 -27.396 15.167 3.623 1.00 4.15 C ATOM 456 CD GLU A 30 -28.412 16.174 3.122 1.00 75.24 C ATOM 457 OE1 GLU A 30 -28.224 16.702 2.006 1.00 54.01 O ATOM 458 OE2 GLU A 30 -29.397 16.433 3.845 1.00 2.03 O ATOM 0 H GLU A 30 -25.547 13.396 4.552 1.00 55.34 H new ATOM 0 HA GLU A 30 -27.363 12.474 2.437 1.00 1.04 H new ATOM 0 HB2 GLU A 30 -25.656 14.967 2.396 1.00 41.23 H new ATOM 0 HB3 GLU A 30 -27.165 14.660 1.558 1.00 41.23 H new ATOM 0 HG2 GLU A 30 -27.905 14.407 4.216 1.00 4.15 H new ATOM 0 HG3 GLU A 30 -26.690 15.668 4.286 1.00 4.15 H new ATOM 465 N LYS A 31 -25.370 12.896 0.523 1.00 45.02 N ATOM 466 CA LYS A 31 -24.366 12.485 -0.452 1.00 75.14 C ATOM 467 C LYS A 31 -23.554 13.682 -0.935 1.00 54.44 C ATOM 468 O LYS A 31 -24.111 14.727 -1.275 1.00 34.35 O ATOM 469 CB LYS A 31 -25.036 11.795 -1.643 1.00 42.34 C ATOM 470 CG LYS A 31 -24.116 10.846 -2.392 1.00 52.32 C ATOM 471 CD LYS A 31 -23.999 9.508 -1.683 1.00 31.42 C ATOM 472 CE LYS A 31 -25.201 8.620 -1.965 1.00 54.04 C ATOM 473 NZ LYS A 31 -25.172 8.070 -3.349 1.00 22.11 N ATOM 0 H LYS A 31 -26.090 13.516 0.151 1.00 45.02 H new ATOM 0 HA LYS A 31 -23.689 11.782 0.034 1.00 75.14 H new ATOM 0 HB2 LYS A 31 -25.906 11.241 -1.289 1.00 42.34 H new ATOM 0 HB3 LYS A 31 -25.401 12.555 -2.334 1.00 42.34 H new ATOM 0 HG2 LYS A 31 -24.495 10.692 -3.402 1.00 52.32 H new ATOM 0 HG3 LYS A 31 -23.128 11.296 -2.488 1.00 52.32 H new ATOM 0 HD2 LYS A 31 -23.089 9.003 -2.005 1.00 31.42 H new ATOM 0 HD3 LYS A 31 -23.910 9.671 -0.609 1.00 31.42 H new ATOM 0 HE2 LYS A 31 -25.222 7.799 -1.248 1.00 54.04 H new ATOM 0 HE3 LYS A 31 -26.117 9.193 -1.821 1.00 54.04 H new ATOM 0 HZ1 LYS A 31 -25.874 7.307 -3.434 1.00 22.11 H new ATOM 0 HZ2 LYS A 31 -25.398 8.825 -4.027 1.00 22.11 H new ATOM 0 HZ3 LYS A 31 -24.224 7.693 -3.553 1.00 22.11 H new ATOM 487 N PHE A 32 -22.235 13.524 -0.965 1.00 74.35 N ATOM 488 CA PHE A 32 -21.347 14.592 -1.408 1.00 3.02 C ATOM 489 C PHE A 32 -21.782 15.134 -2.766 1.00 40.11 C ATOM 490 O PHE A 32 -21.939 16.341 -2.944 1.00 12.24 O ATOM 491 CB PHE A 32 -19.905 14.085 -1.486 1.00 51.34 C ATOM 492 CG PHE A 32 -18.929 15.125 -1.959 1.00 33.22 C ATOM 493 CD1 PHE A 32 -18.780 15.390 -3.310 1.00 42.44 C ATOM 494 CD2 PHE A 32 -18.161 15.836 -1.051 1.00 40.01 C ATOM 495 CE1 PHE A 32 -17.883 16.347 -3.748 1.00 60.45 C ATOM 496 CE2 PHE A 32 -17.263 16.794 -1.483 1.00 61.52 C ATOM 497 CZ PHE A 32 -17.123 17.048 -2.834 1.00 2.35 C ATOM 0 H PHE A 32 -21.757 12.666 -0.688 1.00 74.35 H new ATOM 0 HA PHE A 32 -21.402 15.401 -0.680 1.00 3.02 H new ATOM 0 HB2 PHE A 32 -19.599 13.732 -0.501 1.00 51.34 H new ATOM 0 HB3 PHE A 32 -19.865 13.228 -2.159 1.00 51.34 H new ATOM 0 HD1 PHE A 32 -19.371 14.843 -4.030 1.00 42.44 H new ATOM 0 HD2 PHE A 32 -18.265 15.640 0.006 1.00 40.01 H new ATOM 0 HE1 PHE A 32 -17.777 16.546 -4.804 1.00 60.45 H new ATOM 0 HE2 PHE A 32 -16.672 17.343 -0.765 1.00 61.52 H new ATOM 0 HZ PHE A 32 -16.420 17.794 -3.174 1.00 2.35 H new ATOM 507 N GLY A 33 -21.974 14.231 -3.723 1.00 55.11 N ATOM 508 CA GLY A 33 -22.389 14.637 -5.053 1.00 42.04 C ATOM 509 C GLY A 33 -23.679 15.432 -5.041 1.00 53.04 C ATOM 510 O GLY A 33 -23.908 16.272 -5.912 1.00 0.55 O ATOM 0 H GLY A 33 -21.850 13.226 -3.601 1.00 55.11 H new ATOM 0 HA2 GLY A 33 -21.601 15.236 -5.509 1.00 42.04 H new ATOM 0 HA3 GLY A 33 -22.517 13.752 -5.676 1.00 42.04 H new ATOM 514 N LYS A 34 -24.527 15.166 -4.054 1.00 31.15 N ATOM 515 CA LYS A 34 -25.802 15.862 -3.931 1.00 35.21 C ATOM 516 C LYS A 34 -25.593 17.370 -3.843 1.00 40.23 C ATOM 517 O LYS A 34 -26.490 18.151 -4.164 1.00 2.51 O ATOM 518 CB LYS A 34 -26.559 15.369 -2.695 1.00 72.25 C ATOM 519 CG LYS A 34 -28.042 15.698 -2.719 1.00 21.40 C ATOM 520 CD LYS A 34 -28.854 14.666 -1.955 1.00 31.52 C ATOM 521 CE LYS A 34 -30.347 14.930 -2.076 1.00 0.44 C ATOM 522 NZ LYS A 34 -30.835 14.728 -3.468 1.00 34.53 N ATOM 0 H LYS A 34 -24.354 14.472 -3.326 1.00 31.15 H new ATOM 0 HA LYS A 34 -26.392 15.646 -4.822 1.00 35.21 H new ATOM 0 HB2 LYS A 34 -26.436 14.289 -2.611 1.00 72.25 H new ATOM 0 HB3 LYS A 34 -26.112 15.811 -1.805 1.00 72.25 H new ATOM 0 HG2 LYS A 34 -28.204 16.684 -2.284 1.00 21.40 H new ATOM 0 HG3 LYS A 34 -28.389 15.744 -3.751 1.00 21.40 H new ATOM 0 HD2 LYS A 34 -28.628 13.670 -2.335 1.00 31.52 H new ATOM 0 HD3 LYS A 34 -28.565 14.680 -0.904 1.00 31.52 H new ATOM 0 HE2 LYS A 34 -30.889 14.267 -1.401 1.00 0.44 H new ATOM 0 HE3 LYS A 34 -30.562 15.951 -1.760 1.00 0.44 H new ATOM 0 HZ1 LYS A 34 -31.875 14.700 -3.471 1.00 34.53 H new ATOM 0 HZ2 LYS A 34 -30.508 15.512 -4.068 1.00 34.53 H new ATOM 0 HZ3 LYS A 34 -30.463 13.830 -3.839 1.00 34.53 H new ATOM 536 N LEU A 35 -24.404 17.773 -3.409 1.00 11.50 N ATOM 537 CA LEU A 35 -24.076 19.189 -3.281 1.00 12.20 C ATOM 538 C LEU A 35 -23.124 19.630 -4.388 1.00 25.32 C ATOM 539 O LEU A 35 -23.096 20.800 -4.767 1.00 52.03 O ATOM 540 CB LEU A 35 -23.450 19.466 -1.913 1.00 41.11 C ATOM 541 CG LEU A 35 -24.061 18.714 -0.730 1.00 61.24 C ATOM 542 CD1 LEU A 35 -23.390 19.128 0.570 1.00 52.41 C ATOM 543 CD2 LEU A 35 -25.561 18.958 -0.660 1.00 53.44 C ATOM 0 H LEU A 35 -23.651 17.140 -3.140 1.00 11.50 H new ATOM 0 HA LEU A 35 -25.000 19.760 -3.373 1.00 12.20 H new ATOM 0 HB2 LEU A 35 -22.389 19.221 -1.965 1.00 41.11 H new ATOM 0 HB3 LEU A 35 -23.520 20.535 -1.713 1.00 41.11 H new ATOM 0 HG LEU A 35 -23.894 17.647 -0.877 1.00 61.24 H new ATOM 0 HD11 LEU A 35 -23.838 18.582 1.401 1.00 52.41 H new ATOM 0 HD12 LEU A 35 -22.325 18.900 0.519 1.00 52.41 H new ATOM 0 HD13 LEU A 35 -23.525 20.199 0.724 1.00 52.41 H new ATOM 0 HD21 LEU A 35 -25.979 18.415 0.188 1.00 53.44 H new ATOM 0 HD22 LEU A 35 -25.751 20.024 -0.537 1.00 53.44 H new ATOM 0 HD23 LEU A 35 -26.030 18.610 -1.580 1.00 53.44 H new ATOM 555 N ALA A 36 -22.345 18.684 -4.903 1.00 31.43 N ATOM 556 CA ALA A 36 -21.394 18.973 -5.969 1.00 13.21 C ATOM 557 C ALA A 36 -22.109 19.185 -7.299 1.00 60.23 C ATOM 558 O ALA A 36 -21.561 19.789 -8.221 1.00 63.25 O ATOM 559 CB ALA A 36 -20.376 17.849 -6.088 1.00 0.04 C ATOM 0 H ALA A 36 -22.354 17.710 -4.599 1.00 31.43 H new ATOM 0 HA ALA A 36 -20.871 19.895 -5.716 1.00 13.21 H new ATOM 0 HB1 ALA A 36 -19.672 18.079 -6.888 1.00 0.04 H new ATOM 0 HB2 ALA A 36 -19.835 17.747 -5.147 1.00 0.04 H new ATOM 0 HB3 ALA A 36 -20.890 16.915 -6.314 1.00 0.04 H new ATOM 565 N LYS A 37 -23.336 18.683 -7.393 1.00 2.22 N ATOM 566 CA LYS A 37 -24.127 18.817 -8.610 1.00 40.32 C ATOM 567 C LYS A 37 -24.944 20.105 -8.589 1.00 41.31 C ATOM 568 O LYS A 37 -25.812 20.313 -9.436 1.00 14.34 O ATOM 569 CB LYS A 37 -25.057 17.613 -8.774 1.00 14.35 C ATOM 570 CG LYS A 37 -25.061 17.034 -10.177 1.00 72.44 C ATOM 571 CD LYS A 37 -26.371 16.328 -10.486 1.00 20.12 C ATOM 572 CE LYS A 37 -26.595 16.198 -11.985 1.00 24.33 C ATOM 573 NZ LYS A 37 -27.119 17.459 -12.579 1.00 23.51 N ATOM 0 H LYS A 37 -23.804 18.179 -6.640 1.00 2.22 H new ATOM 0 HA LYS A 37 -23.441 18.856 -9.456 1.00 40.32 H new ATOM 0 HB2 LYS A 37 -24.759 16.836 -8.070 1.00 14.35 H new ATOM 0 HB3 LYS A 37 -26.072 17.910 -8.510 1.00 14.35 H new ATOM 0 HG2 LYS A 37 -24.897 17.832 -10.901 1.00 72.44 H new ATOM 0 HG3 LYS A 37 -24.234 16.332 -10.284 1.00 72.44 H new ATOM 0 HD2 LYS A 37 -26.368 15.338 -10.030 1.00 20.12 H new ATOM 0 HD3 LYS A 37 -27.198 16.881 -10.040 1.00 20.12 H new ATOM 0 HE2 LYS A 37 -25.657 15.930 -12.471 1.00 24.33 H new ATOM 0 HE3 LYS A 37 -27.297 15.387 -12.178 1.00 24.33 H new ATOM 0 HZ1 LYS A 37 -27.258 17.329 -13.601 1.00 23.51 H new ATOM 0 HZ2 LYS A 37 -28.027 17.701 -12.134 1.00 23.51 H new ATOM 0 HZ3 LYS A 37 -26.438 18.228 -12.417 1.00 23.51 H new ATOM 587 N GLU A 38 -24.658 20.966 -7.617 1.00 52.33 N ATOM 588 CA GLU A 38 -25.367 22.234 -7.488 1.00 0.00 C ATOM 589 C GLU A 38 -24.420 23.344 -7.041 1.00 22.20 C ATOM 590 O GLU A 38 -24.177 24.302 -7.776 1.00 11.00 O ATOM 591 CB GLU A 38 -26.520 22.100 -6.491 1.00 24.23 C ATOM 592 CG GLU A 38 -27.403 20.889 -6.740 1.00 63.24 C ATOM 593 CD GLU A 38 -28.181 20.992 -8.038 1.00 24.30 C ATOM 594 OE1 GLU A 38 -28.392 22.127 -8.514 1.00 34.14 O ATOM 595 OE2 GLU A 38 -28.578 19.938 -8.578 1.00 24.15 O ATOM 0 H GLU A 38 -23.941 20.809 -6.908 1.00 52.33 H new ATOM 0 HA GLU A 38 -25.770 22.496 -8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -26.112 22.040 -5.482 1.00 24.23 H new ATOM 0 HB3 GLU A 38 -27.133 23.001 -6.534 1.00 24.23 H new ATOM 0 HG2 GLU A 38 -26.785 19.991 -6.761 1.00 63.24 H new ATOM 0 HG3 GLU A 38 -28.101 20.776 -5.910 1.00 63.24 H new ATOM 602 N LEU A 39 -23.888 23.208 -5.831 1.00 61.24 N ATOM 603 CA LEU A 39 -22.967 24.199 -5.285 1.00 33.44 C ATOM 604 C LEU A 39 -21.778 24.409 -6.216 1.00 40.42 C ATOM 605 O LEU A 39 -21.400 25.543 -6.510 1.00 54.52 O ATOM 606 CB LEU A 39 -22.477 23.760 -3.904 1.00 4.44 C ATOM 607 CG LEU A 39 -23.537 23.695 -2.804 1.00 52.01 C ATOM 608 CD1 LEU A 39 -22.896 23.377 -1.462 1.00 60.23 C ATOM 609 CD2 LEU A 39 -24.311 25.003 -2.731 1.00 3.53 C ATOM 0 H LEU A 39 -24.078 22.422 -5.210 1.00 61.24 H new ATOM 0 HA LEU A 39 -23.502 25.144 -5.191 1.00 33.44 H new ATOM 0 HB2 LEU A 39 -22.020 22.775 -3.999 1.00 4.44 H new ATOM 0 HB3 LEU A 39 -21.692 24.446 -3.584 1.00 4.44 H new ATOM 0 HG LEU A 39 -24.236 22.895 -3.047 1.00 52.01 H new ATOM 0 HD11 LEU A 39 -23.666 23.335 -0.692 1.00 60.23 H new ATOM 0 HD12 LEU A 39 -22.388 22.414 -1.520 1.00 60.23 H new ATOM 0 HD13 LEU A 39 -22.174 24.154 -1.211 1.00 60.23 H new ATOM 0 HD21 LEU A 39 -25.061 24.938 -1.943 1.00 3.53 H new ATOM 0 HD22 LEU A 39 -23.624 25.821 -2.512 1.00 3.53 H new ATOM 0 HD23 LEU A 39 -24.803 25.188 -3.686 1.00 3.53 H new ATOM 621 N SER A 40 -21.193 23.309 -6.679 1.00 0.11 N ATOM 622 CA SER A 40 -20.045 23.373 -7.576 1.00 54.23 C ATOM 623 C SER A 40 -20.335 24.285 -8.765 1.00 13.14 C ATOM 624 O SER A 40 -21.045 23.903 -9.696 1.00 23.34 O ATOM 625 CB SER A 40 -19.679 21.973 -8.071 1.00 74.41 C ATOM 626 OG SER A 40 -18.289 21.868 -8.325 1.00 0.54 O ATOM 0 H SER A 40 -21.495 22.363 -6.448 1.00 0.11 H new ATOM 0 HA SER A 40 -19.203 23.786 -7.020 1.00 54.23 H new ATOM 0 HB2 SER A 40 -19.973 21.233 -7.327 1.00 74.41 H new ATOM 0 HB3 SER A 40 -20.236 21.749 -8.981 1.00 74.41 H new ATOM 0 HG SER A 40 -18.081 20.963 -8.639 1.00 0.54 H new ATOM 632 N ILE A 41 -19.781 25.492 -8.725 1.00 15.22 N ATOM 633 CA ILE A 41 -19.979 26.459 -9.798 1.00 31.41 C ATOM 634 C ILE A 41 -19.177 26.076 -11.037 1.00 71.31 C ATOM 635 O ILE A 41 -19.466 26.534 -12.142 1.00 54.15 O ATOM 636 CB ILE A 41 -19.576 27.879 -9.358 1.00 73.51 C ATOM 637 CG1 ILE A 41 -18.115 27.900 -8.904 1.00 53.33 C ATOM 638 CG2 ILE A 41 -20.490 28.367 -8.244 1.00 40.11 C ATOM 639 CD1 ILE A 41 -17.402 29.195 -9.225 1.00 12.21 C ATOM 0 H ILE A 41 -19.192 25.824 -7.961 1.00 15.22 H new ATOM 0 HA ILE A 41 -21.042 26.450 -10.039 1.00 31.41 H new ATOM 0 HB ILE A 41 -19.682 28.552 -10.209 1.00 73.51 H new ATOM 0 HG12 ILE A 41 -18.075 27.729 -7.828 1.00 53.33 H new ATOM 0 HG13 ILE A 41 -17.584 27.075 -9.378 1.00 53.33 H new ATOM 0 HG21 ILE A 41 -20.193 29.372 -7.944 1.00 40.11 H new ATOM 0 HG22 ILE A 41 -21.520 28.384 -8.600 1.00 40.11 H new ATOM 0 HG23 ILE A 41 -20.413 27.695 -7.389 1.00 40.11 H new ATOM 0 HD11 ILE A 41 -16.371 29.139 -8.875 1.00 12.21 H new ATOM 0 HD12 ILE A 41 -17.411 29.358 -10.303 1.00 12.21 H new ATOM 0 HD13 ILE A 41 -17.909 30.022 -8.729 1.00 12.21 H new ATOM 651 N ASP A 42 -18.170 25.232 -10.845 1.00 65.52 N ATOM 652 CA ASP A 42 -17.327 24.784 -11.948 1.00 23.31 C ATOM 653 C ASP A 42 -18.138 23.981 -12.960 1.00 44.04 C ATOM 654 O ASP A 42 -18.568 22.863 -12.679 1.00 71.41 O ATOM 655 CB ASP A 42 -16.166 23.939 -11.420 1.00 72.42 C ATOM 656 CG ASP A 42 -15.167 23.586 -12.505 1.00 31.25 C ATOM 657 OD1 ASP A 42 -15.440 23.889 -13.685 1.00 34.30 O ATOM 658 OD2 ASP A 42 -14.111 23.008 -12.173 1.00 34.35 O ATOM 0 H ASP A 42 -17.917 24.844 -9.936 1.00 65.52 H new ATOM 0 HA ASP A 42 -16.926 25.666 -12.448 1.00 23.31 H new ATOM 0 HB2 ASP A 42 -15.657 24.483 -10.624 1.00 72.42 H new ATOM 0 HB3 ASP A 42 -16.558 23.023 -10.979 1.00 72.42 H new ATOM 663 N SER A 43 -18.343 24.560 -14.139 1.00 41.11 N ATOM 664 CA SER A 43 -19.106 23.901 -15.192 1.00 34.20 C ATOM 665 C SER A 43 -18.569 22.497 -15.455 1.00 14.20 C ATOM 666 O SER A 43 -19.328 21.575 -15.751 1.00 53.31 O ATOM 667 CB SER A 43 -19.059 24.727 -16.479 1.00 20.30 C ATOM 668 OG SER A 43 -19.817 25.917 -16.349 1.00 44.22 O ATOM 0 H SER A 43 -17.991 25.484 -14.389 1.00 41.11 H new ATOM 0 HA SER A 43 -20.141 23.819 -14.859 1.00 34.20 H new ATOM 0 HB2 SER A 43 -18.025 24.975 -16.718 1.00 20.30 H new ATOM 0 HB3 SER A 43 -19.445 24.135 -17.309 1.00 20.30 H new ATOM 0 HG SER A 43 -19.770 26.428 -17.184 1.00 44.22 H new ATOM 674 N GLY A 44 -17.253 22.343 -15.344 1.00 52.43 N ATOM 675 CA GLY A 44 -16.636 21.050 -15.573 1.00 44.31 C ATOM 676 C GLY A 44 -16.473 20.251 -14.295 1.00 40.23 C ATOM 677 O GLY A 44 -15.414 19.675 -14.046 1.00 73.32 O ATOM 0 H GLY A 44 -16.604 23.091 -15.100 1.00 52.43 H new ATOM 0 HA2 GLY A 44 -17.242 20.482 -16.278 1.00 44.31 H new ATOM 0 HA3 GLY A 44 -15.659 21.194 -16.035 1.00 44.31 H new ATOM 681 N SER A 45 -17.524 20.218 -13.482 1.00 60.33 N ATOM 682 CA SER A 45 -17.491 19.488 -12.220 1.00 72.13 C ATOM 683 C SER A 45 -18.902 19.137 -11.759 1.00 34.30 C ATOM 684 O SER A 45 -19.151 18.035 -11.270 1.00 53.04 O ATOM 685 CB SER A 45 -16.783 20.316 -11.146 1.00 64.34 C ATOM 686 OG SER A 45 -15.632 20.954 -11.672 1.00 2.35 O ATOM 0 H SER A 45 -18.409 20.688 -13.675 1.00 60.33 H new ATOM 0 HA SER A 45 -16.938 18.562 -12.378 1.00 72.13 H new ATOM 0 HB2 SER A 45 -17.468 21.065 -10.749 1.00 64.34 H new ATOM 0 HB3 SER A 45 -16.498 19.672 -10.314 1.00 64.34 H new ATOM 0 HG SER A 45 -14.832 20.606 -11.225 1.00 2.35 H new ATOM 692 N ALA A 46 -19.823 20.082 -11.918 1.00 44.22 N ATOM 693 CA ALA A 46 -21.209 19.873 -11.520 1.00 53.45 C ATOM 694 C ALA A 46 -21.858 18.771 -12.350 1.00 72.32 C ATOM 695 O ALA A 46 -22.929 18.269 -12.007 1.00 1.14 O ATOM 696 CB ALA A 46 -21.997 21.169 -11.652 1.00 61.51 C ATOM 0 H ALA A 46 -19.634 21.000 -12.320 1.00 44.22 H new ATOM 0 HA ALA A 46 -21.218 19.559 -10.476 1.00 53.45 H new ATOM 0 HB1 ALA A 46 -23.031 20.998 -11.351 1.00 61.51 H new ATOM 0 HB2 ALA A 46 -21.554 21.931 -11.011 1.00 61.51 H new ATOM 0 HB3 ALA A 46 -21.971 21.506 -12.688 1.00 61.51 H new ATOM 702 N LYS A 47 -21.204 18.398 -13.445 1.00 20.53 N ATOM 703 CA LYS A 47 -21.716 17.354 -14.324 1.00 72.53 C ATOM 704 C LYS A 47 -21.259 15.975 -13.857 1.00 0.51 C ATOM 705 O LYS A 47 -21.849 14.958 -14.220 1.00 34.35 O ATOM 706 CB LYS A 47 -21.252 17.596 -15.762 1.00 43.12 C ATOM 707 CG LYS A 47 -22.054 16.828 -16.798 1.00 52.43 C ATOM 708 CD LYS A 47 -21.396 16.884 -18.167 1.00 11.13 C ATOM 709 CE LYS A 47 -21.913 15.782 -19.079 1.00 3.10 C ATOM 710 NZ LYS A 47 -21.275 14.470 -18.780 1.00 45.24 N ATOM 0 H LYS A 47 -20.318 18.804 -13.745 1.00 20.53 H new ATOM 0 HA LYS A 47 -22.805 17.387 -14.289 1.00 72.53 H new ATOM 0 HB2 LYS A 47 -21.317 18.662 -15.981 1.00 43.12 H new ATOM 0 HB3 LYS A 47 -20.202 17.317 -15.848 1.00 43.12 H new ATOM 0 HG2 LYS A 47 -22.155 15.789 -16.484 1.00 52.43 H new ATOM 0 HG3 LYS A 47 -23.061 17.242 -16.860 1.00 52.43 H new ATOM 0 HD2 LYS A 47 -21.586 17.855 -18.624 1.00 11.13 H new ATOM 0 HD3 LYS A 47 -20.316 16.790 -18.057 1.00 11.13 H new ATOM 0 HE2 LYS A 47 -22.994 15.694 -18.966 1.00 3.10 H new ATOM 0 HE3 LYS A 47 -21.722 16.051 -20.118 1.00 3.10 H new ATOM 0 HZ1 LYS A 47 -21.654 13.745 -19.423 1.00 45.24 H new ATOM 0 HZ2 LYS A 47 -20.246 14.546 -18.912 1.00 45.24 H new ATOM 0 HZ3 LYS A 47 -21.479 14.201 -17.796 1.00 45.24 H new ATOM 724 N LYS A 48 -20.205 15.950 -13.049 1.00 24.43 N ATOM 725 CA LYS A 48 -19.669 14.697 -12.529 1.00 12.14 C ATOM 726 C LYS A 48 -19.750 14.662 -11.006 1.00 23.42 C ATOM 727 O LYS A 48 -18.969 13.974 -10.350 1.00 31.53 O ATOM 728 CB LYS A 48 -18.218 14.514 -12.978 1.00 23.44 C ATOM 729 CG LYS A 48 -17.402 15.794 -12.936 1.00 42.03 C ATOM 730 CD LYS A 48 -17.472 16.543 -14.257 1.00 22.33 C ATOM 731 CE LYS A 48 -16.348 16.127 -15.193 1.00 41.14 C ATOM 732 NZ LYS A 48 -16.617 16.538 -16.599 1.00 43.51 N ATOM 0 H LYS A 48 -19.705 16.783 -12.740 1.00 24.43 H new ATOM 0 HA LYS A 48 -20.271 13.880 -12.926 1.00 12.14 H new ATOM 0 HB2 LYS A 48 -17.741 13.768 -12.342 1.00 23.44 H new ATOM 0 HB3 LYS A 48 -18.208 14.120 -13.994 1.00 23.44 H new ATOM 0 HG2 LYS A 48 -17.769 16.434 -12.134 1.00 42.03 H new ATOM 0 HG3 LYS A 48 -16.363 15.557 -12.705 1.00 42.03 H new ATOM 0 HD2 LYS A 48 -18.433 16.353 -14.734 1.00 22.33 H new ATOM 0 HD3 LYS A 48 -17.415 17.616 -14.072 1.00 22.33 H new ATOM 0 HE2 LYS A 48 -15.412 16.573 -14.857 1.00 41.14 H new ATOM 0 HE3 LYS A 48 -16.220 15.045 -15.149 1.00 41.14 H new ATOM 0 HZ1 LYS A 48 -15.828 16.236 -17.206 1.00 43.51 H new ATOM 0 HZ2 LYS A 48 -17.497 16.093 -16.929 1.00 43.51 H new ATOM 0 HZ3 LYS A 48 -16.714 17.572 -16.646 1.00 43.51 H new ATOM 746 N ASN A 49 -20.700 15.407 -10.450 1.00 61.35 N ATOM 747 CA ASN A 49 -20.883 15.459 -9.004 1.00 44.35 C ATOM 748 C ASN A 49 -19.577 15.825 -8.304 1.00 74.32 C ATOM 749 O ASN A 49 -19.322 15.395 -7.180 1.00 72.42 O ATOM 750 CB ASN A 49 -21.394 14.114 -8.485 1.00 0.11 C ATOM 751 CG ASN A 49 -22.831 13.846 -8.890 1.00 4.20 C ATOM 752 OD1 ASN A 49 -23.105 12.956 -9.695 1.00 24.43 O ATOM 753 ND2 ASN A 49 -23.756 14.618 -8.333 1.00 12.34 N ATOM 0 H ASN A 49 -21.355 15.983 -10.979 1.00 61.35 H new ATOM 0 HA ASN A 49 -21.622 16.230 -8.783 1.00 44.35 H new ATOM 0 HB2 ASN A 49 -20.757 13.315 -8.865 1.00 0.11 H new ATOM 0 HB3 ASN A 49 -21.316 14.094 -7.398 1.00 0.11 H new ATOM 0 HD21 ASN A 49 -24.740 14.485 -8.568 1.00 12.34 H new ATOM 0 HD22 ASN A 49 -23.483 15.344 -7.670 1.00 12.34 H new ATOM 760 N GLY A 50 -18.754 16.623 -8.977 1.00 61.44 N ATOM 761 CA GLY A 50 -17.485 17.033 -8.404 1.00 54.14 C ATOM 762 C GLY A 50 -16.551 15.863 -8.167 1.00 0.54 C ATOM 763 O GLY A 50 -15.549 15.994 -7.465 1.00 61.21 O ATOM 0 H GLY A 50 -18.943 16.993 -9.909 1.00 61.44 H new ATOM 0 HA2 GLY A 50 -17.004 17.749 -9.070 1.00 54.14 H new ATOM 0 HA3 GLY A 50 -17.665 17.547 -7.460 1.00 54.14 H new ATOM 767 N ASN A 51 -16.881 14.716 -8.751 1.00 42.32 N ATOM 768 CA ASN A 51 -16.064 13.518 -8.597 1.00 74.42 C ATOM 769 C ASN A 51 -15.045 13.405 -9.727 1.00 33.31 C ATOM 770 O ASN A 51 -15.367 12.948 -10.825 1.00 21.33 O ATOM 771 CB ASN A 51 -16.951 12.271 -8.569 1.00 15.31 C ATOM 772 CG ASN A 51 -16.214 11.049 -8.058 1.00 34.52 C ATOM 773 OD1 ASN A 51 -16.153 10.806 -6.852 1.00 44.14 O ATOM 774 ND2 ASN A 51 -15.651 10.271 -8.975 1.00 43.32 N ATOM 0 H ASN A 51 -17.708 14.591 -9.335 1.00 42.32 H new ATOM 0 HA ASN A 51 -15.526 13.595 -7.652 1.00 74.42 H new ATOM 0 HB2 ASN A 51 -17.818 12.460 -7.936 1.00 15.31 H new ATOM 0 HB3 ASN A 51 -17.326 12.072 -9.573 1.00 15.31 H new ATOM 0 HD21 ASN A 51 -15.143 9.433 -8.691 1.00 43.32 H new ATOM 0 HD22 ASN A 51 -15.727 10.511 -9.963 1.00 43.32 H new ATOM 781 N LEU A 52 -13.815 13.823 -9.451 1.00 12.25 N ATOM 782 CA LEU A 52 -12.747 13.769 -10.443 1.00 34.20 C ATOM 783 C LEU A 52 -12.056 12.410 -10.424 1.00 65.54 C ATOM 784 O LEU A 52 -11.049 12.205 -11.101 1.00 24.21 O ATOM 785 CB LEU A 52 -11.726 14.877 -10.183 1.00 41.43 C ATOM 786 CG LEU A 52 -11.104 14.903 -8.787 1.00 4.02 C ATOM 787 CD1 LEU A 52 -9.943 13.924 -8.701 1.00 72.35 C ATOM 788 CD2 LEU A 52 -10.644 16.310 -8.434 1.00 23.14 C ATOM 0 H LEU A 52 -13.532 14.203 -8.548 1.00 12.25 H new ATOM 0 HA LEU A 52 -13.191 13.917 -11.428 1.00 34.20 H new ATOM 0 HB2 LEU A 52 -10.924 14.783 -10.915 1.00 41.43 H new ATOM 0 HB3 LEU A 52 -12.209 15.838 -10.362 1.00 41.43 H new ATOM 0 HG LEU A 52 -11.863 14.599 -8.067 1.00 4.02 H new ATOM 0 HD11 LEU A 52 -9.513 13.957 -7.700 1.00 72.35 H new ATOM 0 HD12 LEU A 52 -10.301 12.916 -8.909 1.00 72.35 H new ATOM 0 HD13 LEU A 52 -9.182 14.197 -9.432 1.00 72.35 H new ATOM 0 HD21 LEU A 52 -10.204 16.309 -7.437 1.00 23.14 H new ATOM 0 HD22 LEU A 52 -9.901 16.642 -9.159 1.00 23.14 H new ATOM 0 HD23 LEU A 52 -11.498 16.987 -8.453 1.00 23.14 H new ATOM 800 N GLY A 53 -12.605 11.482 -9.646 1.00 3.02 N ATOM 801 CA GLY A 53 -12.028 10.153 -9.555 1.00 54.23 C ATOM 802 C GLY A 53 -10.614 10.171 -9.010 1.00 33.54 C ATOM 803 O GLY A 53 -10.341 10.811 -7.994 1.00 72.11 O ATOM 0 H GLY A 53 -13.439 11.627 -9.077 1.00 3.02 H new ATOM 0 HA2 GLY A 53 -12.653 9.532 -8.914 1.00 54.23 H new ATOM 0 HA3 GLY A 53 -12.028 9.692 -10.543 1.00 54.23 H new ATOM 807 N TYR A 54 -9.713 9.464 -9.683 1.00 54.44 N ATOM 808 CA TYR A 54 -8.320 9.398 -9.258 1.00 35.44 C ATOM 809 C TYR A 54 -7.508 10.535 -9.870 1.00 74.32 C ATOM 810 O TYR A 54 -7.690 10.885 -11.036 1.00 72.15 O ATOM 811 CB TYR A 54 -7.710 8.051 -9.649 1.00 45.13 C ATOM 812 CG TYR A 54 -7.680 7.048 -8.519 1.00 20.34 C ATOM 813 CD1 TYR A 54 -8.766 6.903 -7.664 1.00 72.31 C ATOM 814 CD2 TYR A 54 -6.566 6.246 -8.304 1.00 32.50 C ATOM 815 CE1 TYR A 54 -8.744 5.988 -6.629 1.00 64.22 C ATOM 816 CE2 TYR A 54 -6.535 5.327 -7.273 1.00 14.03 C ATOM 817 CZ TYR A 54 -7.626 5.202 -6.438 1.00 13.00 C ATOM 818 OH TYR A 54 -7.599 4.289 -5.409 1.00 0.24 O ATOM 0 H TYR A 54 -9.923 8.928 -10.525 1.00 54.44 H new ATOM 0 HA TYR A 54 -8.292 9.501 -8.173 1.00 35.44 H new ATOM 0 HB2 TYR A 54 -8.278 7.632 -10.480 1.00 45.13 H new ATOM 0 HB3 TYR A 54 -6.693 8.213 -10.007 1.00 45.13 H new ATOM 0 HD1 TYR A 54 -9.643 7.516 -7.811 1.00 72.31 H new ATOM 0 HD2 TYR A 54 -5.709 6.343 -8.954 1.00 32.50 H new ATOM 0 HE1 TYR A 54 -9.597 5.889 -5.973 1.00 64.22 H new ATOM 0 HE2 TYR A 54 -5.662 4.710 -7.122 1.00 14.03 H new ATOM 0 HH TYR A 54 -6.741 3.816 -5.414 1.00 0.24 H new ATOM 828 N PHE A 55 -6.611 11.107 -9.075 1.00 1.32 N ATOM 829 CA PHE A 55 -5.770 12.205 -9.537 1.00 1.30 C ATOM 830 C PHE A 55 -4.348 12.064 -9.002 1.00 20.31 C ATOM 831 O PHE A 55 -4.032 11.110 -8.290 1.00 24.10 O ATOM 832 CB PHE A 55 -6.360 13.547 -9.099 1.00 54.21 C ATOM 833 CG PHE A 55 -5.888 13.997 -7.746 1.00 41.12 C ATOM 834 CD1 PHE A 55 -5.999 13.162 -6.646 1.00 11.20 C ATOM 835 CD2 PHE A 55 -5.332 15.255 -7.575 1.00 32.43 C ATOM 836 CE1 PHE A 55 -5.566 13.574 -5.400 1.00 1.21 C ATOM 837 CE2 PHE A 55 -4.897 15.672 -6.331 1.00 3.00 C ATOM 838 CZ PHE A 55 -5.013 14.830 -5.242 1.00 41.04 C ATOM 0 H PHE A 55 -6.447 10.829 -8.107 1.00 1.32 H new ATOM 0 HA PHE A 55 -5.735 12.169 -10.626 1.00 1.30 H new ATOM 0 HB2 PHE A 55 -6.101 14.307 -9.836 1.00 54.21 H new ATOM 0 HB3 PHE A 55 -7.447 13.471 -9.089 1.00 54.21 H new ATOM 0 HD1 PHE A 55 -6.429 12.178 -6.764 1.00 11.20 H new ATOM 0 HD2 PHE A 55 -5.238 15.917 -8.423 1.00 32.43 H new ATOM 0 HE1 PHE A 55 -5.660 12.914 -4.550 1.00 1.21 H new ATOM 0 HE2 PHE A 55 -4.467 16.655 -6.211 1.00 3.00 H new ATOM 0 HZ PHE A 55 -4.672 15.153 -4.269 1.00 41.04 H new ATOM 848 N THR A 56 -3.493 13.020 -9.350 1.00 42.14 N ATOM 849 CA THR A 56 -2.104 13.002 -8.908 1.00 14.42 C ATOM 850 C THR A 56 -1.572 14.417 -8.710 1.00 52.24 C ATOM 851 O THR A 56 -2.294 15.396 -8.903 1.00 62.12 O ATOM 852 CB THR A 56 -1.203 12.263 -9.915 1.00 12.04 C ATOM 853 OG1 THR A 56 -1.088 13.026 -11.121 1.00 23.20 O ATOM 854 CG2 THR A 56 -1.763 10.885 -10.232 1.00 34.32 C ATOM 0 H THR A 56 -3.738 13.817 -9.937 1.00 42.14 H new ATOM 0 HA THR A 56 -2.082 12.472 -7.956 1.00 14.42 H new ATOM 0 HB THR A 56 -0.217 12.142 -9.467 1.00 12.04 H new ATOM 0 HG1 THR A 56 -0.512 12.550 -11.755 1.00 23.20 H new ATOM 0 HG21 THR A 56 -1.110 10.382 -10.945 1.00 34.32 H new ATOM 0 HG22 THR A 56 -1.822 10.297 -9.316 1.00 34.32 H new ATOM 0 HG23 THR A 56 -2.759 10.987 -10.662 1.00 34.32 H new ATOM 862 N LYS A 57 -0.305 14.519 -8.325 1.00 44.13 N ATOM 863 CA LYS A 57 0.326 15.815 -8.103 1.00 64.34 C ATOM 864 C LYS A 57 0.776 16.434 -9.423 1.00 11.12 C ATOM 865 O LYS A 57 1.765 16.006 -10.016 1.00 32.52 O ATOM 866 CB LYS A 57 1.524 15.667 -7.163 1.00 4.13 C ATOM 867 CG LYS A 57 1.231 14.828 -5.931 1.00 0.00 C ATOM 868 CD LYS A 57 2.137 15.204 -4.771 1.00 45.31 C ATOM 869 CE LYS A 57 2.421 14.009 -3.874 1.00 74.34 C ATOM 870 NZ LYS A 57 3.485 13.133 -4.438 1.00 31.43 N ATOM 0 H LYS A 57 0.306 13.719 -8.160 1.00 44.13 H new ATOM 0 HA LYS A 57 -0.409 16.476 -7.644 1.00 64.34 H new ATOM 0 HB2 LYS A 57 2.351 15.216 -7.711 1.00 4.13 H new ATOM 0 HB3 LYS A 57 1.852 16.657 -6.848 1.00 4.13 H new ATOM 0 HG2 LYS A 57 0.190 14.961 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.362 13.772 -6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.076 15.602 -5.156 1.00 45.31 H new ATOM 0 HD3 LYS A 57 1.670 15.996 -4.186 1.00 45.31 H new ATOM 0 HE2 LYS A 57 2.724 14.359 -2.887 1.00 74.34 H new ATOM 0 HE3 LYS A 57 1.507 13.430 -3.740 1.00 74.34 H new ATOM 0 HZ1 LYS A 57 3.649 12.330 -3.798 1.00 31.43 H new ATOM 0 HZ2 LYS A 57 3.185 12.778 -5.368 1.00 31.43 H new ATOM 0 HZ3 LYS A 57 4.364 13.678 -4.542 1.00 31.43 H new ATOM 884 N GLY A 58 0.043 17.447 -9.876 1.00 71.43 N ATOM 885 CA GLY A 58 0.383 18.109 -11.122 1.00 2.22 C ATOM 886 C GLY A 58 -0.796 18.204 -12.069 1.00 72.23 C ATOM 887 O GLY A 58 -0.664 18.698 -13.188 1.00 44.52 O ATOM 0 H GLY A 58 -0.780 17.821 -9.403 1.00 71.43 H new ATOM 0 HA2 GLY A 58 0.754 19.111 -10.908 1.00 2.22 H new ATOM 0 HA3 GLY A 58 1.193 17.566 -11.609 1.00 2.22 H new ATOM 891 N MET A 59 -1.953 17.727 -11.621 1.00 61.12 N ATOM 892 CA MET A 59 -3.160 17.760 -12.438 1.00 75.21 C ATOM 893 C MET A 59 -4.147 18.795 -11.908 1.00 14.01 C ATOM 894 O MET A 59 -5.246 18.949 -12.441 1.00 62.32 O ATOM 895 CB MET A 59 -3.819 16.379 -12.469 1.00 1.22 C ATOM 896 CG MET A 59 -2.980 15.321 -13.168 1.00 14.41 C ATOM 897 SD MET A 59 -3.313 15.229 -14.938 1.00 1.34 S ATOM 898 CE MET A 59 -4.264 13.714 -15.025 1.00 15.41 C ATOM 0 H MET A 59 -2.080 17.313 -10.697 1.00 61.12 H new ATOM 0 HA MET A 59 -2.875 18.041 -13.452 1.00 75.21 H new ATOM 0 HB2 MET A 59 -4.017 16.057 -11.447 1.00 1.22 H new ATOM 0 HB3 MET A 59 -4.783 16.457 -12.971 1.00 1.22 H new ATOM 0 HG2 MET A 59 -1.923 15.539 -13.012 1.00 14.41 H new ATOM 0 HG3 MET A 59 -3.176 14.349 -12.714 1.00 14.41 H new ATOM 0 HE1 MET A 59 -4.545 13.520 -16.060 1.00 15.41 H new ATOM 0 HE2 MET A 59 -3.663 12.885 -14.651 1.00 15.41 H new ATOM 0 HE3 MET A 59 -5.163 13.813 -14.417 1.00 15.41 H new ATOM 908 N MET A 60 -3.748 19.502 -10.856 1.00 35.25 N ATOM 909 CA MET A 60 -4.599 20.523 -10.255 1.00 4.04 C ATOM 910 C MET A 60 -3.795 21.778 -9.931 1.00 43.45 C ATOM 911 O MET A 60 -2.646 21.918 -10.353 1.00 34.22 O ATOM 912 CB MET A 60 -5.258 19.985 -8.984 1.00 33.55 C ATOM 913 CG MET A 60 -5.979 18.662 -9.187 1.00 31.24 C ATOM 914 SD MET A 60 -7.604 18.865 -9.940 1.00 54.05 S ATOM 915 CE MET A 60 -7.863 17.233 -10.632 1.00 52.21 C ATOM 0 H MET A 60 -2.842 19.387 -10.402 1.00 35.25 H new ATOM 0 HA MET A 60 -5.374 20.784 -10.975 1.00 4.04 H new ATOM 0 HB2 MET A 60 -4.496 19.860 -8.214 1.00 33.55 H new ATOM 0 HB3 MET A 60 -5.968 20.723 -8.612 1.00 33.55 H new ATOM 0 HG2 MET A 60 -5.370 18.014 -9.816 1.00 31.24 H new ATOM 0 HG3 MET A 60 -6.089 18.161 -8.225 1.00 31.24 H new ATOM 0 HE1 MET A 60 -8.883 17.155 -11.008 1.00 52.21 H new ATOM 0 HE2 MET A 60 -7.161 17.069 -11.450 1.00 52.21 H new ATOM 0 HE3 MET A 60 -7.702 16.481 -9.860 1.00 52.21 H new ATOM 925 N VAL A 61 -4.405 22.690 -9.182 1.00 15.34 N ATOM 926 CA VAL A 61 -3.746 23.934 -8.802 1.00 31.15 C ATOM 927 C VAL A 61 -3.095 23.813 -7.428 1.00 43.24 C ATOM 928 O VAL A 61 -3.433 22.926 -6.644 1.00 43.41 O ATOM 929 CB VAL A 61 -4.737 25.113 -8.786 1.00 33.35 C ATOM 930 CG1 VAL A 61 -5.446 25.233 -10.126 1.00 44.23 C ATOM 931 CG2 VAL A 61 -5.742 24.948 -7.655 1.00 51.03 C ATOM 0 H VAL A 61 -5.356 22.591 -8.826 1.00 15.34 H new ATOM 0 HA VAL A 61 -2.977 24.126 -9.550 1.00 31.15 H new ATOM 0 HB VAL A 61 -4.178 26.033 -8.614 1.00 33.35 H new ATOM 0 HG11 VAL A 61 -6.142 26.071 -10.096 1.00 44.23 H new ATOM 0 HG12 VAL A 61 -4.711 25.400 -10.913 1.00 44.23 H new ATOM 0 HG13 VAL A 61 -5.994 24.314 -10.331 1.00 44.23 H new ATOM 0 HG21 VAL A 61 -6.435 25.790 -7.658 1.00 51.03 H new ATOM 0 HG22 VAL A 61 -6.297 24.020 -7.794 1.00 51.03 H new ATOM 0 HG23 VAL A 61 -5.215 24.916 -6.702 1.00 51.03 H new ATOM 941 N LYS A 62 -2.158 24.712 -7.143 1.00 33.40 N ATOM 942 CA LYS A 62 -1.459 24.709 -5.863 1.00 71.45 C ATOM 943 C LYS A 62 -2.449 24.690 -4.703 1.00 3.52 C ATOM 944 O LYS A 62 -2.450 23.783 -3.871 1.00 3.14 O ATOM 945 CB LYS A 62 -0.550 25.934 -5.753 1.00 4.40 C ATOM 946 CG LYS A 62 -0.381 26.440 -4.331 1.00 1.41 C ATOM 947 CD LYS A 62 0.771 27.425 -4.222 1.00 42.24 C ATOM 948 CE LYS A 62 0.922 27.952 -2.804 1.00 2.24 C ATOM 949 NZ LYS A 62 1.388 26.894 -1.865 1.00 73.44 N ATOM 0 H LYS A 62 -1.865 25.452 -7.781 1.00 33.40 H new ATOM 0 HA LYS A 62 -0.850 23.807 -5.811 1.00 71.45 H new ATOM 0 HB2 LYS A 62 0.430 25.686 -6.161 1.00 4.40 H new ATOM 0 HB3 LYS A 62 -0.958 26.735 -6.369 1.00 4.40 H new ATOM 0 HG2 LYS A 62 -1.303 26.920 -4.003 1.00 1.41 H new ATOM 0 HG3 LYS A 62 -0.205 25.597 -3.663 1.00 1.41 H new ATOM 0 HD2 LYS A 62 1.697 26.939 -4.531 1.00 42.24 H new ATOM 0 HD3 LYS A 62 0.605 28.258 -4.905 1.00 42.24 H new ATOM 0 HE2 LYS A 62 1.630 28.780 -2.798 1.00 2.24 H new ATOM 0 HE3 LYS A 62 -0.034 28.347 -2.460 1.00 2.24 H new ATOM 0 HZ1 LYS A 62 1.608 27.321 -0.943 1.00 73.44 H new ATOM 0 HZ2 LYS A 62 0.640 26.181 -1.747 1.00 73.44 H new ATOM 0 HZ3 LYS A 62 2.242 26.440 -2.249 1.00 73.44 H new ATOM 963 N PRO A 63 -3.313 25.715 -4.644 1.00 64.25 N ATOM 964 CA PRO A 63 -4.325 25.838 -3.591 1.00 64.21 C ATOM 965 C PRO A 63 -5.425 24.789 -3.719 1.00 4.53 C ATOM 966 O PRO A 63 -6.611 25.105 -3.625 1.00 41.44 O ATOM 967 CB PRO A 63 -4.895 27.241 -3.810 1.00 14.22 C ATOM 968 CG PRO A 63 -4.654 27.528 -5.252 1.00 31.14 C ATOM 969 CD PRO A 63 -3.368 26.831 -5.603 1.00 14.53 C ATOM 0 HA PRO A 63 -3.902 25.685 -2.598 1.00 64.21 H new ATOM 0 HB2 PRO A 63 -5.958 27.278 -3.571 1.00 14.22 H new ATOM 0 HB3 PRO A 63 -4.400 27.973 -3.173 1.00 14.22 H new ATOM 0 HG2 PRO A 63 -5.477 27.161 -5.866 1.00 31.14 H new ATOM 0 HG3 PRO A 63 -4.578 28.601 -5.429 1.00 31.14 H new ATOM 0 HD2 PRO A 63 -3.372 26.476 -6.633 1.00 14.53 H new ATOM 0 HD3 PRO A 63 -2.510 27.494 -5.498 1.00 14.53 H new ATOM 977 N PHE A 64 -5.024 23.541 -3.932 1.00 65.31 N ATOM 978 CA PHE A 64 -5.976 22.445 -4.073 1.00 1.40 C ATOM 979 C PHE A 64 -5.273 21.096 -3.963 1.00 23.30 C ATOM 980 O PHE A 64 -5.577 20.296 -3.078 1.00 51.44 O ATOM 981 CB PHE A 64 -6.706 22.545 -5.414 1.00 44.22 C ATOM 982 CG PHE A 64 -7.627 21.390 -5.683 1.00 13.03 C ATOM 983 CD1 PHE A 64 -7.145 20.217 -6.240 1.00 23.45 C ATOM 984 CD2 PHE A 64 -8.976 21.477 -5.378 1.00 0.34 C ATOM 985 CE1 PHE A 64 -7.991 19.153 -6.488 1.00 60.42 C ATOM 986 CE2 PHE A 64 -9.827 20.416 -5.624 1.00 0.33 C ATOM 987 CZ PHE A 64 -9.333 19.252 -6.179 1.00 14.02 C ATOM 0 H PHE A 64 -4.046 23.263 -4.011 1.00 65.31 H new ATOM 0 HA PHE A 64 -6.703 22.522 -3.265 1.00 1.40 H new ATOM 0 HB2 PHE A 64 -7.281 23.471 -5.437 1.00 44.22 H new ATOM 0 HB3 PHE A 64 -5.970 22.607 -6.216 1.00 44.22 H new ATOM 0 HD1 PHE A 64 -6.096 20.133 -6.483 1.00 23.45 H new ATOM 0 HD2 PHE A 64 -9.367 22.385 -4.943 1.00 0.34 H new ATOM 0 HE1 PHE A 64 -7.603 18.244 -6.923 1.00 60.42 H new ATOM 0 HE2 PHE A 64 -10.877 20.497 -5.383 1.00 0.33 H new ATOM 0 HZ PHE A 64 -9.995 18.421 -6.371 1.00 14.02 H new ATOM 997 N GLU A 65 -4.331 20.850 -4.869 1.00 12.01 N ATOM 998 CA GLU A 65 -3.586 19.597 -4.874 1.00 61.34 C ATOM 999 C GLU A 65 -2.934 19.346 -3.518 1.00 24.31 C ATOM 1000 O GLU A 65 -2.911 18.217 -3.027 1.00 72.33 O ATOM 1001 CB GLU A 65 -2.518 19.618 -5.970 1.00 20.50 C ATOM 1002 CG GLU A 65 -1.533 18.464 -5.882 1.00 72.31 C ATOM 1003 CD GLU A 65 -0.223 18.863 -5.231 1.00 13.11 C ATOM 1004 OE1 GLU A 65 -0.207 19.882 -4.509 1.00 42.43 O ATOM 1005 OE2 GLU A 65 0.785 18.157 -5.443 1.00 13.42 O ATOM 0 H GLU A 65 -4.066 21.501 -5.608 1.00 12.01 H new ATOM 0 HA GLU A 65 -4.288 18.787 -5.075 1.00 61.34 H new ATOM 0 HB2 GLU A 65 -3.008 19.593 -6.943 1.00 20.50 H new ATOM 0 HB3 GLU A 65 -1.969 20.558 -5.913 1.00 20.50 H new ATOM 0 HG2 GLU A 65 -1.983 17.650 -5.314 1.00 72.31 H new ATOM 0 HG3 GLU A 65 -1.335 18.083 -6.884 1.00 72.31 H new ATOM 1012 N ASP A 66 -2.404 20.406 -2.918 1.00 24.32 N ATOM 1013 CA ASP A 66 -1.751 20.302 -1.618 1.00 20.31 C ATOM 1014 C ASP A 66 -2.670 19.633 -0.600 1.00 51.33 C ATOM 1015 O ASP A 66 -2.322 18.609 -0.014 1.00 75.53 O ATOM 1016 CB ASP A 66 -1.338 21.687 -1.118 1.00 53.12 C ATOM 1017 CG ASP A 66 -0.737 21.646 0.273 1.00 35.41 C ATOM 1018 OD1 ASP A 66 0.313 20.992 0.447 1.00 14.00 O ATOM 1019 OD2 ASP A 66 -1.317 22.267 1.188 1.00 42.32 O ATOM 0 H ASP A 66 -2.414 21.347 -3.311 1.00 24.32 H new ATOM 0 HA ASP A 66 -0.859 19.686 -1.735 1.00 20.31 H new ATOM 0 HB2 ASP A 66 -0.615 22.119 -1.810 1.00 53.12 H new ATOM 0 HB3 ASP A 66 -2.208 22.343 -1.115 1.00 53.12 H new ATOM 1024 N ALA A 67 -3.844 20.221 -0.395 1.00 0.52 N ATOM 1025 CA ALA A 67 -4.813 19.683 0.551 1.00 33.51 C ATOM 1026 C ALA A 67 -5.826 18.785 -0.152 1.00 40.11 C ATOM 1027 O ALA A 67 -6.983 18.699 0.258 1.00 20.21 O ATOM 1028 CB ALA A 67 -5.524 20.813 1.280 1.00 1.13 C ATOM 0 H ALA A 67 -4.147 21.070 -0.872 1.00 0.52 H new ATOM 0 HA ALA A 67 -4.274 19.078 1.280 1.00 33.51 H new ATOM 0 HB1 ALA A 67 -6.245 20.396 1.983 1.00 1.13 H new ATOM 0 HB2 ALA A 67 -4.793 21.413 1.823 1.00 1.13 H new ATOM 0 HB3 ALA A 67 -6.044 21.442 0.557 1.00 1.13 H new ATOM 1034 N ALA A 68 -5.383 18.119 -1.214 1.00 0.35 N ATOM 1035 CA ALA A 68 -6.251 17.227 -1.973 1.00 2.43 C ATOM 1036 C ALA A 68 -5.983 15.769 -1.619 1.00 32.53 C ATOM 1037 O ALA A 68 -6.844 14.907 -1.800 1.00 12.32 O ATOM 1038 CB ALA A 68 -6.063 17.453 -3.466 1.00 13.34 C ATOM 0 H ALA A 68 -4.428 18.181 -1.568 1.00 0.35 H new ATOM 0 HA ALA A 68 -7.284 17.454 -1.709 1.00 2.43 H new ATOM 0 HB1 ALA A 68 -6.717 16.780 -4.021 1.00 13.34 H new ATOM 0 HB2 ALA A 68 -6.311 18.485 -3.712 1.00 13.34 H new ATOM 0 HB3 ALA A 68 -5.026 17.255 -3.736 1.00 13.34 H new ATOM 1044 N PHE A 69 -4.784 15.497 -1.114 1.00 13.33 N ATOM 1045 CA PHE A 69 -4.403 14.142 -0.736 1.00 23.51 C ATOM 1046 C PHE A 69 -4.026 14.074 0.741 1.00 14.14 C ATOM 1047 O PHE A 69 -3.806 12.994 1.290 1.00 74.15 O ATOM 1048 CB PHE A 69 -3.231 13.661 -1.595 1.00 32.43 C ATOM 1049 CG PHE A 69 -2.171 14.704 -1.800 1.00 44.13 C ATOM 1050 CD1 PHE A 69 -1.481 15.232 -0.721 1.00 24.33 C ATOM 1051 CD2 PHE A 69 -1.863 15.157 -3.073 1.00 53.11 C ATOM 1052 CE1 PHE A 69 -0.505 16.193 -0.907 1.00 61.53 C ATOM 1053 CE2 PHE A 69 -0.888 16.118 -3.266 1.00 32.41 C ATOM 1054 CZ PHE A 69 -0.207 16.635 -2.181 1.00 54.14 C ATOM 0 H PHE A 69 -4.060 16.198 -0.957 1.00 13.33 H new ATOM 0 HA PHE A 69 -5.260 13.490 -0.904 1.00 23.51 H new ATOM 0 HB2 PHE A 69 -2.782 12.786 -1.126 1.00 32.43 H new ATOM 0 HB3 PHE A 69 -3.609 13.343 -2.567 1.00 32.43 H new ATOM 0 HD1 PHE A 69 -1.708 14.889 0.277 1.00 24.33 H new ATOM 0 HD2 PHE A 69 -2.391 14.754 -3.925 1.00 53.11 H new ATOM 0 HE1 PHE A 69 0.024 16.598 -0.057 1.00 61.53 H new ATOM 0 HE2 PHE A 69 -0.659 16.464 -4.263 1.00 32.41 H new ATOM 0 HZ PHE A 69 0.557 17.384 -2.329 1.00 54.14 H new ATOM 1064 N LYS A 70 -3.954 15.237 1.381 1.00 64.43 N ATOM 1065 CA LYS A 70 -3.605 15.312 2.794 1.00 2.34 C ATOM 1066 C LYS A 70 -4.760 14.830 3.666 1.00 3.14 C ATOM 1067 O LYS A 70 -4.589 14.587 4.862 1.00 61.43 O ATOM 1068 CB LYS A 70 -3.231 16.747 3.172 1.00 0.45 C ATOM 1069 CG LYS A 70 -1.899 17.200 2.600 1.00 23.33 C ATOM 1070 CD LYS A 70 -1.682 18.690 2.803 1.00 22.11 C ATOM 1071 CE LYS A 70 -1.699 19.060 4.278 1.00 25.14 C ATOM 1072 NZ LYS A 70 -0.595 18.398 5.029 1.00 53.44 N ATOM 0 H LYS A 70 -4.133 16.140 0.943 1.00 64.43 H new ATOM 0 HA LYS A 70 -2.747 14.662 2.966 1.00 2.34 H new ATOM 0 HB2 LYS A 70 -4.014 17.421 2.824 1.00 0.45 H new ATOM 0 HB3 LYS A 70 -3.197 16.831 4.258 1.00 0.45 H new ATOM 0 HG2 LYS A 70 -1.090 16.646 3.076 1.00 23.33 H new ATOM 0 HG3 LYS A 70 -1.861 16.968 1.536 1.00 23.33 H new ATOM 0 HD2 LYS A 70 -0.728 18.983 2.364 1.00 22.11 H new ATOM 0 HD3 LYS A 70 -2.458 19.247 2.278 1.00 22.11 H new ATOM 0 HE2 LYS A 70 -1.612 20.141 4.382 1.00 25.14 H new ATOM 0 HE3 LYS A 70 -2.657 18.774 4.713 1.00 25.14 H new ATOM 0 HZ1 LYS A 70 -0.546 18.790 5.991 1.00 53.44 H new ATOM 0 HZ2 LYS A 70 -0.775 17.375 5.081 1.00 53.44 H new ATOM 0 HZ3 LYS A 70 0.307 18.567 4.540 1.00 53.44 H new ATOM 1086 N LEU A 71 -5.934 14.693 3.061 1.00 33.24 N ATOM 1087 CA LEU A 71 -7.118 14.238 3.783 1.00 61.43 C ATOM 1088 C LEU A 71 -7.079 12.728 3.995 1.00 23.34 C ATOM 1089 O LEU A 71 -6.222 12.037 3.446 1.00 63.53 O ATOM 1090 CB LEU A 71 -8.385 14.624 3.018 1.00 72.31 C ATOM 1091 CG LEU A 71 -8.400 16.025 2.407 1.00 45.23 C ATOM 1092 CD1 LEU A 71 -9.482 16.133 1.344 1.00 12.12 C ATOM 1093 CD2 LEU A 71 -8.604 17.077 3.488 1.00 60.53 C ATOM 0 H LEU A 71 -6.092 14.890 2.073 1.00 33.24 H new ATOM 0 HA LEU A 71 -7.128 14.724 4.759 1.00 61.43 H new ATOM 0 HB2 LEU A 71 -8.537 13.899 2.218 1.00 72.31 H new ATOM 0 HB3 LEU A 71 -9.235 14.535 3.695 1.00 72.31 H new ATOM 0 HG LEU A 71 -7.435 16.203 1.933 1.00 45.23 H new ATOM 0 HD11 LEU A 71 -9.477 17.137 0.921 1.00 12.12 H new ATOM 0 HD12 LEU A 71 -9.291 15.406 0.555 1.00 12.12 H new ATOM 0 HD13 LEU A 71 -10.455 15.933 1.793 1.00 12.12 H new ATOM 0 HD21 LEU A 71 -8.612 18.068 3.034 1.00 60.53 H new ATOM 0 HD22 LEU A 71 -9.554 16.901 3.992 1.00 60.53 H new ATOM 0 HD23 LEU A 71 -7.792 17.016 4.213 1.00 60.53 H new ATOM 1105 N GLN A 72 -8.013 12.224 4.795 1.00 73.53 N ATOM 1106 CA GLN A 72 -8.086 10.795 5.078 1.00 1.12 C ATOM 1107 C GLN A 72 -9.136 10.119 4.203 1.00 15.14 C ATOM 1108 O GLN A 72 -9.858 10.782 3.458 1.00 33.31 O ATOM 1109 CB GLN A 72 -8.409 10.563 6.555 1.00 24.43 C ATOM 1110 CG GLN A 72 -7.627 9.416 7.176 1.00 44.13 C ATOM 1111 CD GLN A 72 -7.812 9.329 8.678 1.00 72.32 C ATOM 1112 OE1 GLN A 72 -8.929 9.437 9.184 1.00 13.33 O ATOM 1113 NE2 GLN A 72 -6.715 9.131 9.400 1.00 53.14 N ATOM 0 H GLN A 72 -8.729 12.783 5.258 1.00 73.53 H new ATOM 0 HA GLN A 72 -7.115 10.355 4.852 1.00 1.12 H new ATOM 0 HB2 GLN A 72 -8.201 11.477 7.112 1.00 24.43 H new ATOM 0 HB3 GLN A 72 -9.475 10.362 6.658 1.00 24.43 H new ATOM 0 HG2 GLN A 72 -7.942 8.478 6.720 1.00 44.13 H new ATOM 0 HG3 GLN A 72 -6.568 9.540 6.951 1.00 44.13 H new ATOM 0 HE21 GLN A 72 -5.809 9.047 8.939 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -6.778 9.063 10.416 1.00 53.14 H new ATOM 1122 N VAL A 73 -9.217 8.796 4.299 1.00 23.31 N ATOM 1123 CA VAL A 73 -10.180 8.030 3.517 1.00 24.40 C ATOM 1124 C VAL A 73 -11.610 8.406 3.886 1.00 73.33 C ATOM 1125 O VAL A 73 -12.176 7.876 4.841 1.00 72.52 O ATOM 1126 CB VAL A 73 -9.990 6.515 3.721 1.00 62.21 C ATOM 1127 CG1 VAL A 73 -10.878 5.732 2.766 1.00 62.12 C ATOM 1128 CG2 VAL A 73 -8.529 6.132 3.539 1.00 41.05 C ATOM 0 H VAL A 73 -8.627 8.232 4.911 1.00 23.31 H new ATOM 0 HA VAL A 73 -10.002 8.273 2.469 1.00 24.40 H new ATOM 0 HB VAL A 73 -10.283 6.264 4.740 1.00 62.21 H new ATOM 0 HG11 VAL A 73 -10.730 4.664 2.925 1.00 62.12 H new ATOM 0 HG12 VAL A 73 -11.922 5.985 2.950 1.00 62.12 H new ATOM 0 HG13 VAL A 73 -10.619 5.985 1.738 1.00 62.12 H new ATOM 0 HG21 VAL A 73 -8.413 5.058 3.687 1.00 41.05 H new ATOM 0 HG22 VAL A 73 -8.206 6.397 2.532 1.00 41.05 H new ATOM 0 HG23 VAL A 73 -7.919 6.666 4.268 1.00 41.05 H new ATOM 1138 N GLY A 74 -12.191 9.325 3.120 1.00 1.14 N ATOM 1139 CA GLY A 74 -13.551 9.757 3.382 1.00 35.32 C ATOM 1140 C GLY A 74 -13.608 11.017 4.223 1.00 74.13 C ATOM 1141 O GLY A 74 -14.605 11.276 4.896 1.00 1.04 O ATOM 0 H GLY A 74 -11.744 9.778 2.323 1.00 1.14 H new ATOM 0 HA2 GLY A 74 -14.062 9.933 2.435 1.00 35.32 H new ATOM 0 HA3 GLY A 74 -14.090 8.959 3.892 1.00 35.32 H new ATOM 1145 N GLU A 75 -12.536 11.801 4.184 1.00 3.12 N ATOM 1146 CA GLU A 75 -12.468 13.040 4.951 1.00 61.32 C ATOM 1147 C GLU A 75 -12.629 14.253 4.040 1.00 42.14 C ATOM 1148 O GLU A 75 -12.140 14.264 2.910 1.00 51.23 O ATOM 1149 CB GLU A 75 -11.139 13.127 5.705 1.00 72.24 C ATOM 1150 CG GLU A 75 -11.300 13.376 7.195 1.00 40.33 C ATOM 1151 CD GLU A 75 -10.005 13.190 7.961 1.00 45.04 C ATOM 1152 OE1 GLU A 75 -9.129 14.076 7.868 1.00 22.30 O ATOM 1153 OE2 GLU A 75 -9.866 12.159 8.652 1.00 51.43 O ATOM 0 H GLU A 75 -11.703 11.601 3.630 1.00 3.12 H new ATOM 0 HA GLU A 75 -13.286 13.037 5.671 1.00 61.32 H new ATOM 0 HB2 GLU A 75 -10.586 12.199 5.558 1.00 72.24 H new ATOM 0 HB3 GLU A 75 -10.538 13.928 5.274 1.00 72.24 H new ATOM 0 HG2 GLU A 75 -11.668 14.390 7.352 1.00 40.33 H new ATOM 0 HG3 GLU A 75 -12.054 12.697 7.594 1.00 40.33 H new ATOM 1160 N VAL A 76 -13.318 15.274 4.539 1.00 33.23 N ATOM 1161 CA VAL A 76 -13.544 16.493 3.772 1.00 60.32 C ATOM 1162 C VAL A 76 -12.508 17.558 4.114 1.00 31.52 C ATOM 1163 O VAL A 76 -12.131 17.721 5.275 1.00 52.25 O ATOM 1164 CB VAL A 76 -14.953 17.062 4.025 1.00 44.44 C ATOM 1165 CG1 VAL A 76 -15.159 18.346 3.235 1.00 73.11 C ATOM 1166 CG2 VAL A 76 -16.015 16.032 3.671 1.00 3.32 C ATOM 0 H VAL A 76 -13.730 15.281 5.472 1.00 33.23 H new ATOM 0 HA VAL A 76 -13.452 16.226 2.719 1.00 60.32 H new ATOM 0 HB VAL A 76 -15.047 17.296 5.085 1.00 44.44 H new ATOM 0 HG11 VAL A 76 -16.160 18.734 3.426 1.00 73.11 H new ATOM 0 HG12 VAL A 76 -14.419 19.085 3.542 1.00 73.11 H new ATOM 0 HG13 VAL A 76 -15.046 18.140 2.171 1.00 73.11 H new ATOM 0 HG21 VAL A 76 -17.004 16.451 3.856 1.00 3.32 H new ATOM 0 HG22 VAL A 76 -15.925 15.764 2.618 1.00 3.32 H new ATOM 0 HG23 VAL A 76 -15.877 15.142 4.285 1.00 3.32 H new ATOM 1176 N SER A 77 -12.052 18.280 3.096 1.00 5.13 N ATOM 1177 CA SER A 77 -11.056 19.328 3.289 1.00 41.04 C ATOM 1178 C SER A 77 -11.725 20.662 3.604 1.00 15.10 C ATOM 1179 O SER A 77 -12.911 20.853 3.333 1.00 24.45 O ATOM 1180 CB SER A 77 -10.182 19.466 2.041 1.00 61.35 C ATOM 1181 OG SER A 77 -10.545 20.609 1.287 1.00 53.41 O ATOM 0 H SER A 77 -12.356 18.159 2.130 1.00 5.13 H new ATOM 0 HA SER A 77 -10.428 19.047 4.135 1.00 41.04 H new ATOM 0 HB2 SER A 77 -9.134 19.537 2.333 1.00 61.35 H new ATOM 0 HB3 SER A 77 -10.281 18.573 1.424 1.00 61.35 H new ATOM 0 HG SER A 77 -9.777 21.214 1.220 1.00 53.41 H new ATOM 1187 N GLU A 78 -10.956 21.582 4.178 1.00 14.01 N ATOM 1188 CA GLU A 78 -11.475 22.898 4.531 1.00 12.24 C ATOM 1189 C GLU A 78 -11.723 23.739 3.282 1.00 34.51 C ATOM 1190 O GLU A 78 -11.215 23.450 2.198 1.00 0.54 O ATOM 1191 CB GLU A 78 -10.500 23.623 5.461 1.00 25.32 C ATOM 1192 CG GLU A 78 -10.775 23.386 6.937 1.00 61.25 C ATOM 1193 CD GLU A 78 -11.083 24.668 7.686 1.00 71.43 C ATOM 1194 OE1 GLU A 78 -10.328 25.648 7.520 1.00 11.35 O ATOM 1195 OE2 GLU A 78 -12.080 24.689 8.437 1.00 14.54 O ATOM 0 H GLU A 78 -9.972 21.440 4.408 1.00 14.01 H new ATOM 0 HA GLU A 78 -12.424 22.758 5.048 1.00 12.24 H new ATOM 0 HB2 GLU A 78 -9.485 23.299 5.233 1.00 25.32 H new ATOM 0 HB3 GLU A 78 -10.546 24.693 5.259 1.00 25.32 H new ATOM 0 HG2 GLU A 78 -11.614 22.698 7.041 1.00 61.25 H new ATOM 0 HG3 GLU A 78 -9.910 22.903 7.391 1.00 61.25 H new ATOM 1202 N PRO A 79 -12.525 24.803 3.435 1.00 3.22 N ATOM 1203 CA PRO A 79 -12.859 25.708 2.331 1.00 33.50 C ATOM 1204 C PRO A 79 -11.666 26.547 1.887 1.00 21.40 C ATOM 1205 O PRO A 79 -11.491 27.680 2.335 1.00 13.13 O ATOM 1206 CB PRO A 79 -13.951 26.602 2.924 1.00 40.05 C ATOM 1207 CG PRO A 79 -13.706 26.576 4.393 1.00 51.02 C ATOM 1208 CD PRO A 79 -13.165 25.207 4.698 1.00 33.53 C ATOM 0 HA PRO A 79 -13.171 25.165 1.439 1.00 33.50 H new ATOM 0 HB2 PRO A 79 -13.889 27.617 2.530 1.00 40.05 H new ATOM 0 HB3 PRO A 79 -14.945 26.226 2.682 1.00 40.05 H new ATOM 0 HG2 PRO A 79 -12.996 27.350 4.684 1.00 51.02 H new ATOM 0 HG3 PRO A 79 -14.627 26.764 4.946 1.00 51.02 H new ATOM 0 HD2 PRO A 79 -12.450 25.232 5.521 1.00 33.53 H new ATOM 0 HD3 PRO A 79 -13.958 24.517 4.985 1.00 33.53 H new ATOM 1216 N ILE A 80 -10.848 25.983 1.004 1.00 13.21 N ATOM 1217 CA ILE A 80 -9.672 26.681 0.499 1.00 55.01 C ATOM 1218 C ILE A 80 -10.061 27.745 -0.522 1.00 71.33 C ATOM 1219 O ILE A 80 -10.496 27.429 -1.630 1.00 33.22 O ATOM 1220 CB ILE A 80 -8.673 25.704 -0.149 1.00 13.31 C ATOM 1221 CG1 ILE A 80 -8.430 24.506 0.770 1.00 24.42 C ATOM 1222 CG2 ILE A 80 -7.364 26.415 -0.460 1.00 74.32 C ATOM 1223 CD1 ILE A 80 -7.761 24.872 2.077 1.00 60.13 C ATOM 0 H ILE A 80 -10.978 25.045 0.624 1.00 13.21 H new ATOM 0 HA ILE A 80 -9.196 27.159 1.355 1.00 55.01 H new ATOM 0 HB ILE A 80 -9.097 25.340 -1.085 1.00 13.31 H new ATOM 0 HG12 ILE A 80 -9.383 24.022 0.982 1.00 24.42 H new ATOM 0 HG13 ILE A 80 -7.812 23.777 0.247 1.00 24.42 H new ATOM 0 HG21 ILE A 80 -6.668 25.712 -0.918 1.00 74.32 H new ATOM 0 HG22 ILE A 80 -7.552 27.239 -1.148 1.00 74.32 H new ATOM 0 HG23 ILE A 80 -6.933 26.804 0.463 1.00 74.32 H new ATOM 0 HD11 ILE A 80 -7.620 23.973 2.678 1.00 60.13 H new ATOM 0 HD12 ILE A 80 -6.792 25.329 1.874 1.00 60.13 H new ATOM 0 HD13 ILE A 80 -8.388 25.578 2.622 1.00 60.13 H new ATOM 1235 N LYS A 81 -9.899 29.008 -0.143 1.00 75.12 N ATOM 1236 CA LYS A 81 -10.230 30.120 -1.026 1.00 1.41 C ATOM 1237 C LYS A 81 -9.178 30.278 -2.120 1.00 14.15 C ATOM 1238 O LYS A 81 -8.024 30.605 -1.842 1.00 35.31 O ATOM 1239 CB LYS A 81 -10.345 31.418 -0.223 1.00 41.33 C ATOM 1240 CG LYS A 81 -10.839 32.598 -1.042 1.00 53.13 C ATOM 1241 CD LYS A 81 -12.207 33.067 -0.575 1.00 72.14 C ATOM 1242 CE LYS A 81 -12.776 34.134 -1.499 1.00 21.54 C ATOM 1243 NZ LYS A 81 -12.334 35.500 -1.106 1.00 11.24 N ATOM 0 H LYS A 81 -9.540 29.287 0.770 1.00 75.12 H new ATOM 0 HA LYS A 81 -11.189 29.905 -1.497 1.00 1.41 H new ATOM 0 HB2 LYS A 81 -11.024 31.258 0.615 1.00 41.33 H new ATOM 0 HB3 LYS A 81 -9.370 31.662 0.199 1.00 41.33 H new ATOM 0 HG2 LYS A 81 -10.126 33.419 -0.966 1.00 53.13 H new ATOM 0 HG3 LYS A 81 -10.889 32.316 -2.094 1.00 53.13 H new ATOM 0 HD2 LYS A 81 -12.889 32.218 -0.534 1.00 72.14 H new ATOM 0 HD3 LYS A 81 -12.131 33.464 0.437 1.00 72.14 H new ATOM 0 HE2 LYS A 81 -12.463 33.932 -2.523 1.00 21.54 H new ATOM 0 HE3 LYS A 81 -13.865 34.086 -1.483 1.00 21.54 H new ATOM 0 HZ1 LYS A 81 -12.743 36.198 -1.759 1.00 11.24 H new ATOM 0 HZ2 LYS A 81 -12.654 35.703 -0.138 1.00 11.24 H new ATOM 0 HZ3 LYS A 81 -11.296 35.554 -1.146 1.00 11.24 H new ATOM 1257 N SER A 82 -9.585 30.045 -3.363 1.00 52.34 N ATOM 1258 CA SER A 82 -8.677 30.159 -4.499 1.00 11.34 C ATOM 1259 C SER A 82 -9.263 31.069 -5.574 1.00 14.00 C ATOM 1260 O SER A 82 -10.315 31.678 -5.380 1.00 41.03 O ATOM 1261 CB SER A 82 -8.386 28.777 -5.087 1.00 0.42 C ATOM 1262 OG SER A 82 -8.318 27.794 -4.069 1.00 32.22 O ATOM 0 H SER A 82 -10.537 29.776 -3.610 1.00 52.34 H new ATOM 0 HA SER A 82 -7.745 30.599 -4.145 1.00 11.34 H new ATOM 0 HB2 SER A 82 -9.165 28.511 -5.802 1.00 0.42 H new ATOM 0 HB3 SER A 82 -7.445 28.803 -5.636 1.00 0.42 H new ATOM 0 HG SER A 82 -8.994 27.104 -4.235 1.00 32.22 H new ATOM 1268 N GLU A 83 -8.574 31.155 -6.708 1.00 13.14 N ATOM 1269 CA GLU A 83 -9.026 31.991 -7.814 1.00 31.13 C ATOM 1270 C GLU A 83 -10.427 31.587 -8.264 1.00 62.44 C ATOM 1271 O GLU A 83 -11.186 32.407 -8.780 1.00 52.11 O ATOM 1272 CB GLU A 83 -8.051 31.891 -8.989 1.00 35.30 C ATOM 1273 CG GLU A 83 -7.681 30.463 -9.353 1.00 32.45 C ATOM 1274 CD GLU A 83 -6.882 30.376 -10.638 1.00 42.42 C ATOM 1275 OE1 GLU A 83 -7.297 31.001 -11.637 1.00 5.31 O ATOM 1276 OE2 GLU A 83 -5.842 29.684 -10.646 1.00 14.50 O ATOM 0 H GLU A 83 -7.702 30.657 -6.885 1.00 13.14 H new ATOM 0 HA GLU A 83 -9.059 33.023 -7.466 1.00 31.13 H new ATOM 0 HB2 GLU A 83 -8.493 32.376 -9.859 1.00 35.30 H new ATOM 0 HB3 GLU A 83 -7.143 32.442 -8.744 1.00 35.30 H new ATOM 0 HG2 GLU A 83 -7.103 30.023 -8.540 1.00 32.45 H new ATOM 0 HG3 GLU A 83 -8.590 29.871 -9.454 1.00 32.45 H new ATOM 1283 N PHE A 84 -10.762 30.316 -8.067 1.00 22.15 N ATOM 1284 CA PHE A 84 -12.070 29.801 -8.454 1.00 12.15 C ATOM 1285 C PHE A 84 -13.050 29.874 -7.286 1.00 54.24 C ATOM 1286 O PHE A 84 -14.265 29.874 -7.481 1.00 12.42 O ATOM 1287 CB PHE A 84 -11.949 28.356 -8.943 1.00 1.43 C ATOM 1288 CG PHE A 84 -10.807 28.140 -9.894 1.00 72.53 C ATOM 1289 CD1 PHE A 84 -10.677 28.921 -11.031 1.00 0.33 C ATOM 1290 CD2 PHE A 84 -9.864 27.153 -9.652 1.00 54.34 C ATOM 1291 CE1 PHE A 84 -9.627 28.725 -11.908 1.00 73.32 C ATOM 1292 CE2 PHE A 84 -8.812 26.952 -10.526 1.00 14.40 C ATOM 1293 CZ PHE A 84 -8.694 27.738 -11.656 1.00 14.11 C ATOM 0 H PHE A 84 -10.145 29.624 -7.642 1.00 22.15 H new ATOM 0 HA PHE A 84 -12.451 30.421 -9.265 1.00 12.15 H new ATOM 0 HB2 PHE A 84 -11.824 27.699 -8.082 1.00 1.43 H new ATOM 0 HB3 PHE A 84 -12.879 28.067 -9.433 1.00 1.43 H new ATOM 0 HD1 PHE A 84 -11.405 29.692 -11.234 1.00 0.33 H new ATOM 0 HD2 PHE A 84 -9.952 26.534 -8.771 1.00 54.34 H new ATOM 0 HE1 PHE A 84 -9.536 29.343 -12.789 1.00 73.32 H new ATOM 0 HE2 PHE A 84 -8.083 26.181 -10.326 1.00 14.40 H new ATOM 0 HZ PHE A 84 -7.874 27.581 -12.341 1.00 14.11 H new ATOM 1303 N GLY A 85 -12.512 29.936 -6.072 1.00 71.41 N ATOM 1304 CA GLY A 85 -13.352 30.007 -4.891 1.00 14.30 C ATOM 1305 C GLY A 85 -12.994 28.956 -3.860 1.00 5.25 C ATOM 1306 O GLY A 85 -11.878 28.435 -3.856 1.00 1.30 O ATOM 0 H GLY A 85 -11.509 29.938 -5.885 1.00 71.41 H new ATOM 0 HA2 GLY A 85 -13.261 30.997 -4.443 1.00 14.30 H new ATOM 0 HA3 GLY A 85 -14.395 29.884 -5.183 1.00 14.30 H new ATOM 1310 N TYR A 86 -13.940 28.645 -2.981 1.00 61.51 N ATOM 1311 CA TYR A 86 -13.717 27.652 -1.937 1.00 25.40 C ATOM 1312 C TYR A 86 -13.728 26.240 -2.516 1.00 1.20 C ATOM 1313 O TYR A 86 -14.704 25.819 -3.138 1.00 0.33 O ATOM 1314 CB TYR A 86 -14.784 27.777 -0.848 1.00 64.12 C ATOM 1315 CG TYR A 86 -14.722 29.082 -0.088 1.00 14.23 C ATOM 1316 CD1 TYR A 86 -13.616 29.406 0.688 1.00 14.02 C ATOM 1317 CD2 TYR A 86 -15.771 29.992 -0.146 1.00 3.50 C ATOM 1318 CE1 TYR A 86 -13.557 30.597 1.385 1.00 3.12 C ATOM 1319 CE2 TYR A 86 -15.719 31.187 0.547 1.00 71.35 C ATOM 1320 CZ TYR A 86 -14.610 31.484 1.311 1.00 13.21 C ATOM 1321 OH TYR A 86 -14.554 32.673 2.003 1.00 71.52 O ATOM 0 H TYR A 86 -14.869 29.066 -2.971 1.00 61.51 H new ATOM 0 HA TYR A 86 -12.737 27.838 -1.499 1.00 25.40 H new ATOM 0 HB2 TYR A 86 -15.769 27.678 -1.303 1.00 64.12 H new ATOM 0 HB3 TYR A 86 -14.673 26.951 -0.145 1.00 64.12 H new ATOM 0 HD1 TYR A 86 -12.788 28.715 0.747 1.00 14.02 H new ATOM 0 HD2 TYR A 86 -16.641 29.762 -0.743 1.00 3.50 H new ATOM 0 HE1 TYR A 86 -12.690 30.832 1.985 1.00 3.12 H new ATOM 0 HE2 TYR A 86 -16.542 31.884 0.490 1.00 71.35 H new ATOM 0 HH TYR A 86 -15.375 33.184 1.843 1.00 71.52 H new ATOM 1331 N HIS A 87 -12.635 25.513 -2.306 1.00 72.24 N ATOM 1332 CA HIS A 87 -12.518 24.147 -2.806 1.00 13.41 C ATOM 1333 C HIS A 87 -12.793 23.137 -1.696 1.00 2.43 C ATOM 1334 O HIS A 87 -12.162 23.176 -0.639 1.00 21.11 O ATOM 1335 CB HIS A 87 -11.125 23.913 -3.391 1.00 53.41 C ATOM 1336 CG HIS A 87 -10.896 24.619 -4.692 1.00 60.12 C ATOM 1337 ND1 HIS A 87 -10.524 25.894 -4.955 1.00 14.01 N flip ATOM 1338 CD2 HIS A 87 -11.049 24.006 -5.918 1.00 32.34 C flip ATOM 1339 CE1 HIS A 87 -10.459 26.026 -6.320 1.00 31.32 C flip ATOM 1340 NE2 HIS A 87 -10.780 24.873 -6.878 1.00 12.11 N flip ATOM 0 H HIS A 87 -11.818 25.846 -1.794 1.00 72.24 H new ATOM 0 HA HIS A 87 -13.261 24.009 -3.591 1.00 13.41 H new ATOM 0 HB2 HIS A 87 -10.377 24.244 -2.671 1.00 53.41 H new ATOM 0 HB3 HIS A 87 -10.976 22.843 -3.536 1.00 53.41 H new ATOM 0 HD2 HIS A 87 -11.343 22.978 -6.070 1.00 32.34 H new ATOM 0 HE1 HIS A 87 -10.189 26.927 -6.851 1.00 31.32 H new ATOM 0 HE2 HIS A 87 -10.814 24.684 -7.880 1.00 12.11 H new ATOM 1348 N ILE A 88 -13.737 22.236 -1.943 1.00 15.34 N ATOM 1349 CA ILE A 88 -14.094 21.217 -0.964 1.00 34.21 C ATOM 1350 C ILE A 88 -13.674 19.829 -1.437 1.00 55.43 C ATOM 1351 O ILE A 88 -14.487 19.071 -1.968 1.00 11.33 O ATOM 1352 CB ILE A 88 -15.608 21.214 -0.681 1.00 33.24 C ATOM 1353 CG1 ILE A 88 -16.059 22.589 -0.185 1.00 11.32 C ATOM 1354 CG2 ILE A 88 -15.954 20.138 0.338 1.00 54.02 C ATOM 1355 CD1 ILE A 88 -15.446 22.985 1.140 1.00 5.00 C ATOM 0 H ILE A 88 -14.268 22.191 -2.812 1.00 15.34 H new ATOM 0 HA ILE A 88 -13.561 21.462 -0.045 1.00 34.21 H new ATOM 0 HB ILE A 88 -16.136 20.992 -1.609 1.00 33.24 H new ATOM 0 HG12 ILE A 88 -15.802 23.338 -0.933 1.00 11.32 H new ATOM 0 HG13 ILE A 88 -17.145 22.594 -0.089 1.00 11.32 H new ATOM 0 HG21 ILE A 88 -17.027 20.148 0.528 1.00 54.02 H new ATOM 0 HG22 ILE A 88 -15.663 19.162 -0.051 1.00 54.02 H new ATOM 0 HG23 ILE A 88 -15.419 20.332 1.268 1.00 54.02 H new ATOM 0 HD11 ILE A 88 -15.811 23.971 1.430 1.00 5.00 H new ATOM 0 HD12 ILE A 88 -15.724 22.257 1.902 1.00 5.00 H new ATOM 0 HD13 ILE A 88 -14.361 23.013 1.045 1.00 5.00 H new ATOM 1367 N ILE A 89 -12.402 19.503 -1.240 1.00 44.35 N ATOM 1368 CA ILE A 89 -11.875 18.206 -1.645 1.00 24.24 C ATOM 1369 C ILE A 89 -12.256 17.121 -0.643 1.00 11.33 C ATOM 1370 O ILE A 89 -12.101 17.295 0.566 1.00 33.23 O ATOM 1371 CB ILE A 89 -10.342 18.240 -1.788 1.00 5.54 C ATOM 1372 CG1 ILE A 89 -9.910 19.474 -2.584 1.00 24.34 C ATOM 1373 CG2 ILE A 89 -9.843 16.969 -2.458 1.00 52.13 C ATOM 1374 CD1 ILE A 89 -9.182 20.506 -1.751 1.00 22.10 C ATOM 0 H ILE A 89 -11.717 20.119 -0.802 1.00 44.35 H new ATOM 0 HA ILE A 89 -12.317 17.975 -2.614 1.00 24.24 H new ATOM 0 HB ILE A 89 -9.900 18.299 -0.793 1.00 5.54 H new ATOM 0 HG12 ILE A 89 -9.264 19.160 -3.404 1.00 24.34 H new ATOM 0 HG13 ILE A 89 -10.791 19.935 -3.031 1.00 24.34 H new ATOM 0 HG21 ILE A 89 -8.758 17.009 -2.552 1.00 52.13 H new ATOM 0 HG22 ILE A 89 -10.124 16.105 -1.855 1.00 52.13 H new ATOM 0 HG23 ILE A 89 -10.289 16.880 -3.448 1.00 52.13 H new ATOM 0 HD11 ILE A 89 -8.906 21.352 -2.380 1.00 22.10 H new ATOM 0 HD12 ILE A 89 -9.832 20.849 -0.946 1.00 22.10 H new ATOM 0 HD13 ILE A 89 -8.282 20.061 -1.326 1.00 22.10 H new ATOM 1386 N LYS A 90 -12.754 16.000 -1.154 1.00 12.44 N ATOM 1387 CA LYS A 90 -13.155 14.884 -0.305 1.00 54.53 C ATOM 1388 C LYS A 90 -12.676 13.559 -0.887 1.00 61.43 C ATOM 1389 O LYS A 90 -13.089 13.163 -1.977 1.00 51.04 O ATOM 1390 CB LYS A 90 -14.677 14.862 -0.143 1.00 20.20 C ATOM 1391 CG LYS A 90 -15.181 13.704 0.701 1.00 15.43 C ATOM 1392 CD LYS A 90 -16.682 13.518 0.552 1.00 31.21 C ATOM 1393 CE LYS A 90 -17.143 12.200 1.157 1.00 2.50 C ATOM 1394 NZ LYS A 90 -18.624 12.144 1.301 1.00 41.04 N ATOM 0 H LYS A 90 -12.890 15.840 -2.152 1.00 12.44 H new ATOM 0 HA LYS A 90 -12.693 15.019 0.673 1.00 54.53 H new ATOM 0 HB2 LYS A 90 -14.999 15.799 0.311 1.00 20.20 H new ATOM 0 HB3 LYS A 90 -15.138 14.810 -1.129 1.00 20.20 H new ATOM 0 HG2 LYS A 90 -14.669 12.788 0.407 1.00 15.43 H new ATOM 0 HG3 LYS A 90 -14.938 13.883 1.748 1.00 15.43 H new ATOM 0 HD2 LYS A 90 -17.202 14.344 1.037 1.00 31.21 H new ATOM 0 HD3 LYS A 90 -16.951 13.549 -0.504 1.00 31.21 H new ATOM 0 HE2 LYS A 90 -16.808 11.375 0.529 1.00 2.50 H new ATOM 0 HE3 LYS A 90 -16.678 12.066 2.134 1.00 2.50 H new ATOM 0 HZ1 LYS A 90 -18.869 11.630 2.171 1.00 41.04 H new ATOM 0 HZ2 LYS A 90 -19.005 13.111 1.351 1.00 41.04 H new ATOM 0 HZ3 LYS A 90 -19.034 11.652 0.482 1.00 41.04 H new ATOM 1408 N ARG A 91 -11.803 12.876 -0.153 1.00 13.31 N ATOM 1409 CA ARG A 91 -11.268 11.595 -0.597 1.00 33.23 C ATOM 1410 C ARG A 91 -12.324 10.498 -0.489 1.00 2.22 C ATOM 1411 O ARG A 91 -13.178 10.529 0.398 1.00 42.14 O ATOM 1412 CB ARG A 91 -10.039 11.217 0.231 1.00 4.12 C ATOM 1413 CG ARG A 91 -9.558 9.795 -0.006 1.00 32.31 C ATOM 1414 CD ARG A 91 -8.199 9.553 0.631 1.00 64.51 C ATOM 1415 NE ARG A 91 -7.378 8.641 -0.161 1.00 62.34 N ATOM 1416 CZ ARG A 91 -7.614 7.337 -0.261 1.00 12.40 C ATOM 1417 NH1 ARG A 91 -8.642 6.796 0.378 1.00 20.11 N ATOM 1418 NH2 ARG A 91 -6.822 6.573 -1.002 1.00 21.24 N ATOM 0 H ARG A 91 -11.451 13.189 0.752 1.00 13.31 H new ATOM 0 HA ARG A 91 -10.977 11.694 -1.643 1.00 33.23 H new ATOM 0 HB2 ARG A 91 -9.229 11.909 -0.000 1.00 4.12 H new ATOM 0 HB3 ARG A 91 -10.272 11.341 1.289 1.00 4.12 H new ATOM 0 HG2 ARG A 91 -10.283 9.092 0.403 1.00 32.31 H new ATOM 0 HG3 ARG A 91 -9.498 9.604 -1.077 1.00 32.31 H new ATOM 0 HD2 ARG A 91 -7.678 10.503 0.745 1.00 64.51 H new ATOM 0 HD3 ARG A 91 -8.335 9.142 1.631 1.00 64.51 H new ATOM 0 HE ARG A 91 -6.579 9.026 -0.665 1.00 62.34 H new ATOM 0 HH11 ARG A 91 -9.253 7.381 0.948 1.00 20.11 H new ATOM 0 HH12 ARG A 91 -8.821 5.795 0.300 1.00 20.11 H new ATOM 0 HH21 ARG A 91 -6.031 6.986 -1.496 1.00 21.24 H new ATOM 0 HH22 ARG A 91 -7.004 5.572 -1.078 1.00 21.24 H new ATOM 1432 N PHE A 92 -12.259 9.530 -1.397 1.00 52.41 N ATOM 1433 CA PHE A 92 -13.210 8.425 -1.405 1.00 60.32 C ATOM 1434 C PHE A 92 -12.484 7.083 -1.425 1.00 24.12 C ATOM 1435 O PHE A 92 -12.952 6.102 -0.848 1.00 53.43 O ATOM 1436 CB PHE A 92 -14.139 8.532 -2.616 1.00 12.20 C ATOM 1437 CG PHE A 92 -15.285 9.481 -2.410 1.00 0.30 C ATOM 1438 CD1 PHE A 92 -15.076 10.851 -2.409 1.00 23.11 C ATOM 1439 CD2 PHE A 92 -16.571 9.004 -2.217 1.00 33.30 C ATOM 1440 CE1 PHE A 92 -16.128 11.727 -2.220 1.00 1.10 C ATOM 1441 CE2 PHE A 92 -17.627 9.875 -2.028 1.00 13.00 C ATOM 1442 CZ PHE A 92 -17.405 11.238 -2.028 1.00 52.33 C ATOM 0 H PHE A 92 -11.558 9.488 -2.137 1.00 52.41 H new ATOM 0 HA PHE A 92 -13.804 8.484 -0.493 1.00 60.32 H new ATOM 0 HB2 PHE A 92 -13.560 8.856 -3.481 1.00 12.20 H new ATOM 0 HB3 PHE A 92 -14.534 7.543 -2.850 1.00 12.20 H new ATOM 0 HD1 PHE A 92 -14.079 11.239 -2.558 1.00 23.11 H new ATOM 0 HD2 PHE A 92 -16.750 7.939 -2.214 1.00 33.30 H new ATOM 0 HE1 PHE A 92 -15.952 12.792 -2.222 1.00 1.10 H new ATOM 0 HE2 PHE A 92 -18.625 9.490 -1.880 1.00 13.00 H new ATOM 0 HZ PHE A 92 -18.229 11.920 -1.878 1.00 52.33 H new ATOM 1452 N GLY A 93 -11.335 7.048 -2.094 1.00 11.01 N ATOM 1453 CA GLY A 93 -10.562 5.823 -2.178 1.00 32.45 C ATOM 1454 C GLY A 93 -11.395 4.642 -2.638 1.00 3.42 C ATOM 1455 O GLY A 93 -11.354 4.265 -3.809 1.00 33.13 O ATOM 0 H GLY A 93 -10.926 7.847 -2.579 1.00 11.01 H new ATOM 0 HA2 GLY A 93 -9.731 5.968 -2.868 1.00 32.45 H new ATOM 0 HA3 GLY A 93 -10.131 5.601 -1.202 1.00 32.45 H new TER 1459 GLY A 93