USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 751 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 Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.37 (180deg=-1.22) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc=-0.000667 X(o=-0.00067,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -152:sc= -0.161 (180deg=-0.735) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= 1.96 (180deg=1.82) USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= 0.467 (180deg=0.0138) USER MOD Single : A 16 ASN :FLIP amide:sc= 1.05 F(o=-0.35,f=1.1) USER MOD Single : A 17 SER OG : rot 180:sc=-0.000908 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.368 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0755 X(o=-0.076,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0809 K(o=-0.081,f=-1.3!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.1 K(o=-1.1,f=-7.9!) USER MOD Single : A 45 THR OG1 : rot 180:sc=6.65e-06 USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= -0.031 (180deg=-0.247) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -165:sc= 0.217 USER MOD Single : A 55 HIS : no HD1:sc= -1.69 X(o=-1.7,f=-1.6) USER MOD Single : A 56 TYR OH : rot 150:sc= -1.41 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0689 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0511 USER MOD Single : A 73 ASN : amide:sc= -0.0311 K(o=-0.031,f=-1.7) USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.127) USER MOD Single : A 80 TYR OH : rot 29:sc= 1.27 USER MOD Single : A 82 LYS NZ :NH3+ 178:sc= -0.06 (180deg=-0.069) USER MOD Single : A 84 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0696) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 25.732 6.752 -20.651 1.00 0.00 N ATOM 2 CA GLY A -2 24.585 6.767 -21.540 1.00 0.00 C ATOM 3 C GLY A -2 23.632 5.619 -21.275 1.00 0.00 C ATOM 4 O GLY A -2 22.454 5.835 -20.989 1.00 0.00 O ATOM 0 H1 GLY A -2 26.353 7.556 -20.872 1.00 0.00 H new ATOM 0 H2 GLY A -2 25.408 6.825 -19.665 1.00 0.00 H new ATOM 0 H3 GLY A -2 26.258 5.864 -20.778 1.00 0.00 H new ATOM 0 HA2 GLY A -2 24.053 7.711 -21.425 1.00 0.00 H new ATOM 0 HA3 GLY A -2 24.929 6.719 -22.573 1.00 0.00 H new ATOM 8 N SER A -1 24.141 4.395 -21.372 1.00 0.00 N ATOM 9 CA SER A -1 23.324 3.208 -21.146 1.00 0.00 C ATOM 10 C SER A -1 23.921 2.341 -20.042 1.00 0.00 C ATOM 11 O SER A -1 23.941 1.114 -20.142 1.00 0.00 O ATOM 12 CB SER A -1 23.200 2.395 -22.437 1.00 0.00 C ATOM 13 OG SER A -1 24.460 2.246 -23.068 1.00 0.00 O ATOM 0 H SER A -1 25.114 4.199 -21.605 1.00 0.00 H new ATOM 0 HA SER A -1 22.332 3.534 -20.833 1.00 0.00 H new ATOM 0 HB2 SER A -1 22.783 1.413 -22.214 1.00 0.00 H new ATOM 0 HB3 SER A -1 22.505 2.889 -23.116 1.00 0.00 H new ATOM 0 HG SER A -1 24.355 1.722 -23.889 1.00 0.00 H new ATOM 19 N HIS A 0 24.406 2.988 -18.987 1.00 0.00 N ATOM 20 CA HIS A 0 25.003 2.277 -17.862 1.00 0.00 C ATOM 21 C HIS A 0 24.256 2.585 -16.567 1.00 0.00 C ATOM 22 O HIS A 0 23.982 1.688 -15.770 1.00 0.00 O ATOM 23 CB HIS A 0 26.477 2.656 -17.716 1.00 0.00 C ATOM 24 CG HIS A 0 27.366 2.007 -18.732 1.00 0.00 C ATOM 25 ND1 HIS A 0 28.165 2.722 -19.600 1.00 0.00 N ATOM 26 CD2 HIS A 0 27.580 0.701 -19.016 1.00 0.00 C ATOM 27 CE1 HIS A 0 28.830 1.884 -20.374 1.00 0.00 C ATOM 28 NE2 HIS A 0 28.494 0.651 -20.039 1.00 0.00 N ATOM 0 H HIS A 0 24.397 4.003 -18.888 1.00 0.00 H new ATOM 0 HA HIS A 0 24.928 1.208 -18.059 1.00 0.00 H new ATOM 0 HB2 HIS A 0 26.575 3.738 -17.798 1.00 0.00 H new ATOM 0 HB3 HIS A 0 26.818 2.380 -16.718 1.00 0.00 H new ATOM 0 HD2 HIS A 0 27.118 -0.145 -18.528 1.00 0.00 H new ATOM 0 HE1 HIS A 0 29.530 2.160 -21.149 1.00 0.00 H new ATOM 0 HE2 HIS A 0 28.855 -0.200 -20.470 1.00 0.00 H new ATOM 36 N MET A 1 23.932 3.858 -16.365 1.00 0.00 N ATOM 37 CA MET A 1 23.217 4.282 -15.167 1.00 0.00 C ATOM 38 C MET A 1 21.816 4.775 -15.516 1.00 0.00 C ATOM 39 O MET A 1 21.637 5.552 -16.454 1.00 0.00 O ATOM 40 CB MET A 1 23.994 5.386 -14.448 1.00 0.00 C ATOM 41 CG MET A 1 25.245 4.888 -13.742 1.00 0.00 C ATOM 42 SD MET A 1 26.671 4.794 -14.840 1.00 0.00 S ATOM 43 CE MET A 1 26.873 6.519 -15.281 1.00 0.00 C ATOM 0 H MET A 1 24.153 4.613 -17.014 1.00 0.00 H new ATOM 0 HA MET A 1 23.126 3.421 -14.505 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.275 6.151 -15.171 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.340 5.863 -13.718 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.476 5.552 -12.909 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.051 3.902 -13.320 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.917 6.711 -15.531 1.00 0.00 H new ATOM 0 HE2 MET A 1 26.246 6.750 -16.142 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.580 7.146 -14.439 1.00 0.00 H new ATOM 53 N SER A 2 20.826 4.319 -14.756 1.00 0.00 N ATOM 54 CA SER A 2 19.441 4.711 -14.988 1.00 0.00 C ATOM 55 C SER A 2 19.052 5.887 -14.098 1.00 0.00 C ATOM 56 O SER A 2 18.585 6.919 -14.582 1.00 0.00 O ATOM 57 CB SER A 2 18.504 3.529 -14.729 1.00 0.00 C ATOM 58 OG SER A 2 18.688 2.510 -15.696 1.00 0.00 O ATOM 0 H SER A 2 20.957 3.677 -13.974 1.00 0.00 H new ATOM 0 HA SER A 2 19.347 5.019 -16.029 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.688 3.127 -13.733 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.469 3.870 -14.749 1.00 0.00 H new ATOM 0 HG SER A 2 18.079 1.766 -15.507 1.00 0.00 H new ATOM 64 N HIS A 3 19.249 5.725 -12.794 1.00 0.00 N ATOM 65 CA HIS A 3 18.920 6.773 -11.835 1.00 0.00 C ATOM 66 C HIS A 3 19.870 6.736 -10.642 1.00 0.00 C ATOM 67 O HIS A 3 20.361 5.673 -10.260 1.00 0.00 O ATOM 68 CB HIS A 3 17.476 6.621 -11.356 1.00 0.00 C ATOM 69 CG HIS A 3 17.164 5.259 -10.816 1.00 0.00 C ATOM 70 ND1 HIS A 3 17.232 4.948 -9.474 1.00 0.00 N ATOM 71 CD2 HIS A 3 16.779 4.124 -11.445 1.00 0.00 C ATOM 72 CE1 HIS A 3 16.904 3.680 -9.302 1.00 0.00 C ATOM 73 NE2 HIS A 3 16.624 3.158 -10.482 1.00 0.00 N ATOM 0 H HIS A 3 19.635 4.878 -12.377 1.00 0.00 H new ATOM 0 HA HIS A 3 19.030 7.735 -12.335 1.00 0.00 H new ATOM 0 HB2 HIS A 3 17.278 7.363 -10.583 1.00 0.00 H new ATOM 0 HB3 HIS A 3 16.802 6.837 -12.185 1.00 0.00 H new ATOM 0 HD2 HIS A 3 16.623 4.001 -12.507 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.871 3.159 -8.357 1.00 0.00 H new ATOM 0 HE2 HIS A 3 16.339 2.193 -10.651 1.00 0.00 H new ATOM 81 N ASP A 4 20.126 7.901 -10.058 1.00 0.00 N ATOM 82 CA ASP A 4 21.018 8.002 -8.909 1.00 0.00 C ATOM 83 C ASP A 4 20.231 8.298 -7.636 1.00 0.00 C ATOM 84 O ASP A 4 20.569 7.810 -6.558 1.00 0.00 O ATOM 85 CB ASP A 4 22.064 9.093 -9.142 1.00 0.00 C ATOM 86 CG ASP A 4 21.462 10.484 -9.138 1.00 0.00 C ATOM 87 OD1 ASP A 4 20.522 10.726 -9.924 1.00 0.00 O ATOM 88 OD2 ASP A 4 21.929 11.330 -8.347 1.00 0.00 O ATOM 0 H ASP A 4 19.728 8.790 -10.362 1.00 0.00 H new ATOM 0 HA ASP A 4 21.525 7.045 -8.788 1.00 0.00 H new ATOM 0 HB2 ASP A 4 22.829 9.029 -8.368 1.00 0.00 H new ATOM 0 HB3 ASP A 4 22.560 8.918 -10.096 1.00 0.00 H new ATOM 93 N GLY A 5 19.180 9.102 -7.768 1.00 0.00 N ATOM 94 CA GLY A 5 18.363 9.450 -6.621 1.00 0.00 C ATOM 95 C GLY A 5 18.740 10.793 -6.027 1.00 0.00 C ATOM 96 O GLY A 5 19.703 10.895 -5.266 1.00 0.00 O ATOM 0 H GLY A 5 18.880 9.518 -8.650 1.00 0.00 H new ATOM 0 HA2 GLY A 5 17.314 9.469 -6.918 1.00 0.00 H new ATOM 0 HA3 GLY A 5 18.464 8.678 -5.859 1.00 0.00 H new ATOM 100 N LYS A 6 17.981 11.826 -6.375 1.00 0.00 N ATOM 101 CA LYS A 6 18.240 13.170 -5.872 1.00 0.00 C ATOM 102 C LYS A 6 17.346 13.485 -4.677 1.00 0.00 C ATOM 103 O LYS A 6 16.156 13.757 -4.836 1.00 0.00 O ATOM 104 CB LYS A 6 18.014 14.203 -6.978 1.00 0.00 C ATOM 105 CG LYS A 6 18.406 15.616 -6.580 1.00 0.00 C ATOM 106 CD LYS A 6 19.856 15.910 -6.924 1.00 0.00 C ATOM 107 CE LYS A 6 20.770 15.682 -5.729 1.00 0.00 C ATOM 108 NZ LYS A 6 20.444 16.597 -4.600 1.00 0.00 N ATOM 0 H LYS A 6 17.181 11.758 -7.004 1.00 0.00 H new ATOM 0 HA LYS A 6 19.280 13.216 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.586 13.911 -7.859 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.962 14.193 -7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.759 16.331 -7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.251 15.750 -5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.171 15.274 -7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.949 16.942 -7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.681 14.648 -5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.807 15.832 -6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.300 16.769 -4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.091 17.500 -4.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.714 16.162 -4.000 1.00 0.00 H new ATOM 122 N GLU A 7 17.927 13.447 -3.482 1.00 0.00 N ATOM 123 CA GLU A 7 17.182 13.730 -2.261 1.00 0.00 C ATOM 124 C GLU A 7 17.968 14.665 -1.347 1.00 0.00 C ATOM 125 O GLU A 7 19.181 14.524 -1.195 1.00 0.00 O ATOM 126 CB GLU A 7 16.858 12.430 -1.522 1.00 0.00 C ATOM 127 CG GLU A 7 15.638 12.529 -0.622 1.00 0.00 C ATOM 128 CD GLU A 7 15.027 11.175 -0.317 1.00 0.00 C ATOM 129 OE1 GLU A 7 14.187 10.710 -1.117 1.00 0.00 O ATOM 130 OE2 GLU A 7 15.387 10.580 0.720 1.00 0.00 O ATOM 0 H GLU A 7 18.911 13.223 -3.334 1.00 0.00 H new ATOM 0 HA GLU A 7 16.251 14.223 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.697 11.637 -2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 7 17.720 12.139 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.919 13.016 0.312 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.890 13.162 -1.099 1.00 0.00 H new ATOM 137 N GLU A 8 17.268 15.619 -0.742 1.00 0.00 N ATOM 138 CA GLU A 8 17.901 16.578 0.156 1.00 0.00 C ATOM 139 C GLU A 8 17.382 16.414 1.581 1.00 0.00 C ATOM 140 O GLU A 8 16.319 15.841 1.819 1.00 0.00 O ATOM 141 CB GLU A 8 17.650 18.007 -0.329 1.00 0.00 C ATOM 142 CG GLU A 8 18.725 18.529 -1.269 1.00 0.00 C ATOM 143 CD GLU A 8 18.190 19.543 -2.261 1.00 0.00 C ATOM 144 OE1 GLU A 8 18.063 20.728 -1.886 1.00 0.00 O ATOM 145 OE2 GLU A 8 17.899 19.153 -3.411 1.00 0.00 O ATOM 0 H GLU A 8 16.263 15.749 -0.857 1.00 0.00 H new ATOM 0 HA GLU A 8 18.974 16.385 0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.686 18.045 -0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 8 17.582 18.668 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 8 19.524 18.985 -0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 8 19.165 17.693 -1.812 1.00 0.00 H new ATOM 152 N PRO A 9 18.149 16.930 2.553 1.00 0.00 N ATOM 153 CA PRO A 9 17.787 16.854 3.972 1.00 0.00 C ATOM 154 C PRO A 9 16.591 17.736 4.313 1.00 0.00 C ATOM 155 O PRO A 9 16.132 18.523 3.486 1.00 0.00 O ATOM 156 CB PRO A 9 19.044 17.357 4.686 1.00 0.00 C ATOM 157 CG PRO A 9 19.723 18.230 3.688 1.00 0.00 C ATOM 158 CD PRO A 9 19.429 17.627 2.342 1.00 0.00 C ATOM 0 HA PRO A 9 17.489 15.847 4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.791 17.911 5.590 1.00 0.00 H new ATOM 0 HB3 PRO A 9 19.685 16.529 4.989 1.00 0.00 H new ATOM 0 HG2 PRO A 9 19.351 19.253 3.747 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.797 18.270 3.871 1.00 0.00 H new ATOM 0 HD2 PRO A 9 19.348 18.391 1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.215 16.939 2.030 1.00 0.00 H new ATOM 166 N GLY A 10 16.091 17.600 5.537 1.00 0.00 N ATOM 167 CA GLY A 10 14.953 18.392 5.966 1.00 0.00 C ATOM 168 C GLY A 10 13.641 17.646 5.825 1.00 0.00 C ATOM 169 O GLY A 10 13.181 17.393 4.711 1.00 0.00 O ATOM 0 H GLY A 10 16.454 16.955 6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.090 18.686 7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.911 19.309 5.379 1.00 0.00 H new ATOM 173 N ILE A 11 13.039 17.292 6.955 1.00 0.00 N ATOM 174 CA ILE A 11 11.773 16.570 6.951 1.00 0.00 C ATOM 175 C ILE A 11 10.602 17.511 7.215 1.00 0.00 C ATOM 176 O ILE A 11 10.554 18.184 8.244 1.00 0.00 O ATOM 177 CB ILE A 11 11.762 15.447 8.005 1.00 0.00 C ATOM 178 CG1 ILE A 11 12.939 14.495 7.780 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.444 14.689 7.958 1.00 0.00 C ATOM 180 CD1 ILE A 11 14.201 14.914 8.501 1.00 0.00 C ATOM 0 H ILE A 11 13.407 17.493 7.885 1.00 0.00 H new ATOM 0 HA ILE A 11 11.665 16.129 5.960 1.00 0.00 H new ATOM 0 HB ILE A 11 11.865 15.895 8.993 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.656 13.496 8.111 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.145 14.431 6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.452 13.899 8.709 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.622 15.375 8.162 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.312 14.249 6.969 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.993 14.194 8.296 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.508 15.900 8.153 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.012 14.950 9.574 1.00 0.00 H new ATOM 192 N ALA A 12 9.659 17.551 6.280 1.00 0.00 N ATOM 193 CA ALA A 12 8.487 18.407 6.413 1.00 0.00 C ATOM 194 C ALA A 12 7.236 17.583 6.702 1.00 0.00 C ATOM 195 O ALA A 12 6.856 16.715 5.915 1.00 0.00 O ATOM 196 CB ALA A 12 8.294 19.238 5.154 1.00 0.00 C ATOM 0 H ALA A 12 9.684 17.000 5.422 1.00 0.00 H new ATOM 0 HA ALA A 12 8.652 19.078 7.256 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.415 19.872 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.173 19.862 4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.156 18.576 4.299 1.00 0.00 H new ATOM 202 N LYS A 13 6.600 17.859 7.835 1.00 0.00 N ATOM 203 CA LYS A 13 5.391 17.145 8.228 1.00 0.00 C ATOM 204 C LYS A 13 4.371 18.098 8.842 1.00 0.00 C ATOM 205 O LYS A 13 4.735 19.091 9.473 1.00 0.00 O ATOM 206 CB LYS A 13 5.732 16.034 9.225 1.00 0.00 C ATOM 207 CG LYS A 13 6.058 16.546 10.617 1.00 0.00 C ATOM 208 CD LYS A 13 6.505 15.420 11.534 1.00 0.00 C ATOM 209 CE LYS A 13 7.861 14.869 11.121 1.00 0.00 C ATOM 210 NZ LYS A 13 8.847 14.927 12.235 1.00 0.00 N ATOM 0 H LYS A 13 6.902 18.573 8.498 1.00 0.00 H new ATOM 0 HA LYS A 13 4.954 16.701 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.891 15.344 9.289 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.582 15.467 8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.844 17.299 10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.181 17.035 11.041 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.556 15.784 12.560 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.765 14.620 11.516 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.748 13.837 10.790 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.240 15.437 10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.700 14.393 11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.103 15.918 12.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.428 14.511 13.091 1.00 0.00 H new ATOM 224 N LYS A 14 3.092 17.789 8.656 1.00 0.00 N ATOM 225 CA LYS A 14 2.019 18.616 9.194 1.00 0.00 C ATOM 226 C LYS A 14 1.465 18.018 10.483 1.00 0.00 C ATOM 227 O LYS A 14 0.888 16.931 10.476 1.00 0.00 O ATOM 228 CB LYS A 14 0.896 18.763 8.164 1.00 0.00 C ATOM 229 CG LYS A 14 1.036 19.991 7.282 1.00 0.00 C ATOM 230 CD LYS A 14 0.064 19.954 6.115 1.00 0.00 C ATOM 231 CE LYS A 14 -0.762 21.228 6.036 1.00 0.00 C ATOM 232 NZ LYS A 14 0.015 22.358 5.455 1.00 0.00 N ATOM 0 H LYS A 14 2.774 16.971 8.136 1.00 0.00 H new ATOM 0 HA LYS A 14 2.430 19.600 9.418 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.874 17.874 7.534 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.060 18.808 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.859 20.888 7.875 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.057 20.054 6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.616 19.819 5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.599 19.095 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.650 21.048 5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.107 21.500 7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.423 23.260 5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.993 22.324 5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.018 22.280 4.418 1.00 0.00 H new ATOM 246 N ILE A 15 1.644 18.736 11.587 1.00 0.00 N ATOM 247 CA ILE A 15 1.160 18.277 12.883 1.00 0.00 C ATOM 248 C ILE A 15 -0.111 19.015 13.288 1.00 0.00 C ATOM 249 O ILE A 15 -0.586 19.894 12.570 1.00 0.00 O ATOM 250 CB ILE A 15 2.223 18.469 13.981 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.601 19.947 14.103 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.453 17.626 13.681 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.292 20.288 15.405 1.00 0.00 C ATOM 0 H ILE A 15 2.121 19.638 11.610 1.00 0.00 H new ATOM 0 HA ILE A 15 0.943 17.214 12.780 1.00 0.00 H new ATOM 0 HB ILE A 15 1.804 18.140 14.932 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.254 20.216 13.273 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.700 20.553 14.009 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.195 17.773 14.466 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.172 16.574 13.640 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.875 17.927 12.722 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.531 21.351 15.423 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.633 20.050 16.240 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.211 19.708 15.492 1.00 0.00 H new ATOM 265 N ASN A 16 -0.657 18.652 14.444 1.00 0.00 N ATOM 266 CA ASN A 16 -1.874 19.280 14.946 1.00 0.00 C ATOM 267 C ASN A 16 -1.789 19.503 16.453 1.00 0.00 C ATOM 268 O ASN A 16 -2.796 19.772 17.108 1.00 0.00 O ATOM 269 CB ASN A 16 -3.093 18.417 14.614 1.00 0.00 C ATOM 270 CG ASN A 16 -4.359 19.238 14.464 1.00 0.00 C ATOM 271 OD1 ASN A 16 -5.054 19.055 13.348 1.00 0.00 O flip ATOM 272 ND2 ASN A 16 -4.708 20.027 15.343 1.00 0.00 N flip ATOM 0 H ASN A 16 -0.276 17.926 15.051 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.981 20.249 14.459 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.907 17.870 13.690 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.235 17.676 15.400 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.142 20.135 16.185 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.563 20.572 15.229 1.00 0.00 H new ATOM 279 N SER A 17 -0.582 19.388 16.996 1.00 0.00 N ATOM 280 CA SER A 17 -0.366 19.574 18.426 1.00 0.00 C ATOM 281 C SER A 17 0.929 20.338 18.685 1.00 0.00 C ATOM 282 O SER A 17 1.950 20.089 18.044 1.00 0.00 O ATOM 283 CB SER A 17 -0.323 18.220 19.136 1.00 0.00 C ATOM 284 OG SER A 17 -1.266 17.321 18.578 1.00 0.00 O ATOM 0 H SER A 17 0.262 19.167 16.467 1.00 0.00 H new ATOM 0 HA SER A 17 -1.197 20.158 18.821 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.678 17.796 19.058 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.529 18.356 20.198 1.00 0.00 H new ATOM 0 HG SER A 17 -1.218 16.463 19.048 1.00 0.00 H new ATOM 290 N VAL A 18 0.879 21.270 19.631 1.00 0.00 N ATOM 291 CA VAL A 18 2.047 22.071 19.977 1.00 0.00 C ATOM 292 C VAL A 18 3.010 21.285 20.860 1.00 0.00 C ATOM 293 O VAL A 18 4.177 21.651 21.002 1.00 0.00 O ATOM 294 CB VAL A 18 1.643 23.368 20.704 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.647 24.159 19.871 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.070 23.052 22.078 1.00 0.00 C ATOM 0 H VAL A 18 0.042 21.489 20.172 1.00 0.00 H new ATOM 0 HA VAL A 18 2.544 22.328 19.041 1.00 0.00 H new ATOM 0 HB VAL A 18 2.534 23.981 20.839 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.373 25.072 20.401 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.098 24.417 18.913 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.245 23.556 19.702 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.790 23.979 22.578 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.190 22.419 21.968 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.820 22.531 22.674 1.00 0.00 H new ATOM 306 N ASP A 19 2.514 20.204 21.451 1.00 0.00 N ATOM 307 CA ASP A 19 3.330 19.364 22.320 1.00 0.00 C ATOM 308 C ASP A 19 4.502 18.764 21.549 1.00 0.00 C ATOM 309 O ASP A 19 5.607 18.639 22.078 1.00 0.00 O ATOM 310 CB ASP A 19 2.481 18.249 22.932 1.00 0.00 C ATOM 311 CG ASP A 19 3.222 17.484 24.011 1.00 0.00 C ATOM 312 OD1 ASP A 19 4.129 16.699 23.664 1.00 0.00 O ATOM 313 OD2 ASP A 19 2.894 17.669 25.202 1.00 0.00 O ATOM 0 H ASP A 19 1.550 19.888 21.344 1.00 0.00 H new ATOM 0 HA ASP A 19 3.726 19.988 23.121 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.572 18.678 23.354 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.173 17.558 22.147 1.00 0.00 H new ATOM 318 N ASP A 20 4.253 18.392 20.299 1.00 0.00 N ATOM 319 CA ASP A 20 5.287 17.804 19.455 1.00 0.00 C ATOM 320 C ASP A 20 6.153 18.888 18.821 1.00 0.00 C ATOM 321 O ASP A 20 6.294 18.947 17.599 1.00 0.00 O ATOM 322 CB ASP A 20 4.654 16.937 18.365 1.00 0.00 C ATOM 323 CG ASP A 20 4.340 15.535 18.850 1.00 0.00 C ATOM 324 OD1 ASP A 20 4.135 15.362 20.070 1.00 0.00 O ATOM 325 OD2 ASP A 20 4.301 14.611 18.011 1.00 0.00 O ATOM 0 H ASP A 20 3.344 18.487 19.847 1.00 0.00 H new ATOM 0 HA ASP A 20 5.921 17.179 20.083 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.737 17.411 18.015 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.330 16.880 17.512 1.00 0.00 H new ATOM 330 N ILE A 21 6.728 19.744 19.659 1.00 0.00 N ATOM 331 CA ILE A 21 7.580 20.825 19.180 1.00 0.00 C ATOM 332 C ILE A 21 8.928 20.821 19.893 1.00 0.00 C ATOM 333 O ILE A 21 9.007 20.543 21.090 1.00 0.00 O ATOM 334 CB ILE A 21 6.911 22.198 19.378 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.614 22.280 18.571 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.863 23.314 18.975 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.838 23.557 18.802 1.00 0.00 C ATOM 0 H ILE A 21 6.619 19.710 20.673 1.00 0.00 H new ATOM 0 HA ILE A 21 7.736 20.655 18.115 1.00 0.00 H new ATOM 0 HB ILE A 21 6.668 22.318 20.434 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.850 22.195 17.510 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.982 21.429 18.827 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.376 24.278 19.121 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.762 23.265 19.590 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.134 23.199 17.926 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.931 23.546 18.198 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.571 23.635 19.856 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.452 24.412 18.519 1.00 0.00 H new ATOM 349 N ILE A 22 9.985 21.133 19.151 1.00 0.00 N ATOM 350 CA ILE A 22 11.329 21.168 19.713 1.00 0.00 C ATOM 351 C ILE A 22 12.066 22.436 19.297 1.00 0.00 C ATOM 352 O ILE A 22 11.508 23.294 18.613 1.00 0.00 O ATOM 353 CB ILE A 22 12.153 19.941 19.278 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.121 19.792 17.756 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.626 18.683 19.951 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.184 18.861 17.217 1.00 0.00 C ATOM 0 H ILE A 22 9.936 21.365 18.159 1.00 0.00 H new ATOM 0 HA ILE A 22 11.218 21.155 20.797 1.00 0.00 H new ATOM 0 HB ILE A 22 13.188 20.088 19.588 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.140 19.423 17.456 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.245 20.774 17.300 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.219 17.825 19.633 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.697 18.792 21.033 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.584 18.529 19.669 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.101 18.804 16.132 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.170 19.240 17.486 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.048 17.867 17.644 1.00 0.00 H new ATOM 368 N ILE A 23 13.324 22.546 19.712 1.00 0.00 N ATOM 369 CA ILE A 23 14.139 23.707 19.380 1.00 0.00 C ATOM 370 C ILE A 23 14.514 23.711 17.902 1.00 0.00 C ATOM 371 O ILE A 23 14.658 24.769 17.289 1.00 0.00 O ATOM 372 CB ILE A 23 15.425 23.753 20.225 1.00 0.00 C ATOM 373 CG1 ILE A 23 15.082 23.890 21.710 1.00 0.00 C ATOM 374 CG2 ILE A 23 16.315 24.901 19.773 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.861 22.565 22.404 1.00 0.00 C ATOM 0 H ILE A 23 13.800 21.845 20.279 1.00 0.00 H new ATOM 0 HA ILE A 23 13.537 24.588 19.602 1.00 0.00 H new ATOM 0 HB ILE A 23 15.969 22.819 20.082 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.888 24.424 22.213 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.184 24.499 21.812 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.220 24.920 20.380 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.583 24.763 18.726 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.780 25.844 19.889 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.622 22.739 23.453 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.035 22.037 21.927 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.766 21.962 22.333 1.00 0.00 H new ATOM 387 N LYS A 24 14.670 22.520 17.334 1.00 0.00 N ATOM 388 CA LYS A 24 15.025 22.383 15.926 1.00 0.00 C ATOM 389 C LYS A 24 13.779 22.399 15.047 1.00 0.00 C ATOM 390 O LYS A 24 13.863 22.214 13.832 1.00 0.00 O ATOM 391 CB LYS A 24 15.806 21.087 15.700 1.00 0.00 C ATOM 392 CG LYS A 24 17.104 21.014 16.486 1.00 0.00 C ATOM 393 CD LYS A 24 18.010 22.194 16.177 1.00 0.00 C ATOM 394 CE LYS A 24 19.478 21.823 16.328 1.00 0.00 C ATOM 395 NZ LYS A 24 20.014 21.172 15.100 1.00 0.00 N ATOM 0 H LYS A 24 14.556 21.635 17.828 1.00 0.00 H new ATOM 0 HA LYS A 24 15.653 23.231 15.651 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.176 20.241 15.975 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.028 20.987 14.638 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.883 20.993 17.553 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.622 20.085 16.249 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.824 22.541 15.161 1.00 0.00 H new ATOM 0 HD3 LYS A 24 17.772 23.022 16.845 1.00 0.00 H new ATOM 0 HE2 LYS A 24 20.059 22.719 16.547 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.597 21.150 17.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 21.016 20.934 15.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.477 20.303 14.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.924 21.823 14.294 1.00 0.00 H new ATOM 409 N CYS A 25 12.626 22.621 15.666 1.00 0.00 N ATOM 410 CA CYS A 25 11.362 22.661 14.939 1.00 0.00 C ATOM 411 C CYS A 25 11.053 24.077 14.464 1.00 0.00 C ATOM 412 O CYS A 25 11.277 25.047 15.187 1.00 0.00 O ATOM 413 CB CYS A 25 10.224 22.147 15.823 1.00 0.00 C ATOM 414 SG CYS A 25 8.572 22.485 15.170 1.00 0.00 S ATOM 0 H CYS A 25 12.540 22.776 16.670 1.00 0.00 H new ATOM 0 HA CYS A 25 11.453 22.016 14.065 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.338 21.071 15.954 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.312 22.600 16.811 1.00 0.00 H new ATOM 0 HG CYS A 25 7.678 22.011 15.986 1.00 0.00 H new ATOM 420 N GLN A 26 10.539 24.187 13.243 1.00 0.00 N ATOM 421 CA GLN A 26 10.202 25.485 12.671 1.00 0.00 C ATOM 422 C GLN A 26 8.748 25.516 12.211 1.00 0.00 C ATOM 423 O GLN A 26 8.289 24.614 11.509 1.00 0.00 O ATOM 424 CB GLN A 26 11.127 25.804 11.495 1.00 0.00 C ATOM 425 CG GLN A 26 12.592 25.912 11.886 1.00 0.00 C ATOM 426 CD GLN A 26 13.518 25.920 10.686 1.00 0.00 C ATOM 427 OE1 GLN A 26 13.852 26.978 10.152 1.00 0.00 O ATOM 428 NE2 GLN A 26 13.938 24.737 10.254 1.00 0.00 N ATOM 0 H GLN A 26 10.347 23.394 12.631 1.00 0.00 H new ATOM 0 HA GLN A 26 10.336 26.240 13.445 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.018 25.028 10.737 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.811 26.742 11.039 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.744 26.824 12.463 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.853 25.077 12.536 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.636 23.885 10.727 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.562 24.680 9.450 1.00 0.00 H new ATOM 437 N CYS A 27 8.028 26.558 12.612 1.00 0.00 N ATOM 438 CA CYS A 27 6.625 26.706 12.243 1.00 0.00 C ATOM 439 C CYS A 27 6.300 28.159 11.910 1.00 0.00 C ATOM 440 O CYS A 27 7.120 29.052 12.124 1.00 0.00 O ATOM 441 CB CYS A 27 5.723 26.216 13.376 1.00 0.00 C ATOM 442 SG CYS A 27 6.129 26.910 14.995 1.00 0.00 S ATOM 0 H CYS A 27 8.393 27.313 13.193 1.00 0.00 H new ATOM 0 HA CYS A 27 6.443 26.100 11.356 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.689 26.463 13.136 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.786 25.129 13.432 1.00 0.00 H new ATOM 0 HG CYS A 27 5.310 26.438 15.887 1.00 0.00 H new ATOM 448 N TRP A 28 5.102 28.387 11.386 1.00 0.00 N ATOM 449 CA TRP A 28 4.670 29.731 11.023 1.00 0.00 C ATOM 450 C TRP A 28 3.921 30.393 12.175 1.00 0.00 C ATOM 451 O TRP A 28 3.105 29.758 12.843 1.00 0.00 O ATOM 452 CB TRP A 28 3.779 29.685 9.780 1.00 0.00 C ATOM 453 CG TRP A 28 4.539 29.423 8.514 1.00 0.00 C ATOM 454 CD1 TRP A 28 4.934 28.208 8.032 1.00 0.00 C ATOM 455 CD2 TRP A 28 4.996 30.399 7.572 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.610 28.370 6.847 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.660 29.704 6.542 1.00 0.00 C ATOM 458 CE3 TRP A 28 4.907 31.791 7.496 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.232 30.356 5.453 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.475 32.437 6.415 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.130 31.720 5.405 1.00 0.00 C ATOM 0 H TRP A 28 4.412 27.658 11.203 1.00 0.00 H new ATOM 0 HA TRP A 28 5.558 30.323 10.804 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.025 28.908 9.910 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.248 30.632 9.687 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.743 27.259 8.512 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.010 27.618 6.285 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.403 32.352 8.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.738 29.805 4.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.413 33.513 6.347 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.563 32.254 4.572 1.00 0.00 H new ATOM 472 N VAL A 29 4.204 31.672 12.402 1.00 0.00 N ATOM 473 CA VAL A 29 3.556 32.419 13.473 1.00 0.00 C ATOM 474 C VAL A 29 2.703 33.552 12.914 1.00 0.00 C ATOM 475 O VAL A 29 3.102 34.235 11.971 1.00 0.00 O ATOM 476 CB VAL A 29 4.590 33.005 14.453 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.892 33.703 15.610 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.520 31.913 14.961 1.00 0.00 C ATOM 0 H VAL A 29 4.877 32.212 11.859 1.00 0.00 H new ATOM 0 HA VAL A 29 2.917 31.716 14.008 1.00 0.00 H new ATOM 0 HB VAL A 29 5.190 33.744 13.923 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.638 34.111 16.292 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.271 34.512 15.226 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.266 32.987 16.143 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.244 32.344 15.652 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.937 31.149 15.476 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.046 31.462 14.119 1.00 0.00 H new ATOM 488 N GLN A 30 1.527 33.746 13.502 1.00 0.00 N ATOM 489 CA GLN A 30 0.617 34.797 13.062 1.00 0.00 C ATOM 490 C GLN A 30 1.006 36.142 13.667 1.00 0.00 C ATOM 491 O GLN A 30 0.959 36.325 14.884 1.00 0.00 O ATOM 492 CB GLN A 30 -0.822 34.449 13.446 1.00 0.00 C ATOM 493 CG GLN A 30 -1.863 35.071 12.530 1.00 0.00 C ATOM 494 CD GLN A 30 -3.218 35.209 13.196 1.00 0.00 C ATOM 495 OE1 GLN A 30 -4.200 34.606 12.762 1.00 0.00 O ATOM 496 NE2 GLN A 30 -3.278 36.007 14.256 1.00 0.00 N ATOM 0 H GLN A 30 1.182 33.189 14.284 1.00 0.00 H new ATOM 0 HA GLN A 30 0.688 34.873 11.977 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.941 33.366 13.434 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.006 34.779 14.468 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.518 36.054 12.209 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.964 34.460 11.633 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.439 36.487 14.581 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.163 36.140 14.745 1.00 0.00 H new ATOM 505 N LYS A 31 1.391 37.082 12.810 1.00 0.00 N ATOM 506 CA LYS A 31 1.787 38.412 13.259 1.00 0.00 C ATOM 507 C LYS A 31 1.322 39.479 12.274 1.00 0.00 C ATOM 508 O LYS A 31 1.444 39.314 11.062 1.00 0.00 O ATOM 509 CB LYS A 31 3.307 38.484 13.426 1.00 0.00 C ATOM 510 CG LYS A 31 3.747 39.186 14.698 1.00 0.00 C ATOM 511 CD LYS A 31 3.256 38.455 15.937 1.00 0.00 C ATOM 512 CE LYS A 31 3.911 38.996 17.199 1.00 0.00 C ATOM 513 NZ LYS A 31 3.348 40.317 17.593 1.00 0.00 N ATOM 0 H LYS A 31 1.437 36.947 11.800 1.00 0.00 H new ATOM 0 HA LYS A 31 1.312 38.600 14.222 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.713 37.472 13.420 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.734 39.003 12.568 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.835 39.252 14.721 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.366 40.207 14.702 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.174 38.556 16.015 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.471 37.391 15.842 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.773 38.285 18.013 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.985 39.092 17.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.820 40.652 18.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.502 41.003 16.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.328 40.220 17.771 1.00 0.00 H new ATOM 527 N ASN A 32 0.789 40.575 12.805 1.00 0.00 N ATOM 528 CA ASN A 32 0.307 41.671 11.972 1.00 0.00 C ATOM 529 C ASN A 32 -0.672 41.163 10.918 1.00 0.00 C ATOM 530 O ASN A 32 -0.530 41.456 9.731 1.00 0.00 O ATOM 531 CB ASN A 32 1.481 42.379 11.294 1.00 0.00 C ATOM 532 CG ASN A 32 1.141 43.799 10.884 1.00 0.00 C ATOM 533 OD1 ASN A 32 0.363 44.480 11.552 1.00 0.00 O ATOM 534 ND2 ASN A 32 1.725 44.252 9.781 1.00 0.00 N ATOM 0 H ASN A 32 0.680 40.728 13.808 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.214 42.381 12.615 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.334 42.394 11.973 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.784 41.812 10.414 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.535 45.200 9.456 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.363 43.652 9.259 1.00 0.00 H new ATOM 541 N ASP A 33 -1.666 40.401 11.361 1.00 0.00 N ATOM 542 CA ASP A 33 -2.671 39.853 10.457 1.00 0.00 C ATOM 543 C ASP A 33 -2.011 39.114 9.296 1.00 0.00 C ATOM 544 O ASP A 33 -2.576 39.022 8.206 1.00 0.00 O ATOM 545 CB ASP A 33 -3.570 40.968 9.923 1.00 0.00 C ATOM 546 CG ASP A 33 -4.421 41.596 11.009 1.00 0.00 C ATOM 547 OD1 ASP A 33 -4.817 40.870 11.945 1.00 0.00 O ATOM 548 OD2 ASP A 33 -4.692 42.812 10.923 1.00 0.00 O ATOM 0 H ASP A 33 -1.798 40.149 12.341 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.280 39.144 11.017 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.953 41.737 9.459 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.218 40.566 9.144 1.00 0.00 H new ATOM 553 N GLU A 34 -0.813 38.591 9.537 1.00 0.00 N ATOM 554 CA GLU A 34 -0.077 37.863 8.510 1.00 0.00 C ATOM 555 C GLU A 34 0.620 36.642 9.104 1.00 0.00 C ATOM 556 O GLU A 34 0.527 36.384 10.303 1.00 0.00 O ATOM 557 CB GLU A 34 0.952 38.778 7.843 1.00 0.00 C ATOM 558 CG GLU A 34 0.351 39.723 6.816 1.00 0.00 C ATOM 559 CD GLU A 34 1.249 40.907 6.516 1.00 0.00 C ATOM 560 OE1 GLU A 34 2.295 41.042 7.186 1.00 0.00 O ATOM 561 OE2 GLU A 34 0.908 41.698 5.613 1.00 0.00 O ATOM 0 H GLU A 34 -0.332 38.658 10.434 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.790 37.523 7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.457 39.363 8.611 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.712 38.164 7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.158 39.176 5.893 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.611 40.084 7.180 1.00 0.00 H new ATOM 568 N GLU A 35 1.318 35.896 8.254 1.00 0.00 N ATOM 569 CA GLU A 35 2.030 34.702 8.694 1.00 0.00 C ATOM 570 C GLU A 35 3.504 34.771 8.302 1.00 0.00 C ATOM 571 O GLU A 35 3.837 34.989 7.137 1.00 0.00 O ATOM 572 CB GLU A 35 1.390 33.449 8.093 1.00 0.00 C ATOM 573 CG GLU A 35 1.290 33.484 6.577 1.00 0.00 C ATOM 574 CD GLU A 35 -0.041 32.964 6.068 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.666 32.144 6.772 1.00 0.00 O ATOM 576 OE2 GLU A 35 -0.456 33.378 4.965 1.00 0.00 O ATOM 0 H GLU A 35 1.406 36.097 7.258 1.00 0.00 H new ATOM 0 HA GLU A 35 1.963 34.651 9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.971 32.576 8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.391 33.325 8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.432 34.508 6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.096 32.888 6.150 1.00 0.00 H new ATOM 583 N ARG A 36 4.380 34.585 9.283 1.00 0.00 N ATOM 584 CA ARG A 36 5.817 34.629 9.042 1.00 0.00 C ATOM 585 C ARG A 36 6.502 33.392 9.616 1.00 0.00 C ATOM 586 O ARG A 36 6.195 32.958 10.727 1.00 0.00 O ATOM 587 CB ARG A 36 6.422 35.892 9.658 1.00 0.00 C ATOM 588 CG ARG A 36 5.903 37.179 9.040 1.00 0.00 C ATOM 589 CD ARG A 36 6.697 38.386 9.516 1.00 0.00 C ATOM 590 NE ARG A 36 6.433 39.570 8.704 1.00 0.00 N ATOM 591 CZ ARG A 36 5.355 40.333 8.844 1.00 0.00 C ATOM 592 NH1 ARG A 36 4.444 40.036 9.761 1.00 0.00 N ATOM 593 NH2 ARG A 36 5.186 41.395 8.067 1.00 0.00 N ATOM 0 H ARG A 36 4.120 34.402 10.252 1.00 0.00 H new ATOM 0 HA ARG A 36 5.979 34.646 7.964 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.211 35.901 10.727 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.506 35.857 9.547 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.959 37.111 7.954 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.852 37.309 9.297 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.447 38.597 10.556 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.762 38.155 9.484 1.00 0.00 H new ATOM 0 HE ARG A 36 7.114 39.826 7.989 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.571 39.220 10.360 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.617 40.623 9.867 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.885 41.627 7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.357 41.980 8.176 1.00 0.00 H new ATOM 607 N LEU A 37 7.431 32.828 8.851 1.00 0.00 N ATOM 608 CA LEU A 37 8.160 31.640 9.283 1.00 0.00 C ATOM 609 C LEU A 37 8.998 31.936 10.522 1.00 0.00 C ATOM 610 O LEU A 37 9.869 32.806 10.502 1.00 0.00 O ATOM 611 CB LEU A 37 9.059 31.132 8.155 1.00 0.00 C ATOM 612 CG LEU A 37 9.670 29.745 8.357 1.00 0.00 C ATOM 613 CD1 LEU A 37 8.835 28.686 7.655 1.00 0.00 C ATOM 614 CD2 LEU A 37 11.105 29.715 7.852 1.00 0.00 C ATOM 0 H LEU A 37 7.697 33.174 7.929 1.00 0.00 H new ATOM 0 HA LEU A 37 7.432 30.869 9.535 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.479 31.121 7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.869 31.847 8.013 1.00 0.00 H new ATOM 0 HG LEU A 37 9.677 29.525 9.425 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.286 27.706 7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.824 28.690 8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.796 28.902 6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.523 28.720 8.004 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.122 29.957 6.789 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.699 30.446 8.400 1.00 0.00 H new ATOM 626 N ALA A 38 8.731 31.206 11.600 1.00 0.00 N ATOM 627 CA ALA A 38 9.463 31.387 12.847 1.00 0.00 C ATOM 628 C ALA A 38 10.096 30.078 13.307 1.00 0.00 C ATOM 629 O ALA A 38 9.464 29.023 13.261 1.00 0.00 O ATOM 630 CB ALA A 38 8.541 31.938 13.925 1.00 0.00 C ATOM 0 H ALA A 38 8.012 30.483 11.634 1.00 0.00 H new ATOM 0 HA ALA A 38 10.264 32.104 12.669 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.101 32.068 14.851 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.141 32.900 13.605 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.720 31.241 14.093 1.00 0.00 H new ATOM 636 N GLU A 39 11.347 30.155 13.750 1.00 0.00 N ATOM 637 CA GLU A 39 12.065 28.974 14.217 1.00 0.00 C ATOM 638 C GLU A 39 12.056 28.900 15.741 1.00 0.00 C ATOM 639 O GLU A 39 12.380 29.873 16.422 1.00 0.00 O ATOM 640 CB GLU A 39 13.506 28.991 13.705 1.00 0.00 C ATOM 641 CG GLU A 39 14.384 27.915 14.322 1.00 0.00 C ATOM 642 CD GLU A 39 15.740 27.813 13.652 1.00 0.00 C ATOM 643 OE1 GLU A 39 16.462 28.831 13.615 1.00 0.00 O ATOM 644 OE2 GLU A 39 16.080 26.714 13.165 1.00 0.00 O ATOM 0 H GLU A 39 11.884 31.021 13.795 1.00 0.00 H new ATOM 0 HA GLU A 39 11.558 28.093 13.824 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.499 28.866 12.622 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.944 29.968 13.910 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.522 28.128 15.382 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.876 26.953 14.253 1.00 0.00 H new ATOM 651 N ILE A 40 11.682 27.740 16.269 1.00 0.00 N ATOM 652 CA ILE A 40 11.631 27.538 17.712 1.00 0.00 C ATOM 653 C ILE A 40 13.018 27.663 18.334 1.00 0.00 C ATOM 654 O ILE A 40 14.012 27.225 17.754 1.00 0.00 O ATOM 655 CB ILE A 40 11.045 26.159 18.067 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.649 26.003 17.461 1.00 0.00 C ATOM 657 CG2 ILE A 40 10.996 25.977 19.577 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.624 26.946 18.052 1.00 0.00 C ATOM 0 H ILE A 40 11.410 26.925 15.719 1.00 0.00 H new ATOM 0 HA ILE A 40 10.982 28.315 18.116 1.00 0.00 H new ATOM 0 HB ILE A 40 11.691 25.387 17.648 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.708 26.171 16.386 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.312 24.976 17.605 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.579 24.998 19.812 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.004 26.050 19.985 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.369 26.753 20.017 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.658 26.779 17.575 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.536 26.763 19.123 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.938 27.976 17.884 1.00 0.00 H new ATOM 670 N LEU A 41 13.077 28.264 19.517 1.00 0.00 N ATOM 671 CA LEU A 41 14.343 28.446 20.220 1.00 0.00 C ATOM 672 C LEU A 41 14.349 27.678 21.538 1.00 0.00 C ATOM 673 O LEU A 41 15.371 27.122 21.940 1.00 0.00 O ATOM 674 CB LEU A 41 14.595 29.932 20.481 1.00 0.00 C ATOM 675 CG LEU A 41 15.085 30.749 19.285 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.285 32.204 19.680 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.376 30.163 18.732 1.00 0.00 C ATOM 0 H LEU A 41 12.264 28.634 20.010 1.00 0.00 H new ATOM 0 HA LEU A 41 15.141 28.054 19.589 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.670 30.378 20.846 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.329 30.020 21.282 1.00 0.00 H new ATOM 0 HG LEU A 41 14.326 30.706 18.504 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.634 32.771 18.817 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.340 32.620 20.029 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.025 32.266 20.478 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.710 30.757 17.881 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.143 30.176 19.507 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.201 29.136 18.411 1.00 0.00 H new ATOM 689 N SER A 42 13.200 27.650 22.206 1.00 0.00 N ATOM 690 CA SER A 42 13.072 26.952 23.480 1.00 0.00 C ATOM 691 C SER A 42 11.607 26.692 23.813 1.00 0.00 C ATOM 692 O SER A 42 10.707 27.199 23.142 1.00 0.00 O ATOM 693 CB SER A 42 13.725 27.766 24.599 1.00 0.00 C ATOM 694 OG SER A 42 14.607 26.964 25.365 1.00 0.00 O ATOM 0 H SER A 42 12.344 28.103 21.886 1.00 0.00 H new ATOM 0 HA SER A 42 13.582 25.992 23.393 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.272 28.606 24.170 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.954 28.184 25.246 1.00 0.00 H new ATOM 0 HG SER A 42 15.013 27.508 26.072 1.00 0.00 H new ATOM 700 N ILE A 43 11.375 25.897 24.852 1.00 0.00 N ATOM 701 CA ILE A 43 10.019 25.570 25.275 1.00 0.00 C ATOM 702 C ILE A 43 9.813 25.884 26.753 1.00 0.00 C ATOM 703 O ILE A 43 10.718 25.705 27.568 1.00 0.00 O ATOM 704 CB ILE A 43 9.695 24.085 25.027 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.979 23.714 23.570 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.244 23.793 25.380 1.00 0.00 C ATOM 707 CD1 ILE A 43 9.848 22.235 23.286 1.00 0.00 C ATOM 0 H ILE A 43 12.108 25.468 25.416 1.00 0.00 H new ATOM 0 HA ILE A 43 9.345 26.185 24.678 1.00 0.00 H new ATOM 0 HB ILE A 43 10.334 23.478 25.668 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.293 24.262 22.924 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.987 24.037 23.311 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.030 22.739 25.199 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.072 24.023 26.431 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.589 24.407 24.762 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.063 22.046 22.234 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.553 21.682 23.906 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.833 21.910 23.513 1.00 0.00 H new ATOM 719 N ASN A 44 8.616 26.351 27.093 1.00 0.00 N ATOM 720 CA ASN A 44 8.290 26.688 28.474 1.00 0.00 C ATOM 721 C ASN A 44 6.869 26.255 28.819 1.00 0.00 C ATOM 722 O ASN A 44 5.902 26.950 28.507 1.00 0.00 O ATOM 723 CB ASN A 44 8.447 28.193 28.703 1.00 0.00 C ATOM 724 CG ASN A 44 8.384 28.563 30.172 1.00 0.00 C ATOM 725 OD1 ASN A 44 7.822 27.830 30.985 1.00 0.00 O ATOM 726 ND2 ASN A 44 8.963 29.707 30.519 1.00 0.00 N ATOM 0 H ASN A 44 7.855 26.505 26.431 1.00 0.00 H new ATOM 0 HA ASN A 44 8.981 26.153 29.126 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.399 28.524 28.288 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.663 28.724 28.163 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.953 30.009 31.493 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.418 30.284 29.811 1.00 0.00 H new ATOM 733 N THR A 45 6.749 25.100 29.467 1.00 0.00 N ATOM 734 CA THR A 45 5.447 24.573 29.855 1.00 0.00 C ATOM 735 C THR A 45 5.155 24.856 31.324 1.00 0.00 C ATOM 736 O THR A 45 4.843 23.946 32.091 1.00 0.00 O ATOM 737 CB THR A 45 5.360 23.054 29.609 1.00 0.00 C ATOM 738 OG1 THR A 45 6.519 22.405 30.142 1.00 0.00 O ATOM 739 CG2 THR A 45 5.241 22.752 28.123 1.00 0.00 C ATOM 0 H THR A 45 7.538 24.512 29.734 1.00 0.00 H new ATOM 0 HA THR A 45 4.705 25.077 29.236 1.00 0.00 H new ATOM 0 HB THR A 45 4.469 22.677 30.112 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.456 21.440 29.983 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.181 21.674 27.974 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.342 23.223 27.727 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.115 23.142 27.601 1.00 0.00 H new ATOM 747 N ARG A 46 5.257 26.124 31.708 1.00 0.00 N ATOM 748 CA ARG A 46 5.003 26.527 33.086 1.00 0.00 C ATOM 749 C ARG A 46 3.625 27.168 33.221 1.00 0.00 C ATOM 750 O ARG A 46 3.276 27.701 34.274 1.00 0.00 O ATOM 751 CB ARG A 46 6.080 27.505 33.561 1.00 0.00 C ATOM 752 CG ARG A 46 5.859 28.932 33.086 1.00 0.00 C ATOM 753 CD ARG A 46 7.086 29.796 33.329 1.00 0.00 C ATOM 754 NE ARG A 46 6.891 30.724 34.440 1.00 0.00 N ATOM 755 CZ ARG A 46 7.638 31.806 34.633 1.00 0.00 C ATOM 756 NH1 ARG A 46 8.624 32.093 33.795 1.00 0.00 N ATOM 757 NH2 ARG A 46 7.399 32.602 35.667 1.00 0.00 N ATOM 0 H ARG A 46 5.514 26.890 31.085 1.00 0.00 H new ATOM 0 HA ARG A 46 5.032 25.633 33.710 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.113 27.495 34.650 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.052 27.160 33.209 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.619 28.930 32.023 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.002 29.361 33.605 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.944 29.157 33.537 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.319 30.358 32.424 1.00 0.00 H new ATOM 0 HE ARG A 46 6.141 30.531 35.104 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.811 31.483 32.999 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.196 32.924 33.946 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.642 32.384 36.314 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.973 33.432 35.815 1.00 0.00 H new ATOM 771 N LYS A 47 2.845 27.112 32.146 1.00 0.00 N ATOM 772 CA LYS A 47 1.504 27.685 32.143 1.00 0.00 C ATOM 773 C LYS A 47 0.529 26.784 31.392 1.00 0.00 C ATOM 774 O LYS A 47 0.913 25.738 30.870 1.00 0.00 O ATOM 775 CB LYS A 47 1.524 29.076 31.505 1.00 0.00 C ATOM 776 CG LYS A 47 1.289 30.203 32.496 1.00 0.00 C ATOM 777 CD LYS A 47 2.593 30.693 33.103 1.00 0.00 C ATOM 778 CE LYS A 47 2.488 32.141 33.557 1.00 0.00 C ATOM 779 NZ LYS A 47 2.405 33.079 32.403 1.00 0.00 N ATOM 0 H LYS A 47 3.119 26.675 31.266 1.00 0.00 H new ATOM 0 HA LYS A 47 1.170 27.770 33.177 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.486 29.228 31.016 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.761 29.121 30.728 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.786 31.030 31.995 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.624 29.859 33.288 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.860 30.063 33.952 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.395 30.598 32.371 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.607 32.261 34.187 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.354 32.394 34.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.672 34.035 32.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.053 32.765 31.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.432 33.093 32.036 1.00 0.00 H new ATOM 793 N ALA A 48 -0.733 27.198 31.341 1.00 0.00 N ATOM 794 CA ALA A 48 -1.761 26.430 30.651 1.00 0.00 C ATOM 795 C ALA A 48 -2.712 27.346 29.889 1.00 0.00 C ATOM 796 O ALA A 48 -3.515 28.073 30.474 1.00 0.00 O ATOM 797 CB ALA A 48 -2.533 25.572 31.642 1.00 0.00 C ATOM 0 H ALA A 48 -1.067 28.061 31.769 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.269 25.778 29.929 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.298 25.004 31.113 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.848 24.884 32.138 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.007 26.212 32.386 1.00 0.00 H new ATOM 803 N PRO A 49 -2.621 27.314 28.551 1.00 0.00 N ATOM 804 CA PRO A 49 -1.669 26.453 27.843 1.00 0.00 C ATOM 805 C PRO A 49 -0.226 26.910 28.028 1.00 0.00 C ATOM 806 O PRO A 49 0.045 28.019 28.490 1.00 0.00 O ATOM 807 CB PRO A 49 -2.089 26.590 26.377 1.00 0.00 C ATOM 808 CG PRO A 49 -2.764 27.916 26.299 1.00 0.00 C ATOM 809 CD PRO A 49 -3.441 28.115 27.627 1.00 0.00 C ATOM 0 HA PRO A 49 -1.693 25.428 28.214 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.226 26.545 25.712 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.762 25.785 26.081 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.043 28.710 26.106 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.488 27.938 25.485 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.460 29.166 27.915 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.475 27.771 27.606 1.00 0.00 H new ATOM 817 N PRO A 50 0.724 26.038 27.659 1.00 0.00 N ATOM 818 CA PRO A 50 2.155 26.331 27.774 1.00 0.00 C ATOM 819 C PRO A 50 2.611 27.397 26.783 1.00 0.00 C ATOM 820 O PRO A 50 1.880 27.753 25.858 1.00 0.00 O ATOM 821 CB PRO A 50 2.819 24.988 27.458 1.00 0.00 C ATOM 822 CG PRO A 50 1.828 24.266 26.612 1.00 0.00 C ATOM 823 CD PRO A 50 0.473 24.699 27.100 1.00 0.00 C ATOM 0 HA PRO A 50 2.411 26.728 28.756 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.763 25.127 26.931 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.042 24.432 28.369 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.961 24.513 25.559 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.949 23.187 26.704 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.255 24.732 26.289 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.080 24.016 27.853 1.00 0.00 H new ATOM 831 N LYS A 51 3.823 27.902 26.980 1.00 0.00 N ATOM 832 CA LYS A 51 4.378 28.926 26.103 1.00 0.00 C ATOM 833 C LYS A 51 5.602 28.401 25.360 1.00 0.00 C ATOM 834 O LYS A 51 6.224 27.425 25.780 1.00 0.00 O ATOM 835 CB LYS A 51 4.754 30.171 26.911 1.00 0.00 C ATOM 836 CG LYS A 51 3.564 30.857 27.558 1.00 0.00 C ATOM 837 CD LYS A 51 3.999 32.026 28.426 1.00 0.00 C ATOM 838 CE LYS A 51 2.876 33.037 28.604 1.00 0.00 C ATOM 839 NZ LYS A 51 3.397 34.394 28.925 1.00 0.00 N ATOM 0 H LYS A 51 4.441 27.619 27.740 1.00 0.00 H new ATOM 0 HA LYS A 51 3.616 29.192 25.370 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.466 29.889 27.686 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.260 30.880 26.256 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.882 31.211 26.785 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.013 30.138 28.164 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.316 31.658 29.402 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.862 32.515 27.974 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.281 33.083 27.692 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.212 32.705 29.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.601 35.054 29.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.944 34.356 29.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.011 34.722 28.152 1.00 0.00 H new ATOM 853 N PHE A 52 5.944 29.056 24.255 1.00 0.00 N ATOM 854 CA PHE A 52 7.095 28.655 23.454 1.00 0.00 C ATOM 855 C PHE A 52 7.859 29.876 22.950 1.00 0.00 C ATOM 856 O PHE A 52 7.279 30.941 22.739 1.00 0.00 O ATOM 857 CB PHE A 52 6.645 27.796 22.270 1.00 0.00 C ATOM 858 CG PHE A 52 5.867 26.577 22.675 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.525 26.672 23.003 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.479 25.335 22.727 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.806 25.552 23.376 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.766 24.211 23.099 1.00 0.00 C ATOM 863 CZ PHE A 52 4.428 24.320 23.425 1.00 0.00 C ATOM 0 H PHE A 52 5.441 29.866 23.894 1.00 0.00 H new ATOM 0 HA PHE A 52 7.760 28.068 24.087 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.033 28.403 21.603 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.522 27.485 21.703 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.034 27.633 22.967 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.525 25.244 22.474 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.760 25.640 23.629 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.254 23.248 23.135 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.869 23.443 23.718 1.00 0.00 H new ATOM 873 N TYR A 53 9.164 29.713 22.761 1.00 0.00 N ATOM 874 CA TYR A 53 10.009 30.802 22.285 1.00 0.00 C ATOM 875 C TYR A 53 10.274 30.671 20.788 1.00 0.00 C ATOM 876 O TYR A 53 10.893 29.707 20.337 1.00 0.00 O ATOM 877 CB TYR A 53 11.333 30.819 23.050 1.00 0.00 C ATOM 878 CG TYR A 53 12.001 32.175 23.074 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.287 33.317 23.416 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.346 32.315 22.755 1.00 0.00 C ATOM 881 CE1 TYR A 53 11.893 34.558 23.439 1.00 0.00 C ATOM 882 CE2 TYR A 53 13.961 33.552 22.777 1.00 0.00 C ATOM 883 CZ TYR A 53 13.230 34.670 23.119 1.00 0.00 C ATOM 884 OH TYR A 53 13.837 35.905 23.142 1.00 0.00 O ATOM 0 H TYR A 53 9.659 28.838 22.930 1.00 0.00 H new ATOM 0 HA TYR A 53 9.483 31.741 22.461 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.155 30.493 24.075 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.013 30.096 22.599 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.240 33.233 23.668 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.921 31.441 22.485 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.323 35.436 23.706 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.008 33.643 22.528 1.00 0.00 H new ATOM 0 HH TYR A 53 14.695 35.857 22.671 1.00 0.00 H new ATOM 894 N VAL A 54 9.801 31.649 20.022 1.00 0.00 N ATOM 895 CA VAL A 54 9.988 31.646 18.576 1.00 0.00 C ATOM 896 C VAL A 54 10.885 32.797 18.136 1.00 0.00 C ATOM 897 O VAL A 54 10.981 33.819 18.816 1.00 0.00 O ATOM 898 CB VAL A 54 8.641 31.747 17.836 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.848 30.458 17.992 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.843 32.938 18.344 1.00 0.00 C ATOM 0 H VAL A 54 9.285 32.454 20.379 1.00 0.00 H new ATOM 0 HA VAL A 54 10.464 30.700 18.320 1.00 0.00 H new ATOM 0 HB VAL A 54 8.839 31.897 16.775 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.899 30.548 17.463 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.418 29.627 17.576 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.657 30.274 19.049 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.894 32.994 17.810 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.653 32.820 19.411 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.409 33.854 18.175 1.00 0.00 H new ATOM 910 N HIS A 55 11.541 32.625 16.992 1.00 0.00 N ATOM 911 CA HIS A 55 12.430 33.651 16.459 1.00 0.00 C ATOM 912 C HIS A 55 12.167 33.879 14.974 1.00 0.00 C ATOM 913 O HIS A 55 12.192 32.941 14.177 1.00 0.00 O ATOM 914 CB HIS A 55 13.891 33.252 16.675 1.00 0.00 C ATOM 915 CG HIS A 55 14.850 33.992 15.795 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.732 35.338 15.517 1.00 0.00 N ATOM 917 CD2 HIS A 55 15.950 33.567 15.129 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.717 35.708 14.718 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.470 34.652 14.468 1.00 0.00 N ATOM 0 H HIS A 55 11.473 31.785 16.417 1.00 0.00 H new ATOM 0 HA HIS A 55 12.233 34.581 16.992 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.157 33.428 17.717 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.997 32.182 16.495 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.345 32.562 15.120 1.00 0.00 H new ATOM 0 HE1 HIS A 55 15.879 36.705 14.334 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.303 34.644 13.879 1.00 0.00 H new ATOM 927 N TYR A 56 11.915 35.131 14.609 1.00 0.00 N ATOM 928 CA TYR A 56 11.644 35.483 13.220 1.00 0.00 C ATOM 929 C TYR A 56 12.919 35.421 12.383 1.00 0.00 C ATOM 930 O TYR A 56 13.784 36.290 12.484 1.00 0.00 O ATOM 931 CB TYR A 56 11.033 36.882 13.136 1.00 0.00 C ATOM 932 CG TYR A 56 9.634 36.968 13.702 1.00 0.00 C ATOM 933 CD1 TYR A 56 8.536 36.554 12.959 1.00 0.00 C ATOM 934 CD2 TYR A 56 9.410 37.463 14.981 1.00 0.00 C ATOM 935 CE1 TYR A 56 7.256 36.630 13.472 1.00 0.00 C ATOM 936 CE2 TYR A 56 8.134 37.542 15.503 1.00 0.00 C ATOM 937 CZ TYR A 56 7.060 37.125 14.745 1.00 0.00 C ATOM 938 OH TYR A 56 5.787 37.203 15.261 1.00 0.00 O ATOM 0 H TYR A 56 11.893 35.919 15.256 1.00 0.00 H new ATOM 0 HA TYR A 56 10.933 34.759 12.821 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.675 37.582 13.670 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.014 37.199 12.093 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.686 36.166 11.962 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.248 37.792 15.577 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.413 36.304 12.880 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.978 37.928 16.499 1.00 0.00 H new ATOM 0 HH TYR A 56 5.822 37.099 16.235 1.00 0.00 H new ATOM 948 N VAL A 57 13.027 34.385 11.557 1.00 0.00 N ATOM 949 CA VAL A 57 14.194 34.208 10.701 1.00 0.00 C ATOM 950 C VAL A 57 14.350 35.379 9.736 1.00 0.00 C ATOM 951 O VAL A 57 15.457 35.699 9.308 1.00 0.00 O ATOM 952 CB VAL A 57 14.104 32.900 9.893 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.354 32.708 9.048 1.00 0.00 C ATOM 954 CG2 VAL A 57 13.891 31.714 10.822 1.00 0.00 C ATOM 0 H VAL A 57 12.320 33.656 11.463 1.00 0.00 H new ATOM 0 HA VAL A 57 15.064 34.162 11.356 1.00 0.00 H new ATOM 0 HB VAL A 57 13.247 32.965 9.222 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.273 31.779 8.484 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.458 33.544 8.357 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.229 32.663 9.697 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.830 30.798 10.234 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.726 31.643 11.519 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.964 31.850 11.379 1.00 0.00 H new ATOM 964 N ASN A 58 13.232 36.014 9.400 1.00 0.00 N ATOM 965 CA ASN A 58 13.244 37.150 8.485 1.00 0.00 C ATOM 966 C ASN A 58 13.832 38.386 9.160 1.00 0.00 C ATOM 967 O ASN A 58 14.351 39.282 8.495 1.00 0.00 O ATOM 968 CB ASN A 58 11.827 37.450 7.992 1.00 0.00 C ATOM 969 CG ASN A 58 11.391 36.512 6.883 1.00 0.00 C ATOM 970 OD1 ASN A 58 11.543 36.818 5.700 1.00 0.00 O ATOM 971 ND2 ASN A 58 10.843 35.363 7.261 1.00 0.00 N ATOM 0 H ASN A 58 12.307 35.762 9.747 1.00 0.00 H new ATOM 0 HA ASN A 58 13.871 36.891 7.632 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.130 37.371 8.826 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.780 38.478 7.634 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.529 34.693 6.559 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.737 35.151 8.253 1.00 0.00 H new ATOM 978 N TYR A 59 13.746 38.426 10.485 1.00 0.00 N ATOM 979 CA TYR A 59 14.268 39.552 11.251 1.00 0.00 C ATOM 980 C TYR A 59 15.441 39.119 12.126 1.00 0.00 C ATOM 981 O TYR A 59 15.904 37.983 12.044 1.00 0.00 O ATOM 982 CB TYR A 59 13.165 40.158 12.121 1.00 0.00 C ATOM 983 CG TYR A 59 11.992 40.690 11.328 1.00 0.00 C ATOM 984 CD1 TYR A 59 12.143 41.768 10.466 1.00 0.00 C ATOM 985 CD2 TYR A 59 10.733 40.113 11.442 1.00 0.00 C ATOM 986 CE1 TYR A 59 11.074 42.258 9.740 1.00 0.00 C ATOM 987 CE2 TYR A 59 9.659 40.595 10.720 1.00 0.00 C ATOM 988 CZ TYR A 59 9.834 41.668 9.870 1.00 0.00 C ATOM 989 OH TYR A 59 8.767 42.151 9.149 1.00 0.00 O ATOM 0 H TYR A 59 13.320 37.692 11.051 1.00 0.00 H new ATOM 0 HA TYR A 59 14.622 40.305 10.547 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.807 39.401 12.819 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.587 40.967 12.717 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.113 42.232 10.361 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.592 39.273 12.107 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.209 43.098 9.075 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.687 40.135 10.820 1.00 0.00 H new ATOM 0 HH TYR A 59 7.967 41.623 9.355 1.00 0.00 H new ATOM 999 N ASN A 60 15.915 40.036 12.963 1.00 0.00 N ATOM 1000 CA ASN A 60 17.035 39.751 13.854 1.00 0.00 C ATOM 1001 C ASN A 60 16.568 38.976 15.082 1.00 0.00 C ATOM 1002 O ASN A 60 15.370 38.783 15.291 1.00 0.00 O ATOM 1003 CB ASN A 60 17.714 41.052 14.285 1.00 0.00 C ATOM 1004 CG ASN A 60 18.601 41.629 13.198 1.00 0.00 C ATOM 1005 OD1 ASN A 60 19.795 41.337 13.136 1.00 0.00 O ATOM 1006 ND2 ASN A 60 18.018 42.453 12.335 1.00 0.00 N ATOM 0 H ASN A 60 15.542 40.982 13.043 1.00 0.00 H new ATOM 0 HA ASN A 60 17.754 39.137 13.311 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.953 41.784 14.555 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.311 40.868 15.178 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.564 42.872 11.582 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.025 42.667 12.425 1.00 0.00 H new ATOM 1013 N LYS A 61 17.523 38.535 15.894 1.00 0.00 N ATOM 1014 CA LYS A 61 17.212 37.782 17.104 1.00 0.00 C ATOM 1015 C LYS A 61 16.505 38.665 18.127 1.00 0.00 C ATOM 1016 O LYS A 61 15.962 38.173 19.116 1.00 0.00 O ATOM 1017 CB LYS A 61 18.492 37.203 17.712 1.00 0.00 C ATOM 1018 CG LYS A 61 19.586 38.235 17.922 1.00 0.00 C ATOM 1019 CD LYS A 61 20.790 37.959 17.036 1.00 0.00 C ATOM 1020 CE LYS A 61 21.574 39.230 16.750 1.00 0.00 C ATOM 1021 NZ LYS A 61 23.044 39.003 16.822 1.00 0.00 N ATOM 0 H LYS A 61 18.519 38.686 15.736 1.00 0.00 H new ATOM 0 HA LYS A 61 16.544 36.965 16.832 1.00 0.00 H new ATOM 0 HB2 LYS A 61 18.252 36.740 18.669 1.00 0.00 H new ATOM 0 HB3 LYS A 61 18.869 36.414 17.061 1.00 0.00 H new ATOM 0 HG2 LYS A 61 19.195 39.230 17.707 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.894 38.232 18.968 1.00 0.00 H new ATOM 0 HD2 LYS A 61 21.440 37.230 17.520 1.00 0.00 H new ATOM 0 HD3 LYS A 61 20.458 37.516 16.097 1.00 0.00 H new ATOM 0 HE2 LYS A 61 21.312 39.603 15.760 1.00 0.00 H new ATOM 0 HE3 LYS A 61 21.290 40.001 17.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 23.543 39.893 16.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 23.298 38.671 17.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 23.319 38.286 16.121 1.00 0.00 H new ATOM 1035 N ARG A 62 16.514 39.972 17.882 1.00 0.00 N ATOM 1036 CA ARG A 62 15.874 40.923 18.782 1.00 0.00 C ATOM 1037 C ARG A 62 14.368 40.973 18.537 1.00 0.00 C ATOM 1038 O ARG A 62 13.645 41.718 19.201 1.00 0.00 O ATOM 1039 CB ARG A 62 16.478 42.316 18.600 1.00 0.00 C ATOM 1040 CG ARG A 62 16.201 42.926 17.236 1.00 0.00 C ATOM 1041 CD ARG A 62 17.276 43.929 16.846 1.00 0.00 C ATOM 1042 NE ARG A 62 17.516 44.911 17.899 1.00 0.00 N ATOM 1043 CZ ARG A 62 18.483 45.821 17.849 1.00 0.00 C ATOM 1044 NH1 ARG A 62 19.295 45.874 16.803 1.00 0.00 N ATOM 1045 NH2 ARG A 62 18.638 46.681 18.848 1.00 0.00 N ATOM 0 H ARG A 62 16.958 40.396 17.067 1.00 0.00 H new ATOM 0 HA ARG A 62 16.048 40.591 19.805 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.084 42.977 19.371 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.556 42.258 18.751 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.150 42.136 16.487 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.229 43.419 17.247 1.00 0.00 H new ATOM 0 HD2 ARG A 62 18.203 43.400 16.626 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.978 44.443 15.932 1.00 0.00 H new ATOM 0 HE ARG A 62 16.908 44.898 18.718 1.00 0.00 H new ATOM 0 HH11 ARG A 62 19.179 45.215 16.033 1.00 0.00 H new ATOM 0 HH12 ARG A 62 20.036 46.574 16.768 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.015 46.644 19.655 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.380 47.379 18.809 1.00 0.00 H new ATOM 1059 N LEU A 63 13.903 40.177 17.582 1.00 0.00 N ATOM 1060 CA LEU A 63 12.483 40.131 17.249 1.00 0.00 C ATOM 1061 C LEU A 63 11.807 38.933 17.909 1.00 0.00 C ATOM 1062 O LEU A 63 10.593 38.926 18.109 1.00 0.00 O ATOM 1063 CB LEU A 63 12.297 40.063 15.732 1.00 0.00 C ATOM 1064 CG LEU A 63 11.837 41.354 15.054 1.00 0.00 C ATOM 1065 CD1 LEU A 63 10.521 41.830 15.648 1.00 0.00 C ATOM 1066 CD2 LEU A 63 12.903 42.433 15.182 1.00 0.00 C ATOM 0 H LEU A 63 14.487 39.554 17.024 1.00 0.00 H new ATOM 0 HA LEU A 63 12.017 41.041 17.626 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.242 39.757 15.283 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.571 39.281 15.510 1.00 0.00 H new ATOM 0 HG LEU A 63 11.681 41.149 13.995 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.210 42.750 15.153 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.759 41.064 15.504 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.650 42.018 16.714 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.558 43.345 14.694 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.091 42.635 16.236 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.824 42.093 14.708 1.00 0.00 H new ATOM 1078 N ASP A 64 12.603 37.924 18.247 1.00 0.00 N ATOM 1079 CA ASP A 64 12.082 36.723 18.889 1.00 0.00 C ATOM 1080 C ASP A 64 11.253 37.079 20.119 1.00 0.00 C ATOM 1081 O ASP A 64 11.334 38.195 20.631 1.00 0.00 O ATOM 1082 CB ASP A 64 13.230 35.792 19.285 1.00 0.00 C ATOM 1083 CG ASP A 64 14.148 36.413 20.320 1.00 0.00 C ATOM 1084 OD1 ASP A 64 13.948 37.599 20.655 1.00 0.00 O ATOM 1085 OD2 ASP A 64 15.066 35.712 20.794 1.00 0.00 O ATOM 0 H ASP A 64 13.610 37.914 18.087 1.00 0.00 H new ATOM 0 HA ASP A 64 11.437 36.210 18.175 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.820 34.862 19.678 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.809 35.535 18.398 1.00 0.00 H new ATOM 1090 N GLU A 65 10.455 36.124 20.585 1.00 0.00 N ATOM 1091 CA GLU A 65 9.609 36.339 21.754 1.00 0.00 C ATOM 1092 C GLU A 65 8.911 35.046 22.165 1.00 0.00 C ATOM 1093 O GLU A 65 9.098 34.001 21.541 1.00 0.00 O ATOM 1094 CB GLU A 65 8.569 37.424 21.466 1.00 0.00 C ATOM 1095 CG GLU A 65 7.708 37.133 20.248 1.00 0.00 C ATOM 1096 CD GLU A 65 6.868 38.324 19.830 1.00 0.00 C ATOM 1097 OE1 GLU A 65 6.822 39.313 20.592 1.00 0.00 O ATOM 1098 OE2 GLU A 65 6.256 38.268 18.743 1.00 0.00 O ATOM 0 H GLU A 65 10.376 35.195 20.172 1.00 0.00 H new ATOM 0 HA GLU A 65 10.245 36.665 22.576 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.924 37.538 22.337 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.080 38.376 21.321 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.348 36.835 19.418 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.053 36.289 20.464 1.00 0.00 H new ATOM 1105 N TRP A 66 8.106 35.125 23.218 1.00 0.00 N ATOM 1106 CA TRP A 66 7.380 33.961 23.714 1.00 0.00 C ATOM 1107 C TRP A 66 5.931 33.979 23.237 1.00 0.00 C ATOM 1108 O TRP A 66 5.131 34.799 23.688 1.00 0.00 O ATOM 1109 CB TRP A 66 7.426 33.918 25.242 1.00 0.00 C ATOM 1110 CG TRP A 66 8.786 33.600 25.787 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.744 34.494 26.172 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.339 32.298 26.004 1.00 0.00 C ATOM 1113 NE1 TRP A 66 10.859 33.825 26.616 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.635 32.477 26.524 1.00 0.00 C ATOM 1115 CE3 TRP A 66 8.864 30.998 25.813 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.461 31.405 26.852 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 9.684 29.934 26.138 1.00 0.00 C ATOM 1118 CH2 TRP A 66 10.970 30.143 26.654 1.00 0.00 C ATOM 0 H TRP A 66 7.939 35.982 23.745 1.00 0.00 H new ATOM 0 HA TRP A 66 7.862 33.067 23.318 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.101 34.881 25.635 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.716 33.172 25.599 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.640 35.568 26.133 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.715 34.262 26.959 1.00 0.00 H new ATOM 0 HE3 TRP A 66 7.873 30.828 25.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.453 31.564 27.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 9.328 28.925 25.992 1.00 0.00 H new ATOM 0 HH2 TRP A 66 11.586 29.291 26.900 1.00 0.00 H new ATOM 1129 N ILE A 67 5.602 33.072 22.324 1.00 0.00 N ATOM 1130 CA ILE A 67 4.249 32.985 21.788 1.00 0.00 C ATOM 1131 C ILE A 67 3.502 31.791 22.374 1.00 0.00 C ATOM 1132 O ILE A 67 4.113 30.819 22.821 1.00 0.00 O ATOM 1133 CB ILE A 67 4.259 32.867 20.253 1.00 0.00 C ATOM 1134 CG1 ILE A 67 5.037 31.622 19.820 1.00 0.00 C ATOM 1135 CG2 ILE A 67 4.860 34.117 19.629 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.758 31.202 18.394 1.00 0.00 C ATOM 0 H ILE A 67 6.253 32.387 21.940 1.00 0.00 H new ATOM 0 HA ILE A 67 3.737 33.905 22.070 1.00 0.00 H new ATOM 0 HB ILE A 67 3.231 32.769 19.905 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.104 31.813 19.932 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.789 30.798 20.488 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.860 34.018 18.544 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.268 34.987 19.914 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.884 34.244 19.982 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.343 30.314 18.155 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.697 30.979 18.281 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.033 32.010 17.716 1.00 0.00 H new ATOM 1148 N THR A 68 2.175 31.870 22.368 1.00 0.00 N ATOM 1149 CA THR A 68 1.344 30.796 22.898 1.00 0.00 C ATOM 1150 C THR A 68 0.765 29.943 21.775 1.00 0.00 C ATOM 1151 O THR A 68 0.950 30.244 20.595 1.00 0.00 O ATOM 1152 CB THR A 68 0.188 31.351 23.753 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.185 32.653 23.288 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.588 31.426 25.219 1.00 0.00 C ATOM 0 H THR A 68 1.653 32.666 22.002 1.00 0.00 H new ATOM 0 HA THR A 68 1.987 30.179 23.525 1.00 0.00 H new ATOM 0 HB THR A 68 -0.662 30.675 23.658 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.921 32.997 23.836 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.243 31.821 25.803 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.843 30.429 25.578 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.451 32.082 25.327 1.00 0.00 H new ATOM 1162 N THR A 69 0.064 28.878 22.148 1.00 0.00 N ATOM 1163 CA THR A 69 -0.541 27.981 21.172 1.00 0.00 C ATOM 1164 C THR A 69 -1.449 28.743 20.213 1.00 0.00 C ATOM 1165 O THR A 69 -1.434 28.502 19.006 1.00 0.00 O ATOM 1166 CB THR A 69 -1.358 26.870 21.860 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.471 27.440 22.556 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.491 26.086 22.834 1.00 0.00 C ATOM 0 H THR A 69 -0.099 28.615 23.120 1.00 0.00 H new ATOM 0 HA THR A 69 0.276 27.527 20.611 1.00 0.00 H new ATOM 0 HB THR A 69 -1.722 26.188 21.092 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.986 26.727 22.989 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.089 25.307 23.308 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.339 25.629 22.296 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.101 26.759 23.598 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.236 29.663 20.758 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.150 30.463 19.949 1.00 0.00 C ATOM 1178 C ASP A 70 -2.379 31.395 19.020 1.00 0.00 C ATOM 1179 O ASP A 70 -2.948 31.977 18.097 1.00 0.00 O ATOM 1180 CB ASP A 70 -4.083 31.276 20.849 1.00 0.00 C ATOM 1181 CG ASP A 70 -5.222 30.443 21.404 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -6.165 30.146 20.642 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -5.170 30.090 22.601 1.00 0.00 O ATOM 0 H ASP A 70 -2.260 29.874 21.756 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.746 29.784 19.340 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.510 31.699 21.674 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.491 32.113 20.283 1.00 0.00 H new ATOM 1188 N ARG A 71 -1.081 31.533 19.272 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.233 32.397 18.460 1.00 0.00 C ATOM 1190 C ARG A 71 0.549 31.582 17.434 1.00 0.00 C ATOM 1191 O ARG A 71 1.323 32.132 16.649 1.00 0.00 O ATOM 1192 CB ARG A 71 0.734 33.181 19.349 1.00 0.00 C ATOM 1193 CG ARG A 71 0.057 34.254 20.186 1.00 0.00 C ATOM 1194 CD ARG A 71 1.008 35.398 20.500 1.00 0.00 C ATOM 1195 NE ARG A 71 0.299 36.589 20.959 1.00 0.00 N ATOM 1196 CZ ARG A 71 0.906 37.720 21.301 1.00 0.00 C ATOM 1197 NH1 ARG A 71 2.227 37.814 21.234 1.00 0.00 N ATOM 1198 NH2 ARG A 71 0.192 38.761 21.709 1.00 0.00 N ATOM 0 H ARG A 71 -0.594 31.058 20.032 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.876 33.098 17.928 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.249 32.486 20.012 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.494 33.647 18.722 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.813 34.638 19.653 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.307 33.816 21.116 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.717 35.081 21.265 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.588 35.642 19.610 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.718 36.550 21.020 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.780 37.017 20.919 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.690 38.684 21.497 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.824 38.694 21.760 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.660 39.629 21.971 1.00 0.00 H new ATOM 1212 N ILE A 72 0.343 30.269 17.448 1.00 0.00 N ATOM 1213 CA ILE A 72 1.029 29.379 16.519 1.00 0.00 C ATOM 1214 C ILE A 72 0.128 29.008 15.346 1.00 0.00 C ATOM 1215 O ILE A 72 -1.078 28.827 15.511 1.00 0.00 O ATOM 1216 CB ILE A 72 1.500 28.090 17.218 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.459 28.426 18.362 1.00 0.00 C ATOM 1218 CG2 ILE A 72 2.166 27.158 16.218 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.551 27.340 19.411 1.00 0.00 C ATOM 0 H ILE A 72 -0.293 29.798 18.092 1.00 0.00 H new ATOM 0 HA ILE A 72 1.899 29.920 16.148 1.00 0.00 H new ATOM 0 HB ILE A 72 0.631 27.582 17.635 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.452 28.608 17.951 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.135 29.352 18.837 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.493 26.252 16.727 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.455 26.897 15.434 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.028 27.656 15.774 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.248 27.646 20.191 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.567 27.173 19.849 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.904 26.418 18.950 1.00 0.00 H new ATOM 1231 N ASN A 73 0.722 28.895 14.163 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.027 28.544 12.962 1.00 0.00 C ATOM 1233 C ASN A 73 0.136 27.063 12.632 1.00 0.00 C ATOM 1234 O ASN A 73 1.180 26.638 12.135 1.00 0.00 O ATOM 1235 CB ASN A 73 0.437 29.396 11.779 1.00 0.00 C ATOM 1236 CG ASN A 73 -0.578 29.423 10.653 1.00 0.00 C ATOM 1237 OD1 ASN A 73 -1.660 28.846 10.763 1.00 0.00 O ATOM 1238 ND2 ASN A 73 -0.232 30.096 9.561 1.00 0.00 N ATOM 0 H ASN A 73 1.720 29.041 14.010 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.082 28.741 13.152 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.625 30.414 12.120 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.383 29.006 11.403 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.874 30.149 8.770 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.675 30.559 9.514 1.00 0.00 H new ATOM 1245 N LEU A 74 -0.901 26.283 12.912 1.00 0.00 N ATOM 1246 CA LEU A 74 -0.874 24.849 12.645 1.00 0.00 C ATOM 1247 C LEU A 74 -1.507 24.534 11.293 1.00 0.00 C ATOM 1248 O LEU A 74 -1.987 23.424 11.064 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.607 24.090 13.753 1.00 0.00 C ATOM 1250 CG LEU A 74 -0.947 24.114 15.132 1.00 0.00 C ATOM 1251 CD1 LEU A 74 -1.972 23.827 16.219 1.00 0.00 C ATOM 1252 CD2 LEU A 74 0.195 23.110 15.195 1.00 0.00 C ATOM 0 H LEU A 74 -1.772 26.619 13.324 1.00 0.00 H new ATOM 0 HA LEU A 74 0.168 24.529 12.621 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.611 24.503 13.846 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.717 23.051 13.443 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.538 25.110 15.300 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.484 23.848 17.194 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.756 24.584 16.189 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.411 22.843 16.054 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.653 23.141 16.184 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.190 22.108 15.005 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.942 23.360 14.441 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.502 25.518 10.400 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.072 25.346 9.069 1.00 0.00 C ATOM 1266 C ASP A 75 -0.978 25.077 8.040 1.00 0.00 C ATOM 1267 O ASP A 75 -1.227 24.471 6.998 1.00 0.00 O ATOM 1268 CB ASP A 75 -2.872 26.586 8.670 1.00 0.00 C ATOM 1269 CG ASP A 75 -4.029 26.256 7.747 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -3.778 25.707 6.654 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -5.186 26.547 8.118 1.00 0.00 O ATOM 0 H ASP A 75 -1.109 26.443 10.574 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.740 24.485 9.095 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.254 27.073 9.567 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.210 27.299 8.178 1.00 0.00 H new ATOM 1276 N LYS A 76 0.233 25.533 8.339 1.00 0.00 N ATOM 1277 CA LYS A 76 1.366 25.343 7.441 1.00 0.00 C ATOM 1278 C LYS A 76 2.236 24.178 7.902 1.00 0.00 C ATOM 1279 O LYS A 76 2.350 23.912 9.098 1.00 0.00 O ATOM 1280 CB LYS A 76 2.205 26.621 7.368 1.00 0.00 C ATOM 1281 CG LYS A 76 1.906 27.476 6.148 1.00 0.00 C ATOM 1282 CD LYS A 76 1.930 28.957 6.486 1.00 0.00 C ATOM 1283 CE LYS A 76 1.041 29.757 5.546 1.00 0.00 C ATOM 1284 NZ LYS A 76 1.347 29.473 4.117 1.00 0.00 N ATOM 0 H LYS A 76 0.456 26.037 9.197 1.00 0.00 H new ATOM 0 HA LYS A 76 0.977 25.113 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.031 27.212 8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.261 26.352 7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.639 27.268 5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.928 27.209 5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.598 29.102 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.953 29.329 6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.004 29.522 5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.172 30.821 5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.858 30.165 3.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.373 29.541 3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.024 28.514 3.877 1.00 0.00 H new ATOM 1298 N GLU A 77 2.847 23.487 6.944 1.00 0.00 N ATOM 1299 CA GLU A 77 3.707 22.351 7.254 1.00 0.00 C ATOM 1300 C GLU A 77 4.757 22.730 8.294 1.00 0.00 C ATOM 1301 O GLU A 77 5.067 23.907 8.479 1.00 0.00 O ATOM 1302 CB GLU A 77 4.392 21.841 5.984 1.00 0.00 C ATOM 1303 CG GLU A 77 3.422 21.466 4.877 1.00 0.00 C ATOM 1304 CD GLU A 77 4.118 21.192 3.558 1.00 0.00 C ATOM 1305 OE1 GLU A 77 4.700 22.139 2.988 1.00 0.00 O ATOM 1306 OE2 GLU A 77 4.082 20.032 3.097 1.00 0.00 O ATOM 0 H GLU A 77 2.762 23.694 5.949 1.00 0.00 H new ATOM 0 HA GLU A 77 3.083 21.558 7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.072 22.609 5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.999 20.971 6.233 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.859 20.582 5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.701 22.272 4.742 1.00 0.00 H new ATOM 1313 N VAL A 78 5.300 21.723 8.972 1.00 0.00 N ATOM 1314 CA VAL A 78 6.315 21.950 9.994 1.00 0.00 C ATOM 1315 C VAL A 78 7.667 21.398 9.557 1.00 0.00 C ATOM 1316 O VAL A 78 7.746 20.336 8.937 1.00 0.00 O ATOM 1317 CB VAL A 78 5.917 21.302 11.333 1.00 0.00 C ATOM 1318 CG1 VAL A 78 7.022 21.481 12.363 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.606 21.886 11.839 1.00 0.00 C ATOM 0 H VAL A 78 5.054 20.743 8.832 1.00 0.00 H new ATOM 0 HA VAL A 78 6.393 23.029 10.130 1.00 0.00 H new ATOM 0 HB VAL A 78 5.774 20.234 11.171 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.722 21.017 13.302 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.936 21.011 12.001 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.200 22.544 12.524 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.340 21.417 12.786 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.719 22.960 11.986 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.819 21.700 11.108 1.00 0.00 H new ATOM 1329 N LEU A 79 8.730 22.125 9.884 1.00 0.00 N ATOM 1330 CA LEU A 79 10.081 21.709 9.525 1.00 0.00 C ATOM 1331 C LEU A 79 10.782 21.055 10.712 1.00 0.00 C ATOM 1332 O LEU A 79 10.899 21.652 11.783 1.00 0.00 O ATOM 1333 CB LEU A 79 10.894 22.910 9.037 1.00 0.00 C ATOM 1334 CG LEU A 79 11.248 22.920 7.550 1.00 0.00 C ATOM 1335 CD1 LEU A 79 12.284 21.850 7.241 1.00 0.00 C ATOM 1336 CD2 LEU A 79 10.001 22.718 6.702 1.00 0.00 C ATOM 0 H LEU A 79 8.682 23.005 10.397 1.00 0.00 H new ATOM 0 HA LEU A 79 10.008 20.977 8.721 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.335 23.818 9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.820 22.954 9.611 1.00 0.00 H new ATOM 0 HG LEU A 79 11.675 23.892 7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.524 21.872 6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.187 22.040 7.821 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.884 20.870 7.503 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.273 22.728 5.647 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.544 21.760 6.950 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.291 23.521 6.901 1.00 0.00 H new ATOM 1348 N TYR A 80 11.249 19.827 10.513 1.00 0.00 N ATOM 1349 CA TYR A 80 11.938 19.092 11.567 1.00 0.00 C ATOM 1350 C TYR A 80 13.399 18.851 11.197 1.00 0.00 C ATOM 1351 O TYR A 80 13.784 18.888 10.028 1.00 0.00 O ATOM 1352 CB TYR A 80 11.239 17.757 11.828 1.00 0.00 C ATOM 1353 CG TYR A 80 10.019 17.875 12.713 1.00 0.00 C ATOM 1354 CD1 TYR A 80 10.134 17.834 14.097 1.00 0.00 C ATOM 1355 CD2 TYR A 80 8.751 18.027 12.165 1.00 0.00 C ATOM 1356 CE1 TYR A 80 9.022 17.941 14.910 1.00 0.00 C ATOM 1357 CE2 TYR A 80 7.634 18.136 12.970 1.00 0.00 C ATOM 1358 CZ TYR A 80 7.774 18.092 14.341 1.00 0.00 C ATOM 1359 OH TYR A 80 6.663 18.199 15.146 1.00 0.00 O ATOM 0 H TYR A 80 11.163 19.320 9.632 1.00 0.00 H new ATOM 0 HA TYR A 80 11.906 19.694 12.475 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.945 17.318 10.875 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.948 17.070 12.290 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.110 17.716 14.545 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.637 18.060 11.092 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.129 17.907 15.984 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.656 18.255 12.528 1.00 0.00 H new ATOM 0 HH TYR A 80 6.917 18.603 16.002 1.00 0.00 H new ATOM 1369 N PRO A 81 14.232 18.597 12.216 1.00 0.00 N ATOM 1370 CA PRO A 81 15.663 18.343 12.025 1.00 0.00 C ATOM 1371 C PRO A 81 15.928 17.003 11.346 1.00 0.00 C ATOM 1372 O PRO A 81 15.036 16.162 11.240 1.00 0.00 O ATOM 1373 CB PRO A 81 16.217 18.338 13.452 1.00 0.00 C ATOM 1374 CG PRO A 81 15.057 17.960 14.307 1.00 0.00 C ATOM 1375 CD PRO A 81 13.842 18.538 13.635 1.00 0.00 C ATOM 0 HA PRO A 81 16.126 19.087 11.377 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.035 17.625 13.557 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.610 19.317 13.728 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.975 16.877 14.397 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.170 18.356 15.316 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.963 17.910 13.784 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.598 19.526 14.026 1.00 0.00 H new ATOM 1383 N LYS A 82 17.160 16.811 10.887 1.00 0.00 N ATOM 1384 CA LYS A 82 17.545 15.573 10.220 1.00 0.00 C ATOM 1385 C LYS A 82 18.495 14.758 11.091 1.00 0.00 C ATOM 1386 O LYS A 82 19.587 15.214 11.432 1.00 0.00 O ATOM 1387 CB LYS A 82 18.206 15.879 8.874 1.00 0.00 C ATOM 1388 CG LYS A 82 18.617 14.638 8.102 1.00 0.00 C ATOM 1389 CD LYS A 82 17.895 14.546 6.768 1.00 0.00 C ATOM 1390 CE LYS A 82 18.133 13.202 6.097 1.00 0.00 C ATOM 1391 NZ LYS A 82 18.203 13.327 4.615 1.00 0.00 N ATOM 0 H LYS A 82 17.910 17.498 10.965 1.00 0.00 H new ATOM 0 HA LYS A 82 16.643 14.986 10.050 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.517 16.464 8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.086 16.499 9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.694 14.653 7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 82 18.400 13.750 8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.826 14.693 6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.237 15.347 6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 82 19.062 12.770 6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.331 12.515 6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.400 12.395 4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.296 13.684 4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.963 13.989 4.358 1.00 0.00 H new ATOM 1405 N LEU A 83 18.073 13.549 11.448 1.00 0.00 N ATOM 1406 CA LEU A 83 18.887 12.669 12.278 1.00 0.00 C ATOM 1407 C LEU A 83 19.300 11.420 11.506 1.00 0.00 C ATOM 1408 O LEU A 83 18.468 10.569 11.190 1.00 0.00 O ATOM 1409 CB LEU A 83 18.119 12.272 13.540 1.00 0.00 C ATOM 1410 CG LEU A 83 18.277 13.203 14.743 1.00 0.00 C ATOM 1411 CD1 LEU A 83 19.736 13.290 15.163 1.00 0.00 C ATOM 1412 CD2 LEU A 83 17.728 14.586 14.422 1.00 0.00 C ATOM 0 H LEU A 83 17.172 13.157 11.175 1.00 0.00 H new ATOM 0 HA LEU A 83 19.788 13.211 12.564 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.060 12.209 13.292 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.437 11.272 13.835 1.00 0.00 H new ATOM 0 HG LEU A 83 17.706 12.791 15.575 1.00 0.00 H new ATOM 0 HD11 LEU A 83 19.829 13.957 16.020 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.096 12.298 15.434 1.00 0.00 H new ATOM 0 HD13 LEU A 83 20.330 13.678 14.336 1.00 0.00 H new ATOM 0 HD21 LEU A 83 17.848 15.236 15.289 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.272 15.006 13.576 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.670 14.508 14.171 1.00 0.00 H new ATOM 1424 N LYS A 84 20.590 11.315 11.207 1.00 0.00 N ATOM 1425 CA LYS A 84 21.116 10.169 10.475 1.00 0.00 C ATOM 1426 C LYS A 84 22.381 9.634 11.138 1.00 0.00 C ATOM 1427 O LYS A 84 23.490 10.055 10.811 1.00 0.00 O ATOM 1428 CB LYS A 84 21.412 10.556 9.024 1.00 0.00 C ATOM 1429 CG LYS A 84 20.222 10.391 8.096 1.00 0.00 C ATOM 1430 CD LYS A 84 19.858 8.928 7.909 1.00 0.00 C ATOM 1431 CE LYS A 84 18.978 8.723 6.686 1.00 0.00 C ATOM 1432 NZ LYS A 84 19.754 8.834 5.420 1.00 0.00 N ATOM 0 H LYS A 84 21.292 12.011 11.461 1.00 0.00 H new ATOM 0 HA LYS A 84 20.360 9.384 10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 84 21.744 11.594 8.994 1.00 0.00 H new ATOM 0 HB3 LYS A 84 22.237 9.946 8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 84 19.366 10.931 8.501 1.00 0.00 H new ATOM 0 HG3 LYS A 84 20.450 10.836 7.128 1.00 0.00 H new ATOM 0 HD2 LYS A 84 20.768 8.336 7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 84 19.339 8.565 8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.506 7.742 6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 84 18.177 9.462 6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 19.175 8.492 4.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 20.012 9.828 5.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 20.618 8.260 5.491 1.00 0.00 H new ATOM 1446 N ALA A 85 22.206 8.703 12.070 1.00 0.00 N ATOM 1447 CA ALA A 85 23.334 8.107 12.776 1.00 0.00 C ATOM 1448 C ALA A 85 23.755 6.793 12.128 1.00 0.00 C ATOM 1449 O ALA A 85 23.210 5.733 12.438 1.00 0.00 O ATOM 1450 CB ALA A 85 22.984 7.888 14.241 1.00 0.00 C ATOM 0 H ALA A 85 21.294 8.345 12.354 1.00 0.00 H new ATOM 0 HA ALA A 85 24.175 8.798 12.714 1.00 0.00 H new ATOM 0 HB1 ALA A 85 23.835 7.443 14.756 1.00 0.00 H new ATOM 0 HB2 ALA A 85 22.740 8.844 14.704 1.00 0.00 H new ATOM 0 HB3 ALA A 85 22.126 7.220 14.314 1.00 0.00 H new ATOM 1456 N THR A 86 24.729 6.868 11.226 1.00 0.00 N ATOM 1457 CA THR A 86 25.222 5.684 10.533 1.00 0.00 C ATOM 1458 C THR A 86 26.738 5.574 10.645 1.00 0.00 C ATOM 1459 O THR A 86 27.464 6.514 10.322 1.00 0.00 O ATOM 1460 CB THR A 86 24.827 5.700 9.045 1.00 0.00 C ATOM 1461 OG1 THR A 86 24.969 7.022 8.514 1.00 0.00 O ATOM 1462 CG2 THR A 86 23.394 5.224 8.860 1.00 0.00 C ATOM 0 H THR A 86 25.192 7.737 10.958 1.00 0.00 H new ATOM 0 HA THR A 86 24.762 4.821 11.013 1.00 0.00 H new ATOM 0 HB THR A 86 25.490 5.021 8.509 1.00 0.00 H new ATOM 0 HG1 THR A 86 24.717 7.023 7.567 1.00 0.00 H new ATOM 0 HG21 THR A 86 23.138 5.244 7.801 1.00 0.00 H new ATOM 0 HG22 THR A 86 23.297 4.206 9.238 1.00 0.00 H new ATOM 0 HG23 THR A 86 22.719 5.880 9.409 1.00 0.00 H new ATOM 1470 N ASP A 87 27.211 4.419 11.102 1.00 0.00 N ATOM 1471 CA ASP A 87 28.642 4.185 11.253 1.00 0.00 C ATOM 1472 C ASP A 87 29.032 2.821 10.693 1.00 0.00 C ATOM 1473 O ASP A 87 29.903 2.721 9.830 1.00 0.00 O ATOM 1474 CB ASP A 87 29.042 4.279 12.727 1.00 0.00 C ATOM 1475 CG ASP A 87 30.538 4.134 12.931 1.00 0.00 C ATOM 1476 OD1 ASP A 87 31.303 4.712 12.132 1.00 0.00 O ATOM 1477 OD2 ASP A 87 30.942 3.441 13.888 1.00 0.00 O ATOM 0 H ASP A 87 26.624 3.631 11.374 1.00 0.00 H new ATOM 0 HA ASP A 87 29.173 4.953 10.690 1.00 0.00 H new ATOM 0 HB2 ASP A 87 28.715 5.238 13.129 1.00 0.00 H new ATOM 0 HB3 ASP A 87 28.524 3.503 13.291 1.00 0.00 H new ATOM 1482 N GLU A 88 28.381 1.774 11.191 1.00 0.00 N ATOM 1483 CA GLU A 88 28.662 0.416 10.740 1.00 0.00 C ATOM 1484 C GLU A 88 27.552 -0.095 9.826 1.00 0.00 C ATOM 1485 O GLU A 88 26.744 -0.934 10.223 1.00 0.00 O ATOM 1486 CB GLU A 88 28.821 -0.520 11.940 1.00 0.00 C ATOM 1487 CG GLU A 88 29.336 -1.901 11.570 1.00 0.00 C ATOM 1488 CD GLU A 88 29.250 -2.884 12.722 1.00 0.00 C ATOM 1489 OE1 GLU A 88 28.174 -3.490 12.906 1.00 0.00 O ATOM 1490 OE2 GLU A 88 30.259 -3.045 13.440 1.00 0.00 O ATOM 0 H GLU A 88 27.656 1.840 11.906 1.00 0.00 H new ATOM 0 HA GLU A 88 29.594 0.433 10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 88 29.506 -0.066 12.656 1.00 0.00 H new ATOM 0 HB3 GLU A 88 27.858 -0.622 12.440 1.00 0.00 H new ATOM 0 HG2 GLU A 88 28.762 -2.285 10.726 1.00 0.00 H new ATOM 0 HG3 GLU A 88 30.372 -1.822 11.241 1.00 0.00 H new ATOM 1497 N ASP A 89 27.520 0.419 8.602 1.00 0.00 N ATOM 1498 CA ASP A 89 26.510 0.016 7.630 1.00 0.00 C ATOM 1499 C ASP A 89 27.155 -0.668 6.428 1.00 0.00 C ATOM 1500 O ASP A 89 27.420 -0.032 5.408 1.00 0.00 O ATOM 1501 CB ASP A 89 25.701 1.229 7.169 1.00 0.00 C ATOM 1502 CG ASP A 89 24.529 0.843 6.289 1.00 0.00 C ATOM 1503 OD1 ASP A 89 23.956 -0.245 6.507 1.00 0.00 O ATOM 1504 OD2 ASP A 89 24.183 1.630 5.383 1.00 0.00 O ATOM 0 H ASP A 89 28.181 1.115 8.259 1.00 0.00 H new ATOM 0 HA ASP A 89 25.840 -0.695 8.113 1.00 0.00 H new ATOM 0 HB2 ASP A 89 25.334 1.770 8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 89 26.353 1.910 6.622 1.00 0.00 H new TER 1509 ASP A 89