USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 881 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 52 SER OG : rot 7:sc= -4.64! USER MOD Set 1.2: A 64 MET CE :methyl -139:sc= -5.79! (180deg=-11.1!) USER MOD Set 2.1: A 32 MET CE :methyl -128:sc= -3.4! (180deg=-6.55!) USER MOD Set 2.2: A 84 SER OG : rot -35:sc= -0.51 USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.00754 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.53) USER MOD Single : A 12 SER OG : rot -170:sc= -1.59 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 14 MET CE :methyl 156:sc= -0.353 (180deg=-1.68!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -120:sc= -0.41 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= 0.224 (180deg=0.0819) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 45 ASN : amide:sc=-0.00842 X(o=-0.0084,f=0.15) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0456 USER MOD Single : A 50 CYS SG : rot 180:sc= -0.08 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 156:sc= -4.87! (180deg=-6.75!) USER MOD Single : A 61 ASN : amide:sc= -0.947 K(o=-0.95,f=-1.5) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= -0.0276 (180deg=-0.264) USER MOD Single : A 71 ASN : amide:sc=-0.00218 X(o=-0.0022,f=-0.0046) USER MOD Single : A 76 SER OG : rot -68:sc= 0.212 USER MOD Single : A 81 GLN : amide:sc= -1.03 X(o=-1,f=-1.3) USER MOD Single : A 86 SER OG : rot 156:sc= -0.0142 USER MOD Single : A 87 THR OG1 : rot -52:sc= 0.0678 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0.00197 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HE2:sc= -2.58 K(o=-2.6,f=-5.4!) USER MOD Single : A 100 SER OG : rot 140:sc= 1.01 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.209 13.486 -24.422 1.00 0.00 N ATOM 2 CA GLY A 1 -13.661 14.335 -23.378 1.00 0.00 C ATOM 3 C GLY A 1 -12.532 13.624 -22.629 1.00 0.00 C ATOM 4 O GLY A 1 -12.629 12.432 -22.340 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.225 13.679 -24.529 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.723 13.683 -25.320 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.072 12.488 -24.165 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.286 15.260 -23.816 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.449 14.611 -22.678 1.00 0.00 H new ATOM 8 N SER A 2 -11.488 14.385 -22.336 1.00 0.00 N ATOM 9 CA SER A 2 -10.342 13.843 -21.626 1.00 0.00 C ATOM 10 C SER A 2 -9.398 14.974 -21.215 1.00 0.00 C ATOM 11 O SER A 2 -9.246 15.956 -21.940 1.00 0.00 O ATOM 12 CB SER A 2 -9.599 12.816 -22.483 1.00 0.00 C ATOM 13 OG SER A 2 -8.628 12.095 -21.730 1.00 0.00 O ATOM 0 H SER A 2 -11.412 15.373 -22.577 1.00 0.00 H new ATOM 0 HA SER A 2 -10.703 13.336 -20.731 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.316 12.117 -22.914 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.109 13.324 -23.314 1.00 0.00 H new ATOM 0 HG SER A 2 -8.177 11.448 -22.312 1.00 0.00 H new ATOM 19 N SER A 3 -8.788 14.799 -20.051 1.00 0.00 N ATOM 20 CA SER A 3 -7.863 15.793 -19.535 1.00 0.00 C ATOM 21 C SER A 3 -7.024 15.190 -18.406 1.00 0.00 C ATOM 22 O SER A 3 -7.327 14.104 -17.915 1.00 0.00 O ATOM 23 CB SER A 3 -8.608 17.033 -19.038 1.00 0.00 C ATOM 24 OG SER A 3 -8.124 18.227 -19.647 1.00 0.00 O ATOM 0 H SER A 3 -8.917 13.984 -19.451 1.00 0.00 H new ATOM 0 HA SER A 3 -7.203 16.100 -20.346 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.672 16.925 -19.248 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.503 17.110 -17.956 1.00 0.00 H new ATOM 0 HG SER A 3 -8.626 18.996 -19.305 1.00 0.00 H new ATOM 30 N GLY A 4 -5.986 15.922 -18.027 1.00 0.00 N ATOM 31 CA GLY A 4 -5.102 15.473 -16.966 1.00 0.00 C ATOM 32 C GLY A 4 -4.788 16.613 -15.995 1.00 0.00 C ATOM 33 O GLY A 4 -5.168 17.758 -16.233 1.00 0.00 O ATOM 0 H GLY A 4 -5.738 16.823 -18.436 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.566 14.648 -16.426 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.176 15.092 -17.396 1.00 0.00 H new ATOM 37 N SER A 5 -4.096 16.260 -14.921 1.00 0.00 N ATOM 38 CA SER A 5 -3.726 17.239 -13.914 1.00 0.00 C ATOM 39 C SER A 5 -2.257 17.062 -13.526 1.00 0.00 C ATOM 40 O SER A 5 -1.615 16.096 -13.935 1.00 0.00 O ATOM 41 CB SER A 5 -4.619 17.121 -12.677 1.00 0.00 C ATOM 42 OG SER A 5 -4.684 18.343 -11.947 1.00 0.00 O ATOM 0 H SER A 5 -3.782 15.309 -14.727 1.00 0.00 H new ATOM 0 HA SER A 5 -3.866 18.234 -14.337 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.623 16.827 -12.982 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.238 16.331 -12.029 1.00 0.00 H new ATOM 0 HG SER A 5 -5.265 18.227 -11.166 1.00 0.00 H new ATOM 48 N SER A 6 -1.766 18.011 -12.742 1.00 0.00 N ATOM 49 CA SER A 6 -0.384 17.972 -12.295 1.00 0.00 C ATOM 50 C SER A 6 -0.319 18.170 -10.779 1.00 0.00 C ATOM 51 O SER A 6 -1.316 18.525 -10.152 1.00 0.00 O ATOM 52 CB SER A 6 0.455 19.035 -13.006 1.00 0.00 C ATOM 53 OG SER A 6 1.737 18.540 -13.381 1.00 0.00 O ATOM 0 H SER A 6 -2.301 18.812 -12.405 1.00 0.00 H new ATOM 0 HA SER A 6 0.029 16.995 -12.545 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.074 19.380 -13.894 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.577 19.898 -12.352 1.00 0.00 H new ATOM 0 HG SER A 6 2.241 19.248 -13.834 1.00 0.00 H new ATOM 59 N GLY A 7 0.865 17.932 -10.234 1.00 0.00 N ATOM 60 CA GLY A 7 1.073 18.080 -8.803 1.00 0.00 C ATOM 61 C GLY A 7 1.799 16.863 -8.226 1.00 0.00 C ATOM 62 O GLY A 7 2.328 16.040 -8.972 1.00 0.00 O ATOM 0 H GLY A 7 1.690 17.638 -10.757 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.654 18.981 -8.608 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.112 18.206 -8.303 1.00 0.00 H new ATOM 66 N ASP A 8 1.802 16.788 -6.904 1.00 0.00 N ATOM 67 CA ASP A 8 2.455 15.685 -6.218 1.00 0.00 C ATOM 68 C ASP A 8 1.502 14.489 -6.163 1.00 0.00 C ATOM 69 O ASP A 8 0.649 14.411 -5.280 1.00 0.00 O ATOM 70 CB ASP A 8 2.817 16.068 -4.782 1.00 0.00 C ATOM 71 CG ASP A 8 3.757 17.268 -4.650 1.00 0.00 C ATOM 72 OD1 ASP A 8 3.828 18.043 -5.627 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.383 17.382 -3.574 1.00 0.00 O ATOM 0 H ASP A 8 1.363 17.473 -6.289 1.00 0.00 H new ATOM 0 HA ASP A 8 3.364 15.437 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.898 16.284 -4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.280 15.208 -4.298 1.00 0.00 H new ATOM 78 N LYS A 9 1.680 13.587 -7.117 1.00 0.00 N ATOM 79 CA LYS A 9 0.847 12.399 -7.188 1.00 0.00 C ATOM 80 C LYS A 9 1.730 11.178 -7.455 1.00 0.00 C ATOM 81 O LYS A 9 1.846 10.729 -8.595 1.00 0.00 O ATOM 82 CB LYS A 9 -0.269 12.588 -8.217 1.00 0.00 C ATOM 83 CG LYS A 9 -1.005 13.911 -7.992 1.00 0.00 C ATOM 84 CD LYS A 9 -2.497 13.767 -8.298 1.00 0.00 C ATOM 85 CE LYS A 9 -2.863 14.494 -9.594 1.00 0.00 C ATOM 86 NZ LYS A 9 -4.333 14.598 -9.732 1.00 0.00 N ATOM 0 H LYS A 9 2.389 13.655 -7.847 1.00 0.00 H new ATOM 0 HA LYS A 9 0.345 12.228 -6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.152 12.568 -9.222 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.974 11.760 -8.150 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.871 14.235 -6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.573 14.684 -8.627 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.754 12.711 -8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.082 14.171 -7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.420 15.490 -9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.449 13.958 -10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.585 14.636 -10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.782 13.769 -9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.666 15.462 -9.259 1.00 0.00 H new ATOM 100 N PRO A 10 2.345 10.662 -6.358 1.00 0.00 N ATOM 101 CA PRO A 10 3.214 9.502 -6.463 1.00 0.00 C ATOM 102 C PRO A 10 2.398 8.222 -6.649 1.00 0.00 C ATOM 103 O PRO A 10 2.929 7.200 -7.082 1.00 0.00 O ATOM 104 CB PRO A 10 4.030 9.505 -5.180 1.00 0.00 C ATOM 105 CG PRO A 10 3.270 10.388 -4.204 1.00 0.00 C ATOM 106 CD PRO A 10 2.231 11.168 -4.993 1.00 0.00 C ATOM 0 HA PRO A 10 3.867 9.542 -7.335 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.142 8.495 -4.786 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.034 9.892 -5.356 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.790 9.782 -3.435 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.952 11.068 -3.694 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.229 11.009 -4.594 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.424 12.240 -4.951 1.00 0.00 H new ATOM 114 N LEU A 11 1.119 8.318 -6.314 1.00 0.00 N ATOM 115 CA LEU A 11 0.225 7.180 -6.440 1.00 0.00 C ATOM 116 C LEU A 11 -0.770 7.441 -7.573 1.00 0.00 C ATOM 117 O LEU A 11 -1.615 6.598 -7.868 1.00 0.00 O ATOM 118 CB LEU A 11 -0.440 6.870 -5.097 1.00 0.00 C ATOM 119 CG LEU A 11 0.506 6.540 -3.941 1.00 0.00 C ATOM 120 CD1 LEU A 11 1.626 5.603 -4.399 1.00 0.00 C ATOM 121 CD2 LEU A 11 1.053 7.816 -3.298 1.00 0.00 C ATOM 0 H LEU A 11 0.681 9.167 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 11 0.785 6.284 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.049 7.727 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.119 6.029 -5.236 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.062 6.012 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.284 5.384 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.194 4.675 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.199 6.082 -5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.723 7.553 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.601 8.393 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.226 8.413 -2.913 1.00 0.00 H new ATOM 133 N SER A 12 -0.636 8.613 -8.176 1.00 0.00 N ATOM 134 CA SER A 12 -1.512 8.996 -9.270 1.00 0.00 C ATOM 135 C SER A 12 -1.680 7.825 -10.241 1.00 0.00 C ATOM 136 O SER A 12 -0.829 7.600 -11.100 1.00 0.00 O ATOM 137 CB SER A 12 -0.971 10.223 -10.006 1.00 0.00 C ATOM 138 OG SER A 12 -1.934 11.271 -10.077 1.00 0.00 O ATOM 0 H SER A 12 0.066 9.310 -7.928 1.00 0.00 H new ATOM 0 HA SER A 12 -2.485 9.256 -8.853 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.077 10.586 -9.498 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.671 9.938 -11.014 1.00 0.00 H new ATOM 0 HG SER A 12 -1.613 11.970 -10.685 1.00 0.00 H new ATOM 144 N ASN A 13 -2.782 7.110 -10.071 1.00 0.00 N ATOM 145 CA ASN A 13 -3.072 5.968 -10.922 1.00 0.00 C ATOM 146 C ASN A 13 -2.445 4.712 -10.313 1.00 0.00 C ATOM 147 O ASN A 13 -1.707 3.994 -10.985 1.00 0.00 O ATOM 148 CB ASN A 13 -2.482 6.160 -12.321 1.00 0.00 C ATOM 149 CG ASN A 13 -3.297 5.398 -13.368 1.00 0.00 C ATOM 150 OD1 ASN A 13 -3.775 4.299 -13.141 1.00 0.00 O ATOM 151 ND2 ASN A 13 -3.428 6.042 -14.524 1.00 0.00 N ATOM 0 H ASN A 13 -3.485 7.299 -9.357 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.155 5.870 -10.998 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.465 7.221 -12.570 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.449 5.812 -12.335 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.955 5.618 -15.287 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.002 6.960 -14.647 1.00 0.00 H new ATOM 158 N MET A 14 -2.763 4.486 -9.047 1.00 0.00 N ATOM 159 CA MET A 14 -2.240 3.329 -8.340 1.00 0.00 C ATOM 160 C MET A 14 -3.159 2.932 -7.182 1.00 0.00 C ATOM 161 O MET A 14 -3.461 3.752 -6.316 1.00 0.00 O ATOM 162 CB MET A 14 -0.845 3.649 -7.798 1.00 0.00 C ATOM 163 CG MET A 14 0.219 3.466 -8.882 1.00 0.00 C ATOM 164 SD MET A 14 1.846 3.710 -8.188 1.00 0.00 S ATOM 165 CE MET A 14 1.854 2.419 -6.956 1.00 0.00 C ATOM 0 H MET A 14 -3.376 5.084 -8.493 1.00 0.00 H new ATOM 0 HA MET A 14 -2.185 2.494 -9.039 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.821 4.674 -7.429 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.622 3.000 -6.951 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.144 2.467 -9.312 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.050 4.175 -9.692 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.883 2.139 -6.729 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.367 2.778 -6.050 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.318 1.550 -7.336 1.00 0.00 H new ATOM 175 N LYS A 15 -3.577 1.676 -7.205 1.00 0.00 N ATOM 176 CA LYS A 15 -4.456 1.160 -6.168 1.00 0.00 C ATOM 177 C LYS A 15 -3.614 0.679 -4.986 1.00 0.00 C ATOM 178 O LYS A 15 -2.814 -0.246 -5.124 1.00 0.00 O ATOM 179 CB LYS A 15 -5.386 0.088 -6.739 1.00 0.00 C ATOM 180 CG LYS A 15 -6.546 0.721 -7.509 1.00 0.00 C ATOM 181 CD LYS A 15 -7.372 -0.345 -8.231 1.00 0.00 C ATOM 182 CE LYS A 15 -6.635 -0.866 -9.467 1.00 0.00 C ATOM 183 NZ LYS A 15 -7.576 -1.040 -10.596 1.00 0.00 N ATOM 0 H LYS A 15 -3.324 0.999 -7.925 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.109 1.948 -5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.824 -0.572 -7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.776 -0.529 -5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.184 1.276 -6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.158 1.438 -8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.579 -1.172 -7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.334 0.074 -8.526 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.846 -0.169 -9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.154 -1.817 -9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.060 -1.394 -11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.314 -1.722 -10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.016 -0.126 -10.825 1.00 0.00 H new ATOM 197 N ILE A 16 -3.821 1.327 -3.849 1.00 0.00 N ATOM 198 CA ILE A 16 -3.091 0.977 -2.643 1.00 0.00 C ATOM 199 C ILE A 16 -3.981 0.114 -1.746 1.00 0.00 C ATOM 200 O ILE A 16 -5.174 0.382 -1.606 1.00 0.00 O ATOM 201 CB ILE A 16 -2.559 2.235 -1.954 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.500 2.926 -2.816 1.00 0.00 C ATOM 203 CG2 ILE A 16 -2.036 1.913 -0.552 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.100 3.411 -4.137 1.00 0.00 C ATOM 0 H ILE A 16 -4.485 2.093 -3.738 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.212 0.381 -2.889 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.386 2.935 -1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.078 3.771 -2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.681 2.235 -3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.664 2.824 -0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.844 1.499 0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.227 1.186 -0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.327 3.898 -4.731 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.499 2.560 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.902 4.120 -3.934 1.00 0.00 H new ATOM 216 N LEU A 17 -3.368 -0.904 -1.161 1.00 0.00 N ATOM 217 CA LEU A 17 -4.090 -1.808 -0.281 1.00 0.00 C ATOM 218 C LEU A 17 -3.579 -1.634 1.151 1.00 0.00 C ATOM 219 O LEU A 17 -2.485 -1.114 1.365 1.00 0.00 O ATOM 220 CB LEU A 17 -3.997 -3.245 -0.797 1.00 0.00 C ATOM 221 CG LEU A 17 -5.127 -4.184 -0.370 1.00 0.00 C ATOM 222 CD1 LEU A 17 -4.823 -4.829 0.984 1.00 0.00 C ATOM 223 CD2 LEU A 17 -6.474 -3.458 -0.369 1.00 0.00 C ATOM 0 H LEU A 17 -2.379 -1.123 -1.279 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.153 -1.565 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.966 -3.218 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.051 -3.670 -0.461 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.196 -4.989 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.642 -5.491 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.899 -5.404 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.711 -4.052 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.259 -4.149 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.435 -2.620 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.688 -3.088 -1.371 1.00 0.00 H new ATOM 235 N THR A 18 -4.396 -2.079 2.094 1.00 0.00 N ATOM 236 CA THR A 18 -4.042 -1.979 3.500 1.00 0.00 C ATOM 237 C THR A 18 -4.493 -3.232 4.254 1.00 0.00 C ATOM 238 O THR A 18 -5.460 -3.882 3.861 1.00 0.00 O ATOM 239 CB THR A 18 -4.648 -0.687 4.050 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.051 -0.860 3.876 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.313 0.531 3.186 1.00 0.00 C ATOM 0 H THR A 18 -5.302 -2.510 1.912 1.00 0.00 H new ATOM 0 HA THR A 18 -2.961 -1.930 3.633 1.00 0.00 H new ATOM 0 HB THR A 18 -4.289 -0.522 5.066 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.399 -0.150 3.297 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.767 1.421 3.621 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.232 0.660 3.142 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.701 0.381 2.179 1.00 0.00 H new ATOM 249 N LEU A 19 -3.772 -3.532 5.324 1.00 0.00 N ATOM 250 CA LEU A 19 -4.086 -4.694 6.136 1.00 0.00 C ATOM 251 C LEU A 19 -3.996 -4.316 7.616 1.00 0.00 C ATOM 252 O LEU A 19 -3.609 -3.198 7.953 1.00 0.00 O ATOM 253 CB LEU A 19 -3.195 -5.876 5.749 1.00 0.00 C ATOM 254 CG LEU A 19 -3.848 -6.950 4.876 1.00 0.00 C ATOM 255 CD1 LEU A 19 -2.795 -7.884 4.277 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.916 -7.717 5.658 1.00 0.00 C ATOM 0 H LEU A 19 -2.971 -2.990 5.647 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.109 -5.022 5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.321 -5.490 5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.834 -6.348 6.663 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.350 -6.456 4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.285 -8.638 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.104 -7.307 3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.244 -8.374 5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.364 -8.474 5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.458 -8.199 6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.687 -7.025 5.996 1.00 0.00 H new ATOM 268 N GLY A 20 -4.361 -5.270 8.461 1.00 0.00 N ATOM 269 CA GLY A 20 -4.327 -5.051 9.897 1.00 0.00 C ATOM 270 C GLY A 20 -4.886 -3.672 10.255 1.00 0.00 C ATOM 271 O GLY A 20 -6.091 -3.443 10.156 1.00 0.00 O ATOM 0 H GLY A 20 -4.682 -6.196 8.178 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.907 -5.824 10.400 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.302 -5.137 10.257 1.00 0.00 H new ATOM 275 N LYS A 21 -3.985 -2.791 10.663 1.00 0.00 N ATOM 276 CA LYS A 21 -4.374 -1.441 11.036 1.00 0.00 C ATOM 277 C LYS A 21 -3.125 -0.642 11.414 1.00 0.00 C ATOM 278 O LYS A 21 -2.267 -1.134 12.145 1.00 0.00 O ATOM 279 CB LYS A 21 -5.439 -1.475 12.135 1.00 0.00 C ATOM 280 CG LYS A 21 -6.389 -0.282 12.014 1.00 0.00 C ATOM 281 CD LYS A 21 -7.845 -0.722 12.169 1.00 0.00 C ATOM 282 CE LYS A 21 -8.650 -0.413 10.905 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.590 0.703 11.149 1.00 0.00 N ATOM 0 H LYS A 21 -2.987 -2.985 10.744 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.837 -0.930 10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.006 -2.404 12.069 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.958 -1.464 13.113 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.146 0.459 12.776 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.252 0.199 11.046 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.885 -1.791 12.377 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.293 -0.214 13.023 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.974 -0.155 10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.202 -1.299 10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.128 0.900 10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.247 0.443 11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.057 1.552 11.425 1.00 0.00 H new ATOM 297 N LEU A 22 -3.064 0.577 10.900 1.00 0.00 N ATOM 298 CA LEU A 22 -1.935 1.450 11.174 1.00 0.00 C ATOM 299 C LEU A 22 -2.302 2.411 12.306 1.00 0.00 C ATOM 300 O LEU A 22 -3.300 2.210 12.997 1.00 0.00 O ATOM 301 CB LEU A 22 -1.477 2.152 9.894 1.00 0.00 C ATOM 302 CG LEU A 22 -1.516 1.311 8.617 1.00 0.00 C ATOM 303 CD1 LEU A 22 -0.660 0.051 8.764 1.00 0.00 C ATOM 304 CD2 LEU A 22 -2.956 0.982 8.220 1.00 0.00 C ATOM 0 H LEU A 22 -3.779 0.981 10.295 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.078 0.869 11.515 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.100 3.034 9.744 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.456 2.505 10.042 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.086 1.900 7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.705 -0.529 7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.373 0.334 8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.038 -0.551 9.590 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.955 0.383 7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.435 0.421 9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.506 1.907 8.046 1.00 0.00 H new ATOM 316 N SER A 23 -1.476 3.436 12.460 1.00 0.00 N ATOM 317 CA SER A 23 -1.702 4.429 13.496 1.00 0.00 C ATOM 318 C SER A 23 -2.872 5.335 13.107 1.00 0.00 C ATOM 319 O SER A 23 -3.466 5.990 13.962 1.00 0.00 O ATOM 320 CB SER A 23 -0.444 5.264 13.742 1.00 0.00 C ATOM 321 OG SER A 23 -0.253 5.548 15.126 1.00 0.00 O ATOM 0 H SER A 23 -0.650 3.600 11.885 1.00 0.00 H new ATOM 0 HA SER A 23 -1.947 3.908 14.421 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.426 4.731 13.358 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.515 6.199 13.187 1.00 0.00 H new ATOM 0 HG SER A 23 0.561 6.081 15.241 1.00 0.00 H new ATOM 327 N ARG A 24 -3.169 5.343 11.816 1.00 0.00 N ATOM 328 CA ARG A 24 -4.258 6.157 11.303 1.00 0.00 C ATOM 329 C ARG A 24 -5.484 5.287 11.019 1.00 0.00 C ATOM 330 O ARG A 24 -5.462 4.081 11.261 1.00 0.00 O ATOM 331 CB ARG A 24 -3.846 6.881 10.019 1.00 0.00 C ATOM 332 CG ARG A 24 -2.702 7.861 10.285 1.00 0.00 C ATOM 333 CD ARG A 24 -2.957 9.202 9.593 1.00 0.00 C ATOM 334 NE ARG A 24 -1.859 10.146 9.899 1.00 0.00 N ATOM 335 CZ ARG A 24 -1.772 10.855 11.032 1.00 0.00 C ATOM 336 NH1 ARG A 24 -2.716 10.731 11.975 1.00 0.00 N ATOM 337 NH2 ARG A 24 -0.740 11.688 11.224 1.00 0.00 N ATOM 0 H ARG A 24 -2.674 4.799 11.109 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.504 6.899 12.063 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.538 6.152 9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.702 7.418 9.609 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.594 8.016 11.358 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.764 7.436 9.928 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.033 9.056 8.515 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.908 9.617 9.926 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.122 10.264 9.203 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.501 10.096 11.830 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.649 11.271 12.838 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.020 11.782 10.507 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.674 12.228 12.087 1.00 0.00 H new ATOM 351 N ASN A 25 -6.523 5.932 10.511 1.00 0.00 N ATOM 352 CA ASN A 25 -7.755 5.232 10.192 1.00 0.00 C ATOM 353 C ASN A 25 -7.806 4.957 8.687 1.00 0.00 C ATOM 354 O ASN A 25 -7.221 5.697 7.898 1.00 0.00 O ATOM 355 CB ASN A 25 -8.978 6.074 10.560 1.00 0.00 C ATOM 356 CG ASN A 25 -9.596 5.597 11.876 1.00 0.00 C ATOM 357 OD1 ASN A 25 -9.477 4.447 12.267 1.00 0.00 O ATOM 358 ND2 ASN A 25 -10.261 6.542 12.535 1.00 0.00 N ATOM 0 H ASN A 25 -6.537 6.932 10.312 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.772 4.303 10.762 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.690 7.121 10.648 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.719 6.013 9.763 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.710 6.324 13.424 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.322 7.485 12.151 1.00 0.00 H new ATOM 365 N LYS A 26 -8.511 3.892 8.336 1.00 0.00 N ATOM 366 CA LYS A 26 -8.645 3.511 6.940 1.00 0.00 C ATOM 367 C LYS A 26 -8.961 4.753 6.105 1.00 0.00 C ATOM 368 O LYS A 26 -8.384 4.950 5.037 1.00 0.00 O ATOM 369 CB LYS A 26 -9.675 2.389 6.788 1.00 0.00 C ATOM 370 CG LYS A 26 -9.404 1.562 5.530 1.00 0.00 C ATOM 371 CD LYS A 26 -8.797 0.204 5.887 1.00 0.00 C ATOM 372 CE LYS A 26 -9.096 -0.833 4.803 1.00 0.00 C ATOM 373 NZ LYS A 26 -8.980 -2.203 5.350 1.00 0.00 N ATOM 0 H LYS A 26 -8.995 3.281 8.994 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.706 3.104 6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.646 1.743 7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.677 2.815 6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.333 1.416 4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.726 2.106 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.719 0.305 6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.197 -0.137 6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.100 -0.676 4.409 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.404 -0.708 3.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.186 -2.894 4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.014 -2.355 5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.658 -2.324 6.129 1.00 0.00 H new ATOM 387 N ASP A 27 -9.876 5.558 6.623 1.00 0.00 N ATOM 388 CA ASP A 27 -10.275 6.776 5.938 1.00 0.00 C ATOM 389 C ASP A 27 -9.061 7.696 5.793 1.00 0.00 C ATOM 390 O ASP A 27 -8.619 7.975 4.680 1.00 0.00 O ATOM 391 CB ASP A 27 -11.346 7.528 6.731 1.00 0.00 C ATOM 392 CG ASP A 27 -12.516 6.668 7.214 1.00 0.00 C ATOM 393 OD1 ASP A 27 -12.618 5.522 6.726 1.00 0.00 O ATOM 394 OD2 ASP A 27 -13.282 7.177 8.061 1.00 0.00 O ATOM 0 H ASP A 27 -10.353 5.391 7.509 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.676 6.499 4.963 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.875 7.994 7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.739 8.333 6.110 1.00 0.00 H new ATOM 399 N GLU A 28 -8.557 8.142 6.935 1.00 0.00 N ATOM 400 CA GLU A 28 -7.403 9.024 6.949 1.00 0.00 C ATOM 401 C GLU A 28 -6.384 8.582 5.896 1.00 0.00 C ATOM 402 O GLU A 28 -5.730 9.416 5.272 1.00 0.00 O ATOM 403 CB GLU A 28 -6.768 9.074 8.340 1.00 0.00 C ATOM 404 CG GLU A 28 -7.716 9.720 9.352 1.00 0.00 C ATOM 405 CD GLU A 28 -6.956 10.659 10.292 1.00 0.00 C ATOM 406 OE1 GLU A 28 -6.496 11.710 9.795 1.00 0.00 O ATOM 407 OE2 GLU A 28 -6.853 10.305 11.486 1.00 0.00 O ATOM 0 H GLU A 28 -8.927 7.909 7.856 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.737 10.032 6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.516 8.065 8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.836 9.637 8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.492 10.276 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.217 8.945 9.933 1.00 0.00 H new ATOM 414 N VAL A 29 -6.281 7.272 5.732 1.00 0.00 N ATOM 415 CA VAL A 29 -5.353 6.709 4.766 1.00 0.00 C ATOM 416 C VAL A 29 -5.970 6.786 3.368 1.00 0.00 C ATOM 417 O VAL A 29 -5.363 7.330 2.446 1.00 0.00 O ATOM 418 CB VAL A 29 -4.972 5.285 5.174 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.146 4.603 4.081 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.226 5.278 6.510 1.00 0.00 C ATOM 0 H VAL A 29 -6.825 6.583 6.252 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.428 7.285 4.745 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.893 4.716 5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.889 3.592 4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.727 4.558 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.233 5.172 3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.967 4.253 6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.316 5.871 6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.863 5.704 7.285 1.00 0.00 H new ATOM 430 N LYS A 30 -7.169 6.233 3.254 1.00 0.00 N ATOM 431 CA LYS A 30 -7.875 6.232 1.984 1.00 0.00 C ATOM 432 C LYS A 30 -7.834 7.637 1.381 1.00 0.00 C ATOM 433 O LYS A 30 -7.762 7.793 0.163 1.00 0.00 O ATOM 434 CB LYS A 30 -9.290 5.677 2.158 1.00 0.00 C ATOM 435 CG LYS A 30 -10.144 5.955 0.919 1.00 0.00 C ATOM 436 CD LYS A 30 -11.629 5.736 1.216 1.00 0.00 C ATOM 437 CE LYS A 30 -12.413 5.480 -0.072 1.00 0.00 C ATOM 438 NZ LYS A 30 -13.001 6.740 -0.580 1.00 0.00 N ATOM 0 H LYS A 30 -7.669 5.783 4.020 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.382 5.567 1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.244 4.603 2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.756 6.128 3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.984 6.980 0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.832 5.302 0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.747 4.890 1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.035 6.610 1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.754 5.049 -0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.203 4.752 0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.794 6.521 -1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.345 7.310 0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.277 7.276 -1.101 1.00 0.00 H new ATOM 452 N ALA A 31 -7.883 8.626 2.262 1.00 0.00 N ATOM 453 CA ALA A 31 -7.853 10.013 1.833 1.00 0.00 C ATOM 454 C ALA A 31 -6.465 10.341 1.277 1.00 0.00 C ATOM 455 O ALA A 31 -6.345 10.911 0.194 1.00 0.00 O ATOM 456 CB ALA A 31 -8.240 10.919 3.004 1.00 0.00 C ATOM 0 H ALA A 31 -7.943 8.493 3.272 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.577 10.183 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.217 11.960 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.244 10.666 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.534 10.777 3.822 1.00 0.00 H new ATOM 462 N MET A 32 -5.452 9.966 2.044 1.00 0.00 N ATOM 463 CA MET A 32 -4.078 10.212 1.642 1.00 0.00 C ATOM 464 C MET A 32 -3.772 9.547 0.298 1.00 0.00 C ATOM 465 O MET A 32 -3.301 10.202 -0.630 1.00 0.00 O ATOM 466 CB MET A 32 -3.127 9.667 2.710 1.00 0.00 C ATOM 467 CG MET A 32 -2.393 10.805 3.422 1.00 0.00 C ATOM 468 SD MET A 32 -1.209 11.554 2.317 1.00 0.00 S ATOM 469 CE MET A 32 0.228 11.583 3.376 1.00 0.00 C ATOM 0 H MET A 32 -5.556 9.493 2.942 1.00 0.00 H new ATOM 0 HA MET A 32 -3.938 11.288 1.534 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.689 9.080 3.437 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.403 8.995 2.249 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.109 11.553 3.763 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.885 10.423 4.308 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.644 12.590 3.397 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.058 11.288 4.385 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.976 10.889 2.993 1.00 0.00 H new ATOM 479 N ILE A 33 -4.051 8.253 0.238 1.00 0.00 N ATOM 480 CA ILE A 33 -3.812 7.492 -0.976 1.00 0.00 C ATOM 481 C ILE A 33 -4.505 8.183 -2.152 1.00 0.00 C ATOM 482 O ILE A 33 -4.025 8.123 -3.283 1.00 0.00 O ATOM 483 CB ILE A 33 -4.234 6.033 -0.786 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.495 5.398 0.394 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.044 5.235 -2.077 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.388 4.394 1.124 1.00 0.00 C ATOM 0 H ILE A 33 -4.440 7.713 1.011 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.746 7.465 -1.204 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.298 6.013 -0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.595 4.897 0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.174 6.175 1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.351 4.202 -1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.651 5.674 -2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.994 5.260 -2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.838 3.957 1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.275 4.903 1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.688 3.605 0.434 1.00 0.00 H new ATOM 498 N GLU A 34 -5.623 8.825 -1.845 1.00 0.00 N ATOM 499 CA GLU A 34 -6.386 9.527 -2.862 1.00 0.00 C ATOM 500 C GLU A 34 -5.758 10.893 -3.149 1.00 0.00 C ATOM 501 O GLU A 34 -5.611 11.281 -4.306 1.00 0.00 O ATOM 502 CB GLU A 34 -7.851 9.675 -2.444 1.00 0.00 C ATOM 503 CG GLU A 34 -8.638 8.397 -2.744 1.00 0.00 C ATOM 504 CD GLU A 34 -10.078 8.722 -3.144 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.254 9.219 -4.278 1.00 0.00 O ATOM 506 OE2 GLU A 34 -10.971 8.467 -2.307 1.00 0.00 O ATOM 0 H GLU A 34 -6.018 8.873 -0.906 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.361 8.937 -3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.908 9.900 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.301 10.516 -2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.150 7.845 -3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.638 7.751 -1.866 1.00 0.00 H new ATOM 513 N LYS A 35 -5.404 11.583 -2.074 1.00 0.00 N ATOM 514 CA LYS A 35 -4.795 12.897 -2.196 1.00 0.00 C ATOM 515 C LYS A 35 -3.443 12.764 -2.899 1.00 0.00 C ATOM 516 O LYS A 35 -2.985 13.699 -3.554 1.00 0.00 O ATOM 517 CB LYS A 35 -4.713 13.578 -0.829 1.00 0.00 C ATOM 518 CG LYS A 35 -3.354 13.329 -0.173 1.00 0.00 C ATOM 519 CD LYS A 35 -2.373 14.458 -0.498 1.00 0.00 C ATOM 520 CE LYS A 35 -2.488 15.594 0.520 1.00 0.00 C ATOM 521 NZ LYS A 35 -1.409 15.499 1.528 1.00 0.00 N ATOM 0 H LYS A 35 -5.527 11.257 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.413 13.548 -2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.875 14.650 -0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.507 13.202 -0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.477 13.249 0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.948 12.379 -0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.354 14.070 -0.502 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.572 14.840 -1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.432 16.555 0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.459 15.551 1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.502 16.278 2.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.480 14.590 2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.485 15.563 1.055 1.00 0.00 H new ATOM 535 N LEU A 36 -2.841 11.594 -2.739 1.00 0.00 N ATOM 536 CA LEU A 36 -1.550 11.327 -3.350 1.00 0.00 C ATOM 537 C LEU A 36 -1.757 10.921 -4.811 1.00 0.00 C ATOM 538 O LEU A 36 -0.802 10.565 -5.501 1.00 0.00 O ATOM 539 CB LEU A 36 -0.772 10.297 -2.530 1.00 0.00 C ATOM 540 CG LEU A 36 -0.379 10.725 -1.114 1.00 0.00 C ATOM 541 CD1 LEU A 36 -0.018 9.512 -0.255 1.00 0.00 C ATOM 542 CD2 LEU A 36 0.747 11.760 -1.147 1.00 0.00 C ATOM 0 H LEU A 36 -3.224 10.821 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.936 12.227 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.372 9.389 -2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.136 10.039 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.242 11.203 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.257 9.844 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.876 8.842 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.822 8.984 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.007 12.047 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.621 11.331 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.416 12.640 -1.699 1.00 0.00 H new ATOM 554 N GLY A 37 -3.009 10.988 -5.239 1.00 0.00 N ATOM 555 CA GLY A 37 -3.352 10.631 -6.605 1.00 0.00 C ATOM 556 C GLY A 37 -3.711 9.147 -6.711 1.00 0.00 C ATOM 557 O GLY A 37 -4.280 8.713 -7.711 1.00 0.00 O ATOM 0 H GLY A 37 -3.798 11.284 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.193 11.237 -6.943 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.513 10.854 -7.264 1.00 0.00 H new ATOM 561 N GLY A 38 -3.363 8.411 -5.666 1.00 0.00 N ATOM 562 CA GLY A 38 -3.641 6.986 -5.629 1.00 0.00 C ATOM 563 C GLY A 38 -5.116 6.723 -5.317 1.00 0.00 C ATOM 564 O GLY A 38 -5.953 7.611 -5.465 1.00 0.00 O ATOM 0 H GLY A 38 -2.891 8.775 -4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.383 6.536 -6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.015 6.509 -4.874 1.00 0.00 H new ATOM 568 N LYS A 39 -5.388 5.498 -4.891 1.00 0.00 N ATOM 569 CA LYS A 39 -6.747 5.107 -4.557 1.00 0.00 C ATOM 570 C LYS A 39 -6.713 3.833 -3.710 1.00 0.00 C ATOM 571 O LYS A 39 -6.092 2.843 -4.097 1.00 0.00 O ATOM 572 CB LYS A 39 -7.595 4.981 -5.824 1.00 0.00 C ATOM 573 CG LYS A 39 -8.320 6.293 -6.131 1.00 0.00 C ATOM 574 CD LYS A 39 -7.945 6.815 -7.520 1.00 0.00 C ATOM 575 CE LYS A 39 -9.189 7.251 -8.296 1.00 0.00 C ATOM 576 NZ LYS A 39 -8.805 7.882 -9.578 1.00 0.00 N ATOM 0 H LYS A 39 -4.691 4.764 -4.770 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.228 5.878 -3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.959 4.707 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.323 4.179 -5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.398 6.139 -6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.065 7.038 -5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.259 7.656 -7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.420 6.038 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.828 6.388 -8.485 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.770 7.953 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.661 8.172 -10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.214 8.717 -9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.270 7.201 -10.153 1.00 0.00 H new ATOM 590 N LEU A 40 -7.388 3.898 -2.572 1.00 0.00 N ATOM 591 CA LEU A 40 -7.443 2.762 -1.668 1.00 0.00 C ATOM 592 C LEU A 40 -8.379 1.700 -2.248 1.00 0.00 C ATOM 593 O LEU A 40 -9.339 2.026 -2.944 1.00 0.00 O ATOM 594 CB LEU A 40 -7.826 3.217 -0.259 1.00 0.00 C ATOM 595 CG LEU A 40 -7.742 2.151 0.836 1.00 0.00 C ATOM 596 CD1 LEU A 40 -7.170 2.736 2.128 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.103 1.488 1.060 1.00 0.00 C ATOM 0 H LEU A 40 -7.902 4.720 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.459 2.302 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.180 4.049 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.846 3.601 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.055 1.373 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.121 1.958 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.169 3.123 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.812 3.545 2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.016 0.735 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.830 2.242 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.434 1.014 0.136 1.00 0.00 H new ATOM 609 N THR A 41 -8.068 0.450 -1.938 1.00 0.00 N ATOM 610 CA THR A 41 -8.869 -0.663 -2.419 1.00 0.00 C ATOM 611 C THR A 41 -9.053 -1.705 -1.314 1.00 0.00 C ATOM 612 O THR A 41 -8.364 -1.663 -0.296 1.00 0.00 O ATOM 613 CB THR A 41 -8.198 -1.220 -3.676 1.00 0.00 C ATOM 614 OG1 THR A 41 -9.007 -2.338 -4.034 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.826 -1.831 -3.385 1.00 0.00 C ATOM 0 H THR A 41 -7.272 0.183 -1.359 1.00 0.00 H new ATOM 0 HA THR A 41 -9.875 -0.340 -2.687 1.00 0.00 H new ATOM 0 HB THR A 41 -8.092 -0.425 -4.414 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.645 -2.759 -4.841 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.393 -2.211 -4.310 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.170 -1.069 -2.964 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.936 -2.649 -2.673 1.00 0.00 H new ATOM 623 N GLY A 42 -9.984 -2.616 -1.553 1.00 0.00 N ATOM 624 CA GLY A 42 -10.267 -3.668 -0.591 1.00 0.00 C ATOM 625 C GLY A 42 -9.502 -4.947 -0.937 1.00 0.00 C ATOM 626 O GLY A 42 -8.929 -5.589 -0.058 1.00 0.00 O ATOM 0 H GLY A 42 -10.553 -2.648 -2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.992 -3.335 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.337 -3.873 -0.575 1.00 0.00 H new ATOM 630 N THR A 43 -9.518 -5.280 -2.220 1.00 0.00 N ATOM 631 CA THR A 43 -8.834 -6.471 -2.693 1.00 0.00 C ATOM 632 C THR A 43 -7.329 -6.215 -2.797 1.00 0.00 C ATOM 633 O THR A 43 -6.886 -5.068 -2.751 1.00 0.00 O ATOM 634 CB THR A 43 -9.472 -6.888 -4.019 1.00 0.00 C ATOM 635 OG1 THR A 43 -10.862 -6.637 -3.829 1.00 0.00 O ATOM 636 CG2 THR A 43 -9.396 -8.398 -4.256 1.00 0.00 C ATOM 0 H THR A 43 -9.994 -4.745 -2.946 1.00 0.00 H new ATOM 0 HA THR A 43 -8.944 -7.296 -1.989 1.00 0.00 H new ATOM 0 HB THR A 43 -8.979 -6.366 -4.839 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.352 -6.878 -4.643 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.863 -8.640 -5.211 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.352 -8.712 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.919 -8.919 -3.454 1.00 0.00 H new ATOM 644 N ALA A 44 -6.584 -7.302 -2.936 1.00 0.00 N ATOM 645 CA ALA A 44 -5.138 -7.210 -3.047 1.00 0.00 C ATOM 646 C ALA A 44 -4.734 -7.359 -4.515 1.00 0.00 C ATOM 647 O ALA A 44 -3.958 -6.557 -5.033 1.00 0.00 O ATOM 648 CB ALA A 44 -4.489 -8.268 -2.153 1.00 0.00 C ATOM 0 H ALA A 44 -6.955 -8.251 -2.974 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.788 -6.236 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.404 -8.199 -2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.785 -8.100 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.815 -9.260 -2.467 1.00 0.00 H new ATOM 654 N ASN A 45 -5.277 -8.391 -5.143 1.00 0.00 N ATOM 655 CA ASN A 45 -4.982 -8.655 -6.541 1.00 0.00 C ATOM 656 C ASN A 45 -5.352 -7.428 -7.377 1.00 0.00 C ATOM 657 O ASN A 45 -4.689 -7.125 -8.368 1.00 0.00 O ATOM 658 CB ASN A 45 -5.794 -9.844 -7.060 1.00 0.00 C ATOM 659 CG ASN A 45 -4.987 -10.659 -8.073 1.00 0.00 C ATOM 660 OD1 ASN A 45 -4.340 -10.129 -8.961 1.00 0.00 O ATOM 661 ND2 ASN A 45 -5.061 -11.974 -7.890 1.00 0.00 N ATOM 0 H ASN A 45 -5.919 -9.054 -4.710 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.919 -8.880 -6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.086 -10.481 -6.225 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.713 -9.486 -7.525 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.557 -12.605 -8.514 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.621 -12.352 -7.126 1.00 0.00 H new ATOM 668 N LYS A 46 -6.410 -6.756 -6.947 1.00 0.00 N ATOM 669 CA LYS A 46 -6.876 -5.569 -7.643 1.00 0.00 C ATOM 670 C LYS A 46 -6.215 -4.332 -7.032 1.00 0.00 C ATOM 671 O LYS A 46 -6.845 -3.282 -6.914 1.00 0.00 O ATOM 672 CB LYS A 46 -8.405 -5.513 -7.642 1.00 0.00 C ATOM 673 CG LYS A 46 -8.999 -6.734 -8.348 1.00 0.00 C ATOM 674 CD LYS A 46 -9.339 -7.837 -7.343 1.00 0.00 C ATOM 675 CE LYS A 46 -10.414 -8.773 -7.900 1.00 0.00 C ATOM 676 NZ LYS A 46 -9.806 -9.796 -8.780 1.00 0.00 N ATOM 0 H LYS A 46 -6.958 -7.011 -6.125 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.582 -5.603 -8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.770 -5.468 -6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.739 -4.603 -8.139 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.898 -6.443 -8.892 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.290 -7.114 -9.084 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.441 -8.408 -7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.687 -7.391 -6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.942 -9.258 -7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.152 -8.197 -8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.549 -10.423 -9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.322 -9.328 -9.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.119 -10.357 -8.237 1.00 0.00 H new ATOM 690 N ALA A 47 -4.954 -4.497 -6.661 1.00 0.00 N ATOM 691 CA ALA A 47 -4.200 -3.407 -6.066 1.00 0.00 C ATOM 692 C ALA A 47 -2.823 -3.324 -6.726 1.00 0.00 C ATOM 693 O ALA A 47 -2.389 -4.268 -7.385 1.00 0.00 O ATOM 694 CB ALA A 47 -4.110 -3.615 -4.553 1.00 0.00 C ATOM 0 H ALA A 47 -4.435 -5.370 -6.761 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.704 -2.455 -6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.544 -2.797 -4.106 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.114 -3.636 -4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.608 -4.560 -4.345 1.00 0.00 H new ATOM 700 N SER A 48 -2.173 -2.187 -6.525 1.00 0.00 N ATOM 701 CA SER A 48 -0.853 -1.969 -7.093 1.00 0.00 C ATOM 702 C SER A 48 0.202 -1.984 -5.985 1.00 0.00 C ATOM 703 O SER A 48 1.372 -2.264 -6.241 1.00 0.00 O ATOM 704 CB SER A 48 -0.796 -0.648 -7.863 1.00 0.00 C ATOM 705 OG SER A 48 -1.867 -0.527 -8.795 1.00 0.00 O ATOM 0 H SER A 48 -2.536 -1.407 -5.977 1.00 0.00 H new ATOM 0 HA SER A 48 -0.645 -2.776 -7.795 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.832 0.184 -7.159 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.155 -0.577 -8.392 1.00 0.00 H new ATOM 0 HG SER A 48 -1.796 0.330 -9.265 1.00 0.00 H new ATOM 711 N LEU A 49 -0.250 -1.679 -4.778 1.00 0.00 N ATOM 712 CA LEU A 49 0.641 -1.654 -3.630 1.00 0.00 C ATOM 713 C LEU A 49 -0.135 -2.072 -2.379 1.00 0.00 C ATOM 714 O LEU A 49 -1.364 -2.023 -2.361 1.00 0.00 O ATOM 715 CB LEU A 49 1.318 -0.288 -3.507 1.00 0.00 C ATOM 716 CG LEU A 49 1.895 0.053 -2.131 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.149 -0.774 -1.842 1.00 0.00 C ATOM 718 CD2 LEU A 49 2.156 1.556 -2.004 1.00 0.00 C ATOM 0 H LEU A 49 -1.221 -1.447 -4.570 1.00 0.00 H new ATOM 0 HA LEU A 49 1.450 -2.373 -3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.123 -0.236 -4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.593 0.480 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 49 1.155 -0.210 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.539 -0.512 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.898 -1.835 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.905 -0.565 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.566 1.772 -1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.868 1.868 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.221 2.100 -2.136 1.00 0.00 H new ATOM 730 N CYS A 50 0.616 -2.472 -1.363 1.00 0.00 N ATOM 731 CA CYS A 50 0.014 -2.898 -0.111 1.00 0.00 C ATOM 732 C CYS A 50 0.641 -2.086 1.024 1.00 0.00 C ATOM 733 O CYS A 50 1.820 -1.739 0.967 1.00 0.00 O ATOM 734 CB CYS A 50 0.172 -4.404 0.110 1.00 0.00 C ATOM 735 SG CYS A 50 -0.879 -4.946 1.507 1.00 0.00 S ATOM 0 H CYS A 50 1.635 -2.510 -1.381 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.060 -2.713 -0.140 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.106 -4.944 -0.795 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.216 -4.642 0.316 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.739 -6.226 1.684 1.00 0.00 H new ATOM 741 N ILE A 51 -0.175 -1.805 2.029 1.00 0.00 N ATOM 742 CA ILE A 51 0.284 -1.040 3.176 1.00 0.00 C ATOM 743 C ILE A 51 -0.177 -1.729 4.462 1.00 0.00 C ATOM 744 O ILE A 51 -1.294 -1.505 4.924 1.00 0.00 O ATOM 745 CB ILE A 51 -0.167 0.417 3.063 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.527 1.118 1.894 1.00 0.00 C ATOM 747 CG2 ILE A 51 0.045 1.161 4.384 1.00 0.00 C ATOM 748 CD1 ILE A 51 0.057 2.568 1.766 1.00 0.00 C ATOM 0 H ILE A 51 -1.152 -2.094 2.073 1.00 0.00 H new ATOM 0 HA ILE A 51 1.373 -1.011 3.203 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.237 0.427 2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.607 1.094 2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.319 0.582 0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.284 2.195 4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.533 0.677 5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.103 1.142 4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.566 3.043 0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.019 2.588 1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.289 3.108 2.684 1.00 0.00 H new ATOM 760 N SER A 52 0.708 -2.554 5.003 1.00 0.00 N ATOM 761 CA SER A 52 0.406 -3.277 6.227 1.00 0.00 C ATOM 762 C SER A 52 1.545 -3.103 7.233 1.00 0.00 C ATOM 763 O SER A 52 2.455 -2.305 7.013 1.00 0.00 O ATOM 764 CB SER A 52 0.170 -4.762 5.944 1.00 0.00 C ATOM 765 OG SER A 52 -0.701 -5.356 6.903 1.00 0.00 O ATOM 0 H SER A 52 1.634 -2.738 4.616 1.00 0.00 H new ATOM 0 HA SER A 52 -0.510 -2.865 6.651 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.255 -4.878 4.947 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.125 -5.288 5.947 1.00 0.00 H new ATOM 0 HG SER A 52 -1.062 -4.661 7.492 1.00 0.00 H new ATOM 771 N THR A 53 1.458 -3.862 8.315 1.00 0.00 N ATOM 772 CA THR A 53 2.470 -3.801 9.356 1.00 0.00 C ATOM 773 C THR A 53 3.241 -5.120 9.427 1.00 0.00 C ATOM 774 O THR A 53 2.849 -6.107 8.806 1.00 0.00 O ATOM 775 CB THR A 53 1.777 -3.431 10.668 1.00 0.00 C ATOM 776 OG1 THR A 53 0.938 -4.549 10.946 1.00 0.00 O ATOM 777 CG2 THR A 53 0.801 -2.264 10.506 1.00 0.00 C ATOM 0 H THR A 53 0.702 -4.523 8.494 1.00 0.00 H new ATOM 0 HA THR A 53 3.215 -3.036 9.139 1.00 0.00 H new ATOM 0 HB THR A 53 2.528 -3.175 11.415 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.452 -4.393 11.783 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.336 -2.042 11.467 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.340 -1.385 10.152 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.030 -2.532 9.784 1.00 0.00 H new ATOM 785 N LYS A 54 4.325 -5.095 10.189 1.00 0.00 N ATOM 786 CA LYS A 54 5.155 -6.277 10.350 1.00 0.00 C ATOM 787 C LYS A 54 4.286 -7.445 10.821 1.00 0.00 C ATOM 788 O LYS A 54 4.269 -8.503 10.194 1.00 0.00 O ATOM 789 CB LYS A 54 6.338 -5.979 11.273 1.00 0.00 C ATOM 790 CG LYS A 54 7.070 -7.266 11.658 1.00 0.00 C ATOM 791 CD LYS A 54 8.549 -7.192 11.273 1.00 0.00 C ATOM 792 CE LYS A 54 8.721 -7.211 9.753 1.00 0.00 C ATOM 793 NZ LYS A 54 10.030 -6.635 9.372 1.00 0.00 N ATOM 0 H LYS A 54 4.648 -4.274 10.702 1.00 0.00 H new ATOM 0 HA LYS A 54 5.591 -6.569 9.395 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.029 -5.298 10.776 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.984 -5.474 12.172 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.978 -7.434 12.731 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.603 -8.117 11.161 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.990 -6.282 11.681 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.086 -8.032 11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.647 -8.234 9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.917 -6.644 9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.130 -6.656 8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.087 -5.652 9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.794 -7.192 9.805 1.00 0.00 H new ATOM 807 N LYS A 55 3.586 -7.213 11.922 1.00 0.00 N ATOM 808 CA LYS A 55 2.717 -8.233 12.484 1.00 0.00 C ATOM 809 C LYS A 55 1.885 -8.863 11.364 1.00 0.00 C ATOM 810 O LYS A 55 1.845 -10.085 11.228 1.00 0.00 O ATOM 811 CB LYS A 55 1.876 -7.652 13.622 1.00 0.00 C ATOM 812 CG LYS A 55 2.384 -8.135 14.982 1.00 0.00 C ATOM 813 CD LYS A 55 1.607 -7.477 16.124 1.00 0.00 C ATOM 814 CE LYS A 55 2.351 -7.628 17.452 1.00 0.00 C ATOM 815 NZ LYS A 55 1.432 -8.102 18.510 1.00 0.00 N ATOM 0 H LYS A 55 3.603 -6.334 12.440 1.00 0.00 H new ATOM 0 HA LYS A 55 3.308 -9.033 12.931 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.909 -6.563 13.584 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.834 -7.944 13.494 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.285 -9.219 15.047 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.445 -7.906 15.080 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.458 -6.420 15.905 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.618 -7.929 16.204 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.175 -8.332 17.336 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.787 -6.672 17.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.953 -8.199 19.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.660 -7.416 18.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.036 -9.024 18.238 1.00 0.00 H new ATOM 829 N GLU A 56 1.243 -8.000 10.591 1.00 0.00 N ATOM 830 CA GLU A 56 0.415 -8.456 9.488 1.00 0.00 C ATOM 831 C GLU A 56 1.215 -9.385 8.572 1.00 0.00 C ATOM 832 O GLU A 56 0.922 -10.576 8.481 1.00 0.00 O ATOM 833 CB GLU A 56 -0.156 -7.273 8.704 1.00 0.00 C ATOM 834 CG GLU A 56 -1.675 -7.189 8.867 1.00 0.00 C ATOM 835 CD GLU A 56 -2.079 -7.342 10.335 1.00 0.00 C ATOM 836 OE1 GLU A 56 -1.511 -6.595 11.161 1.00 0.00 O ATOM 837 OE2 GLU A 56 -2.946 -8.203 10.599 1.00 0.00 O ATOM 0 H GLU A 56 1.280 -6.987 10.707 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.425 -9.017 9.899 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.302 -6.347 9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.095 -7.377 7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.033 -6.233 8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.152 -7.968 8.272 1.00 0.00 H new ATOM 844 N VAL A 57 2.210 -8.804 7.918 1.00 0.00 N ATOM 845 CA VAL A 57 3.055 -9.565 7.012 1.00 0.00 C ATOM 846 C VAL A 57 3.468 -10.874 7.687 1.00 0.00 C ATOM 847 O VAL A 57 3.722 -11.871 7.012 1.00 0.00 O ATOM 848 CB VAL A 57 4.249 -8.716 6.573 1.00 0.00 C ATOM 849 CG1 VAL A 57 5.199 -9.522 5.685 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.785 -7.442 5.864 1.00 0.00 C ATOM 0 H VAL A 57 2.450 -7.816 7.997 1.00 0.00 H new ATOM 0 HA VAL A 57 2.508 -9.825 6.106 1.00 0.00 H new ATOM 0 HB VAL A 57 4.797 -8.421 7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.039 -8.894 5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.569 -10.385 6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.667 -9.861 4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.654 -6.857 5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.203 -7.708 4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.168 -6.852 6.542 1.00 0.00 H new ATOM 860 N GLU A 58 3.522 -10.830 9.010 1.00 0.00 N ATOM 861 CA GLU A 58 3.901 -12.001 9.783 1.00 0.00 C ATOM 862 C GLU A 58 2.744 -13.001 9.832 1.00 0.00 C ATOM 863 O GLU A 58 2.959 -14.209 9.744 1.00 0.00 O ATOM 864 CB GLU A 58 4.344 -11.607 11.193 1.00 0.00 C ATOM 865 CG GLU A 58 5.869 -11.631 11.315 1.00 0.00 C ATOM 866 CD GLU A 58 6.302 -11.628 12.783 1.00 0.00 C ATOM 867 OE1 GLU A 58 5.995 -12.628 13.467 1.00 0.00 O ATOM 868 OE2 GLU A 58 6.930 -10.625 13.187 1.00 0.00 O ATOM 0 H GLU A 58 3.310 -10.002 9.566 1.00 0.00 H new ATOM 0 HA GLU A 58 4.749 -12.478 9.291 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.972 -10.610 11.430 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.907 -12.291 11.920 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.263 -12.517 10.818 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.292 -10.765 10.806 1.00 0.00 H new ATOM 875 N LYS A 59 1.542 -12.461 9.972 1.00 0.00 N ATOM 876 CA LYS A 59 0.351 -13.292 10.033 1.00 0.00 C ATOM 877 C LYS A 59 0.240 -14.112 8.746 1.00 0.00 C ATOM 878 O LYS A 59 0.054 -15.327 8.795 1.00 0.00 O ATOM 879 CB LYS A 59 -0.883 -12.437 10.325 1.00 0.00 C ATOM 880 CG LYS A 59 -1.187 -12.407 11.825 1.00 0.00 C ATOM 881 CD LYS A 59 -0.865 -11.035 12.422 1.00 0.00 C ATOM 882 CE LYS A 59 -2.140 -10.327 12.886 1.00 0.00 C ATOM 883 NZ LYS A 59 -2.369 -10.565 14.328 1.00 0.00 N ATOM 0 H LYS A 59 1.367 -11.459 10.045 1.00 0.00 H new ATOM 0 HA LYS A 59 0.423 -14.001 10.858 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.720 -11.422 9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.742 -12.835 9.784 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.238 -12.643 11.992 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.604 -13.175 12.333 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.182 -11.152 13.264 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.354 -10.422 11.680 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.058 -9.257 12.696 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.993 -10.688 12.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.238 -10.078 14.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.468 -11.586 14.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.562 -10.199 14.873 1.00 0.00 H new ATOM 897 N MET A 60 0.359 -13.416 7.626 1.00 0.00 N ATOM 898 CA MET A 60 0.275 -14.065 6.329 1.00 0.00 C ATOM 899 C MET A 60 -1.104 -14.695 6.120 1.00 0.00 C ATOM 900 O MET A 60 -1.216 -15.773 5.539 1.00 0.00 O ATOM 901 CB MET A 60 1.351 -15.147 6.228 1.00 0.00 C ATOM 902 CG MET A 60 2.658 -14.572 5.678 1.00 0.00 C ATOM 903 SD MET A 60 2.708 -14.756 3.904 1.00 0.00 S ATOM 904 CE MET A 60 2.101 -13.153 3.408 1.00 0.00 C ATOM 0 H MET A 60 0.513 -12.408 7.589 1.00 0.00 H new ATOM 0 HA MET A 60 0.431 -13.312 5.556 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.527 -15.583 7.212 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.003 -15.952 5.580 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.742 -13.519 5.945 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.508 -15.084 6.129 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.452 -12.927 2.401 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.011 -13.157 3.420 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.469 -12.395 4.099 1.00 0.00 H new ATOM 914 N ASN A 61 -2.119 -13.994 6.604 1.00 0.00 N ATOM 915 CA ASN A 61 -3.485 -14.471 6.477 1.00 0.00 C ATOM 916 C ASN A 61 -3.863 -14.538 4.996 1.00 0.00 C ATOM 917 O ASN A 61 -3.006 -14.386 4.126 1.00 0.00 O ATOM 918 CB ASN A 61 -4.466 -13.524 7.173 1.00 0.00 C ATOM 919 CG ASN A 61 -5.659 -14.293 7.744 1.00 0.00 C ATOM 920 OD1 ASN A 61 -6.789 -14.150 7.308 1.00 0.00 O ATOM 921 ND2 ASN A 61 -5.345 -15.115 8.741 1.00 0.00 N ATOM 0 H ASN A 61 -2.022 -13.100 7.085 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.542 -15.456 6.941 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.955 -12.991 7.975 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.818 -12.774 6.465 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.071 -15.674 9.189 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.378 -15.187 9.057 1.00 0.00 H new ATOM 928 N LYS A 62 -5.145 -14.766 4.755 1.00 0.00 N ATOM 929 CA LYS A 62 -5.646 -14.854 3.394 1.00 0.00 C ATOM 930 C LYS A 62 -5.419 -13.519 2.683 1.00 0.00 C ATOM 931 O LYS A 62 -5.024 -13.491 1.519 1.00 0.00 O ATOM 932 CB LYS A 62 -7.106 -15.313 3.389 1.00 0.00 C ATOM 933 CG LYS A 62 -7.201 -16.840 3.421 1.00 0.00 C ATOM 934 CD LYS A 62 -7.818 -17.323 4.735 1.00 0.00 C ATOM 935 CE LYS A 62 -9.139 -18.053 4.485 1.00 0.00 C ATOM 936 NZ LYS A 62 -8.902 -19.500 4.284 1.00 0.00 N ATOM 0 H LYS A 62 -5.852 -14.893 5.479 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.096 -15.611 2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.625 -14.895 4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.608 -14.932 2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.804 -17.188 2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.208 -17.272 3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.121 -17.989 5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.988 -16.473 5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.810 -17.902 5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.632 -17.634 3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.809 -19.980 4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.279 -19.639 3.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.451 -19.899 5.132 1.00 0.00 H new ATOM 950 N LYS A 63 -5.679 -12.444 3.414 1.00 0.00 N ATOM 951 CA LYS A 63 -5.507 -11.109 2.868 1.00 0.00 C ATOM 952 C LYS A 63 -4.069 -10.946 2.371 1.00 0.00 C ATOM 953 O LYS A 63 -3.841 -10.713 1.185 1.00 0.00 O ATOM 954 CB LYS A 63 -5.927 -10.053 3.892 1.00 0.00 C ATOM 955 CG LYS A 63 -7.450 -9.920 3.950 1.00 0.00 C ATOM 956 CD LYS A 63 -7.932 -8.753 3.085 1.00 0.00 C ATOM 957 CE LYS A 63 -8.436 -7.599 3.954 1.00 0.00 C ATOM 958 NZ LYS A 63 -7.641 -6.376 3.702 1.00 0.00 N ATOM 0 H LYS A 63 -6.007 -12.471 4.379 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.160 -10.963 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.544 -10.323 4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.484 -9.092 3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.913 -10.846 3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.766 -9.767 4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.117 -8.406 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.730 -9.091 2.424 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.487 -7.407 3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.370 -7.873 5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.996 -5.602 4.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.642 -6.558 3.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.726 -6.107 2.701 1.00 0.00 H new ATOM 972 N MET A 64 -3.137 -11.076 3.303 1.00 0.00 N ATOM 973 CA MET A 64 -1.727 -10.946 2.975 1.00 0.00 C ATOM 974 C MET A 64 -1.310 -11.984 1.931 1.00 0.00 C ATOM 975 O MET A 64 -0.271 -11.839 1.288 1.00 0.00 O ATOM 976 CB MET A 64 -0.889 -11.130 4.242 1.00 0.00 C ATOM 977 CG MET A 64 0.509 -10.535 4.065 1.00 0.00 C ATOM 978 SD MET A 64 0.391 -8.784 3.739 1.00 0.00 S ATOM 979 CE MET A 64 0.127 -8.178 5.397 1.00 0.00 C ATOM 0 H MET A 64 -3.330 -11.270 4.286 1.00 0.00 H new ATOM 0 HA MET A 64 -1.559 -9.952 2.559 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.388 -10.652 5.085 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.809 -12.191 4.479 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.103 -10.707 4.963 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.023 -11.032 3.243 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.625 -7.389 5.381 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.217 -8.994 6.032 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.062 -7.780 5.792 1.00 0.00 H new ATOM 989 N GLU A 65 -2.140 -13.007 1.795 1.00 0.00 N ATOM 990 CA GLU A 65 -1.870 -14.069 0.841 1.00 0.00 C ATOM 991 C GLU A 65 -2.273 -13.630 -0.569 1.00 0.00 C ATOM 992 O GLU A 65 -1.673 -14.062 -1.552 1.00 0.00 O ATOM 993 CB GLU A 65 -2.588 -15.360 1.239 1.00 0.00 C ATOM 994 CG GLU A 65 -1.772 -16.146 2.267 1.00 0.00 C ATOM 995 CD GLU A 65 -1.376 -17.519 1.719 1.00 0.00 C ATOM 996 OE1 GLU A 65 -0.853 -17.547 0.584 1.00 0.00 O ATOM 997 OE2 GLU A 65 -1.606 -18.508 2.447 1.00 0.00 O ATOM 0 H GLU A 65 -3.001 -13.123 2.330 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.799 -14.272 0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.568 -15.123 1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.755 -15.975 0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.876 -15.584 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.353 -16.269 3.181 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.285 -12.777 -0.622 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.775 -12.275 -1.895 1.00 0.00 C ATOM 1006 C GLU A 66 -2.741 -11.344 -2.531 1.00 0.00 C ATOM 1007 O GLU A 66 -2.736 -11.154 -3.746 1.00 0.00 O ATOM 1008 CB GLU A 66 -5.119 -11.566 -1.724 1.00 0.00 C ATOM 1009 CG GLU A 66 -6.199 -12.543 -1.254 1.00 0.00 C ATOM 1010 CD GLU A 66 -7.255 -12.758 -2.340 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -7.725 -11.735 -2.884 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -7.568 -13.939 -2.601 1.00 0.00 O ATOM 0 H GLU A 66 -3.779 -12.421 0.196 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.931 -13.123 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.017 -10.756 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.419 -11.114 -2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.742 -13.497 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.674 -12.159 -0.351 1.00 0.00 H new ATOM 1019 N VAL A 67 -1.890 -10.788 -1.681 1.00 0.00 N ATOM 1020 CA VAL A 67 -0.853 -9.882 -2.145 1.00 0.00 C ATOM 1021 C VAL A 67 0.434 -10.670 -2.394 1.00 0.00 C ATOM 1022 O VAL A 67 1.264 -10.270 -3.210 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.671 -8.739 -1.144 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -1.484 -8.989 0.128 1.00 0.00 C ATOM 1025 CG2 VAL A 67 0.809 -8.528 -0.817 1.00 0.00 C ATOM 0 H VAL A 67 -1.897 -10.948 -0.674 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.141 -9.425 -3.092 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.046 -7.826 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.337 -8.162 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.541 -9.066 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.154 -9.917 0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.911 -7.710 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.220 -9.440 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.352 -8.283 -1.730 1.00 0.00 H new ATOM 1035 N LYS A 68 0.561 -11.776 -1.676 1.00 0.00 N ATOM 1036 CA LYS A 68 1.733 -12.624 -1.808 1.00 0.00 C ATOM 1037 C LYS A 68 1.678 -13.357 -3.150 1.00 0.00 C ATOM 1038 O LYS A 68 2.701 -13.823 -3.649 1.00 0.00 O ATOM 1039 CB LYS A 68 1.858 -13.558 -0.602 1.00 0.00 C ATOM 1040 CG LYS A 68 3.149 -14.376 -0.674 1.00 0.00 C ATOM 1041 CD LYS A 68 3.695 -14.663 0.727 1.00 0.00 C ATOM 1042 CE LYS A 68 5.047 -15.375 0.653 1.00 0.00 C ATOM 1043 NZ LYS A 68 4.920 -16.654 -0.081 1.00 0.00 N ATOM 0 H LYS A 68 -0.129 -12.105 -1.000 1.00 0.00 H new ATOM 0 HA LYS A 68 2.641 -12.021 -1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.844 -12.974 0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.000 -14.229 -0.566 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.960 -15.315 -1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.895 -13.834 -1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.802 -13.729 1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.985 -15.279 1.279 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.775 -14.734 0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.422 -15.562 1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.778 -17.224 0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.093 -17.176 0.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.800 -16.461 -1.096 1.00 0.00 H new ATOM 1057 N GLU A 69 0.474 -13.436 -3.696 1.00 0.00 N ATOM 1058 CA GLU A 69 0.272 -14.105 -4.970 1.00 0.00 C ATOM 1059 C GLU A 69 0.559 -13.143 -6.125 1.00 0.00 C ATOM 1060 O GLU A 69 1.206 -13.516 -7.102 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.143 -14.676 -5.071 1.00 0.00 C ATOM 1062 CG GLU A 69 -1.518 -15.442 -3.801 1.00 0.00 C ATOM 1063 CD GLU A 69 -1.759 -16.922 -4.103 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -0.794 -17.572 -4.559 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -2.903 -17.370 -3.872 1.00 0.00 O ATOM 0 H GLU A 69 -0.372 -13.048 -3.279 1.00 0.00 H new ATOM 0 HA GLU A 69 0.970 -14.939 -5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.855 -13.867 -5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.210 -15.339 -5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.721 -15.343 -3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.415 -15.006 -3.361 1.00 0.00 H new ATOM 1072 N ALA A 70 0.063 -11.923 -5.975 1.00 0.00 N ATOM 1073 CA ALA A 70 0.258 -10.906 -6.993 1.00 0.00 C ATOM 1074 C ALA A 70 1.607 -10.220 -6.771 1.00 0.00 C ATOM 1075 O ALA A 70 2.001 -9.351 -7.548 1.00 0.00 O ATOM 1076 CB ALA A 70 -0.911 -9.918 -6.959 1.00 0.00 C ATOM 0 H ALA A 70 -0.474 -11.617 -5.163 1.00 0.00 H new ATOM 0 HA ALA A 70 0.276 -11.356 -7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.765 -9.155 -7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.843 -10.450 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.959 -9.445 -5.978 1.00 0.00 H new ATOM 1082 N ASN A 71 2.279 -10.636 -5.708 1.00 0.00 N ATOM 1083 CA ASN A 71 3.576 -10.073 -5.373 1.00 0.00 C ATOM 1084 C ASN A 71 3.448 -8.555 -5.238 1.00 0.00 C ATOM 1085 O ASN A 71 4.058 -7.806 -6.000 1.00 0.00 O ATOM 1086 CB ASN A 71 4.602 -10.365 -6.470 1.00 0.00 C ATOM 1087 CG ASN A 71 5.625 -11.402 -6.002 1.00 0.00 C ATOM 1088 OD1 ASN A 71 5.288 -12.483 -5.547 1.00 0.00 O ATOM 1089 ND2 ASN A 71 6.890 -11.014 -6.138 1.00 0.00 N ATOM 0 H ASN A 71 1.949 -11.357 -5.067 1.00 0.00 H new ATOM 0 HA ASN A 71 3.909 -10.524 -4.438 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.092 -10.729 -7.362 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.114 -9.444 -6.749 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.647 -11.635 -5.854 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.103 -10.095 -6.527 1.00 0.00 H new ATOM 1096 N ILE A 72 2.651 -8.145 -4.262 1.00 0.00 N ATOM 1097 CA ILE A 72 2.436 -6.729 -4.016 1.00 0.00 C ATOM 1098 C ILE A 72 3.243 -6.300 -2.790 1.00 0.00 C ATOM 1099 O ILE A 72 2.869 -6.605 -1.658 1.00 0.00 O ATOM 1100 CB ILE A 72 0.940 -6.426 -3.906 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.162 -7.080 -5.049 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.690 -4.918 -3.831 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.346 -6.923 -4.846 1.00 0.00 C ATOM 0 H ILE A 72 2.146 -8.769 -3.632 1.00 0.00 H new ATOM 0 HA ILE A 72 2.797 -6.137 -4.857 1.00 0.00 H new ATOM 0 HB ILE A 72 0.571 -6.860 -2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.454 -6.629 -5.997 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.416 -8.138 -5.108 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.381 -4.730 -3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.195 -4.509 -2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.078 -4.440 -4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.876 -7.397 -5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.638 -7.397 -3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.600 -5.864 -4.812 1.00 0.00 H new ATOM 1115 N ARG A 73 4.335 -5.598 -3.055 1.00 0.00 N ATOM 1116 CA ARG A 73 5.198 -5.124 -1.987 1.00 0.00 C ATOM 1117 C ARG A 73 4.359 -4.595 -0.821 1.00 0.00 C ATOM 1118 O ARG A 73 3.407 -3.843 -1.028 1.00 0.00 O ATOM 1119 CB ARG A 73 6.127 -4.013 -2.481 1.00 0.00 C ATOM 1120 CG ARG A 73 5.347 -2.725 -2.752 1.00 0.00 C ATOM 1121 CD ARG A 73 6.153 -1.773 -3.638 1.00 0.00 C ATOM 1122 NE ARG A 73 5.414 -1.500 -4.891 1.00 0.00 N ATOM 1123 CZ ARG A 73 5.989 -1.080 -6.026 1.00 0.00 C ATOM 1124 NH1 ARG A 73 7.314 -0.883 -6.073 1.00 0.00 N ATOM 1125 NH2 ARG A 73 5.240 -0.859 -7.115 1.00 0.00 N ATOM 0 H ARG A 73 4.642 -5.346 -3.995 1.00 0.00 H new ATOM 0 HA ARG A 73 5.803 -5.967 -1.652 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.901 -3.824 -1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.632 -4.335 -3.392 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.400 -2.964 -3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.108 -2.235 -1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.341 -0.840 -3.107 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.124 -2.211 -3.867 1.00 0.00 H new ATOM 0 HE ARG A 73 4.404 -1.640 -4.890 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.885 -1.053 -5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.752 -0.563 -6.937 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.232 -1.010 -7.080 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.678 -0.539 -7.979 1.00 0.00 H new ATOM 1139 N VAL A 74 4.741 -5.010 0.377 1.00 0.00 N ATOM 1140 CA VAL A 74 4.036 -4.589 1.576 1.00 0.00 C ATOM 1141 C VAL A 74 4.898 -3.585 2.344 1.00 0.00 C ATOM 1142 O VAL A 74 5.991 -3.921 2.799 1.00 0.00 O ATOM 1143 CB VAL A 74 3.650 -5.810 2.413 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.597 -5.445 3.461 1.00 0.00 C ATOM 1145 CG2 VAL A 74 3.164 -6.954 1.522 1.00 0.00 C ATOM 0 H VAL A 74 5.530 -5.634 0.544 1.00 0.00 H new ATOM 0 HA VAL A 74 3.106 -4.085 1.314 1.00 0.00 H new ATOM 0 HB VAL A 74 4.542 -6.151 2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.340 -6.330 4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.995 -4.678 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.704 -5.066 2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.896 -7.809 2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.291 -6.629 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.958 -7.240 0.832 1.00 0.00 H new ATOM 1155 N VAL A 75 4.375 -2.374 2.464 1.00 0.00 N ATOM 1156 CA VAL A 75 5.084 -1.319 3.169 1.00 0.00 C ATOM 1157 C VAL A 75 4.248 -0.860 4.365 1.00 0.00 C ATOM 1158 O VAL A 75 3.093 -1.258 4.509 1.00 0.00 O ATOM 1159 CB VAL A 75 5.423 -0.181 2.204 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.307 -0.679 1.059 1.00 0.00 C ATOM 1161 CG2 VAL A 75 4.152 0.480 1.669 1.00 0.00 C ATOM 0 H VAL A 75 3.469 -2.099 2.085 1.00 0.00 H new ATOM 0 HA VAL A 75 6.032 -1.690 3.558 1.00 0.00 H new ATOM 0 HB VAL A 75 5.984 0.572 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.533 0.149 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.235 -1.082 1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.783 -1.460 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.421 1.285 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.552 -0.260 1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.576 0.887 2.500 1.00 0.00 H new ATOM 1171 N SER A 76 4.864 -0.029 5.193 1.00 0.00 N ATOM 1172 CA SER A 76 4.191 0.489 6.372 1.00 0.00 C ATOM 1173 C SER A 76 3.422 1.764 6.018 1.00 0.00 C ATOM 1174 O SER A 76 3.553 2.285 4.911 1.00 0.00 O ATOM 1175 CB SER A 76 5.188 0.766 7.498 1.00 0.00 C ATOM 1176 OG SER A 76 5.325 2.160 7.759 1.00 0.00 O ATOM 0 H SER A 76 5.822 0.298 5.071 1.00 0.00 H new ATOM 0 HA SER A 76 3.488 -0.266 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.861 0.258 8.405 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.160 0.350 7.232 1.00 0.00 H new ATOM 0 HG SER A 76 5.763 2.594 6.997 1.00 0.00 H new ATOM 1182 N GLU A 77 2.638 2.229 6.979 1.00 0.00 N ATOM 1183 CA GLU A 77 1.848 3.433 6.783 1.00 0.00 C ATOM 1184 C GLU A 77 2.763 4.651 6.640 1.00 0.00 C ATOM 1185 O GLU A 77 2.395 5.638 6.006 1.00 0.00 O ATOM 1186 CB GLU A 77 0.851 3.628 7.927 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.457 4.235 7.417 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.414 5.763 7.480 1.00 0.00 C ATOM 1189 OE1 GLU A 77 -0.338 6.282 8.615 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -0.457 6.378 6.392 1.00 0.00 O ATOM 0 H GLU A 77 2.533 1.794 7.896 1.00 0.00 H new ATOM 0 HA GLU A 77 1.276 3.322 5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.649 2.670 8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.286 4.278 8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.635 3.915 6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.291 3.866 8.015 1.00 0.00 H new ATOM 1197 N ASP A 78 3.939 4.541 7.241 1.00 0.00 N ATOM 1198 CA ASP A 78 4.910 5.621 7.189 1.00 0.00 C ATOM 1199 C ASP A 78 5.191 5.978 5.728 1.00 0.00 C ATOM 1200 O ASP A 78 5.478 7.132 5.412 1.00 0.00 O ATOM 1201 CB ASP A 78 6.232 5.204 7.837 1.00 0.00 C ATOM 1202 CG ASP A 78 6.100 4.545 9.211 1.00 0.00 C ATOM 1203 OD1 ASP A 78 4.972 4.576 9.749 1.00 0.00 O ATOM 1204 OD2 ASP A 78 7.129 4.025 9.692 1.00 0.00 O ATOM 0 H ASP A 78 4.241 3.721 7.766 1.00 0.00 H new ATOM 0 HA ASP A 78 4.497 6.473 7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.745 4.514 7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.866 6.085 7.933 1.00 0.00 H new ATOM 1209 N PHE A 79 5.100 4.967 4.877 1.00 0.00 N ATOM 1210 CA PHE A 79 5.341 5.160 3.457 1.00 0.00 C ATOM 1211 C PHE A 79 4.633 6.417 2.947 1.00 0.00 C ATOM 1212 O PHE A 79 5.253 7.267 2.309 1.00 0.00 O ATOM 1213 CB PHE A 79 4.767 3.939 2.735 1.00 0.00 C ATOM 1214 CG PHE A 79 4.502 4.164 1.246 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.542 4.363 0.392 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.226 4.164 0.775 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.295 4.572 -0.991 1.00 0.00 C ATOM 1218 CE2 PHE A 79 2.979 4.373 -0.608 1.00 0.00 C ATOM 1219 CZ PHE A 79 4.019 4.573 -1.462 1.00 0.00 C ATOM 0 H PHE A 79 4.863 4.011 5.143 1.00 0.00 H new ATOM 0 HA PHE A 79 6.409 5.276 3.274 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.459 3.104 2.848 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.835 3.648 3.219 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.555 4.362 0.766 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.400 4.005 1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.121 4.730 -1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 79 1.966 4.373 -0.982 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.831 4.733 -2.514 1.00 0.00 H new ATOM 1229 N LEU A 80 3.345 6.496 3.247 1.00 0.00 N ATOM 1230 CA LEU A 80 2.547 7.635 2.827 1.00 0.00 C ATOM 1231 C LEU A 80 3.156 8.917 3.398 1.00 0.00 C ATOM 1232 O LEU A 80 3.236 9.932 2.706 1.00 0.00 O ATOM 1233 CB LEU A 80 1.079 7.430 3.207 1.00 0.00 C ATOM 1234 CG LEU A 80 0.340 6.323 2.453 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.823 5.776 3.283 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.118 6.808 1.076 1.00 0.00 C ATOM 0 H LEU A 80 2.834 5.789 3.776 1.00 0.00 H new ATOM 0 HA LEU A 80 2.561 7.730 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.027 7.213 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.548 8.368 3.047 1.00 0.00 H new ATOM 0 HG LEU A 80 1.035 5.499 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.331 4.991 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.442 5.367 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.526 6.581 3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.640 6.002 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.790 7.658 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.750 7.110 0.490 1.00 0.00 H new ATOM 1248 N GLN A 81 3.570 8.830 4.653 1.00 0.00 N ATOM 1249 CA GLN A 81 4.170 9.971 5.324 1.00 0.00 C ATOM 1250 C GLN A 81 5.460 10.387 4.614 1.00 0.00 C ATOM 1251 O GLN A 81 5.926 11.514 4.776 1.00 0.00 O ATOM 1252 CB GLN A 81 4.430 9.664 6.800 1.00 0.00 C ATOM 1253 CG GLN A 81 5.490 10.605 7.377 1.00 0.00 C ATOM 1254 CD GLN A 81 4.997 12.054 7.373 1.00 0.00 C ATOM 1255 OE1 GLN A 81 3.827 12.339 7.565 1.00 0.00 O ATOM 1256 NE2 GLN A 81 5.954 12.949 7.144 1.00 0.00 N ATOM 0 H GLN A 81 3.502 7.987 5.223 1.00 0.00 H new ATOM 0 HA GLN A 81 3.469 10.805 5.278 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.503 9.764 7.365 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.759 8.630 6.908 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.734 10.303 8.395 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.407 10.527 6.793 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.914 12.641 6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.728 13.943 7.121 1.00 0.00 H new ATOM 1265 N ASP A 82 6.000 9.454 3.844 1.00 0.00 N ATOM 1266 CA ASP A 82 7.227 9.710 3.109 1.00 0.00 C ATOM 1267 C ASP A 82 6.883 10.095 1.669 1.00 0.00 C ATOM 1268 O ASP A 82 7.326 11.132 1.177 1.00 0.00 O ATOM 1269 CB ASP A 82 8.113 8.463 3.066 1.00 0.00 C ATOM 1270 CG ASP A 82 9.397 8.553 3.894 1.00 0.00 C ATOM 1271 OD1 ASP A 82 9.304 8.299 5.114 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.441 8.875 3.287 1.00 0.00 O ATOM 0 H ASP A 82 5.611 8.520 3.713 1.00 0.00 H new ATOM 0 HA ASP A 82 7.761 10.515 3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.532 7.610 3.417 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.381 8.261 2.029 1.00 0.00 H new ATOM 1277 N VAL A 83 6.097 9.239 1.032 1.00 0.00 N ATOM 1278 CA VAL A 83 5.689 9.477 -0.342 1.00 0.00 C ATOM 1279 C VAL A 83 5.046 10.861 -0.446 1.00 0.00 C ATOM 1280 O VAL A 83 5.131 11.513 -1.486 1.00 0.00 O ATOM 1281 CB VAL A 83 4.766 8.352 -0.816 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.299 8.704 -0.565 1.00 0.00 C ATOM 1283 CG2 VAL A 83 5.008 8.029 -2.291 1.00 0.00 C ATOM 0 H VAL A 83 5.732 8.380 1.442 1.00 0.00 H new ATOM 0 HA VAL A 83 6.555 9.470 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 83 5.000 7.460 -0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.665 7.888 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.140 8.860 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.046 9.615 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.339 7.226 -2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.815 8.916 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.042 7.714 -2.430 1.00 0.00 H new ATOM 1293 N SER A 84 4.416 11.270 0.646 1.00 0.00 N ATOM 1294 CA SER A 84 3.759 12.565 0.691 1.00 0.00 C ATOM 1295 C SER A 84 4.760 13.645 1.104 1.00 0.00 C ATOM 1296 O SER A 84 4.582 14.818 0.778 1.00 0.00 O ATOM 1297 CB SER A 84 2.570 12.546 1.653 1.00 0.00 C ATOM 1298 OG SER A 84 1.661 13.614 1.400 1.00 0.00 O ATOM 0 H SER A 84 4.347 10.727 1.507 1.00 0.00 H new ATOM 0 HA SER A 84 3.381 12.792 -0.306 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.046 11.595 1.562 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.933 12.614 2.679 1.00 0.00 H new ATOM 0 HG SER A 84 2.160 14.407 1.114 1.00 0.00 H new ATOM 1304 N ALA A 85 5.790 13.212 1.816 1.00 0.00 N ATOM 1305 CA ALA A 85 6.819 14.128 2.277 1.00 0.00 C ATOM 1306 C ALA A 85 8.196 13.518 2.007 1.00 0.00 C ATOM 1307 O ALA A 85 8.942 13.222 2.940 1.00 0.00 O ATOM 1308 CB ALA A 85 6.599 14.439 3.759 1.00 0.00 C ATOM 0 H ALA A 85 5.934 12.239 2.085 1.00 0.00 H new ATOM 0 HA ALA A 85 6.764 15.072 1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.371 15.126 4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.619 14.897 3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.650 13.516 4.336 1.00 0.00 H new ATOM 1314 N SER A 86 8.493 13.349 0.727 1.00 0.00 N ATOM 1315 CA SER A 86 9.767 12.780 0.323 1.00 0.00 C ATOM 1316 C SER A 86 9.872 12.764 -1.204 1.00 0.00 C ATOM 1317 O SER A 86 9.049 12.148 -1.880 1.00 0.00 O ATOM 1318 CB SER A 86 9.942 11.367 0.882 1.00 0.00 C ATOM 1319 OG SER A 86 11.315 11.012 1.016 1.00 0.00 O ATOM 0 H SER A 86 7.873 13.596 -0.044 1.00 0.00 H new ATOM 0 HA SER A 86 10.564 13.403 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.453 11.299 1.854 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.446 10.653 0.225 1.00 0.00 H new ATOM 0 HG SER A 86 11.408 10.315 1.699 1.00 0.00 H new ATOM 1325 N THR A 87 10.892 13.448 -1.702 1.00 0.00 N ATOM 1326 CA THR A 87 11.115 13.519 -3.136 1.00 0.00 C ATOM 1327 C THR A 87 12.011 12.367 -3.595 1.00 0.00 C ATOM 1328 O THR A 87 12.899 12.559 -4.424 1.00 0.00 O ATOM 1329 CB THR A 87 11.689 14.901 -3.457 1.00 0.00 C ATOM 1330 OG1 THR A 87 11.447 15.063 -4.852 1.00 0.00 O ATOM 1331 CG2 THR A 87 13.214 14.943 -3.336 1.00 0.00 C ATOM 0 H THR A 87 11.573 13.957 -1.138 1.00 0.00 H new ATOM 0 HA THR A 87 10.182 13.402 -3.687 1.00 0.00 H new ATOM 0 HB THR A 87 11.251 15.641 -2.787 1.00 0.00 H new ATOM 0 HG1 THR A 87 11.795 14.286 -5.337 1.00 0.00 H new ATOM 0 HG21 THR A 87 13.570 15.945 -3.574 1.00 0.00 H new ATOM 0 HG22 THR A 87 13.505 14.687 -2.317 1.00 0.00 H new ATOM 0 HG23 THR A 87 13.654 14.227 -4.030 1.00 0.00 H new ATOM 1339 N LYS A 88 11.747 11.196 -3.035 1.00 0.00 N ATOM 1340 CA LYS A 88 12.519 10.013 -3.376 1.00 0.00 C ATOM 1341 C LYS A 88 11.718 9.151 -4.353 1.00 0.00 C ATOM 1342 O LYS A 88 10.496 9.266 -4.430 1.00 0.00 O ATOM 1343 CB LYS A 88 12.947 9.269 -2.109 1.00 0.00 C ATOM 1344 CG LYS A 88 13.803 10.164 -1.211 1.00 0.00 C ATOM 1345 CD LYS A 88 15.236 9.636 -1.115 1.00 0.00 C ATOM 1346 CE LYS A 88 15.535 9.113 0.291 1.00 0.00 C ATOM 1347 NZ LYS A 88 16.881 9.544 0.729 1.00 0.00 N ATOM 0 H LYS A 88 11.010 11.041 -2.348 1.00 0.00 H new ATOM 0 HA LYS A 88 13.443 10.294 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.064 8.937 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.509 8.375 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.812 11.180 -1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.363 10.213 -0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.383 8.838 -1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.938 10.431 -1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.784 9.481 0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.474 8.025 0.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.068 9.180 1.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.596 9.172 0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.927 10.583 0.739 1.00 0.00 H new ATOM 1361 N SER A 89 12.439 8.307 -5.077 1.00 0.00 N ATOM 1362 CA SER A 89 11.811 7.426 -6.047 1.00 0.00 C ATOM 1363 C SER A 89 10.998 6.349 -5.326 1.00 0.00 C ATOM 1364 O SER A 89 11.480 5.734 -4.376 1.00 0.00 O ATOM 1365 CB SER A 89 12.854 6.781 -6.961 1.00 0.00 C ATOM 1366 OG SER A 89 13.955 7.649 -7.212 1.00 0.00 O ATOM 0 H SER A 89 13.453 8.215 -5.011 1.00 0.00 H new ATOM 0 HA SER A 89 11.142 8.022 -6.668 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.216 5.860 -6.504 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.387 6.506 -7.907 1.00 0.00 H new ATOM 0 HG SER A 89 14.599 7.199 -7.798 1.00 0.00 H new ATOM 1372 N LEU A 90 9.778 6.154 -5.804 1.00 0.00 N ATOM 1373 CA LEU A 90 8.893 5.162 -5.217 1.00 0.00 C ATOM 1374 C LEU A 90 9.698 3.909 -4.871 1.00 0.00 C ATOM 1375 O LEU A 90 9.756 3.504 -3.711 1.00 0.00 O ATOM 1376 CB LEU A 90 7.702 4.893 -6.140 1.00 0.00 C ATOM 1377 CG LEU A 90 6.489 5.806 -5.952 1.00 0.00 C ATOM 1378 CD1 LEU A 90 6.115 5.924 -4.473 1.00 0.00 C ATOM 1379 CD2 LEU A 90 6.726 7.174 -6.594 1.00 0.00 C ATOM 0 H LEU A 90 9.381 6.666 -6.592 1.00 0.00 H new ATOM 0 HA LEU A 90 8.467 5.535 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.041 4.980 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.381 3.861 -5.995 1.00 0.00 H new ATOM 0 HG LEU A 90 5.640 5.354 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.250 6.579 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.873 4.937 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.955 6.341 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.848 7.803 -6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.593 7.647 -6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.906 7.049 -7.662 1.00 0.00 H new ATOM 1391 N GLN A 91 10.300 3.328 -5.899 1.00 0.00 N ATOM 1392 CA GLN A 91 11.100 2.128 -5.718 1.00 0.00 C ATOM 1393 C GLN A 91 11.942 2.239 -4.445 1.00 0.00 C ATOM 1394 O GLN A 91 12.107 1.260 -3.719 1.00 0.00 O ATOM 1395 CB GLN A 91 11.984 1.869 -6.939 1.00 0.00 C ATOM 1396 CG GLN A 91 11.618 0.543 -7.609 1.00 0.00 C ATOM 1397 CD GLN A 91 12.709 -0.506 -7.381 1.00 0.00 C ATOM 1398 OE1 GLN A 91 13.688 -0.588 -8.103 1.00 0.00 O ATOM 1399 NE2 GLN A 91 12.485 -1.301 -6.338 1.00 0.00 N ATOM 0 H GLN A 91 10.250 3.666 -6.860 1.00 0.00 H new ATOM 0 HA GLN A 91 10.426 1.278 -5.612 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.872 2.685 -7.653 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.031 1.851 -6.637 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.670 0.180 -7.211 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.476 0.699 -8.678 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.644 -1.178 -5.774 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.154 -2.033 -6.102 1.00 0.00 H new ATOM 1408 N GLU A 92 12.453 3.439 -4.214 1.00 0.00 N ATOM 1409 CA GLU A 92 13.274 3.690 -3.042 1.00 0.00 C ATOM 1410 C GLU A 92 12.398 3.782 -1.790 1.00 0.00 C ATOM 1411 O GLU A 92 12.678 3.133 -0.784 1.00 0.00 O ATOM 1412 CB GLU A 92 14.111 4.959 -3.220 1.00 0.00 C ATOM 1413 CG GLU A 92 15.096 4.807 -4.380 1.00 0.00 C ATOM 1414 CD GLU A 92 16.494 4.451 -3.870 1.00 0.00 C ATOM 1415 OE1 GLU A 92 16.571 3.548 -3.009 1.00 0.00 O ATOM 1416 OE2 GLU A 92 17.454 5.090 -4.351 1.00 0.00 O ATOM 0 H GLU A 92 12.314 4.249 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 92 13.963 2.854 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.454 5.809 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.656 5.171 -2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.745 4.031 -5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.138 5.735 -4.950 1.00 0.00 H new ATOM 1423 N LEU A 93 11.356 4.594 -1.894 1.00 0.00 N ATOM 1424 CA LEU A 93 10.438 4.779 -0.784 1.00 0.00 C ATOM 1425 C LEU A 93 9.957 3.412 -0.292 1.00 0.00 C ATOM 1426 O LEU A 93 10.009 3.125 0.903 1.00 0.00 O ATOM 1427 CB LEU A 93 9.302 5.724 -1.179 1.00 0.00 C ATOM 1428 CG LEU A 93 9.663 7.209 -1.260 1.00 0.00 C ATOM 1429 CD1 LEU A 93 8.430 8.056 -1.584 1.00 0.00 C ATOM 1430 CD2 LEU A 93 10.359 7.675 0.020 1.00 0.00 C ATOM 0 H LEU A 93 11.128 5.131 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 93 10.945 5.260 0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.916 5.411 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.491 5.606 -0.460 1.00 0.00 H new ATOM 0 HG LEU A 93 10.371 7.345 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.714 9.107 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.016 7.744 -2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.681 7.921 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.605 8.734 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.695 7.523 0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.274 7.101 0.166 1.00 0.00 H new ATOM 1442 N PHE A 94 9.500 2.606 -1.238 1.00 0.00 N ATOM 1443 CA PHE A 94 9.010 1.276 -0.916 1.00 0.00 C ATOM 1444 C PHE A 94 10.047 0.490 -0.110 1.00 0.00 C ATOM 1445 O PHE A 94 9.749 -0.007 0.974 1.00 0.00 O ATOM 1446 CB PHE A 94 8.762 0.557 -2.243 1.00 0.00 C ATOM 1447 CG PHE A 94 7.644 1.174 -3.086 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.557 1.721 -2.477 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.736 1.176 -4.443 1.00 0.00 C ATOM 1450 CE1 PHE A 94 5.519 2.294 -3.259 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.699 1.750 -5.224 1.00 0.00 C ATOM 1452 CZ PHE A 94 5.612 2.296 -4.616 1.00 0.00 C ATOM 0 H PHE A 94 9.458 2.848 -2.228 1.00 0.00 H new ATOM 0 HA PHE A 94 8.102 1.349 -0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.684 0.560 -2.824 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.516 -0.485 -2.039 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.484 1.719 -1.399 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.598 0.741 -4.926 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.656 2.728 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.773 1.753 -6.301 1.00 0.00 H new ATOM 0 HZ PHE A 94 4.822 2.731 -5.211 1.00 0.00 H new ATOM 1462 N LEU A 95 11.244 0.403 -0.672 1.00 0.00 N ATOM 1463 CA LEU A 95 12.326 -0.314 -0.019 1.00 0.00 C ATOM 1464 C LEU A 95 12.693 0.401 1.283 1.00 0.00 C ATOM 1465 O LEU A 95 13.179 -0.226 2.223 1.00 0.00 O ATOM 1466 CB LEU A 95 13.506 -0.490 -0.977 1.00 0.00 C ATOM 1467 CG LEU A 95 13.483 -1.750 -1.845 1.00 0.00 C ATOM 1468 CD1 LEU A 95 14.019 -1.460 -3.248 1.00 0.00 C ATOM 1469 CD2 LEU A 95 14.239 -2.896 -1.168 1.00 0.00 C ATOM 0 H LEU A 95 11.488 0.817 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 95 12.009 -1.322 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.548 0.379 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.426 -0.492 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 95 12.447 -2.069 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 95 13.992 -2.372 -3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.401 -0.698 -3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.047 -1.103 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.207 -3.779 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.276 -2.602 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.772 -3.124 -0.210 1.00 0.00 H new ATOM 1481 N ALA A 96 12.446 1.702 1.296 1.00 0.00 N ATOM 1482 CA ALA A 96 12.744 2.508 2.468 1.00 0.00 C ATOM 1483 C ALA A 96 11.682 2.255 3.540 1.00 0.00 C ATOM 1484 O ALA A 96 11.822 2.706 4.676 1.00 0.00 O ATOM 1485 CB ALA A 96 12.827 3.982 2.066 1.00 0.00 C ATOM 0 H ALA A 96 12.043 2.218 0.514 1.00 0.00 H new ATOM 0 HA ALA A 96 13.710 2.230 2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.050 4.587 2.945 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.616 4.113 1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.874 4.298 1.641 1.00 0.00 H new ATOM 1491 N HIS A 97 10.644 1.535 3.140 1.00 0.00 N ATOM 1492 CA HIS A 97 9.559 1.216 4.052 1.00 0.00 C ATOM 1493 C HIS A 97 8.936 -0.125 3.660 1.00 0.00 C ATOM 1494 O HIS A 97 7.722 -0.301 3.757 1.00 0.00 O ATOM 1495 CB HIS A 97 8.537 2.354 4.099 1.00 0.00 C ATOM 1496 CG HIS A 97 9.133 3.702 4.425 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.378 4.120 5.722 1.00 0.00 N ATOM 1498 CD2 HIS A 97 9.532 4.721 3.611 1.00 0.00 C ATOM 1499 CE1 HIS A 97 9.899 5.337 5.678 1.00 0.00 C ATOM 1500 NE2 HIS A 97 9.993 5.708 4.369 1.00 0.00 N ATOM 0 H HIS A 97 10.532 1.164 2.197 1.00 0.00 H new ATOM 0 HA HIS A 97 9.949 1.113 5.065 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.032 2.415 3.135 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.777 2.115 4.842 1.00 0.00 H new ATOM 0 HD1 HIS A 97 9.189 3.582 6.568 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.481 4.724 2.532 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.197 5.931 6.529 1.00 0.00 H new ATOM 1508 N ILE A 98 9.795 -1.035 3.226 1.00 0.00 N ATOM 1509 CA ILE A 98 9.344 -2.355 2.819 1.00 0.00 C ATOM 1510 C ILE A 98 9.304 -3.275 4.041 1.00 0.00 C ATOM 1511 O ILE A 98 10.320 -3.474 4.705 1.00 0.00 O ATOM 1512 CB ILE A 98 10.209 -2.888 1.675 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.567 -4.117 1.028 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.635 -3.170 2.153 1.00 0.00 C ATOM 1515 CD1 ILE A 98 9.104 -3.808 -0.396 1.00 0.00 C ATOM 0 H ILE A 98 10.801 -0.885 3.147 1.00 0.00 H new ATOM 0 HA ILE A 98 8.329 -2.306 2.424 1.00 0.00 H new ATOM 0 HB ILE A 98 10.273 -2.117 0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.283 -4.939 1.011 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.718 -4.446 1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.230 -3.548 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.081 -2.250 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.611 -3.914 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.652 -4.698 -0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.370 -3.002 -0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 98 9.960 -3.503 -0.999 1.00 0.00 H new ATOM 1527 N LEU A 99 8.121 -3.812 4.299 1.00 0.00 N ATOM 1528 CA LEU A 99 7.936 -4.707 5.429 1.00 0.00 C ATOM 1529 C LEU A 99 8.068 -6.155 4.955 1.00 0.00 C ATOM 1530 O LEU A 99 8.439 -7.035 5.730 1.00 0.00 O ATOM 1531 CB LEU A 99 6.613 -4.409 6.137 1.00 0.00 C ATOM 1532 CG LEU A 99 6.444 -2.986 6.674 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.999 -2.731 7.105 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.438 -2.705 7.802 1.00 0.00 C ATOM 0 H LEU A 99 7.281 -3.645 3.745 1.00 0.00 H new ATOM 0 HA LEU A 99 8.714 -4.544 6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.798 -4.613 5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.504 -5.105 6.969 1.00 0.00 H new ATOM 0 HG LEU A 99 6.667 -2.287 5.868 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.906 -1.713 7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.336 -2.863 6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.724 -3.435 7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.297 -1.687 8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.271 -3.409 8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.455 -2.819 7.427 1.00 0.00 H new ATOM 1546 N SER A 100 7.756 -6.358 3.683 1.00 0.00 N ATOM 1547 CA SER A 100 7.834 -7.685 3.096 1.00 0.00 C ATOM 1548 C SER A 100 9.132 -7.828 2.298 1.00 0.00 C ATOM 1549 O SER A 100 9.810 -6.839 2.026 1.00 0.00 O ATOM 1550 CB SER A 100 6.627 -7.963 2.198 1.00 0.00 C ATOM 1551 OG SER A 100 6.410 -6.916 1.256 1.00 0.00 O ATOM 0 H SER A 100 7.449 -5.626 3.043 1.00 0.00 H new ATOM 0 HA SER A 100 7.828 -8.417 3.904 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.779 -8.903 1.667 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.737 -8.086 2.815 1.00 0.00 H new ATOM 0 HG SER A 100 6.156 -7.301 0.391 1.00 0.00 H new ATOM 1557 N SER A 101 9.439 -9.068 1.946 1.00 0.00 N ATOM 1558 CA SER A 101 10.644 -9.353 1.185 1.00 0.00 C ATOM 1559 C SER A 101 10.311 -9.449 -0.305 1.00 0.00 C ATOM 1560 O SER A 101 11.201 -9.365 -1.150 1.00 0.00 O ATOM 1561 CB SER A 101 11.305 -10.647 1.665 1.00 0.00 C ATOM 1562 OG SER A 101 12.642 -10.430 2.108 1.00 0.00 O ATOM 0 H SER A 101 8.874 -9.886 2.174 1.00 0.00 H new ATOM 0 HA SER A 101 11.349 -8.536 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.718 -11.074 2.478 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.305 -11.376 0.855 1.00 0.00 H new ATOM 0 HG SER A 101 13.029 -11.279 2.408 1.00 0.00 H new ATOM 1568 N TRP A 102 9.027 -9.624 -0.582 1.00 0.00 N ATOM 1569 CA TRP A 102 8.566 -9.732 -1.956 1.00 0.00 C ATOM 1570 C TRP A 102 8.184 -8.331 -2.438 1.00 0.00 C ATOM 1571 O TRP A 102 8.549 -7.335 -1.815 1.00 0.00 O ATOM 1572 CB TRP A 102 7.418 -10.737 -2.072 1.00 0.00 C ATOM 1573 CG TRP A 102 6.083 -10.222 -1.530 1.00 0.00 C ATOM 1574 CD1 TRP A 102 5.188 -9.440 -2.149 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.524 -10.488 -0.226 1.00 0.00 C ATOM 1576 NE1 TRP A 102 4.098 -9.182 -1.343 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.309 -9.840 -0.137 1.00 0.00 C ATOM 1578 CE3 TRP A 102 6.028 -11.250 0.842 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.497 -9.888 1.003 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 5.205 -11.288 1.973 1.00 0.00 C ATOM 1581 CH2 TRP A 102 3.979 -10.641 2.079 1.00 0.00 C ATOM 0 H TRP A 102 8.292 -9.694 0.121 1.00 0.00 H new ATOM 0 HA TRP A 102 9.357 -10.118 -2.599 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.292 -11.010 -3.120 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.689 -11.647 -1.536 1.00 0.00 H new ATOM 0 HD1 TRP A 102 5.305 -9.059 -3.153 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.287 -8.613 -1.587 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.976 -11.766 0.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.550 -9.371 1.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.546 -11.860 2.823 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.401 -10.719 2.988 1.00 0.00 H new ATOM 1592 N GLY A 103 7.454 -8.299 -3.543 1.00 0.00 N ATOM 1593 CA GLY A 103 7.018 -7.036 -4.116 1.00 0.00 C ATOM 1594 C GLY A 103 8.036 -6.516 -5.133 1.00 0.00 C ATOM 1595 O GLY A 103 8.565 -5.416 -4.980 1.00 0.00 O ATOM 0 H GLY A 103 7.153 -9.127 -4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 103 6.050 -7.167 -4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.882 -6.300 -3.323 1.00 0.00 H new ATOM 1599 N ALA A 104 8.279 -7.331 -6.149 1.00 0.00 N ATOM 1600 CA ALA A 104 9.224 -6.966 -7.191 1.00 0.00 C ATOM 1601 C ALA A 104 8.647 -7.353 -8.554 1.00 0.00 C ATOM 1602 O ALA A 104 8.051 -8.419 -8.700 1.00 0.00 O ATOM 1603 CB ALA A 104 10.571 -7.638 -6.916 1.00 0.00 C ATOM 0 H ALA A 104 7.838 -8.242 -6.273 1.00 0.00 H new ATOM 0 HA ALA A 104 9.392 -5.889 -7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.280 -7.365 -7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.951 -7.308 -5.949 1.00 0.00 H new ATOM 0 HB3 ALA A 104 10.442 -8.720 -6.905 1.00 0.00 H new ATOM 1609 N GLU A 105 8.845 -6.465 -9.518 1.00 0.00 N ATOM 1610 CA GLU A 105 8.351 -6.700 -10.864 1.00 0.00 C ATOM 1611 C GLU A 105 8.694 -8.122 -11.314 1.00 0.00 C ATOM 1612 O GLU A 105 9.852 -8.533 -11.258 1.00 0.00 O ATOM 1613 CB GLU A 105 8.912 -5.666 -11.842 1.00 0.00 C ATOM 1614 CG GLU A 105 10.414 -5.469 -11.630 1.00 0.00 C ATOM 1615 CD GLU A 105 11.191 -5.747 -12.918 1.00 0.00 C ATOM 1616 OE1 GLU A 105 11.127 -6.907 -13.380 1.00 0.00 O ATOM 1617 OE2 GLU A 105 11.832 -4.794 -13.412 1.00 0.00 O ATOM 0 H GLU A 105 9.341 -5.582 -9.393 1.00 0.00 H new ATOM 0 HA GLU A 105 7.266 -6.593 -10.856 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.725 -5.990 -12.866 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.395 -4.716 -11.709 1.00 0.00 H new ATOM 0 HG2 GLU A 105 10.607 -4.449 -11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.763 -6.133 -10.840 1.00 0.00 H new ATOM 1624 N VAL A 106 7.665 -8.834 -11.751 1.00 0.00 N ATOM 1625 CA VAL A 106 7.842 -10.201 -12.211 1.00 0.00 C ATOM 1626 C VAL A 106 6.548 -10.686 -12.867 1.00 0.00 C ATOM 1627 O VAL A 106 6.190 -11.857 -12.750 1.00 0.00 O ATOM 1628 CB VAL A 106 8.293 -11.089 -11.050 1.00 0.00 C ATOM 1629 CG1 VAL A 106 7.168 -11.272 -10.030 1.00 0.00 C ATOM 1630 CG2 VAL A 106 8.798 -12.441 -11.558 1.00 0.00 C ATOM 0 H VAL A 106 6.706 -8.490 -11.796 1.00 0.00 H new ATOM 0 HA VAL A 106 8.627 -10.251 -12.966 1.00 0.00 H new ATOM 0 HB VAL A 106 9.121 -10.589 -10.548 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.515 -11.907 -9.215 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.875 -10.300 -9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.310 -11.739 -10.514 1.00 0.00 H new ATOM 0 HG21 VAL A 106 9.112 -13.053 -10.713 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.998 -12.949 -12.096 1.00 0.00 H new ATOM 0 HG23 VAL A 106 9.644 -12.285 -12.228 1.00 0.00 H new ATOM 1640 N LYS A 107 5.882 -9.761 -13.542 1.00 0.00 N ATOM 1641 CA LYS A 107 4.635 -10.079 -14.216 1.00 0.00 C ATOM 1642 C LYS A 107 4.782 -9.796 -15.713 1.00 0.00 C ATOM 1643 O LYS A 107 5.154 -8.691 -16.105 1.00 0.00 O ATOM 1644 CB LYS A 107 3.467 -9.338 -13.563 1.00 0.00 C ATOM 1645 CG LYS A 107 3.577 -7.829 -13.794 1.00 0.00 C ATOM 1646 CD LYS A 107 3.309 -7.055 -12.502 1.00 0.00 C ATOM 1647 CE LYS A 107 4.499 -7.156 -11.545 1.00 0.00 C ATOM 1648 NZ LYS A 107 4.210 -6.441 -10.282 1.00 0.00 N ATOM 0 H LYS A 107 6.183 -8.791 -13.637 1.00 0.00 H new ATOM 0 HA LYS A 107 4.407 -11.140 -14.112 1.00 0.00 H new ATOM 0 HB2 LYS A 107 2.525 -9.704 -13.972 1.00 0.00 H new ATOM 0 HB3 LYS A 107 3.453 -9.546 -12.493 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.572 -7.586 -14.168 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.865 -7.522 -14.560 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.113 -6.008 -12.735 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.414 -7.447 -12.018 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.717 -8.203 -11.335 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.387 -6.733 -12.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.027 -6.519 -9.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.024 -5.438 -10.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 3.375 -6.862 -9.828 1.00 0.00 H new ATOM 1662 N SER A 108 4.483 -10.813 -16.507 1.00 0.00 N ATOM 1663 CA SER A 108 4.578 -10.688 -17.952 1.00 0.00 C ATOM 1664 C SER A 108 6.018 -10.366 -18.356 1.00 0.00 C ATOM 1665 O SER A 108 6.809 -11.269 -18.621 1.00 0.00 O ATOM 1666 CB SER A 108 3.627 -9.610 -18.475 1.00 0.00 C ATOM 1667 OG SER A 108 2.430 -10.168 -19.010 1.00 0.00 O ATOM 0 H SER A 108 4.175 -11.728 -16.177 1.00 0.00 H new ATOM 0 HA SER A 108 4.286 -11.639 -18.397 1.00 0.00 H new ATOM 0 HB2 SER A 108 3.377 -8.924 -17.666 1.00 0.00 H new ATOM 0 HB3 SER A 108 4.130 -9.025 -19.245 1.00 0.00 H new ATOM 0 HG SER A 108 1.849 -9.448 -19.332 1.00 0.00 H new ATOM 1673 N GLY A 109 6.315 -9.075 -18.390 1.00 0.00 N ATOM 1674 CA GLY A 109 7.646 -8.622 -18.757 1.00 0.00 C ATOM 1675 C GLY A 109 7.766 -7.103 -18.619 1.00 0.00 C ATOM 1676 O GLY A 109 8.169 -6.601 -17.571 1.00 0.00 O ATOM 0 H GLY A 109 5.656 -8.328 -18.169 1.00 0.00 H new ATOM 0 HA2 GLY A 109 8.387 -9.108 -18.123 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.864 -8.916 -19.784 1.00 0.00 H new ATOM 1680 N PRO A 110 7.398 -6.395 -19.721 1.00 0.00 N ATOM 1681 CA PRO A 110 7.461 -4.944 -19.733 1.00 0.00 C ATOM 1682 C PRO A 110 6.315 -4.339 -18.919 1.00 0.00 C ATOM 1683 O PRO A 110 5.146 -4.616 -19.185 1.00 0.00 O ATOM 1684 CB PRO A 110 7.413 -4.560 -21.203 1.00 0.00 C ATOM 1685 CG PRO A 110 6.859 -5.773 -21.932 1.00 0.00 C ATOM 1686 CD PRO A 110 6.915 -6.956 -20.979 1.00 0.00 C ATOM 0 HA PRO A 110 8.366 -4.558 -19.264 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.779 -3.687 -21.358 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.406 -4.302 -21.572 1.00 0.00 H new ATOM 0 HG2 PRO A 110 5.834 -5.590 -22.253 1.00 0.00 H new ATOM 0 HG3 PRO A 110 7.442 -5.978 -22.830 1.00 0.00 H new ATOM 0 HD2 PRO A 110 5.933 -7.414 -20.858 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.585 -7.732 -21.350 1.00 0.00 H new ATOM 1694 N SER A 111 6.689 -3.523 -17.945 1.00 0.00 N ATOM 1695 CA SER A 111 5.708 -2.877 -17.091 1.00 0.00 C ATOM 1696 C SER A 111 5.159 -1.625 -17.779 1.00 0.00 C ATOM 1697 O SER A 111 5.898 -0.907 -18.450 1.00 0.00 O ATOM 1698 CB SER A 111 6.312 -2.514 -15.733 1.00 0.00 C ATOM 1699 OG SER A 111 6.234 -3.595 -14.808 1.00 0.00 O ATOM 0 H SER A 111 7.659 -3.294 -17.728 1.00 0.00 H new ATOM 0 HA SER A 111 4.891 -3.578 -16.919 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.355 -2.225 -15.866 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.791 -1.649 -15.324 1.00 0.00 H new ATOM 0 HG SER A 111 6.631 -3.324 -13.954 1.00 0.00 H new ATOM 1705 N SER A 112 3.867 -1.402 -17.588 1.00 0.00 N ATOM 1706 CA SER A 112 3.211 -0.249 -18.182 1.00 0.00 C ATOM 1707 C SER A 112 3.432 0.987 -17.308 1.00 0.00 C ATOM 1708 O SER A 112 4.071 1.947 -17.735 1.00 0.00 O ATOM 1709 CB SER A 112 1.714 -0.504 -18.371 1.00 0.00 C ATOM 1710 OG SER A 112 1.245 -0.020 -19.626 1.00 0.00 O ATOM 0 H SER A 112 3.257 -2.000 -17.031 1.00 0.00 H new ATOM 0 HA SER A 112 3.650 -0.075 -19.164 1.00 0.00 H new ATOM 0 HB2 SER A 112 1.516 -1.573 -18.298 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.159 -0.022 -17.566 1.00 0.00 H new ATOM 0 HG SER A 112 0.286 -0.203 -19.709 1.00 0.00 H new ATOM 1716 N GLY A 113 2.893 0.922 -16.100 1.00 0.00 N ATOM 1717 CA GLY A 113 3.023 2.025 -15.162 1.00 0.00 C ATOM 1718 C GLY A 113 4.445 2.591 -15.176 1.00 0.00 C ATOM 1719 O GLY A 113 5.385 1.907 -15.577 1.00 0.00 O ATOM 0 H GLY A 113 2.365 0.123 -15.749 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.312 2.811 -15.418 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.773 1.684 -14.157 1.00 0.00 H new TER 1723 GLY A 113