USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 731 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 55 TYR OH : rot 75:sc= 0.837 USER MOD Set 1.2: A 80 TYR OH : rot -37:sc= 0.377 USER MOD Set 2.1: A 28 THR OG1 : rot 127:sc= 0.891 USER MOD Set 2.2: A 66 SER OG : rot 180:sc= 0.874 USER MOD Set 3.1: A 26 THR OG1 : rot -26:sc= 0.953 USER MOD Set 3.2: A 68 HIS : no HD1:sc= 0.782 K(o=1.7,f=-4.3!) USER MOD Single : A 12 MET CE :methyl 178:sc= -0.139 (180deg=-0.15) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.399 K(o=-0.4,f=-4.1!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -117:sc= -0.204 (180deg=-0.394) USER MOD Single : A 29 CYS SG : rot -31:sc= -3.05 USER MOD Single : A 34 ASN : amide:sc= -0.0383 K(o=-0.038,f=-1.7!) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= 0.946 (180deg=0.492) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= 1.86 (180deg=1.83) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.526 USER MOD Single : A 54 HIS : no HD1:sc= -0.0848 K(o=-0.085,f=-1.9!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc=-0.00356 X(o=-0.0036,f=-0.072) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.628 USER MOD Single : A 65 CYS SG : rot 160:sc= 0.554 USER MOD Single : A 69 THR OG1 : rot -83:sc= 0.0641 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -50:sc= 0.799 USER MOD Single : A 79 ASN : amide:sc= -0.019 K(o=-0.019,f=-1.5) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 168:sc= -0.121 (180deg=-0.368) USER MOD Single : A 86 ASN : amide:sc= -0.794! C(o=-0.79!,f=-9.4!) USER MOD Single : A 88 GLN : amide:sc= -0.0608 X(o=-0.061,f=-0.13) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= -0.193 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 163:sc= -0.0171 (180deg=-0.362) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 -1.759 9.553 4.035 1.00 0.00 N ATOM 67 CA ALA A 7 -3.126 9.843 3.621 1.00 0.00 C ATOM 68 C ALA A 7 -3.751 10.918 4.499 1.00 0.00 C ATOM 69 O ALA A 7 -3.475 10.993 5.695 1.00 0.00 O ATOM 70 CB ALA A 7 -3.971 8.577 3.647 1.00 0.00 C ATOM 0 HA ALA A 7 -3.094 10.221 2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.989 8.812 3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.544 7.840 2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.986 8.171 4.658 1.00 0.00 H new ATOM 76 N PRO A 8 -4.593 11.752 3.896 1.00 0.00 N ATOM 77 CA PRO A 8 -5.261 12.825 4.622 1.00 0.00 C ATOM 78 C PRO A 8 -5.999 12.288 5.844 1.00 0.00 C ATOM 79 O PRO A 8 -6.762 11.323 5.746 1.00 0.00 O ATOM 80 CB PRO A 8 -6.217 13.435 3.593 1.00 0.00 C ATOM 81 CG PRO A 8 -5.580 13.145 2.277 1.00 0.00 C ATOM 82 CD PRO A 8 -4.937 11.793 2.435 1.00 0.00 C ATOM 0 HA PRO A 8 -4.564 13.564 5.017 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.210 12.990 3.660 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.337 14.507 3.749 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.319 13.138 1.476 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.841 13.904 2.022 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.617 10.988 2.158 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.051 11.692 1.809 1.00 0.00 H new ATOM 90 N PHE A 9 -5.769 12.912 6.994 1.00 0.00 N ATOM 91 CA PHE A 9 -6.494 12.572 8.209 1.00 0.00 C ATOM 92 C PHE A 9 -6.511 13.745 9.183 1.00 0.00 C ATOM 93 O PHE A 9 -5.465 14.259 9.573 1.00 0.00 O ATOM 94 CB PHE A 9 -5.873 11.342 8.874 1.00 0.00 C ATOM 95 CG PHE A 9 -6.544 10.945 10.158 1.00 0.00 C ATOM 96 CD1 PHE A 9 -7.734 10.233 10.146 1.00 0.00 C ATOM 97 CD2 PHE A 9 -5.986 11.284 11.382 1.00 0.00 C ATOM 98 CE1 PHE A 9 -8.351 9.868 11.327 1.00 0.00 C ATOM 99 CE2 PHE A 9 -6.600 10.918 12.564 1.00 0.00 C ATOM 100 CZ PHE A 9 -7.785 10.209 12.536 1.00 0.00 C ATOM 0 H PHE A 9 -5.083 13.658 7.109 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.524 12.343 7.934 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.915 10.504 8.178 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.819 11.540 9.071 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.184 9.961 9.203 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.061 11.840 11.411 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.278 9.315 11.303 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.153 11.186 13.510 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.267 9.923 13.459 1.00 0.00 H new ATOM 110 N PHE A 10 -7.711 14.160 9.577 1.00 0.00 N ATOM 111 CA PHE A 10 -7.872 15.298 10.474 1.00 0.00 C ATOM 112 C PHE A 10 -7.406 14.957 11.885 1.00 0.00 C ATOM 113 O PHE A 10 -8.080 14.230 12.613 1.00 0.00 O ATOM 114 CB PHE A 10 -9.332 15.756 10.499 1.00 0.00 C ATOM 115 CG PHE A 10 -9.741 16.541 9.284 1.00 0.00 C ATOM 116 CD1 PHE A 10 -9.411 17.883 9.163 1.00 0.00 C ATOM 117 CD2 PHE A 10 -10.456 15.938 8.259 1.00 0.00 C ATOM 118 CE1 PHE A 10 -9.788 18.605 8.048 1.00 0.00 C ATOM 119 CE2 PHE A 10 -10.832 16.659 7.143 1.00 0.00 C ATOM 120 CZ PHE A 10 -10.498 17.992 7.036 1.00 0.00 C ATOM 0 H PHE A 10 -8.587 13.724 9.288 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.252 16.111 10.097 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.976 14.881 10.589 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.497 16.366 11.387 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.853 18.369 9.950 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.721 14.894 8.335 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.527 19.650 7.968 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.389 16.178 6.353 1.00 0.00 H new ATOM 0 HZ PHE A 10 -10.791 18.555 6.162 1.00 0.00 H new ATOM 130 N GLU A 11 -6.247 15.486 12.262 1.00 0.00 N ATOM 131 CA GLU A 11 -5.787 15.416 13.643 1.00 0.00 C ATOM 132 C GLU A 11 -6.608 16.334 14.543 1.00 0.00 C ATOM 133 O GLU A 11 -6.636 16.164 15.761 1.00 0.00 O ATOM 134 CB GLU A 11 -4.303 15.781 13.732 1.00 0.00 C ATOM 135 CG GLU A 11 -4.000 17.251 13.474 1.00 0.00 C ATOM 136 CD GLU A 11 -2.539 17.548 13.660 1.00 0.00 C ATOM 137 OE1 GLU A 11 -2.037 17.318 14.733 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.898 17.898 12.697 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.609 15.968 11.629 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.920 14.391 13.989 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.935 15.515 14.723 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.749 15.177 13.013 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.300 17.514 12.460 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.588 17.870 14.151 1.00 0.00 H new ATOM 145 N MET A 12 -7.274 17.309 13.933 1.00 0.00 N ATOM 146 CA MET A 12 -8.214 18.162 14.653 1.00 0.00 C ATOM 147 C MET A 12 -9.444 18.461 13.808 1.00 0.00 C ATOM 148 O MET A 12 -9.354 19.122 12.775 1.00 0.00 O ATOM 149 CB MET A 12 -7.531 19.463 15.072 1.00 0.00 C ATOM 150 CG MET A 12 -8.423 20.418 15.853 1.00 0.00 C ATOM 151 SD MET A 12 -7.552 21.908 16.380 1.00 0.00 S ATOM 152 CE MET A 12 -7.475 22.818 14.841 1.00 0.00 C ATOM 0 H MET A 12 -7.180 17.529 12.941 1.00 0.00 H new ATOM 0 HA MET A 12 -8.540 17.628 15.545 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.658 19.222 15.679 1.00 0.00 H new ATOM 0 HB3 MET A 12 -7.168 19.972 14.179 1.00 0.00 H new ATOM 0 HG2 MET A 12 -9.276 20.700 15.235 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.819 19.905 16.729 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.994 23.781 15.012 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.899 22.250 14.111 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.484 22.978 14.462 1.00 0.00 H new ATOM 162 N LYS A 13 -10.596 17.969 14.257 1.00 0.00 N ATOM 163 CA LYS A 13 -11.831 18.097 13.494 1.00 0.00 C ATOM 164 C LYS A 13 -12.673 19.267 13.998 1.00 0.00 C ATOM 165 O LYS A 13 -12.363 19.868 15.026 1.00 0.00 O ATOM 166 CB LYS A 13 -12.637 16.799 13.561 1.00 0.00 C ATOM 167 CG LYS A 13 -11.946 15.595 12.936 1.00 0.00 C ATOM 168 CD LYS A 13 -12.855 14.377 12.927 1.00 0.00 C ATOM 169 CE LYS A 13 -12.189 13.192 12.244 1.00 0.00 C ATOM 170 NZ LYS A 13 -13.069 11.991 12.227 1.00 0.00 N1+ ATOM 0 H LYS A 13 -10.698 17.478 15.145 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.564 18.294 12.456 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.856 16.575 14.605 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.593 16.953 13.061 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.646 15.835 11.916 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.036 15.367 13.491 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.117 14.109 13.951 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.785 14.619 12.413 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.926 13.464 11.222 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.259 12.953 12.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.577 11.207 11.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.299 11.716 13.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.946 12.211 11.713 1.00 0.00 H new ATOM 184 N LEU A 14 -13.734 19.584 13.262 1.00 0.00 N ATOM 185 CA LEU A 14 -14.610 20.688 13.626 1.00 0.00 C ATOM 186 C LEU A 14 -15.547 20.296 14.761 1.00 0.00 C ATOM 187 O LEU A 14 -15.958 19.142 14.872 1.00 0.00 O ATOM 188 CB LEU A 14 -15.413 21.149 12.403 1.00 0.00 C ATOM 189 CG LEU A 14 -14.580 21.732 11.256 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.472 22.025 10.058 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.880 22.998 11.728 1.00 0.00 C ATOM 0 H LEU A 14 -14.006 19.091 12.411 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.990 21.514 13.975 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.983 20.301 12.022 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.135 21.900 12.724 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.826 21.007 10.950 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.870 22.439 9.249 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.946 21.102 9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.240 22.744 10.343 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.288 23.412 10.912 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.624 23.729 12.044 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.226 22.761 12.567 1.00 0.00 H new ATOM 203 N LYS A 15 -15.882 21.266 15.607 1.00 0.00 N ATOM 204 CA LYS A 15 -16.749 21.019 16.752 1.00 0.00 C ATOM 205 C LYS A 15 -18.148 21.570 16.515 1.00 0.00 C ATOM 206 O LYS A 15 -18.364 22.366 15.601 1.00 0.00 O ATOM 207 CB LYS A 15 -16.150 21.634 18.018 1.00 0.00 C ATOM 208 CG LYS A 15 -14.789 21.071 18.408 1.00 0.00 C ATOM 209 CD LYS A 15 -14.289 21.684 19.707 1.00 0.00 C ATOM 210 CE LYS A 15 -12.963 21.071 20.134 1.00 0.00 C ATOM 211 NZ LYS A 15 -12.475 21.641 21.420 1.00 0.00 N1+ ATOM 0 H LYS A 15 -15.565 22.232 15.520 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.827 19.940 16.884 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.057 22.711 17.875 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.843 21.481 18.845 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.859 19.989 18.517 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.071 21.266 17.611 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.171 22.760 19.582 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.031 21.534 20.491 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.078 19.992 20.236 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.218 21.240 19.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.570 21.197 21.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.340 22.667 21.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.174 21.458 22.168 1.00 0.00 H new ATOM 225 N HIS A 16 -19.095 21.140 17.344 1.00 0.00 N ATOM 226 CA HIS A 16 -20.460 21.644 17.270 1.00 0.00 C ATOM 227 C HIS A 16 -20.642 22.869 18.154 1.00 0.00 C ATOM 228 O HIS A 16 -20.633 22.768 19.382 1.00 0.00 O ATOM 229 CB HIS A 16 -21.462 20.555 17.670 1.00 0.00 C ATOM 230 CG HIS A 16 -22.892 20.979 17.543 1.00 0.00 C ATOM 231 ND1 HIS A 16 -23.934 20.246 18.071 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.454 22.057 16.949 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.076 20.857 17.807 1.00 0.00 C ATOM 234 NE2 HIS A 16 -24.812 21.958 17.127 1.00 0.00 N ATOM 0 H HIS A 16 -18.941 20.444 18.074 1.00 0.00 H new ATOM 0 HA HIS A 16 -20.649 21.935 16.237 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.296 19.675 17.049 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.270 20.258 18.701 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -23.838 19.370 18.585 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -22.932 22.848 16.431 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.058 20.514 18.098 1.00 0.00 H new ATOM 242 N TYR A 17 -20.812 24.029 17.528 1.00 0.00 N ATOM 243 CA TYR A 17 -20.906 25.289 18.252 1.00 0.00 C ATOM 244 C TYR A 17 -22.355 25.737 18.397 1.00 0.00 C ATOM 245 O TYR A 17 -23.172 25.519 17.501 1.00 0.00 O ATOM 246 CB TYR A 17 -20.088 26.373 17.547 1.00 0.00 C ATOM 247 CG TYR A 17 -18.597 26.121 17.558 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.989 25.396 16.543 1.00 0.00 C ATOM 249 CD2 TYR A 17 -17.800 26.610 18.582 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.628 25.163 16.548 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.438 26.384 18.598 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.855 25.659 17.578 1.00 0.00 C ATOM 253 OH TYR A 17 -14.498 25.431 17.588 1.00 0.00 O ATOM 0 H TYR A 17 -20.888 24.121 16.515 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.499 25.130 19.251 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.425 26.454 16.514 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -20.288 27.333 18.024 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -18.591 25.007 15.735 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.253 27.178 19.381 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -16.171 24.596 15.750 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.832 26.772 19.404 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.102 25.849 18.381 1.00 0.00 H new ATOM 263 N LYS A 18 -22.667 26.360 19.526 1.00 0.00 N ATOM 264 CA LYS A 18 -23.996 26.914 19.755 1.00 0.00 C ATOM 265 C LYS A 18 -23.960 28.436 19.789 1.00 0.00 C ATOM 266 O LYS A 18 -23.766 29.038 20.844 1.00 0.00 O ATOM 267 CB LYS A 18 -24.584 26.372 21.059 1.00 0.00 C ATOM 268 CG LYS A 18 -24.829 24.868 21.061 1.00 0.00 C ATOM 269 CD LYS A 18 -25.436 24.409 22.378 1.00 0.00 C ATOM 270 CE LYS A 18 -25.639 22.902 22.399 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.372 22.455 23.615 1.00 0.00 N1+ ATOM 0 H LYS A 18 -22.016 26.495 20.300 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.633 26.607 18.925 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.909 26.619 21.878 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -25.527 26.882 21.258 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.495 24.605 20.240 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.889 24.344 20.889 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.785 24.702 23.202 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.392 24.909 22.534 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.192 22.598 21.510 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -24.670 22.405 22.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -26.489 21.422 23.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -25.832 22.722 24.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.307 22.909 23.643 1.00 0.00 H new ATOM 285 N ILE A 19 -24.149 29.052 18.628 1.00 0.00 N ATOM 286 CA ILE A 19 -23.916 30.485 18.474 1.00 0.00 C ATOM 287 C ILE A 19 -25.223 31.239 18.285 1.00 0.00 C ATOM 288 O ILE A 19 -26.128 30.773 17.590 1.00 0.00 O ATOM 289 CB ILE A 19 -22.989 30.784 17.282 1.00 0.00 C ATOM 290 CG1 ILE A 19 -21.696 29.973 17.395 1.00 0.00 C ATOM 291 CG2 ILE A 19 -22.682 32.272 17.207 1.00 0.00 C ATOM 292 CD1 ILE A 19 -20.904 30.258 18.651 1.00 0.00 C ATOM 0 H ILE A 19 -24.463 28.582 17.779 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.434 30.822 19.392 1.00 0.00 H new ATOM 0 HB ILE A 19 -23.500 30.492 16.364 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -21.940 28.911 17.364 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -21.070 30.182 16.527 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -22.025 32.466 16.359 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -23.610 32.829 17.082 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -22.190 32.589 18.126 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -20.002 29.646 18.659 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -20.627 31.312 18.675 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -21.511 30.022 19.525 1.00 0.00 H new ATOM 304 N PHE A 20 -25.325 32.409 18.911 1.00 0.00 N ATOM 305 CA PHE A 20 -26.515 33.242 18.792 1.00 0.00 C ATOM 306 C PHE A 20 -26.537 33.986 17.465 1.00 0.00 C ATOM 307 O PHE A 20 -25.502 34.447 16.983 1.00 0.00 O ATOM 308 CB PHE A 20 -26.590 34.235 19.954 1.00 0.00 C ATOM 309 CG PHE A 20 -27.044 33.622 21.247 1.00 0.00 C ATOM 310 CD1 PHE A 20 -28.376 33.291 21.445 1.00 0.00 C ATOM 311 CD2 PHE A 20 -26.140 33.376 22.269 1.00 0.00 C ATOM 312 CE1 PHE A 20 -28.796 32.729 22.634 1.00 0.00 C ATOM 313 CE2 PHE A 20 -26.557 32.812 23.460 1.00 0.00 C ATOM 314 CZ PHE A 20 -27.884 32.488 23.643 1.00 0.00 C ATOM 0 H PHE A 20 -24.595 32.801 19.507 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.386 32.587 18.828 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.607 34.683 20.101 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -27.272 35.042 19.686 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -29.094 33.475 20.659 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -25.099 33.628 22.133 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -29.837 32.478 22.775 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -25.842 32.625 24.248 1.00 0.00 H new ATOM 0 HZ PHE A 20 -28.210 32.047 24.573 1.00 0.00 H new ATOM 324 N GLU A 21 -27.723 34.096 16.876 1.00 0.00 N ATOM 325 CA GLU A 21 -27.880 34.774 15.591 1.00 0.00 C ATOM 326 C GLU A 21 -27.252 36.161 15.620 1.00 0.00 C ATOM 327 O GLU A 21 -27.569 36.981 16.483 1.00 0.00 O ATOM 328 CB GLU A 21 -29.359 34.876 15.214 1.00 0.00 C ATOM 329 CG GLU A 21 -30.225 35.580 16.250 1.00 0.00 C ATOM 330 CD GLU A 21 -31.648 35.699 15.783 1.00 0.00 C ATOM 331 OE1 GLU A 21 -31.926 35.299 14.678 1.00 0.00 O ATOM 332 OE2 GLU A 21 -32.480 36.087 16.569 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.590 33.725 17.266 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.363 34.180 14.837 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -29.444 35.407 14.266 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -29.751 33.872 15.053 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -30.193 35.028 17.189 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.822 36.573 16.450 1.00 0.00 H new ATOM 339 N GLY A 22 -26.358 36.419 14.672 1.00 0.00 N ATOM 340 CA GLY A 22 -25.723 37.726 14.554 1.00 0.00 C ATOM 341 C GLY A 22 -24.349 37.733 15.219 1.00 0.00 C ATOM 342 O GLY A 22 -23.506 38.574 14.914 1.00 0.00 O ATOM 0 H GLY A 22 -26.057 35.740 13.974 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.622 37.991 13.501 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.357 38.484 15.014 1.00 0.00 H new ATOM 346 N MET A 23 -24.134 36.788 16.127 1.00 0.00 N ATOM 347 CA MET A 23 -22.885 36.712 16.872 1.00 0.00 C ATOM 348 C MET A 23 -21.768 36.122 16.021 1.00 0.00 C ATOM 349 O MET A 23 -21.966 35.132 15.318 1.00 0.00 O ATOM 350 CB MET A 23 -23.077 35.883 18.140 1.00 0.00 C ATOM 351 CG MET A 23 -21.878 35.880 19.079 1.00 0.00 C ATOM 352 SD MET A 23 -22.167 34.909 20.571 1.00 0.00 S ATOM 353 CE MET A 23 -23.293 35.981 21.460 1.00 0.00 C ATOM 0 H MET A 23 -24.811 36.063 16.365 1.00 0.00 H new ATOM 0 HA MET A 23 -22.596 37.726 17.149 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.944 36.263 18.680 1.00 0.00 H new ATOM 0 HB3 MET A 23 -23.303 34.855 17.856 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.010 35.481 18.553 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.638 36.906 19.359 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.830 36.300 22.394 1.00 0.00 H new ATOM 0 HE2 MET A 23 -23.520 36.855 20.850 1.00 0.00 H new ATOM 0 HE3 MET A 23 -24.214 35.441 21.677 1.00 0.00 H new ATOM 363 N PRO A 24 -20.593 36.739 16.089 1.00 0.00 N ATOM 364 CA PRO A 24 -19.418 36.224 15.395 1.00 0.00 C ATOM 365 C PRO A 24 -18.898 34.955 16.061 1.00 0.00 C ATOM 366 O PRO A 24 -19.043 34.770 17.265 1.00 0.00 O ATOM 367 CB PRO A 24 -18.405 37.371 15.473 1.00 0.00 C ATOM 368 CG PRO A 24 -18.758 38.095 16.727 1.00 0.00 C ATOM 369 CD PRO A 24 -20.257 38.006 16.830 1.00 0.00 C ATOM 0 HA PRO A 24 -19.628 35.936 14.365 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.382 36.996 15.506 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.477 38.024 14.604 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.277 37.640 17.593 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.428 39.133 16.688 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.585 37.961 17.869 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.741 38.873 16.380 1.00 0.00 H new ATOM 377 N VAL A 25 -18.287 34.085 15.261 1.00 0.00 N ATOM 378 CA VAL A 25 -17.690 32.859 15.778 1.00 0.00 C ATOM 379 C VAL A 25 -16.535 32.395 14.898 1.00 0.00 C ATOM 380 O VAL A 25 -16.655 32.347 13.675 1.00 0.00 O ATOM 381 CB VAL A 25 -18.729 31.727 15.885 1.00 0.00 C ATOM 382 CG1 VAL A 25 -19.336 31.430 14.522 1.00 0.00 C ATOM 383 CG2 VAL A 25 -18.094 30.474 16.469 1.00 0.00 C ATOM 0 H VAL A 25 -18.193 34.207 14.253 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.313 33.089 16.775 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.526 32.053 16.554 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -20.068 30.628 14.617 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -19.826 32.325 14.139 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.549 31.124 13.832 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -18.843 29.685 16.537 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.278 30.146 15.825 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.706 30.693 17.464 1.00 0.00 H new ATOM 393 N THR A 26 -15.415 32.057 15.532 1.00 0.00 N ATOM 394 CA THR A 26 -14.263 31.524 14.814 1.00 0.00 C ATOM 395 C THR A 26 -14.064 30.042 15.116 1.00 0.00 C ATOM 396 O THR A 26 -14.058 29.632 16.276 1.00 0.00 O ATOM 397 CB THR A 26 -12.974 32.288 15.168 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.127 33.672 14.828 1.00 0.00 O ATOM 399 CG2 THR A 26 -11.786 31.713 14.411 1.00 0.00 C ATOM 0 H THR A 26 -15.282 32.143 16.540 1.00 0.00 H new ATOM 0 HA THR A 26 -14.468 31.651 13.751 1.00 0.00 H new ATOM 0 HB THR A 26 -12.793 32.187 16.238 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.786 33.761 14.108 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.884 32.266 14.674 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.659 30.664 14.677 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.963 31.797 13.339 1.00 0.00 H new ATOM 407 N PHE A 27 -13.900 29.250 14.065 1.00 0.00 N ATOM 408 CA PHE A 27 -13.689 27.812 14.216 1.00 0.00 C ATOM 409 C PHE A 27 -12.797 27.268 13.107 1.00 0.00 C ATOM 410 O PHE A 27 -12.794 27.787 11.991 1.00 0.00 O ATOM 411 CB PHE A 27 -15.028 27.072 14.222 1.00 0.00 C ATOM 412 CG PHE A 27 -15.927 27.435 13.075 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.727 28.566 13.131 1.00 0.00 C ATOM 414 CD2 PHE A 27 -15.973 26.645 11.936 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.555 28.899 12.077 1.00 0.00 C ATOM 416 CE2 PHE A 27 -16.800 26.977 10.878 1.00 0.00 C ATOM 417 CZ PHE A 27 -17.591 28.105 10.949 1.00 0.00 C ATOM 0 H PHE A 27 -13.909 29.576 13.099 1.00 0.00 H new ATOM 0 HA PHE A 27 -13.188 27.647 15.170 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -14.839 25.999 14.198 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -15.545 27.284 15.158 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -16.702 29.194 14.009 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -15.356 25.761 11.874 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -18.175 29.782 12.136 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -16.826 26.353 9.997 1.00 0.00 H new ATOM 0 HZ PHE A 27 -18.237 28.366 10.124 1.00 0.00 H new ATOM 427 N THR A 28 -12.041 26.224 13.422 1.00 0.00 N ATOM 428 CA THR A 28 -10.901 25.827 12.602 1.00 0.00 C ATOM 429 C THR A 28 -10.644 24.329 12.707 1.00 0.00 C ATOM 430 O THR A 28 -11.094 23.675 13.649 1.00 0.00 O ATOM 431 CB THR A 28 -9.623 26.585 13.006 1.00 0.00 C ATOM 432 OG1 THR A 28 -8.548 26.215 12.132 1.00 0.00 O ATOM 433 CG2 THR A 28 -9.240 26.258 14.441 1.00 0.00 C ATOM 0 H THR A 28 -12.196 25.635 14.240 1.00 0.00 H new ATOM 0 HA THR A 28 -11.152 26.080 11.572 1.00 0.00 H new ATOM 0 HB THR A 28 -9.813 27.655 12.926 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.141 27.022 11.754 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.335 26.803 14.709 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.050 26.550 15.109 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.060 25.187 14.535 1.00 0.00 H new ATOM 441 N CYS A 29 -9.912 23.788 11.733 1.00 0.00 N ATOM 442 CA CYS A 29 -9.516 22.387 11.766 1.00 0.00 C ATOM 443 C CYS A 29 -8.080 22.210 11.288 1.00 0.00 C ATOM 444 O CYS A 29 -7.455 23.161 10.811 1.00 0.00 O ATOM 445 CB CYS A 29 -10.495 21.739 10.787 1.00 0.00 C ATOM 446 SG CYS A 29 -10.414 22.391 9.102 1.00 0.00 S ATOM 0 H CYS A 29 -9.584 24.300 10.915 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.547 21.955 12.766 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -10.303 20.666 10.757 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.509 21.871 11.166 1.00 0.00 H new ATOM 0 HG CYS A 29 -10.063 23.642 9.137 1.00 0.00 H new ATOM 452 N ARG A 30 -7.561 20.997 11.417 1.00 0.00 N ATOM 453 CA ARG A 30 -6.184 20.705 11.041 1.00 0.00 C ATOM 454 C ARG A 30 -6.046 19.277 10.524 1.00 0.00 C ATOM 455 O ARG A 30 -6.551 18.334 11.136 1.00 0.00 O ATOM 456 CB ARG A 30 -5.207 20.987 12.172 1.00 0.00 C ATOM 457 CG ARG A 30 -3.748 20.722 11.839 1.00 0.00 C ATOM 458 CD ARG A 30 -2.804 21.009 12.948 1.00 0.00 C ATOM 459 NE ARG A 30 -1.429 20.617 12.687 1.00 0.00 N ATOM 460 CZ ARG A 30 -0.494 21.421 12.143 1.00 0.00 C ATOM 461 NH1 ARG A 30 -0.790 22.646 11.768 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 0.724 20.937 11.975 1.00 0.00 N ATOM 0 H ARG A 30 -8.076 20.195 11.781 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.923 21.381 10.227 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.312 22.030 12.472 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.484 20.378 13.032 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.639 19.678 11.546 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.470 21.326 10.976 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.829 22.077 13.162 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.151 20.496 13.845 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.152 19.667 12.933 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.739 23.001 11.887 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.071 23.242 11.358 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.935 19.979 12.254 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.453 21.521 11.566 1.00 0.00 H new ATOM 476 N VAL A 31 -5.360 19.126 9.399 1.00 0.00 N ATOM 477 CA VAL A 31 -5.186 17.819 8.777 1.00 0.00 C ATOM 478 C VAL A 31 -3.717 17.406 8.763 1.00 0.00 C ATOM 479 O VAL A 31 -2.857 18.162 8.316 1.00 0.00 O ATOM 480 CB VAL A 31 -5.730 17.802 7.336 1.00 0.00 C ATOM 481 CG1 VAL A 31 -4.982 18.807 6.474 1.00 0.00 C ATOM 482 CG2 VAL A 31 -5.621 16.407 6.742 1.00 0.00 C ATOM 0 H VAL A 31 -4.914 19.894 8.897 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.753 17.107 9.377 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.783 18.084 7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.379 18.782 5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.108 19.807 6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.922 18.553 6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.010 16.414 5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.576 16.098 6.729 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.199 15.708 7.347 1.00 0.00 H new ATOM 492 N ALA A 32 -3.441 16.204 9.256 1.00 0.00 N ATOM 493 CA ALA A 32 -2.072 15.710 9.346 1.00 0.00 C ATOM 494 C ALA A 32 -1.762 14.741 8.214 1.00 0.00 C ATOM 495 O ALA A 32 -1.594 13.540 8.440 1.00 0.00 O ATOM 496 CB ALA A 32 -1.836 15.048 10.696 1.00 0.00 C ATOM 0 H ALA A 32 -4.147 15.553 9.600 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.398 16.561 9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.810 14.684 10.748 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.005 15.774 11.492 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.524 14.211 10.816 1.00 0.00 H new ATOM 502 N GLY A 33 -1.689 15.264 6.996 1.00 0.00 N ATOM 503 CA GLY A 33 -1.380 14.449 5.828 1.00 0.00 C ATOM 504 C GLY A 33 0.000 14.778 5.276 1.00 0.00 C ATOM 505 O GLY A 33 0.717 15.614 5.825 1.00 0.00 O ATOM 0 H GLY A 33 -1.840 16.252 6.791 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.425 13.393 6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.132 14.615 5.057 1.00 0.00 H new ATOM 509 N ASN A 34 0.371 14.116 4.179 1.00 0.00 N ATOM 510 CA ASN A 34 1.652 14.367 3.525 1.00 0.00 C ATOM 511 C ASN A 34 1.617 13.924 2.081 1.00 0.00 C ATOM 512 O ASN A 34 1.629 12.729 1.779 1.00 0.00 O ATOM 513 CB ASN A 34 2.783 13.631 4.299 1.00 0.00 C ATOM 514 CG ASN A 34 4.225 13.969 3.907 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.512 14.421 2.808 1.00 0.00 O ATOM 516 ND2 ASN A 34 5.182 13.745 4.768 1.00 0.00 N ATOM 0 H ASN A 34 -0.199 13.402 3.726 1.00 0.00 H new ATOM 0 HA ASN A 34 1.850 15.439 3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.661 13.844 5.361 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.639 12.558 4.171 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.150 13.947 4.518 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.961 13.368 5.690 1.00 0.00 H new ATOM 523 N PRO A 35 1.602 14.893 1.174 1.00 0.00 N ATOM 524 CA PRO A 35 1.783 16.291 1.544 1.00 0.00 C ATOM 525 C PRO A 35 0.544 16.841 2.240 1.00 0.00 C ATOM 526 O PRO A 35 -0.527 16.239 2.186 1.00 0.00 O ATOM 527 CB PRO A 35 2.061 16.999 0.215 1.00 0.00 C ATOM 528 CG PRO A 35 2.439 15.900 -0.720 1.00 0.00 C ATOM 529 CD PRO A 35 1.643 14.703 -0.269 1.00 0.00 C ATOM 0 HA PRO A 35 2.594 16.437 2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.182 17.537 -0.140 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.864 17.730 0.314 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.204 16.163 -1.751 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.509 15.699 -0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.645 14.688 -0.707 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.126 13.765 -0.543 1.00 0.00 H new ATOM 537 N LYS A 36 0.700 17.989 2.893 1.00 0.00 N ATOM 538 CA LYS A 36 -0.385 18.582 3.665 1.00 0.00 C ATOM 539 C LYS A 36 -1.590 18.879 2.780 1.00 0.00 C ATOM 540 O LYS A 36 -1.538 19.754 1.917 1.00 0.00 O ATOM 541 CB LYS A 36 0.086 19.860 4.360 1.00 0.00 C ATOM 542 CG LYS A 36 0.849 19.626 5.658 1.00 0.00 C ATOM 543 CD LYS A 36 2.060 18.733 5.435 1.00 0.00 C ATOM 544 CE LYS A 36 2.720 18.356 6.753 1.00 0.00 C ATOM 545 NZ LYS A 36 1.809 17.567 7.626 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.567 18.526 2.902 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.688 17.860 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.723 20.419 3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.781 20.486 4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.171 20.582 6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.188 19.168 6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.756 17.829 4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.781 19.247 4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.623 17.778 6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.029 19.261 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.361 17.104 8.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.105 18.201 8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.323 16.844 7.058 1.00 0.00 H new ATOM 559 N PRO A 37 -2.675 18.144 3.002 1.00 0.00 N ATOM 560 CA PRO A 37 -3.888 18.309 2.207 1.00 0.00 C ATOM 561 C PRO A 37 -4.431 19.729 2.323 1.00 0.00 C ATOM 562 O PRO A 37 -4.315 20.366 3.368 1.00 0.00 O ATOM 563 CB PRO A 37 -4.857 17.272 2.783 1.00 0.00 C ATOM 564 CG PRO A 37 -3.977 16.253 3.419 1.00 0.00 C ATOM 565 CD PRO A 37 -2.806 17.024 3.969 1.00 0.00 C ATOM 0 HA PRO A 37 -3.719 18.158 1.141 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.534 17.722 3.510 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.476 16.830 2.002 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.503 15.719 4.211 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.651 15.508 2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.995 17.382 4.981 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.903 16.415 4.010 1.00 0.00 H new ATOM 573 N LYS A 38 -5.022 20.219 1.236 1.00 0.00 N ATOM 574 CA LYS A 38 -5.690 21.515 1.250 1.00 0.00 C ATOM 575 C LYS A 38 -7.145 21.384 1.680 1.00 0.00 C ATOM 576 O LYS A 38 -7.896 20.580 1.127 1.00 0.00 O ATOM 577 CB LYS A 38 -5.608 22.176 -0.127 1.00 0.00 C ATOM 578 CG LYS A 38 -4.204 22.599 -0.539 1.00 0.00 C ATOM 579 CD LYS A 38 -4.197 23.215 -1.929 1.00 0.00 C ATOM 580 CE LYS A 38 -2.796 23.649 -2.337 1.00 0.00 C ATOM 581 NZ LYS A 38 -2.771 24.232 -3.705 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.051 19.738 0.337 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.176 22.144 1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.999 21.484 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.256 23.053 -0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.813 23.317 0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.541 21.734 -0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.581 22.493 -2.650 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.867 24.075 -1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.421 24.382 -1.623 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.124 22.792 -2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.799 24.515 -3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.104 23.524 -4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.392 25.066 -3.739 1.00 0.00 H new ATOM 595 N ILE A 39 -7.538 22.176 2.673 1.00 0.00 N ATOM 596 CA ILE A 39 -8.865 22.066 3.264 1.00 0.00 C ATOM 597 C ILE A 39 -9.821 23.089 2.658 1.00 0.00 C ATOM 598 O ILE A 39 -9.628 24.296 2.803 1.00 0.00 O ATOM 599 CB ILE A 39 -8.822 22.257 4.791 1.00 0.00 C ATOM 600 CG1 ILE A 39 -7.944 21.183 5.438 1.00 0.00 C ATOM 601 CG2 ILE A 39 -10.227 22.222 5.372 1.00 0.00 C ATOM 602 CD1 ILE A 39 -7.627 21.448 6.892 1.00 0.00 C ATOM 0 H ILE A 39 -6.953 22.903 3.086 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.226 21.061 3.046 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.387 23.233 5.006 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.445 20.219 5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.011 21.106 4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.178 22.359 6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.823 23.022 4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.689 21.260 5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.002 20.644 7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.097 22.396 6.982 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -8.554 21.495 7.464 1.00 0.00 H new ATOM 614 N TYR A 40 -10.853 22.598 1.980 1.00 0.00 N ATOM 615 CA TYR A 40 -11.824 23.464 1.327 1.00 0.00 C ATOM 616 C TYR A 40 -13.120 23.543 2.126 1.00 0.00 C ATOM 617 O TYR A 40 -13.542 22.562 2.741 1.00 0.00 O ATOM 618 CB TYR A 40 -12.111 22.970 -0.092 1.00 0.00 C ATOM 619 CG TYR A 40 -10.892 22.932 -0.986 1.00 0.00 C ATOM 620 CD1 TYR A 40 -10.483 24.062 -1.680 1.00 0.00 C ATOM 621 CD2 TYR A 40 -10.153 21.767 -1.136 1.00 0.00 C ATOM 622 CE1 TYR A 40 -9.371 24.033 -2.499 1.00 0.00 C ATOM 623 CE2 TYR A 40 -9.038 21.727 -1.951 1.00 0.00 C ATOM 624 CZ TYR A 40 -8.651 22.863 -2.632 1.00 0.00 C ATOM 625 OH TYR A 40 -7.542 22.830 -3.446 1.00 0.00 O ATOM 0 H TYR A 40 -11.038 21.601 1.869 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.396 24.465 1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.541 21.970 -0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.862 23.616 -0.546 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.044 24.980 -1.578 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.455 20.876 -0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.067 24.921 -3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.473 20.812 -2.054 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.149 21.932 -3.428 1.00 0.00 H new ATOM 635 N TRP A 41 -13.747 24.714 2.113 1.00 0.00 N ATOM 636 CA TRP A 41 -14.967 24.939 2.882 1.00 0.00 C ATOM 637 C TRP A 41 -16.188 24.974 1.979 1.00 0.00 C ATOM 638 O TRP A 41 -16.181 25.614 0.927 1.00 0.00 O ATOM 639 CB TRP A 41 -14.865 26.243 3.676 1.00 0.00 C ATOM 640 CG TRP A 41 -13.903 26.174 4.822 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.564 26.430 4.779 1.00 0.00 C ATOM 642 CD2 TRP A 41 -14.203 25.827 6.179 1.00 0.00 C ATOM 643 NE1 TRP A 41 -12.012 26.263 6.024 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.999 25.894 6.903 1.00 0.00 C ATOM 645 CE3 TRP A 41 -15.377 25.467 6.853 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -12.930 25.614 8.258 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -15.307 25.187 8.213 1.00 0.00 C ATOM 648 CH2 TRP A 41 -14.119 25.260 8.895 1.00 0.00 C ATOM 0 H TRP A 41 -13.431 25.523 1.578 1.00 0.00 H new ATOM 0 HA TRP A 41 -15.081 24.107 3.577 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.559 27.045 3.004 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.852 26.505 4.057 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -12.018 26.722 3.894 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -11.028 26.392 6.258 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -16.318 25.408 6.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.996 25.668 8.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -16.205 24.907 8.743 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -14.104 25.038 9.952 1.00 0.00 H new ATOM 659 N PHE A 42 -17.244 24.280 2.393 1.00 0.00 N ATOM 660 CA PHE A 42 -18.563 24.454 1.793 1.00 0.00 C ATOM 661 C PHE A 42 -19.669 24.177 2.801 1.00 0.00 C ATOM 662 O PHE A 42 -19.559 23.264 3.622 1.00 0.00 O ATOM 663 CB PHE A 42 -18.720 23.541 0.576 1.00 0.00 C ATOM 664 CG PHE A 42 -18.440 22.094 0.862 1.00 0.00 C ATOM 665 CD1 PHE A 42 -17.146 21.599 0.813 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.472 21.224 1.184 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.887 20.267 1.076 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.216 19.892 1.449 1.00 0.00 C ATOM 669 CZ PHE A 42 -17.924 19.413 1.395 1.00 0.00 C ATOM 0 H PHE A 42 -17.212 23.590 3.144 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.649 25.492 1.472 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.736 23.636 0.192 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -18.048 23.882 -0.211 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.330 22.262 0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.486 21.592 1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.874 19.894 1.032 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -20.028 19.226 1.699 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.724 18.372 1.602 1.00 0.00 H new ATOM 679 N LYS A 43 -20.735 24.967 2.735 1.00 0.00 N ATOM 680 CA LYS A 43 -21.803 24.897 3.727 1.00 0.00 C ATOM 681 C LYS A 43 -23.072 24.302 3.129 1.00 0.00 C ATOM 682 O LYS A 43 -23.730 24.930 2.300 1.00 0.00 O ATOM 683 CB LYS A 43 -22.090 26.285 4.302 1.00 0.00 C ATOM 684 CG LYS A 43 -22.948 26.278 5.557 1.00 0.00 C ATOM 685 CD LYS A 43 -24.425 26.437 5.222 1.00 0.00 C ATOM 686 CE LYS A 43 -25.271 26.571 6.479 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.726 26.468 6.187 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.883 25.664 2.005 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.469 24.243 4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -21.143 26.775 4.527 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.587 26.885 3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.795 25.345 6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.634 27.086 6.218 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.564 27.317 4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.763 25.576 4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.988 25.795 7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.064 27.530 6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.262 26.497 7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -27.016 27.263 5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.919 25.572 5.696 1.00 0.00 H new ATOM 701 N ASP A 44 -23.410 23.088 3.553 1.00 0.00 N ATOM 702 CA ASP A 44 -24.536 22.363 2.978 1.00 0.00 C ATOM 703 C ASP A 44 -24.397 22.240 1.467 1.00 0.00 C ATOM 704 O ASP A 44 -25.391 22.241 0.741 1.00 0.00 O ATOM 705 CB ASP A 44 -25.856 23.054 3.332 1.00 0.00 C ATOM 706 CG ASP A 44 -26.243 22.961 4.800 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.621 22.206 5.512 1.00 0.00 O ATOM 708 OD2 ASP A 44 -27.046 23.750 5.235 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.919 22.586 4.293 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.538 21.359 3.402 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.787 24.106 3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.653 22.617 2.731 1.00 0.00 H new ATOM 713 N GLY A 45 -23.159 22.130 0.997 1.00 0.00 N ATOM 714 CA GLY A 45 -22.892 21.941 -0.422 1.00 0.00 C ATOM 715 C GLY A 45 -22.614 23.271 -1.113 1.00 0.00 C ATOM 716 O GLY A 45 -22.353 23.313 -2.313 1.00 0.00 O ATOM 0 H GLY A 45 -22.323 22.169 1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -22.037 21.277 -0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.746 21.455 -0.894 1.00 0.00 H new ATOM 720 N LYS A 46 -22.675 24.352 -0.344 1.00 0.00 N ATOM 721 CA LYS A 46 -22.459 25.689 -0.888 1.00 0.00 C ATOM 722 C LYS A 46 -21.010 26.124 -0.720 1.00 0.00 C ATOM 723 O LYS A 46 -20.602 26.559 0.359 1.00 0.00 O ATOM 724 CB LYS A 46 -23.392 26.698 -0.216 1.00 0.00 C ATOM 725 CG LYS A 46 -24.875 26.413 -0.414 1.00 0.00 C ATOM 726 CD LYS A 46 -25.736 27.393 0.370 1.00 0.00 C ATOM 727 CE LYS A 46 -27.217 27.134 0.140 1.00 0.00 C ATOM 728 NZ LYS A 46 -28.070 28.158 0.804 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.872 24.330 0.657 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.683 25.655 -1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -23.178 26.717 0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -23.171 27.693 -0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -25.121 26.476 -1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -25.097 25.395 -0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.511 27.309 1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.493 28.413 0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.423 27.129 -0.930 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.476 26.145 0.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -29.072 27.946 0.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.893 28.146 1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.842 29.099 0.425 1.00 0.00 H new ATOM 742 N GLN A 47 -20.233 26.003 -1.791 1.00 0.00 N ATOM 743 CA GLN A 47 -18.815 26.342 -1.754 1.00 0.00 C ATOM 744 C GLN A 47 -18.599 27.738 -1.183 1.00 0.00 C ATOM 745 O GLN A 47 -19.217 28.705 -1.629 1.00 0.00 O ATOM 746 CB GLN A 47 -18.206 26.258 -3.156 1.00 0.00 C ATOM 747 CG GLN A 47 -16.706 26.487 -3.198 1.00 0.00 C ATOM 748 CD GLN A 47 -16.139 26.358 -4.600 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.881 26.189 -5.571 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.818 26.435 -4.712 1.00 0.00 N ATOM 0 H GLN A 47 -20.562 25.672 -2.698 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.319 25.621 -1.104 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.424 25.276 -3.576 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.693 26.994 -3.796 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.482 27.480 -2.809 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.213 25.769 -2.542 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -14.243 26.576 -3.881 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.378 26.354 -5.629 1.00 0.00 H new ATOM 759 N ILE A 48 -17.717 27.838 -0.195 1.00 0.00 N ATOM 760 CA ILE A 48 -17.434 29.107 0.459 1.00 0.00 C ATOM 761 C ILE A 48 -16.174 29.748 -0.102 1.00 0.00 C ATOM 762 O ILE A 48 -15.105 29.138 -0.109 1.00 0.00 O ATOM 763 CB ILE A 48 -17.277 28.936 1.981 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.579 28.417 2.598 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.868 30.252 2.625 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.454 28.036 4.055 1.00 0.00 C ATOM 0 H ILE A 48 -17.184 27.050 0.171 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.286 29.757 0.262 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.492 28.204 2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -19.348 29.182 2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.917 27.549 2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.762 30.113 3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.918 30.582 2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.632 31.005 2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.416 27.678 4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.709 27.248 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -18.147 28.907 4.634 1.00 0.00 H new ATOM 778 N SER A 49 -16.299 30.987 -0.565 1.00 0.00 N ATOM 779 CA SER A 49 -15.151 31.749 -1.044 1.00 0.00 C ATOM 780 C SER A 49 -14.457 32.477 0.100 1.00 0.00 C ATOM 781 O SER A 49 -15.107 33.120 0.922 1.00 0.00 O ATOM 782 CB SER A 49 -15.588 32.735 -2.109 1.00 0.00 C ATOM 783 OG SER A 49 -14.539 33.570 -2.515 1.00 0.00 O ATOM 0 H SER A 49 -17.187 31.486 -0.619 1.00 0.00 H new ATOM 0 HA SER A 49 -14.436 31.050 -1.478 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.972 32.190 -2.971 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.407 33.343 -1.726 1.00 0.00 H new ATOM 0 HG SER A 49 -14.861 34.189 -3.203 1.00 0.00 H new ATOM 789 N PRO A 50 -13.133 32.366 0.146 1.00 0.00 N ATOM 790 CA PRO A 50 -12.346 33.049 1.164 1.00 0.00 C ATOM 791 C PRO A 50 -12.627 34.545 1.167 1.00 0.00 C ATOM 792 O PRO A 50 -12.778 35.162 0.113 1.00 0.00 O ATOM 793 CB PRO A 50 -10.895 32.735 0.785 1.00 0.00 C ATOM 794 CG PRO A 50 -10.978 31.460 0.018 1.00 0.00 C ATOM 795 CD PRO A 50 -12.270 31.540 -0.751 1.00 0.00 C ATOM 0 HA PRO A 50 -12.584 32.718 2.175 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.460 33.533 0.183 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.268 32.626 1.670 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.127 31.350 -0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.971 30.599 0.686 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.133 32.008 -1.726 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.698 30.553 -0.929 1.00 0.00 H new ATOM 803 N LYS A 51 -12.696 35.127 2.361 1.00 0.00 N ATOM 804 CA LYS A 51 -12.905 36.562 2.502 1.00 0.00 C ATOM 805 C LYS A 51 -14.198 37.001 1.826 1.00 0.00 C ATOM 806 O LYS A 51 -14.197 37.901 0.986 1.00 0.00 O ATOM 807 CB LYS A 51 -11.719 37.334 1.921 1.00 0.00 C ATOM 808 CG LYS A 51 -10.392 37.067 2.620 1.00 0.00 C ATOM 809 CD LYS A 51 -9.264 37.870 1.989 1.00 0.00 C ATOM 810 CE LYS A 51 -7.936 37.600 2.683 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.807 38.305 2.018 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.610 34.625 3.245 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.986 36.784 3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.618 37.080 0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.935 38.401 1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.477 37.323 3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.158 36.004 2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.182 37.617 0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.496 38.933 2.045 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.999 37.918 3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.741 36.528 2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.922 38.095 2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.729 37.983 1.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.980 39.330 2.035 1.00 0.00 H new ATOM 825 N SER A 52 -15.301 36.358 2.198 1.00 0.00 N ATOM 826 CA SER A 52 -16.605 36.696 1.644 1.00 0.00 C ATOM 827 C SER A 52 -17.348 37.674 2.545 1.00 0.00 C ATOM 828 O SER A 52 -16.745 38.337 3.389 1.00 0.00 O ATOM 829 CB SER A 52 -17.427 35.438 1.439 1.00 0.00 C ATOM 830 OG SER A 52 -18.596 35.687 0.707 1.00 0.00 O ATOM 0 H SER A 52 -15.316 35.600 2.881 1.00 0.00 H new ATOM 0 HA SER A 52 -16.450 37.180 0.680 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.825 34.693 0.918 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.690 35.015 2.409 1.00 0.00 H new ATOM 0 HG SER A 52 -19.096 34.852 0.595 1.00 0.00 H new ATOM 836 N ASP A 53 -18.661 37.765 2.357 1.00 0.00 N ATOM 837 CA ASP A 53 -19.477 38.707 3.110 1.00 0.00 C ATOM 838 C ASP A 53 -19.303 38.513 4.611 1.00 0.00 C ATOM 839 O ASP A 53 -19.152 39.476 5.358 1.00 0.00 O ATOM 840 CB ASP A 53 -20.953 38.561 2.730 1.00 0.00 C ATOM 841 CG ASP A 53 -21.303 39.097 1.348 1.00 0.00 C ATOM 842 OD1 ASP A 53 -20.488 39.778 0.773 1.00 0.00 O ATOM 843 OD2 ASP A 53 -22.308 38.695 0.814 1.00 0.00 O1- ATOM 0 H ASP A 53 -19.181 37.197 1.689 1.00 0.00 H new ATOM 0 HA ASP A 53 -19.142 39.713 2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -21.225 37.507 2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.560 39.080 3.472 1.00 0.00 H new ATOM 848 N HIS A 54 -19.326 37.257 5.046 1.00 0.00 N ATOM 849 CA HIS A 54 -19.202 36.932 6.461 1.00 0.00 C ATOM 850 C HIS A 54 -18.249 35.769 6.680 1.00 0.00 C ATOM 851 O HIS A 54 -17.948 35.404 7.818 1.00 0.00 O ATOM 852 CB HIS A 54 -20.573 36.604 7.063 1.00 0.00 C ATOM 853 CG HIS A 54 -21.544 37.741 7.005 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.446 38.845 7.827 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.632 37.948 6.226 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.433 39.682 7.554 1.00 0.00 C ATOM 857 NE2 HIS A 54 -23.165 39.160 6.586 1.00 0.00 N ATOM 0 H HIS A 54 -19.430 36.446 4.436 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.794 37.808 6.964 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -20.996 35.749 6.535 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.441 36.304 8.102 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -23.010 37.283 5.463 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.610 40.630 8.040 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.993 39.589 6.173 1.00 0.00 H new ATOM 865 N TYR A 55 -17.777 35.183 5.586 1.00 0.00 N ATOM 866 CA TYR A 55 -16.977 33.964 5.651 1.00 0.00 C ATOM 867 C TYR A 55 -15.526 34.239 5.277 1.00 0.00 C ATOM 868 O TYR A 55 -15.166 34.250 4.100 1.00 0.00 O ATOM 869 CB TYR A 55 -17.561 32.888 4.733 1.00 0.00 C ATOM 870 CG TYR A 55 -18.884 32.327 5.208 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.237 32.380 6.548 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.773 31.748 4.315 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.444 31.869 6.986 1.00 0.00 C ATOM 874 CE2 TYR A 55 -20.980 31.236 4.743 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.312 31.296 6.079 1.00 0.00 C ATOM 876 OH TYR A 55 -22.515 30.788 6.512 1.00 0.00 O ATOM 0 H TYR A 55 -17.934 35.533 4.641 1.00 0.00 H new ATOM 0 HA TYR A 55 -17.003 33.603 6.679 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.693 33.308 3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -16.843 32.073 4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.559 32.827 7.260 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.516 31.697 3.267 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -20.707 31.918 8.032 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.662 30.790 4.034 1.00 0.00 H new ATOM 0 HH TYR A 55 -23.131 31.525 6.704 1.00 0.00 H new ATOM 886 N THR A 56 -14.692 34.457 6.290 1.00 0.00 N ATOM 887 CA THR A 56 -13.269 34.693 6.075 1.00 0.00 C ATOM 888 C THR A 56 -12.464 33.417 6.275 1.00 0.00 C ATOM 889 O THR A 56 -12.403 32.876 7.378 1.00 0.00 O ATOM 890 CB THR A 56 -12.728 35.783 7.019 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.423 37.014 6.780 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.239 35.992 6.791 1.00 0.00 C ATOM 0 H THR A 56 -14.978 34.475 7.269 1.00 0.00 H new ATOM 0 HA THR A 56 -13.159 35.031 5.045 1.00 0.00 H new ATOM 0 HB THR A 56 -12.887 35.464 8.049 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.079 37.706 7.382 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.873 36.765 7.466 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.707 35.060 6.984 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.069 36.300 5.759 1.00 0.00 H new ATOM 900 N ILE A 57 -11.847 32.937 5.200 1.00 0.00 N ATOM 901 CA ILE A 57 -11.066 31.705 5.250 1.00 0.00 C ATOM 902 C ILE A 57 -9.574 32.003 5.294 1.00 0.00 C ATOM 903 O ILE A 57 -9.070 32.825 4.527 1.00 0.00 O ATOM 904 CB ILE A 57 -11.363 30.797 4.043 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.828 30.352 4.057 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.436 29.590 4.044 1.00 0.00 C ATOM 907 CD1 ILE A 57 -13.260 29.634 2.799 1.00 0.00 C ATOM 0 H ILE A 57 -11.872 33.382 4.283 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.357 31.185 6.162 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.185 31.365 3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.991 29.696 4.912 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.462 31.227 4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.660 28.959 3.184 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.401 29.926 3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.583 29.019 4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.309 29.350 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.131 30.294 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.652 28.740 2.664 1.00 0.00 H new ATOM 919 N GLN A 58 -8.866 31.329 6.195 1.00 0.00 N ATOM 920 CA GLN A 58 -7.412 31.425 6.256 1.00 0.00 C ATOM 921 C GLN A 58 -6.772 30.042 6.292 1.00 0.00 C ATOM 922 O GLN A 58 -6.882 29.321 7.288 1.00 0.00 O ATOM 923 CB GLN A 58 -6.978 32.227 7.487 1.00 0.00 C ATOM 924 CG GLN A 58 -5.473 32.332 7.662 1.00 0.00 C ATOM 925 CD GLN A 58 -4.817 33.153 6.569 1.00 0.00 C ATOM 926 OE1 GLN A 58 -5.244 34.273 6.275 1.00 0.00 O ATOM 927 NE2 GLN A 58 -3.778 32.600 5.957 1.00 0.00 N ATOM 0 H GLN A 58 -9.277 30.710 6.894 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.075 31.940 5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.396 33.231 7.418 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.405 31.765 8.377 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.254 32.781 8.631 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.041 31.331 7.669 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.459 31.671 6.233 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.298 33.104 5.211 1.00 0.00 H new ATOM 936 N ARG A 59 -6.105 29.676 5.202 1.00 0.00 N ATOM 937 CA ARG A 59 -5.527 28.346 5.071 1.00 0.00 C ATOM 938 C ARG A 59 -4.024 28.372 5.315 1.00 0.00 C ATOM 939 O ARG A 59 -3.246 28.731 4.429 1.00 0.00 O ATOM 940 CB ARG A 59 -5.863 27.705 3.732 1.00 0.00 C ATOM 941 CG ARG A 59 -5.437 26.252 3.594 1.00 0.00 C ATOM 942 CD ARG A 59 -5.780 25.635 2.287 1.00 0.00 C ATOM 943 NE ARG A 59 -7.201 25.620 1.982 1.00 0.00 N ATOM 944 CZ ARG A 59 -7.793 26.403 1.058 1.00 0.00 C ATOM 945 NH1 ARG A 59 -7.102 27.287 0.375 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -9.096 26.274 0.873 1.00 0.00 N ATOM 0 H ARG A 59 -5.952 30.283 4.397 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.979 27.722 5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.940 27.769 3.575 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.390 28.284 2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.359 26.186 3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.904 25.672 4.390 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.257 26.174 1.497 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.408 24.611 2.274 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.791 24.972 2.503 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.101 27.389 0.540 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.567 27.871 -0.320 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.624 25.596 1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.573 26.852 0.181 1.00 0.00 H new ATOM 960 N ASP A 60 -3.619 27.987 6.518 1.00 0.00 N ATOM 961 CA ASP A 60 -2.204 27.824 6.837 1.00 0.00 C ATOM 962 C ASP A 60 -1.622 26.593 6.150 1.00 0.00 C ATOM 963 O ASP A 60 -2.166 25.497 6.260 1.00 0.00 O ATOM 964 CB ASP A 60 -2.002 27.726 8.351 1.00 0.00 C ATOM 965 CG ASP A 60 -0.545 27.694 8.791 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.310 27.601 7.941 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.290 27.919 9.950 1.00 0.00 O1- ATOM 0 H ASP A 60 -4.251 27.781 7.292 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.676 28.703 6.466 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.494 28.575 8.826 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.498 26.826 8.714 1.00 0.00 H new ATOM 972 N LEU A 61 -0.514 26.786 5.442 1.00 0.00 N ATOM 973 CA LEU A 61 0.084 25.719 4.649 1.00 0.00 C ATOM 974 C LEU A 61 0.617 24.605 5.536 1.00 0.00 C ATOM 975 O LEU A 61 0.901 23.503 5.062 1.00 0.00 O ATOM 976 CB LEU A 61 1.205 26.279 3.764 1.00 0.00 C ATOM 977 CG LEU A 61 0.749 27.252 2.671 1.00 0.00 C ATOM 978 CD1 LEU A 61 1.958 27.815 1.935 1.00 0.00 C ATOM 979 CD2 LEU A 61 -0.183 26.534 1.705 1.00 0.00 C ATOM 0 H LEU A 61 -0.012 27.673 5.401 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.693 25.297 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.930 26.787 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.724 25.445 3.292 1.00 0.00 H new ATOM 0 HG LEU A 61 0.209 28.082 3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.624 28.505 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.599 28.344 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.518 26.999 1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.506 27.227 0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.343 25.696 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.054 26.164 2.247 1.00 0.00 H new ATOM 991 N ASP A 62 0.752 24.893 6.825 1.00 0.00 N ATOM 992 CA ASP A 62 1.217 23.904 7.789 1.00 0.00 C ATOM 993 C ASP A 62 0.229 22.754 7.912 1.00 0.00 C ATOM 994 O ASP A 62 0.602 21.635 8.267 1.00 0.00 O ATOM 995 CB ASP A 62 1.444 24.554 9.157 1.00 0.00 C ATOM 996 CG ASP A 62 2.284 23.721 10.117 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.425 23.468 9.809 1.00 0.00 O ATOM 998 OD2 ASP A 62 1.835 23.480 11.211 1.00 0.00 O1- ATOM 0 H ASP A 62 0.545 25.807 7.228 1.00 0.00 H new ATOM 0 HA ASP A 62 2.164 23.503 7.428 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.930 25.519 9.011 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.476 24.751 9.617 1.00 0.00 H new ATOM 1003 N GLY A 63 -1.037 23.032 7.621 1.00 0.00 N ATOM 1004 CA GLY A 63 -2.068 22.000 7.622 1.00 0.00 C ATOM 1005 C GLY A 63 -3.302 22.457 8.390 1.00 0.00 C ATOM 1006 O GLY A 63 -4.282 21.719 8.505 1.00 0.00 O ATOM 0 H GLY A 63 -1.374 23.964 7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.344 21.757 6.596 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.674 21.088 8.071 1.00 0.00 H new ATOM 1010 N THR A 64 -3.252 23.676 8.914 1.00 0.00 N ATOM 1011 CA THR A 64 -4.381 24.253 9.636 1.00 0.00 C ATOM 1012 C THR A 64 -5.168 25.213 8.753 1.00 0.00 C ATOM 1013 O THR A 64 -4.589 26.036 8.045 1.00 0.00 O ATOM 1014 CB THR A 64 -3.920 24.997 10.902 1.00 0.00 C ATOM 1015 OG1 THR A 64 -3.296 24.073 11.803 1.00 0.00 O ATOM 1016 CG2 THR A 64 -5.105 25.652 11.596 1.00 0.00 C ATOM 0 H THR A 64 -2.438 24.287 8.852 1.00 0.00 H new ATOM 0 HA THR A 64 -5.025 23.423 9.927 1.00 0.00 H new ATOM 0 HB THR A 64 -3.208 25.769 10.612 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.002 24.549 12.608 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.761 26.174 12.489 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.575 26.364 10.918 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.829 24.888 11.879 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.490 25.099 8.799 1.00 0.00 N ATOM 1025 CA CYS A 65 -7.361 25.978 8.027 1.00 0.00 C ATOM 1026 C CYS A 65 -8.522 26.484 8.873 1.00 0.00 C ATOM 1027 O CYS A 65 -9.282 25.696 9.435 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.864 25.062 6.912 1.00 0.00 C ATOM 1029 SG CYS A 65 -8.851 25.895 5.646 1.00 0.00 S ATOM 0 H CYS A 65 -6.983 24.406 9.363 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.854 26.871 7.662 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -7.007 24.589 6.433 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.462 24.265 7.355 1.00 0.00 H new ATOM 0 HG CYS A 65 -8.868 25.174 4.565 1.00 0.00 H new ATOM 1035 N SER A 66 -8.654 27.802 8.957 1.00 0.00 N ATOM 1036 CA SER A 66 -9.644 28.418 9.836 1.00 0.00 C ATOM 1037 C SER A 66 -10.753 29.082 9.033 1.00 0.00 C ATOM 1038 O SER A 66 -10.524 29.586 7.932 1.00 0.00 O ATOM 1039 CB SER A 66 -8.978 29.428 10.749 1.00 0.00 C ATOM 1040 OG SER A 66 -7.972 28.846 11.532 1.00 0.00 O ATOM 0 H SER A 66 -8.089 28.466 8.428 1.00 0.00 H new ATOM 0 HA SER A 66 -10.092 27.632 10.444 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.551 30.232 10.150 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.728 29.879 11.399 1.00 0.00 H new ATOM 0 HG SER A 66 -7.567 29.530 12.105 1.00 0.00 H new ATOM 1046 N LEU A 67 -11.959 29.081 9.592 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.052 29.886 9.054 1.00 0.00 C ATOM 1048 C LEU A 67 -13.660 30.779 10.127 1.00 0.00 C ATOM 1049 O LEU A 67 -14.159 30.294 11.140 1.00 0.00 O ATOM 1050 CB LEU A 67 -14.129 28.980 8.442 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.403 29.699 7.982 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -15.071 30.693 6.878 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.419 28.675 7.499 1.00 0.00 C ATOM 0 H LEU A 67 -12.205 28.533 10.416 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.644 30.528 8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.698 28.456 7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.403 28.222 9.176 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.832 30.250 8.819 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.982 31.199 6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.360 31.429 7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.633 30.164 6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.324 29.187 7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -16.000 28.112 6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.662 27.992 8.313 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.615 32.088 9.896 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.293 33.041 10.764 1.00 0.00 C ATOM 1067 C HIS A 68 -15.645 33.447 10.188 1.00 0.00 C ATOM 1068 O HIS A 68 -15.733 33.911 9.050 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.424 34.284 10.986 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.132 35.392 11.701 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.537 35.290 13.015 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.507 36.625 11.286 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -15.130 36.415 13.377 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -15.125 37.240 12.346 1.00 0.00 N ATOM 0 H HIS A 68 -13.115 32.512 9.114 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.462 32.552 11.723 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.540 34.001 11.557 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.076 34.650 10.020 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.349 37.046 10.304 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.548 36.624 14.351 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.517 38.182 12.339 1.00 0.00 H new ATOM 1082 N THR A 69 -16.697 33.270 10.980 1.00 0.00 N ATOM 1083 CA THR A 69 -18.021 33.765 10.619 1.00 0.00 C ATOM 1084 C THR A 69 -18.336 35.069 11.342 1.00 0.00 C ATOM 1085 O THR A 69 -18.444 35.099 12.569 1.00 0.00 O ATOM 1086 CB THR A 69 -19.118 32.733 10.942 1.00 0.00 C ATOM 1087 OG1 THR A 69 -18.879 31.530 10.199 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.490 33.282 10.581 1.00 0.00 C ATOM 0 H THR A 69 -16.659 32.787 11.877 1.00 0.00 H new ATOM 0 HA THR A 69 -18.008 33.942 9.544 1.00 0.00 H new ATOM 0 HB THR A 69 -19.092 32.520 12.011 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.245 31.626 9.295 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.252 32.539 10.816 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.680 34.191 11.152 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.522 33.510 9.516 1.00 0.00 H new ATOM 1096 N THR A 70 -18.473 36.144 10.575 1.00 0.00 N ATOM 1097 CA THR A 70 -18.687 37.472 11.146 1.00 0.00 C ATOM 1098 C THR A 70 -20.045 37.564 11.830 1.00 0.00 C ATOM 1099 O THR A 70 -20.175 38.163 12.899 1.00 0.00 O ATOM 1100 CB THR A 70 -18.589 38.572 10.074 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.268 38.584 9.517 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.893 39.934 10.678 1.00 0.00 C ATOM 0 H THR A 70 -18.440 36.124 9.556 1.00 0.00 H new ATOM 0 HA THR A 70 -17.900 37.626 11.884 1.00 0.00 H new ATOM 0 HB THR A 70 -19.319 38.362 9.292 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.208 39.284 8.833 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.819 40.699 9.905 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.902 39.932 11.091 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.177 40.148 11.471 1.00 0.00 H new ATOM 1110 N ALA A 71 -21.056 36.965 11.211 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.420 37.030 11.729 1.00 0.00 C ATOM 1112 C ALA A 71 -23.153 35.712 11.513 1.00 0.00 C ATOM 1113 O ALA A 71 -23.803 35.512 10.486 1.00 0.00 O ATOM 1114 CB ALA A 71 -23.180 38.175 11.075 1.00 0.00 C ATOM 0 H ALA A 71 -20.958 36.428 10.349 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.366 37.212 12.802 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -24.195 38.211 11.471 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.674 39.116 11.288 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.216 38.019 9.997 1.00 0.00 H new ATOM 1120 N SER A 72 -23.045 34.813 12.488 1.00 0.00 N ATOM 1121 CA SER A 72 -23.650 33.493 12.384 1.00 0.00 C ATOM 1122 C SER A 72 -25.149 33.552 12.658 1.00 0.00 C ATOM 1123 O SER A 72 -25.601 33.233 13.757 1.00 0.00 O ATOM 1124 CB SER A 72 -22.974 32.532 13.342 1.00 0.00 C ATOM 1125 OG SER A 72 -23.418 31.215 13.167 1.00 0.00 O ATOM 0 H SER A 72 -22.542 34.978 13.360 1.00 0.00 H new ATOM 0 HA SER A 72 -23.510 33.133 11.365 1.00 0.00 H new ATOM 0 HB2 SER A 72 -21.895 32.573 13.195 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.168 32.846 14.367 1.00 0.00 H new ATOM 0 HG SER A 72 -22.957 30.627 13.802 1.00 0.00 H new ATOM 1131 N THR A 73 -25.914 33.960 11.651 1.00 0.00 N ATOM 1132 CA THR A 73 -27.360 34.082 11.789 1.00 0.00 C ATOM 1133 C THR A 73 -28.048 32.740 11.572 1.00 0.00 C ATOM 1134 O THR A 73 -27.402 31.743 11.255 1.00 0.00 O ATOM 1135 CB THR A 73 -27.938 35.111 10.799 1.00 0.00 C ATOM 1136 OG1 THR A 73 -27.751 34.642 9.457 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.246 36.456 10.963 1.00 0.00 C ATOM 0 H THR A 73 -25.556 34.212 10.730 1.00 0.00 H new ATOM 0 HA THR A 73 -27.551 34.425 12.806 1.00 0.00 H new ATOM 0 HB THR A 73 -29.001 35.234 11.004 1.00 0.00 H new ATOM 0 HG1 THR A 73 -26.818 34.369 9.333 1.00 0.00 H new ATOM 0 HG21 THR A 73 -27.667 37.170 10.256 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.395 36.821 11.979 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.179 36.342 10.772 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.366 32.722 11.749 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.133 31.484 11.660 1.00 0.00 C ATOM 1147 C LEU A 74 -29.985 30.843 10.286 1.00 0.00 C ATOM 1148 O LEU A 74 -30.031 29.621 10.154 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.611 31.753 11.968 1.00 0.00 C ATOM 1150 CG LEU A 74 -31.917 32.125 13.425 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.374 32.548 13.560 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.613 30.939 14.327 1.00 0.00 C ATOM 0 H LEU A 74 -29.925 33.550 11.955 1.00 0.00 H new ATOM 0 HA LEU A 74 -29.739 30.787 12.400 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -31.959 32.560 11.323 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.187 30.865 11.708 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.289 32.964 13.726 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.582 32.810 14.597 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.563 33.412 12.923 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.021 31.725 13.257 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -31.830 31.204 15.362 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.230 30.090 14.032 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.560 30.672 14.234 1.00 0.00 H new ATOM 1164 N ASP A 75 -29.806 31.675 9.266 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.629 31.188 7.905 1.00 0.00 C ATOM 1166 C ASP A 75 -28.252 30.558 7.721 1.00 0.00 C ATOM 1167 O ASP A 75 -28.013 29.841 6.750 1.00 0.00 O ATOM 1168 CB ASP A 75 -29.827 32.327 6.901 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.273 32.775 6.735 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.147 32.073 7.187 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.485 33.882 6.303 1.00 0.00 O1- ATOM 0 H ASP A 75 -29.780 32.691 9.357 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.381 30.420 7.722 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.229 33.182 7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.444 32.011 5.931 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.354 30.831 8.660 1.00 0.00 N ATOM 1177 CA ASP A 76 -26.004 30.278 8.615 1.00 0.00 C ATOM 1178 C ASP A 76 -25.920 28.969 9.390 1.00 0.00 C ATOM 1179 O ASP A 76 -24.882 28.304 9.396 1.00 0.00 O ATOM 1180 CB ASP A 76 -24.993 31.284 9.167 1.00 0.00 C ATOM 1181 CG ASP A 76 -24.882 32.573 8.362 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -24.695 32.490 7.172 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.145 33.616 8.911 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.536 31.433 9.463 1.00 0.00 H new ATOM 0 HA ASP A 76 -25.762 30.072 7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.269 31.533 10.192 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.012 30.810 9.207 1.00 0.00 H new ATOM 1188 N ASP A 77 -27.016 28.603 10.045 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.112 27.314 10.720 1.00 0.00 C ATOM 1190 C ASP A 77 -27.141 26.167 9.715 1.00 0.00 C ATOM 1191 O ASP A 77 -27.935 26.171 8.775 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.358 27.263 11.608 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.512 25.976 12.405 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.925 24.990 12.024 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.080 26.023 13.470 1.00 0.00 O1- ATOM 0 H ASP A 77 -27.852 29.182 10.123 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.227 27.200 11.345 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.329 28.104 12.301 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.241 27.396 10.982 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.264 25.189 9.918 1.00 0.00 N ATOM 1201 CA GLY A 78 -26.164 24.049 9.013 1.00 0.00 C ATOM 1202 C GLY A 78 -24.788 23.403 9.092 1.00 0.00 C ATOM 1203 O GLY A 78 -24.028 23.647 10.029 1.00 0.00 O ATOM 0 H GLY A 78 -25.612 25.163 10.702 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.929 23.314 9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.358 24.374 7.991 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.468 22.580 8.098 1.00 0.00 N ATOM 1208 CA ASN A 79 -23.240 21.798 8.121 1.00 0.00 C ATOM 1209 C ASN A 79 -22.142 22.477 7.313 1.00 0.00 C ATOM 1210 O ASN A 79 -22.207 22.543 6.085 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.471 20.387 7.611 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.437 19.592 8.446 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.183 19.308 9.622 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.503 19.163 7.821 1.00 0.00 N ATOM 0 H ASN A 79 -25.043 22.439 7.267 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.917 21.735 9.160 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.844 20.437 6.588 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.516 19.862 7.577 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -26.172 18.564 8.305 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.665 19.427 6.849 1.00 0.00 H new ATOM 1221 N TYR A 80 -21.128 22.981 8.010 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.938 23.515 7.357 1.00 0.00 C ATOM 1223 C TYR A 80 -18.972 22.400 6.978 1.00 0.00 C ATOM 1224 O TYR A 80 -17.830 22.371 7.439 1.00 0.00 O ATOM 1225 CB TYR A 80 -19.238 24.528 8.265 1.00 0.00 C ATOM 1226 CG TYR A 80 -20.036 25.792 8.500 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -21.062 25.825 9.432 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.756 26.952 7.788 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -21.793 26.975 9.651 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.482 28.109 7.997 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.500 28.116 8.930 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.225 29.267 9.143 1.00 0.00 O ATOM 0 H TYR A 80 -21.107 23.031 9.029 1.00 0.00 H new ATOM 0 HA TYR A 80 -20.256 24.018 6.444 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -19.030 24.057 9.226 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.277 24.793 7.825 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.293 24.934 9.997 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.958 26.949 7.060 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.589 26.983 10.381 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.255 29.002 7.434 1.00 0.00 H new ATOM 0 HH TYR A 80 -23.163 29.037 9.308 1.00 0.00 H new ATOM 1242 N THR A 81 -19.436 21.481 6.136 1.00 0.00 N ATOM 1243 CA THR A 81 -18.642 20.317 5.758 1.00 0.00 C ATOM 1244 C THR A 81 -17.401 20.727 4.975 1.00 0.00 C ATOM 1245 O THR A 81 -17.471 21.570 4.079 1.00 0.00 O ATOM 1246 CB THR A 81 -19.462 19.322 4.916 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.631 18.926 5.645 1.00 0.00 O ATOM 1248 CG2 THR A 81 -18.632 18.091 4.585 1.00 0.00 C ATOM 0 H THR A 81 -20.358 21.520 5.702 1.00 0.00 H new ATOM 0 HA THR A 81 -18.339 19.830 6.685 1.00 0.00 H new ATOM 0 HB THR A 81 -19.754 19.810 3.986 1.00 0.00 H new ATOM 0 HG1 THR A 81 -21.153 18.294 5.108 1.00 0.00 H new ATOM 0 HG21 THR A 81 -19.228 17.399 3.990 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.749 18.389 4.019 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.323 17.601 5.509 1.00 0.00 H new ATOM 1256 N ILE A 82 -16.267 20.127 5.317 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.997 20.478 4.692 1.00 0.00 C ATOM 1258 C ILE A 82 -14.362 19.268 4.021 1.00 0.00 C ATOM 1259 O ILE A 82 -14.691 18.124 4.339 1.00 0.00 O ATOM 1260 CB ILE A 82 -14.008 21.066 5.715 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -13.760 20.072 6.852 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -14.531 22.385 6.262 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -12.694 20.513 7.828 1.00 0.00 C ATOM 0 H ILE A 82 -16.201 19.395 6.024 1.00 0.00 H new ATOM 0 HA ILE A 82 -15.215 21.234 3.938 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.060 21.255 5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -14.693 19.915 7.394 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -13.473 19.111 6.425 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -13.820 22.787 6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.657 23.094 5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -15.491 22.221 6.751 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -12.576 19.757 8.604 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.749 20.642 7.301 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -12.987 21.458 8.284 1.00 0.00 H new ATOM 1275 N MET A 83 -13.451 19.523 3.089 1.00 0.00 N ATOM 1276 CA MET A 83 -12.739 18.457 2.395 1.00 0.00 C ATOM 1277 C MET A 83 -11.244 18.731 2.346 1.00 0.00 C ATOM 1278 O MET A 83 -10.803 19.715 1.751 1.00 0.00 O ATOM 1279 CB MET A 83 -13.290 18.287 0.980 1.00 0.00 C ATOM 1280 CG MET A 83 -12.575 17.233 0.147 1.00 0.00 C ATOM 1281 SD MET A 83 -12.791 15.566 0.801 1.00 0.00 S ATOM 1282 CE MET A 83 -14.490 15.240 0.342 1.00 0.00 C ATOM 0 H MET A 83 -13.187 20.464 2.796 1.00 0.00 H new ATOM 0 HA MET A 83 -12.894 17.533 2.952 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.346 18.026 1.044 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.229 19.244 0.462 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.949 17.269 -0.876 1.00 0.00 H new ATOM 0 HG3 MET A 83 -11.511 17.468 0.106 1.00 0.00 H new ATOM 0 HE1 MET A 83 -14.708 14.181 0.483 1.00 0.00 H new ATOM 0 HE2 MET A 83 -15.156 15.835 0.967 1.00 0.00 H new ATOM 0 HE3 MET A 83 -14.641 15.505 -0.704 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.462 17.855 2.970 1.00 0.00 N ATOM 1293 CA ALA A 84 -9.010 17.941 2.904 1.00 0.00 C ATOM 1294 C ALA A 84 -8.460 17.046 1.799 1.00 0.00 C ATOM 1295 O ALA A 84 -8.438 15.822 1.933 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.395 17.572 4.246 1.00 0.00 C ATOM 0 H ALA A 84 -10.812 17.076 3.528 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.741 18.971 2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.309 17.641 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.756 18.257 5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.678 16.553 4.508 1.00 0.00 H new ATOM 1302 N ALA A 85 -8.013 17.662 0.710 1.00 0.00 N ATOM 1303 CA ALA A 85 -7.607 16.924 -0.477 1.00 0.00 C ATOM 1304 C ALA A 85 -6.113 17.073 -0.736 1.00 0.00 C ATOM 1305 O ALA A 85 -5.571 18.179 -0.679 1.00 0.00 O ATOM 1306 CB ALA A 85 -8.408 17.383 -1.688 1.00 0.00 C ATOM 0 H ALA A 85 -7.923 18.675 0.626 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.812 15.868 -0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.092 16.821 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.469 17.210 -1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.237 18.446 -1.856 1.00 0.00 H new ATOM 1312 N ASN A 86 -5.452 15.956 -1.022 1.00 0.00 N ATOM 1313 CA ASN A 86 -4.068 15.981 -1.486 1.00 0.00 C ATOM 1314 C ASN A 86 -3.837 14.942 -2.571 1.00 0.00 C ATOM 1315 O ASN A 86 -4.749 14.211 -2.953 1.00 0.00 O ATOM 1316 CB ASN A 86 -3.093 15.770 -0.341 1.00 0.00 C ATOM 1317 CG ASN A 86 -2.968 14.335 0.090 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -3.667 13.449 -0.416 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -2.139 14.113 1.078 1.00 0.00 N ATOM 0 H ASN A 86 -5.852 15.021 -0.941 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.887 16.970 -1.907 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.111 16.137 -0.639 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.412 16.370 0.511 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.047 13.174 1.466 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.584 14.879 1.460 1.00 0.00 H new ATOM 1326 N PRO A 87 -2.603 14.877 -3.065 1.00 0.00 N ATOM 1327 CA PRO A 87 -2.270 14.000 -4.181 1.00 0.00 C ATOM 1328 C PRO A 87 -2.565 12.543 -3.845 1.00 0.00 C ATOM 1329 O PRO A 87 -2.801 11.723 -4.733 1.00 0.00 O ATOM 1330 CB PRO A 87 -0.777 14.245 -4.417 1.00 0.00 C ATOM 1331 CG PRO A 87 -0.544 15.630 -3.919 1.00 0.00 C ATOM 1332 CD PRO A 87 -1.451 15.783 -2.727 1.00 0.00 C ATOM 0 HA PRO A 87 -2.862 14.208 -5.072 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.166 13.521 -3.878 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.522 14.154 -5.473 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.499 15.777 -3.640 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -0.776 16.368 -4.687 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.958 15.482 -1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.774 16.816 -2.595 1.00 0.00 H new ATOM 1340 N GLN A 88 -2.549 12.225 -2.554 1.00 0.00 N ATOM 1341 CA GLN A 88 -2.596 10.839 -2.105 1.00 0.00 C ATOM 1342 C GLN A 88 -4.025 10.404 -1.806 1.00 0.00 C ATOM 1343 O GLN A 88 -4.277 9.240 -1.503 1.00 0.00 O ATOM 1344 CB GLN A 88 -1.728 10.651 -0.857 1.00 0.00 C ATOM 1345 CG GLN A 88 -0.268 11.023 -1.053 1.00 0.00 C ATOM 1346 CD GLN A 88 0.397 10.200 -2.140 1.00 0.00 C ATOM 1347 OE1 GLN A 88 0.268 8.973 -2.176 1.00 0.00 O ATOM 1348 NE2 GLN A 88 1.118 10.871 -3.032 1.00 0.00 N ATOM 0 H GLN A 88 -2.504 12.910 -1.800 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.207 10.217 -2.911 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.140 11.254 -0.048 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.787 9.610 -0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.196 12.081 -1.306 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.269 10.883 -0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.198 11.886 -2.964 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.592 10.371 -3.785 1.00 0.00 H new ATOM 1357 N GLY A 89 -4.955 11.351 -1.896 1.00 0.00 N ATOM 1358 CA GLY A 89 -6.357 11.076 -1.595 1.00 0.00 C ATOM 1359 C GLY A 89 -7.026 12.276 -0.940 1.00 0.00 C ATOM 1360 O GLY A 89 -6.517 13.398 -1.013 1.00 0.00 O ATOM 0 H GLY A 89 -4.764 12.313 -2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.885 10.819 -2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.427 10.212 -0.934 1.00 0.00 H new ATOM 1364 N ARG A 90 -8.165 12.036 -0.300 1.00 0.00 N ATOM 1365 CA ARG A 90 -8.898 13.098 0.376 1.00 0.00 C ATOM 1366 C ARG A 90 -9.678 12.555 1.570 1.00 0.00 C ATOM 1367 O ARG A 90 -9.965 11.358 1.640 1.00 0.00 O ATOM 1368 CB ARG A 90 -9.801 13.867 -0.577 1.00 0.00 C ATOM 1369 CG ARG A 90 -10.921 13.047 -1.198 1.00 0.00 C ATOM 1370 CD ARG A 90 -11.728 13.778 -2.209 1.00 0.00 C ATOM 1371 NE ARG A 90 -12.867 13.035 -2.724 1.00 0.00 N ATOM 1372 CZ ARG A 90 -13.730 13.501 -3.647 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -13.611 14.716 -4.133 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -14.716 12.711 -4.035 1.00 0.00 N ATOM 0 H ARG A 90 -8.600 11.116 -0.236 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.162 13.808 0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.240 14.707 -0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.189 14.285 -1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.490 12.161 -1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.583 12.699 -0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.087 14.707 -1.766 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.081 14.051 -3.043 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.023 12.095 -2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.856 15.322 -3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.273 15.053 -4.832 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.807 11.776 -3.637 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.385 13.036 -4.733 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.015 13.438 2.502 1.00 0.00 N ATOM 1389 CA VAL A 91 -10.859 13.072 3.634 1.00 0.00 C ATOM 1390 C VAL A 91 -11.807 14.206 4.002 1.00 0.00 C ATOM 1391 O VAL A 91 -11.415 15.371 4.025 1.00 0.00 O ATOM 1392 CB VAL A 91 -10.018 12.697 4.868 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -9.240 13.905 5.369 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -10.908 12.144 5.971 1.00 0.00 C ATOM 0 H VAL A 91 -9.717 14.413 2.497 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.440 12.203 3.325 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.307 11.924 4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.651 13.622 6.242 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.575 14.261 4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.936 14.698 5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.297 11.884 6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.642 12.897 6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.424 11.254 5.610 1.00 0.00 H new ATOM 1404 N SER A 92 -13.055 13.856 4.291 1.00 0.00 N ATOM 1405 CA SER A 92 -14.077 14.849 4.602 1.00 0.00 C ATOM 1406 C SER A 92 -14.281 14.979 6.105 1.00 0.00 C ATOM 1407 O SER A 92 -13.829 14.134 6.880 1.00 0.00 O ATOM 1408 CB SER A 92 -15.383 14.486 3.922 1.00 0.00 C ATOM 1409 OG SER A 92 -15.945 13.317 4.451 1.00 0.00 O ATOM 0 H SER A 92 -13.384 12.891 4.316 1.00 0.00 H new ATOM 0 HA SER A 92 -13.737 15.814 4.226 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.089 15.309 4.031 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.211 14.354 2.854 1.00 0.00 H new ATOM 0 HG SER A 92 -16.785 13.119 3.987 1.00 0.00 H new ATOM 1415 N CYS A 93 -14.964 16.042 6.514 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.372 16.203 7.905 1.00 0.00 C ATOM 1417 C CYS A 93 -16.540 17.171 8.032 1.00 0.00 C ATOM 1418 O CYS A 93 -16.503 18.277 7.488 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.117 16.784 8.559 1.00 0.00 C ATOM 1420 SG CYS A 93 -14.289 17.141 10.324 1.00 0.00 S ATOM 0 H CYS A 93 -15.247 16.807 5.901 1.00 0.00 H new ATOM 0 HA CYS A 93 -15.714 15.273 8.360 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.293 16.084 8.421 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -13.844 17.703 8.040 1.00 0.00 H new ATOM 0 HG CYS A 93 -13.172 17.626 10.780 1.00 0.00 H new ATOM 1426 N THR A 94 -17.576 16.750 8.750 1.00 0.00 N ATOM 1427 CA THR A 94 -18.792 17.545 8.873 1.00 0.00 C ATOM 1428 C THR A 94 -18.639 18.632 9.926 1.00 0.00 C ATOM 1429 O THR A 94 -18.290 18.351 11.075 1.00 0.00 O ATOM 1430 CB THR A 94 -20.006 16.668 9.228 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.201 15.681 8.207 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.261 17.519 9.352 1.00 0.00 C ATOM 0 H THR A 94 -17.598 15.864 9.255 1.00 0.00 H new ATOM 0 HA THR A 94 -18.961 18.009 7.901 1.00 0.00 H new ATOM 0 HB THR A 94 -19.815 16.179 10.183 1.00 0.00 H new ATOM 0 HG1 THR A 94 -20.973 15.122 8.435 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.109 16.882 9.603 1.00 0.00 H new ATOM 0 HG22 THR A 94 -21.120 18.262 10.137 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.454 18.023 8.405 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.895 19.875 9.532 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.766 21.008 10.439 1.00 0.00 C ATOM 1442 C GLY A 95 -20.131 21.492 10.911 1.00 0.00 C ATOM 1443 O GLY A 95 -20.477 22.661 10.738 1.00 0.00 O ATOM 0 H GLY A 95 -19.194 20.123 8.589 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -18.161 20.722 11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.242 21.821 9.937 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.898 20.591 11.512 1.00 0.00 N ATOM 1448 CA ARG A 96 -22.242 20.914 11.978 1.00 0.00 C ATOM 1449 C ARG A 96 -22.212 22.036 13.008 1.00 0.00 C ATOM 1450 O ARG A 96 -21.748 21.845 14.133 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.975 19.691 12.508 1.00 0.00 C ATOM 1452 CG ARG A 96 -24.475 19.869 12.679 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.870 20.564 13.931 1.00 0.00 C ATOM 1454 NE ARG A 96 -26.304 20.612 14.167 1.00 0.00 N ATOM 1455 CZ ARG A 96 -27.134 21.540 13.650 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.673 22.518 12.901 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -28.421 21.456 13.936 1.00 0.00 N ATOM 0 H ARG A 96 -20.612 19.628 11.689 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.805 21.268 11.114 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.798 18.857 11.829 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -22.544 19.416 13.471 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -24.862 20.430 11.828 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.950 18.888 12.656 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.392 20.066 14.775 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -24.485 21.583 13.903 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.710 19.893 14.766 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.674 22.582 12.704 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -27.314 23.212 12.517 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.763 20.703 14.534 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -29.073 22.144 13.559 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.709 23.205 12.621 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.848 24.323 13.546 1.00 0.00 C ATOM 1473 C LEU A 97 -24.303 24.758 13.670 1.00 0.00 C ATOM 1474 O LEU A 97 -25.037 24.796 12.680 1.00 0.00 O ATOM 1475 CB LEU A 97 -21.976 25.500 13.090 1.00 0.00 C ATOM 1476 CG LEU A 97 -20.589 25.575 13.739 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -19.600 24.717 12.961 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -20.126 27.024 13.786 1.00 0.00 C ATOM 0 H LEU A 97 -23.023 23.403 11.671 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.512 23.993 14.529 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.851 25.441 12.009 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.508 26.428 13.299 1.00 0.00 H new ATOM 0 HG LEU A 97 -20.644 25.192 14.758 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -18.618 24.777 13.430 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -19.939 23.681 12.960 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -19.534 25.078 11.935 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -19.140 27.076 14.248 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.074 27.422 12.773 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -20.832 27.613 14.371 1.00 0.00 H new ATOM 1490 N MET A 98 -24.714 25.086 14.888 1.00 0.00 N ATOM 1491 CA MET A 98 -26.114 25.378 15.173 1.00 0.00 C ATOM 1492 C MET A 98 -26.280 26.787 15.729 1.00 0.00 C ATOM 1493 O MET A 98 -25.478 27.244 16.545 1.00 0.00 O ATOM 1494 CB MET A 98 -26.677 24.353 16.155 1.00 0.00 C ATOM 1495 CG MET A 98 -28.123 24.600 16.562 1.00 0.00 C ATOM 1496 SD MET A 98 -28.787 23.284 17.602 1.00 0.00 S ATOM 1497 CE MET A 98 -27.872 23.557 19.117 1.00 0.00 C ATOM 0 H MET A 98 -24.096 25.157 15.697 1.00 0.00 H new ATOM 0 HA MET A 98 -26.670 25.317 14.237 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.602 23.361 15.709 1.00 0.00 H new ATOM 0 HB3 MET A 98 -26.056 24.347 17.051 1.00 0.00 H new ATOM 0 HG2 MET A 98 -28.189 25.548 17.096 1.00 0.00 H new ATOM 0 HG3 MET A 98 -28.737 24.695 15.667 1.00 0.00 H new ATOM 0 HE1 MET A 98 -28.366 23.039 19.939 1.00 0.00 H new ATOM 0 HE2 MET A 98 -26.858 23.173 19.004 1.00 0.00 H new ATOM 0 HE3 MET A 98 -27.834 24.625 19.332 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.329 27.474 15.283 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.557 28.860 15.670 1.00 0.00 C ATOM 1509 C VAL A 99 -28.848 29.007 16.462 1.00 0.00 C ATOM 1510 O VAL A 99 -29.881 28.447 16.094 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.613 29.788 14.441 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -27.877 31.224 14.870 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.318 29.700 13.647 1.00 0.00 C ATOM 0 H VAL A 99 -28.034 27.091 14.653 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.715 29.152 16.297 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.433 29.462 13.801 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -27.913 31.866 13.990 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -28.829 31.277 15.397 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.077 31.559 15.531 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.375 30.362 12.783 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.482 30.000 14.279 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.167 28.675 13.309 1.00 0.00 H new ATOM 1523 N GLN A 100 -28.784 29.764 17.553 1.00 0.00 N ATOM 1524 CA GLN A 100 -29.952 29.994 18.396 1.00 0.00 C ATOM 1525 C GLN A 100 -30.470 31.416 18.236 1.00 0.00 C ATOM 1526 O GLN A 100 -29.695 32.361 18.082 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.614 29.731 19.866 1.00 0.00 C ATOM 1528 CG GLN A 100 -29.184 28.304 20.160 1.00 0.00 C ATOM 1529 CD GLN A 100 -28.836 28.093 21.621 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -29.007 28.992 22.450 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -28.343 26.904 21.945 1.00 0.00 N ATOM 0 H GLN A 100 -27.935 30.229 17.874 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.732 29.301 18.079 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -28.817 30.409 20.171 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -30.486 29.969 20.476 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -29.985 27.621 19.878 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -28.320 28.054 19.544 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -28.219 26.191 21.227 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -28.089 26.704 22.912 1.00 0.00 H new