USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 631 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 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -35:sc= 0.181 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -130:sc= -0.184 (180deg=-0.918) USER MOD Single : A 25 SER OG : rot 180:sc=-0.00664 USER MOD Single : A 26 CYS SG : rot 170:sc= -1.11 USER MOD Single : A 27 SER OG : rot 180:sc= -0.367 USER MOD Single : A 30 CYS SG : rot 160:sc= 0 USER MOD Single : A 33 SER OG : rot -105:sc= 0.206 USER MOD Single : A 34 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.024) USER MOD Single : A 44 THR OG1 : rot 45:sc= 0.49 USER MOD Single : A 48 LYS NZ :NH3+ 147:sc= -0.12 (180deg=-1.39!) USER MOD Single : A 57 GLN : amide:sc= -0.0371 K(o=-0.037,f=-0.69) USER MOD Single : A 59 THR OG1 : rot -12:sc= 0.176 USER MOD Single : A 61 GLN : amide:sc=-0.00765 K(o=-0.0076,f=-1.7!) USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= -2.81 (180deg=-4.18!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc=-0.00163 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 10 2.372 17.522 -4.513 1.00 0.00 N ATOM 101 CA GLY A 10 1.475 16.395 -4.688 1.00 0.00 C ATOM 102 C GLY A 10 2.186 15.163 -5.211 1.00 0.00 C ATOM 103 O GLY A 10 3.302 15.253 -5.722 1.00 0.00 O ATOM 0 HA2 GLY A 10 1.002 16.160 -3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.679 16.672 -5.379 1.00 0.00 H new ATOM 107 N ILE A 11 1.540 14.009 -5.081 1.00 0.00 N ATOM 108 CA ILE A 11 2.119 12.754 -5.544 1.00 0.00 C ATOM 109 C ILE A 11 2.683 12.895 -6.953 1.00 0.00 C ATOM 110 O ILE A 11 1.963 13.241 -7.891 1.00 0.00 O ATOM 111 CB ILE A 11 1.081 11.616 -5.530 1.00 0.00 C ATOM 112 CG1 ILE A 11 0.502 11.441 -4.124 1.00 0.00 C ATOM 113 CG2 ILE A 11 1.710 10.319 -6.015 1.00 0.00 C ATOM 114 CD1 ILE A 11 -0.908 10.893 -4.115 1.00 0.00 C ATOM 0 H ILE A 11 0.616 13.917 -4.659 1.00 0.00 H new ATOM 0 HA ILE A 11 2.927 12.507 -4.855 1.00 0.00 H new ATOM 0 HB ILE A 11 0.268 11.878 -6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.147 10.771 -3.555 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.512 12.404 -3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.964 9.525 -5.999 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.078 10.451 -7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.540 10.050 -5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.254 10.795 -3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.566 11.573 -4.656 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.921 9.915 -4.597 1.00 0.00 H new ATOM 126 N THR A 12 3.976 12.624 -7.098 1.00 0.00 N ATOM 127 CA THR A 12 4.637 12.720 -8.393 1.00 0.00 C ATOM 128 C THR A 12 4.812 11.344 -9.025 1.00 0.00 C ATOM 129 O THR A 12 5.155 11.228 -10.202 1.00 0.00 O ATOM 130 CB THR A 12 6.017 13.395 -8.271 1.00 0.00 C ATOM 131 OG1 THR A 12 6.522 13.716 -9.571 1.00 0.00 O ATOM 132 CG2 THR A 12 7.001 12.487 -7.549 1.00 0.00 C ATOM 0 H THR A 12 4.587 12.336 -6.333 1.00 0.00 H new ATOM 0 HA THR A 12 3.997 13.330 -9.030 1.00 0.00 H new ATOM 0 HB THR A 12 5.899 14.311 -7.692 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.252 13.022 -10.208 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.968 12.984 -7.475 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.628 12.268 -6.549 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.113 11.557 -8.106 1.00 0.00 H new ATOM 140 N LYS A 13 4.571 10.301 -8.237 1.00 0.00 N ATOM 141 CA LYS A 13 4.700 8.931 -8.719 1.00 0.00 C ATOM 142 C LYS A 13 3.474 8.105 -8.342 1.00 0.00 C ATOM 143 O LYS A 13 3.356 7.635 -7.210 1.00 0.00 O ATOM 144 CB LYS A 13 5.962 8.283 -8.146 1.00 0.00 C ATOM 145 CG LYS A 13 6.526 7.175 -9.018 1.00 0.00 C ATOM 146 CD LYS A 13 7.384 6.214 -8.213 1.00 0.00 C ATOM 147 CE LYS A 13 7.467 4.849 -8.879 1.00 0.00 C ATOM 148 NZ LYS A 13 8.415 4.850 -10.028 1.00 0.00 N ATOM 0 H LYS A 13 4.285 10.379 -7.261 1.00 0.00 H new ATOM 0 HA LYS A 13 4.777 8.960 -9.806 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.724 9.050 -8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.737 7.878 -7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.708 6.628 -9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.121 7.610 -9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.387 6.627 -8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.969 6.106 -7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.784 4.106 -8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.477 4.553 -9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.444 3.902 -10.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.099 5.541 -10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.365 5.108 -9.694 1.00 0.00 H new ATOM 162 N ARG A 14 2.567 7.931 -9.297 1.00 0.00 N ATOM 163 CA ARG A 14 1.351 7.160 -9.064 1.00 0.00 C ATOM 164 C ARG A 14 1.680 5.787 -8.486 1.00 0.00 C ATOM 165 O ARG A 14 2.792 5.282 -8.650 1.00 0.00 O ATOM 166 CB ARG A 14 0.565 7.003 -10.367 1.00 0.00 C ATOM 167 CG ARG A 14 -0.357 8.173 -10.668 1.00 0.00 C ATOM 168 CD ARG A 14 0.353 9.246 -11.479 1.00 0.00 C ATOM 169 NE ARG A 14 1.047 10.207 -10.626 1.00 0.00 N ATOM 170 CZ ARG A 14 1.940 11.081 -11.079 1.00 0.00 C ATOM 171 NH1 ARG A 14 2.244 11.114 -12.369 1.00 0.00 N ATOM 172 NH2 ARG A 14 2.529 11.924 -10.240 1.00 0.00 N ATOM 0 H ARG A 14 2.651 8.313 -10.239 1.00 0.00 H new ATOM 0 HA ARG A 14 0.740 7.701 -8.342 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.267 6.883 -11.192 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.027 6.089 -10.316 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.230 7.818 -11.216 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.720 8.602 -9.734 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.069 8.776 -12.153 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.373 9.771 -12.100 1.00 0.00 H new ATOM 0 HE ARG A 14 0.835 10.207 -9.628 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.792 10.468 -13.016 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.930 11.786 -12.714 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.296 11.901 -9.247 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.214 12.595 -10.588 1.00 0.00 H new ATOM 186 N LEU A 15 0.707 5.188 -7.809 1.00 0.00 N ATOM 187 CA LEU A 15 0.892 3.872 -7.206 1.00 0.00 C ATOM 188 C LEU A 15 1.037 2.797 -8.278 1.00 0.00 C ATOM 189 O LEU A 15 0.825 3.054 -9.464 1.00 0.00 O ATOM 190 CB LEU A 15 -0.286 3.539 -6.290 1.00 0.00 C ATOM 191 CG LEU A 15 -0.215 4.106 -4.872 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.564 3.984 -4.179 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.866 3.398 -4.067 1.00 0.00 C ATOM 0 H LEU A 15 -0.218 5.592 -7.664 1.00 0.00 H new ATOM 0 HA LEU A 15 1.808 3.896 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.200 3.903 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.372 2.455 -6.222 1.00 0.00 H new ATOM 0 HG LEU A 15 0.042 5.163 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.494 4.393 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.314 4.538 -4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.852 2.934 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.902 3.815 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.639 2.333 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.832 3.538 -4.552 1.00 0.00 H new ATOM 205 N LYS A 16 1.398 1.591 -7.854 1.00 0.00 N ATOM 206 CA LYS A 16 1.568 0.474 -8.776 1.00 0.00 C ATOM 207 C LYS A 16 0.780 -0.745 -8.306 1.00 0.00 C ATOM 208 O LYS A 16 0.735 -1.047 -7.113 1.00 0.00 O ATOM 209 CB LYS A 16 3.050 0.116 -8.908 1.00 0.00 C ATOM 210 CG LYS A 16 3.305 -1.115 -9.761 1.00 0.00 C ATOM 211 CD LYS A 16 4.787 -1.311 -10.028 1.00 0.00 C ATOM 212 CE LYS A 16 5.027 -2.006 -11.360 1.00 0.00 C ATOM 213 NZ LYS A 16 5.052 -1.040 -12.493 1.00 0.00 N ATOM 0 H LYS A 16 1.579 1.362 -6.877 1.00 0.00 H new ATOM 0 HA LYS A 16 1.185 0.779 -9.750 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.583 0.963 -9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.465 -0.049 -7.914 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.905 -1.996 -9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.773 -1.019 -10.708 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.289 -0.344 -10.026 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.228 -1.901 -9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.973 -2.546 -11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.244 -2.745 -11.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.218 -1.553 -13.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.140 -0.542 -12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.815 -0.350 -12.344 1.00 0.00 H new ATOM 227 N THR A 17 0.159 -1.443 -9.252 1.00 0.00 N ATOM 228 CA THR A 17 -0.627 -2.629 -8.935 1.00 0.00 C ATOM 229 C THR A 17 0.274 -3.814 -8.607 1.00 0.00 C ATOM 230 O THR A 17 1.141 -4.184 -9.398 1.00 0.00 O ATOM 231 CB THR A 17 -1.558 -3.014 -10.099 1.00 0.00 C ATOM 232 OG1 THR A 17 -2.587 -2.029 -10.250 1.00 0.00 O ATOM 233 CG2 THR A 17 -2.187 -4.379 -9.862 1.00 0.00 C ATOM 0 H THR A 17 0.185 -1.207 -10.244 1.00 0.00 H new ATOM 0 HA THR A 17 -1.232 -2.383 -8.062 1.00 0.00 H new ATOM 0 HB THR A 17 -0.962 -3.060 -11.011 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.174 -2.280 -10.993 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.840 -4.629 -10.698 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.403 -5.131 -9.777 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.769 -4.356 -8.941 1.00 0.00 H new ATOM 241 N MET A 18 0.063 -4.406 -7.435 1.00 0.00 N ATOM 242 CA MET A 18 0.856 -5.551 -7.004 1.00 0.00 C ATOM 243 C MET A 18 0.066 -6.847 -7.156 1.00 0.00 C ATOM 244 O MET A 18 -1.060 -6.958 -6.671 1.00 0.00 O ATOM 245 CB MET A 18 1.296 -5.376 -5.550 1.00 0.00 C ATOM 246 CG MET A 18 2.153 -4.142 -5.319 1.00 0.00 C ATOM 247 SD MET A 18 3.858 -4.369 -5.860 1.00 0.00 S ATOM 248 CE MET A 18 4.422 -5.603 -4.692 1.00 0.00 C ATOM 0 H MET A 18 -0.650 -4.111 -6.768 1.00 0.00 H new ATOM 0 HA MET A 18 1.740 -5.608 -7.639 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.411 -5.318 -4.916 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.854 -6.259 -5.239 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.717 -3.297 -5.851 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.143 -3.891 -4.258 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.364 -5.281 -4.249 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.676 -5.729 -3.907 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.570 -6.552 -5.208 1.00 0.00 H new ATOM 258 N GLU A 19 0.663 -7.824 -7.832 1.00 0.00 N ATOM 259 CA GLU A 19 0.013 -9.111 -8.048 1.00 0.00 C ATOM 260 C GLU A 19 0.800 -10.236 -7.382 1.00 0.00 C ATOM 261 O GLU A 19 1.881 -10.608 -7.839 1.00 0.00 O ATOM 262 CB GLU A 19 -0.130 -9.391 -9.545 1.00 0.00 C ATOM 263 CG GLU A 19 -0.699 -10.765 -9.856 1.00 0.00 C ATOM 264 CD GLU A 19 0.313 -11.875 -9.650 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.459 -11.728 -10.126 1.00 0.00 O ATOM 266 OE2 GLU A 19 -0.039 -12.891 -9.015 1.00 0.00 O ATOM 0 H GLU A 19 1.595 -7.748 -8.239 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.979 -9.068 -7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.774 -8.632 -9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.847 -9.296 -10.019 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.567 -10.947 -9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.049 -10.784 -10.888 1.00 0.00 H new ATOM 273 N VAL A 20 0.250 -10.774 -6.297 1.00 0.00 N ATOM 274 CA VAL A 20 0.899 -11.857 -5.568 1.00 0.00 C ATOM 275 C VAL A 20 -0.087 -12.974 -5.251 1.00 0.00 C ATOM 276 O VAL A 20 -1.247 -12.930 -5.664 1.00 0.00 O ATOM 277 CB VAL A 20 1.526 -11.352 -4.255 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.221 -10.016 -4.473 1.00 0.00 C ATOM 279 CG2 VAL A 20 0.467 -11.240 -3.168 1.00 0.00 C ATOM 0 H VAL A 20 -0.643 -10.477 -5.904 1.00 0.00 H new ATOM 0 HA VAL A 20 1.687 -12.245 -6.213 1.00 0.00 H new ATOM 0 HB VAL A 20 2.274 -12.074 -3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.658 -9.676 -3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.008 -10.133 -5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.496 -9.281 -4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.927 -10.882 -2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.306 -10.539 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.020 -12.219 -2.993 1.00 0.00 H new ATOM 289 N LEU A 21 0.379 -13.976 -4.514 1.00 0.00 N ATOM 290 CA LEU A 21 -0.463 -15.107 -4.139 1.00 0.00 C ATOM 291 C LEU A 21 -0.829 -15.047 -2.660 1.00 0.00 C ATOM 292 O LEU A 21 -0.104 -14.465 -1.855 1.00 0.00 O ATOM 293 CB LEU A 21 0.253 -16.424 -4.446 1.00 0.00 C ATOM 294 CG LEU A 21 -0.528 -17.701 -4.132 1.00 0.00 C ATOM 295 CD1 LEU A 21 -1.591 -17.951 -5.190 1.00 0.00 C ATOM 296 CD2 LEU A 21 0.415 -18.891 -4.029 1.00 0.00 C ATOM 0 H LEU A 21 1.336 -14.029 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.381 -15.054 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.516 -16.434 -5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.187 -16.446 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.025 -17.572 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.136 -18.864 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.284 -17.110 -5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.116 -18.059 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.158 -19.791 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.941 -19.021 -4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.138 -18.714 -3.233 1.00 0.00 H new ATOM 308 N GLU A 22 -1.959 -15.655 -2.310 1.00 0.00 N ATOM 309 CA GLU A 22 -2.420 -15.671 -0.927 1.00 0.00 C ATOM 310 C GLU A 22 -1.361 -16.273 -0.007 1.00 0.00 C ATOM 311 O GLU A 22 -0.852 -17.365 -0.260 1.00 0.00 O ATOM 312 CB GLU A 22 -3.723 -16.464 -0.810 1.00 0.00 C ATOM 313 CG GLU A 22 -4.210 -16.627 0.620 1.00 0.00 C ATOM 314 CD GLU A 22 -5.306 -17.667 0.748 1.00 0.00 C ATOM 315 OE1 GLU A 22 -5.954 -17.974 -0.274 1.00 0.00 O ATOM 316 OE2 GLU A 22 -5.516 -18.174 1.870 1.00 0.00 O ATOM 0 H GLU A 22 -2.571 -16.142 -2.965 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.601 -14.641 -0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.496 -15.964 -1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.579 -17.451 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.371 -16.909 1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.579 -15.669 0.986 1.00 0.00 H new ATOM 323 N GLY A 23 -1.034 -15.553 1.061 1.00 0.00 N ATOM 324 CA GLY A 23 -0.038 -16.031 2.002 1.00 0.00 C ATOM 325 C GLY A 23 1.271 -15.274 1.894 1.00 0.00 C ATOM 326 O GLY A 23 1.989 -15.121 2.882 1.00 0.00 O ATOM 0 H GLY A 23 -1.441 -14.647 1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.426 -15.937 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.143 -17.091 1.827 1.00 0.00 H new ATOM 330 N GLU A 24 1.582 -14.800 0.692 1.00 0.00 N ATOM 331 CA GLU A 24 2.815 -14.057 0.460 1.00 0.00 C ATOM 332 C GLU A 24 2.728 -12.657 1.060 1.00 0.00 C ATOM 333 O GLU A 24 1.657 -12.213 1.474 1.00 0.00 O ATOM 334 CB GLU A 24 3.106 -13.964 -1.040 1.00 0.00 C ATOM 335 CG GLU A 24 3.492 -15.293 -1.668 1.00 0.00 C ATOM 336 CD GLU A 24 3.894 -15.154 -3.124 1.00 0.00 C ATOM 337 OE1 GLU A 24 4.705 -14.257 -3.434 1.00 0.00 O ATOM 338 OE2 GLU A 24 3.396 -15.945 -3.953 1.00 0.00 O ATOM 0 H GLU A 24 0.998 -14.917 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 24 3.629 -14.593 0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.225 -13.573 -1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.911 -13.248 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.318 -15.730 -1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.653 -15.985 -1.591 1.00 0.00 H new ATOM 345 N SER A 25 3.863 -11.967 1.104 1.00 0.00 N ATOM 346 CA SER A 25 3.918 -10.619 1.657 1.00 0.00 C ATOM 347 C SER A 25 4.202 -9.594 0.563 1.00 0.00 C ATOM 348 O SER A 25 5.130 -9.757 -0.229 1.00 0.00 O ATOM 349 CB SER A 25 4.992 -10.533 2.743 1.00 0.00 C ATOM 350 OG SER A 25 6.287 -10.454 2.175 1.00 0.00 O ATOM 0 H SER A 25 4.757 -12.320 0.763 1.00 0.00 H new ATOM 0 HA SER A 25 2.947 -10.395 2.098 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.812 -9.659 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.929 -11.407 3.391 1.00 0.00 H new ATOM 0 HG SER A 25 6.955 -10.398 2.890 1.00 0.00 H new ATOM 356 N CYS A 26 3.396 -8.538 0.527 1.00 0.00 N ATOM 357 CA CYS A 26 3.559 -7.486 -0.469 1.00 0.00 C ATOM 358 C CYS A 26 3.844 -6.144 0.198 1.00 0.00 C ATOM 359 O CYS A 26 3.742 -6.012 1.418 1.00 0.00 O ATOM 360 CB CYS A 26 2.305 -7.380 -1.339 1.00 0.00 C ATOM 361 SG CYS A 26 0.755 -7.443 -0.410 1.00 0.00 S ATOM 0 H CYS A 26 2.624 -8.388 1.176 1.00 0.00 H new ATOM 0 HA CYS A 26 4.410 -7.746 -1.099 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.343 -6.446 -1.900 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.312 -8.190 -2.068 1.00 0.00 H new ATOM 0 HG CYS A 26 -0.234 -7.134 -1.195 1.00 0.00 H new ATOM 367 N SER A 27 4.204 -5.152 -0.610 1.00 0.00 N ATOM 368 CA SER A 27 4.510 -3.822 -0.097 1.00 0.00 C ATOM 369 C SER A 27 4.263 -2.759 -1.163 1.00 0.00 C ATOM 370 O SER A 27 4.585 -2.951 -2.335 1.00 0.00 O ATOM 371 CB SER A 27 5.964 -3.757 0.377 1.00 0.00 C ATOM 372 OG SER A 27 6.375 -4.993 0.933 1.00 0.00 O ATOM 0 H SER A 27 4.291 -5.244 -1.622 1.00 0.00 H new ATOM 0 HA SER A 27 3.851 -3.625 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.612 -3.498 -0.461 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.073 -2.967 1.120 1.00 0.00 H new ATOM 0 HG SER A 27 7.308 -4.926 1.227 1.00 0.00 H new ATOM 378 N PHE A 28 3.688 -1.635 -0.746 1.00 0.00 N ATOM 379 CA PHE A 28 3.395 -0.540 -1.664 1.00 0.00 C ATOM 380 C PHE A 28 4.177 0.713 -1.283 1.00 0.00 C ATOM 381 O PHE A 28 4.438 0.960 -0.106 1.00 0.00 O ATOM 382 CB PHE A 28 1.895 -0.237 -1.667 1.00 0.00 C ATOM 383 CG PHE A 28 1.067 -1.316 -2.306 1.00 0.00 C ATOM 384 CD1 PHE A 28 0.742 -2.465 -1.604 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.613 -1.179 -3.607 1.00 0.00 C ATOM 386 CE1 PHE A 28 -0.019 -3.459 -2.189 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.149 -2.170 -4.198 1.00 0.00 C ATOM 388 CZ PHE A 28 -0.466 -3.311 -3.487 1.00 0.00 C ATOM 0 H PHE A 28 3.416 -1.459 0.221 1.00 0.00 H new ATOM 0 HA PHE A 28 3.699 -0.847 -2.665 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.559 -0.093 -0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.723 0.702 -2.193 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.087 -2.585 -0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.857 -0.288 -4.166 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.264 -4.351 -1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.496 -2.052 -5.214 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.062 -4.086 -3.945 1.00 0.00 H new ATOM 398 N GLU A 29 4.550 1.499 -2.288 1.00 0.00 N ATOM 399 CA GLU A 29 5.304 2.726 -2.058 1.00 0.00 C ATOM 400 C GLU A 29 4.690 3.894 -2.824 1.00 0.00 C ATOM 401 O GLU A 29 4.068 3.705 -3.870 1.00 0.00 O ATOM 402 CB GLU A 29 6.764 2.539 -2.477 1.00 0.00 C ATOM 403 CG GLU A 29 6.949 1.549 -3.615 1.00 0.00 C ATOM 404 CD GLU A 29 8.278 1.719 -4.325 1.00 0.00 C ATOM 405 OE1 GLU A 29 9.312 1.315 -3.754 1.00 0.00 O ATOM 406 OE2 GLU A 29 8.283 2.256 -5.452 1.00 0.00 O ATOM 0 H GLU A 29 4.343 1.308 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 29 5.265 2.952 -0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.174 3.504 -2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.340 2.201 -1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.877 0.534 -3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.139 1.672 -4.334 1.00 0.00 H new ATOM 413 N CYS A 30 4.867 5.099 -2.295 1.00 0.00 N ATOM 414 CA CYS A 30 4.329 6.299 -2.927 1.00 0.00 C ATOM 415 C CYS A 30 5.232 7.500 -2.669 1.00 0.00 C ATOM 416 O CYS A 30 5.455 7.888 -1.522 1.00 0.00 O ATOM 417 CB CYS A 30 2.919 6.584 -2.409 1.00 0.00 C ATOM 418 SG CYS A 30 1.873 7.486 -3.576 1.00 0.00 S ATOM 0 H CYS A 30 5.379 5.272 -1.430 1.00 0.00 H new ATOM 0 HA CYS A 30 4.285 6.126 -4.002 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.437 5.639 -2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.992 7.157 -1.485 1.00 0.00 H new ATOM 0 HG CYS A 30 0.624 7.316 -3.260 1.00 0.00 H new ATOM 424 N VAL A 31 5.751 8.086 -3.744 1.00 0.00 N ATOM 425 CA VAL A 31 6.630 9.244 -3.634 1.00 0.00 C ATOM 426 C VAL A 31 5.867 10.539 -3.884 1.00 0.00 C ATOM 427 O VAL A 31 4.887 10.562 -4.630 1.00 0.00 O ATOM 428 CB VAL A 31 7.804 9.153 -4.628 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.863 10.193 -4.299 1.00 0.00 C ATOM 430 CG2 VAL A 31 8.399 7.753 -4.622 1.00 0.00 C ATOM 0 H VAL A 31 5.578 7.778 -4.701 1.00 0.00 H new ATOM 0 HA VAL A 31 7.023 9.248 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 31 7.427 9.358 -5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.684 10.114 -5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.425 11.189 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.240 10.022 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.227 7.706 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.763 7.516 -3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.634 7.031 -4.910 1.00 0.00 H new ATOM 440 N LEU A 32 6.321 11.617 -3.254 1.00 0.00 N ATOM 441 CA LEU A 32 5.681 12.919 -3.408 1.00 0.00 C ATOM 442 C LEU A 32 6.626 13.916 -4.070 1.00 0.00 C ATOM 443 O LEU A 32 7.837 13.877 -3.853 1.00 0.00 O ATOM 444 CB LEU A 32 5.231 13.452 -2.046 1.00 0.00 C ATOM 445 CG LEU A 32 4.564 12.439 -1.116 1.00 0.00 C ATOM 446 CD1 LEU A 32 4.535 12.963 0.312 1.00 0.00 C ATOM 447 CD2 LEU A 32 3.156 12.120 -1.597 1.00 0.00 C ATOM 0 H LEU A 32 7.129 11.615 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 32 4.808 12.794 -4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.100 13.867 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.536 14.275 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 32 5.149 11.520 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.056 12.228 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.554 13.140 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.973 13.897 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.696 11.397 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.561 13.033 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.201 11.701 -2.602 1.00 0.00 H new ATOM 459 N SER A 33 6.065 14.810 -4.877 1.00 0.00 N ATOM 460 CA SER A 33 6.858 15.817 -5.572 1.00 0.00 C ATOM 461 C SER A 33 7.769 16.559 -4.599 1.00 0.00 C ATOM 462 O SER A 33 8.953 16.761 -4.869 1.00 0.00 O ATOM 463 CB SER A 33 5.943 16.811 -6.291 1.00 0.00 C ATOM 464 OG SER A 33 5.381 17.738 -5.378 1.00 0.00 O ATOM 0 H SER A 33 5.064 14.858 -5.066 1.00 0.00 H new ATOM 0 HA SER A 33 7.480 15.308 -6.308 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.509 17.345 -7.054 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.146 16.272 -6.804 1.00 0.00 H new ATOM 0 HG SER A 33 4.442 17.508 -5.215 1.00 0.00 H new ATOM 470 N HIS A 34 7.207 16.963 -3.464 1.00 0.00 N ATOM 471 CA HIS A 34 7.967 17.682 -2.448 1.00 0.00 C ATOM 472 C HIS A 34 7.706 17.102 -1.061 1.00 0.00 C ATOM 473 O HIS A 34 6.672 16.480 -0.824 1.00 0.00 O ATOM 474 CB HIS A 34 7.606 19.168 -2.467 1.00 0.00 C ATOM 475 CG HIS A 34 8.704 20.058 -1.971 1.00 0.00 C ATOM 476 ND1 HIS A 34 8.471 21.226 -1.278 1.00 0.00 N ATOM 477 CD2 HIS A 34 10.050 19.943 -2.070 1.00 0.00 C ATOM 478 CE1 HIS A 34 9.625 21.793 -0.973 1.00 0.00 C ATOM 479 NE2 HIS A 34 10.599 21.034 -1.442 1.00 0.00 N ATOM 0 H HIS A 34 6.228 16.805 -3.225 1.00 0.00 H new ATOM 0 HA HIS A 34 9.027 17.569 -2.676 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.347 19.457 -3.485 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.718 19.325 -1.855 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.591 19.142 -2.553 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.750 22.719 -0.432 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.597 21.227 -1.352 1.00 0.00 H new ATOM 547 N PRO A 40 0.862 13.589 8.529 1.00 0.00 N ATOM 548 CA PRO A 40 0.596 12.184 8.855 1.00 0.00 C ATOM 549 C PRO A 40 -0.198 11.476 7.763 1.00 0.00 C ATOM 550 O PRO A 40 -1.313 11.878 7.433 1.00 0.00 O ATOM 551 CB PRO A 40 -0.225 12.268 10.144 1.00 0.00 C ATOM 552 CG PRO A 40 -0.872 13.609 10.095 1.00 0.00 C ATOM 553 CD PRO A 40 0.101 14.512 9.388 1.00 0.00 C ATOM 0 HA PRO A 40 1.516 11.608 8.956 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.968 11.472 10.193 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.409 12.167 11.025 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.822 13.565 9.562 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.087 13.976 11.099 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.412 15.275 8.802 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.750 15.033 10.092 1.00 0.00 H new ATOM 561 N ALA A 41 0.384 10.419 7.205 1.00 0.00 N ATOM 562 CA ALA A 41 -0.271 9.654 6.151 1.00 0.00 C ATOM 563 C ALA A 41 -1.114 8.526 6.735 1.00 0.00 C ATOM 564 O ALA A 41 -0.941 8.144 7.893 1.00 0.00 O ATOM 565 CB ALA A 41 0.762 9.096 5.184 1.00 0.00 C ATOM 0 H ALA A 41 1.308 10.073 7.465 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.935 10.326 5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.259 8.527 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.319 9.917 4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.449 8.443 5.722 1.00 0.00 H new ATOM 571 N MET A 42 -2.028 7.997 5.928 1.00 0.00 N ATOM 572 CA MET A 42 -2.898 6.912 6.366 1.00 0.00 C ATOM 573 C MET A 42 -3.116 5.903 5.243 1.00 0.00 C ATOM 574 O MET A 42 -3.319 6.280 4.089 1.00 0.00 O ATOM 575 CB MET A 42 -4.243 7.467 6.837 1.00 0.00 C ATOM 576 CG MET A 42 -5.110 6.439 7.548 1.00 0.00 C ATOM 577 SD MET A 42 -6.317 7.194 8.654 1.00 0.00 S ATOM 578 CE MET A 42 -7.850 6.698 7.871 1.00 0.00 C ATOM 0 H MET A 42 -2.185 8.302 4.967 1.00 0.00 H new ATOM 0 HA MET A 42 -2.412 6.403 7.198 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.065 8.307 7.509 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.787 7.857 5.977 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.631 5.834 6.806 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.472 5.764 8.119 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.693 7.090 8.440 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.884 7.092 6.855 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.908 5.610 7.841 1.00 0.00 H new ATOM 588 N TRP A 43 -3.073 4.621 5.588 1.00 0.00 N ATOM 589 CA TRP A 43 -3.266 3.559 4.608 1.00 0.00 C ATOM 590 C TRP A 43 -4.584 2.829 4.848 1.00 0.00 C ATOM 591 O TRP A 43 -4.891 2.435 5.974 1.00 0.00 O ATOM 592 CB TRP A 43 -2.103 2.568 4.664 1.00 0.00 C ATOM 593 CG TRP A 43 -0.841 3.097 4.052 1.00 0.00 C ATOM 594 CD1 TRP A 43 0.162 3.767 4.692 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.450 3.003 2.678 1.00 0.00 C ATOM 596 NE1 TRP A 43 1.153 4.095 3.799 1.00 0.00 N ATOM 597 CE2 TRP A 43 0.802 3.636 2.557 1.00 0.00 C ATOM 598 CE3 TRP A 43 -1.035 2.442 1.539 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.476 3.725 1.342 1.00 0.00 C ATOM 600 CZ3 TRP A 43 -0.364 2.532 0.334 1.00 0.00 C ATOM 601 CH2 TRP A 43 0.881 3.168 0.243 1.00 0.00 C ATOM 0 H TRP A 43 -2.906 4.292 6.539 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.299 4.014 3.618 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.911 2.303 5.704 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.391 1.651 4.150 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.174 4.004 5.746 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.011 4.599 4.024 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.993 1.948 1.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.435 4.217 1.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.807 2.104 -0.553 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.381 3.220 -0.713 1.00 0.00 H new ATOM 612 N THR A 44 -5.360 2.652 3.784 1.00 0.00 N ATOM 613 CA THR A 44 -6.644 1.970 3.879 1.00 0.00 C ATOM 614 C THR A 44 -6.797 0.927 2.778 1.00 0.00 C ATOM 615 O THR A 44 -7.097 1.260 1.631 1.00 0.00 O ATOM 616 CB THR A 44 -7.816 2.966 3.793 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.678 3.787 2.628 1.00 0.00 O ATOM 618 CG2 THR A 44 -7.872 3.844 5.034 1.00 0.00 C ATOM 0 H THR A 44 -5.121 2.972 2.845 1.00 0.00 H new ATOM 0 HA THR A 44 -6.667 1.475 4.850 1.00 0.00 H new ATOM 0 HB THR A 44 -8.743 2.396 3.727 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.444 3.227 1.859 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.707 4.539 4.950 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.007 3.219 5.916 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.942 4.404 5.126 1.00 0.00 H new ATOM 626 N VAL A 45 -6.589 -0.337 3.133 1.00 0.00 N ATOM 627 CA VAL A 45 -6.706 -1.429 2.175 1.00 0.00 C ATOM 628 C VAL A 45 -7.871 -2.347 2.527 1.00 0.00 C ATOM 629 O VAL A 45 -7.951 -2.867 3.639 1.00 0.00 O ATOM 630 CB VAL A 45 -5.411 -2.261 2.113 1.00 0.00 C ATOM 631 CG1 VAL A 45 -5.118 -2.895 3.464 1.00 0.00 C ATOM 632 CG2 VAL A 45 -5.512 -3.323 1.028 1.00 0.00 C ATOM 0 H VAL A 45 -6.339 -0.630 4.077 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.886 -0.977 1.200 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.584 -1.596 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.200 -3.479 3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.000 -2.114 4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.944 -3.548 3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.589 -3.901 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.349 -3.987 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.671 -2.843 0.062 1.00 0.00 H new ATOM 642 N GLY A 46 -8.773 -2.543 1.570 1.00 0.00 N ATOM 643 CA GLY A 46 -9.922 -3.399 1.798 1.00 0.00 C ATOM 644 C GLY A 46 -11.109 -2.640 2.358 1.00 0.00 C ATOM 645 O GLY A 46 -12.243 -2.842 1.928 1.00 0.00 O ATOM 0 H GLY A 46 -8.728 -2.124 0.641 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.209 -3.875 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.646 -4.196 2.488 1.00 0.00 H new ATOM 649 N GLY A 47 -10.847 -1.764 3.324 1.00 0.00 N ATOM 650 CA GLY A 47 -11.912 -0.987 3.929 1.00 0.00 C ATOM 651 C GLY A 47 -11.752 -0.853 5.430 1.00 0.00 C ATOM 652 O GLY A 47 -12.716 -1.000 6.181 1.00 0.00 O ATOM 0 H GLY A 47 -9.916 -1.579 3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.934 0.006 3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.870 -1.458 3.710 1.00 0.00 H new ATOM 656 N LYS A 48 -10.529 -0.575 5.870 1.00 0.00 N ATOM 657 CA LYS A 48 -10.243 -0.423 7.292 1.00 0.00 C ATOM 658 C LYS A 48 -8.851 0.163 7.507 1.00 0.00 C ATOM 659 O LYS A 48 -7.892 -0.227 6.841 1.00 0.00 O ATOM 660 CB LYS A 48 -10.357 -1.772 8.004 1.00 0.00 C ATOM 661 CG LYS A 48 -9.384 -2.817 7.485 1.00 0.00 C ATOM 662 CD LYS A 48 -9.880 -4.227 7.760 1.00 0.00 C ATOM 663 CE LYS A 48 -9.498 -4.689 9.158 1.00 0.00 C ATOM 664 NZ LYS A 48 -10.332 -4.037 10.206 1.00 0.00 N ATOM 0 H LYS A 48 -9.720 -0.450 5.262 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.976 0.265 7.713 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.186 -1.626 9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.374 -2.148 7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.243 -2.683 6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.411 -2.675 7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.964 -4.261 7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.461 -4.912 7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.610 -5.771 9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.447 -4.465 9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.473 -4.697 10.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.851 -3.181 10.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.255 -3.777 9.803 1.00 0.00 H new ATOM 678 N THR A 49 -8.747 1.101 8.444 1.00 0.00 N ATOM 679 CA THR A 49 -7.473 1.739 8.747 1.00 0.00 C ATOM 680 C THR A 49 -6.453 0.722 9.248 1.00 0.00 C ATOM 681 O THR A 49 -6.767 -0.129 10.080 1.00 0.00 O ATOM 682 CB THR A 49 -7.637 2.847 9.805 1.00 0.00 C ATOM 683 OG1 THR A 49 -8.756 3.677 9.475 1.00 0.00 O ATOM 684 CG2 THR A 49 -6.379 3.697 9.898 1.00 0.00 C ATOM 0 H THR A 49 -9.530 1.435 9.006 1.00 0.00 H new ATOM 0 HA THR A 49 -7.114 2.183 7.818 1.00 0.00 H new ATOM 0 HB THR A 49 -7.809 2.373 10.772 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.855 4.378 10.153 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.519 4.472 10.651 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.534 3.067 10.178 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.181 4.161 8.932 1.00 0.00 H new ATOM 692 N VAL A 50 -5.230 0.815 8.735 1.00 0.00 N ATOM 693 CA VAL A 50 -4.164 -0.096 9.132 1.00 0.00 C ATOM 694 C VAL A 50 -2.970 0.667 9.696 1.00 0.00 C ATOM 695 O VAL A 50 -2.695 1.796 9.293 1.00 0.00 O ATOM 696 CB VAL A 50 -3.693 -0.959 7.946 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.884 -1.575 7.228 1.00 0.00 C ATOM 698 CG2 VAL A 50 -2.851 -0.132 6.987 1.00 0.00 C ATOM 0 H VAL A 50 -4.953 1.512 8.044 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.575 -0.746 9.905 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.073 -1.769 8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.532 -2.181 6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.442 -2.203 7.922 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.532 -0.783 6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.527 -0.757 6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.444 0.699 6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.978 0.256 7.511 1.00 0.00 H new ATOM 772 N PHE A 56 0.809 -4.746 9.149 1.00 0.00 N ATOM 773 CA PHE A 56 0.834 -3.463 8.457 1.00 0.00 C ATOM 774 C PHE A 56 1.771 -2.484 9.159 1.00 0.00 C ATOM 775 O PHE A 56 1.403 -1.865 10.157 1.00 0.00 O ATOM 776 CB PHE A 56 -0.576 -2.872 8.382 1.00 0.00 C ATOM 777 CG PHE A 56 -1.532 -3.704 7.577 1.00 0.00 C ATOM 778 CD1 PHE A 56 -1.467 -3.714 6.193 1.00 0.00 C ATOM 779 CD2 PHE A 56 -2.496 -4.477 8.204 1.00 0.00 C ATOM 780 CE1 PHE A 56 -2.347 -4.478 5.450 1.00 0.00 C ATOM 781 CE2 PHE A 56 -3.378 -5.244 7.466 1.00 0.00 C ATOM 782 CZ PHE A 56 -3.303 -5.245 6.087 1.00 0.00 C ATOM 0 HA PHE A 56 1.204 -3.631 7.446 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.968 -2.758 9.393 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.520 -1.874 7.947 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.720 -3.118 5.689 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.559 -4.480 9.282 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.287 -4.475 4.372 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.125 -5.842 7.967 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.990 -5.844 5.508 1.00 0.00 H new ATOM 792 N GLN A 57 2.983 -2.351 8.630 1.00 0.00 N ATOM 793 CA GLN A 57 3.973 -1.449 9.206 1.00 0.00 C ATOM 794 C GLN A 57 4.175 -0.225 8.320 1.00 0.00 C ATOM 795 O GLN A 57 5.034 -0.220 7.438 1.00 0.00 O ATOM 796 CB GLN A 57 5.304 -2.177 9.402 1.00 0.00 C ATOM 797 CG GLN A 57 6.418 -1.280 9.915 1.00 0.00 C ATOM 798 CD GLN A 57 6.078 -0.625 11.239 1.00 0.00 C ATOM 799 OE1 GLN A 57 5.388 0.394 11.282 1.00 0.00 O ATOM 800 NE2 GLN A 57 6.560 -1.208 12.330 1.00 0.00 N ATOM 0 H GLN A 57 3.303 -2.856 7.804 1.00 0.00 H new ATOM 0 HA GLN A 57 3.603 -1.116 10.176 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.159 -2.999 10.103 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.611 -2.617 8.453 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.329 -1.868 10.028 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.627 -0.507 9.175 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.128 -2.052 12.249 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.363 -0.812 13.249 1.00 0.00 H new ATOM 809 N ALA A 58 3.378 0.811 8.559 1.00 0.00 N ATOM 810 CA ALA A 58 3.471 2.042 7.784 1.00 0.00 C ATOM 811 C ALA A 58 4.796 2.753 8.039 1.00 0.00 C ATOM 812 O ALA A 58 5.046 3.247 9.139 1.00 0.00 O ATOM 813 CB ALA A 58 2.304 2.962 8.112 1.00 0.00 C ATOM 0 H ALA A 58 2.660 0.822 9.284 1.00 0.00 H new ATOM 0 HA ALA A 58 3.427 1.780 6.727 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.386 3.877 7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.367 2.460 7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.322 3.208 9.174 1.00 0.00 H new ATOM 819 N THR A 59 5.643 2.801 7.015 1.00 0.00 N ATOM 820 CA THR A 59 6.943 3.450 7.130 1.00 0.00 C ATOM 821 C THR A 59 6.960 4.782 6.388 1.00 0.00 C ATOM 822 O THR A 59 6.148 5.014 5.492 1.00 0.00 O ATOM 823 CB THR A 59 8.068 2.554 6.578 1.00 0.00 C ATOM 824 OG1 THR A 59 7.777 2.176 5.228 1.00 0.00 O ATOM 825 CG2 THR A 59 8.236 1.307 7.434 1.00 0.00 C ATOM 0 H THR A 59 5.452 2.398 6.098 1.00 0.00 H new ATOM 0 HA THR A 59 7.116 3.626 8.192 1.00 0.00 H new ATOM 0 HB THR A 59 8.998 3.121 6.603 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.848 2.405 5.017 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.036 0.690 7.025 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.487 1.597 8.454 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.305 0.740 7.437 1.00 0.00 H new ATOM 833 N ARG A 60 7.890 5.652 6.766 1.00 0.00 N ATOM 834 CA ARG A 60 8.012 6.962 6.136 1.00 0.00 C ATOM 835 C ARG A 60 9.476 7.302 5.868 1.00 0.00 C ATOM 836 O ARG A 60 10.242 7.560 6.795 1.00 0.00 O ATOM 837 CB ARG A 60 7.381 8.038 7.021 1.00 0.00 C ATOM 838 CG ARG A 60 7.686 9.456 6.567 1.00 0.00 C ATOM 839 CD ARG A 60 7.337 10.473 7.643 1.00 0.00 C ATOM 840 NE ARG A 60 7.938 11.777 7.378 1.00 0.00 N ATOM 841 CZ ARG A 60 9.247 12.003 7.406 1.00 0.00 C ATOM 842 NH1 ARG A 60 10.087 11.016 7.685 1.00 0.00 N ATOM 843 NH2 ARG A 60 9.717 13.218 7.154 1.00 0.00 N ATOM 0 H ARG A 60 8.570 5.474 7.505 1.00 0.00 H new ATOM 0 HA ARG A 60 7.484 6.930 5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.301 7.895 7.037 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.735 7.909 8.044 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.743 9.539 6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.124 9.677 5.660 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.254 10.579 7.704 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.677 10.107 8.612 1.00 0.00 H new ATOM 0 HE ARG A 60 7.319 12.557 7.159 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.729 10.081 7.879 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.092 11.192 7.706 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.073 13.979 6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.722 13.391 7.176 1.00 0.00 H new ATOM 857 N GLN A 61 9.855 7.299 4.594 1.00 0.00 N ATOM 858 CA GLN A 61 11.226 7.606 4.205 1.00 0.00 C ATOM 859 C GLN A 61 11.298 8.942 3.472 1.00 0.00 C ATOM 860 O GLN A 61 11.035 9.019 2.273 1.00 0.00 O ATOM 861 CB GLN A 61 11.788 6.494 3.318 1.00 0.00 C ATOM 862 CG GLN A 61 12.282 5.286 4.097 1.00 0.00 C ATOM 863 CD GLN A 61 13.702 5.458 4.600 1.00 0.00 C ATOM 864 OE1 GLN A 61 13.993 6.370 5.374 1.00 0.00 O ATOM 865 NE2 GLN A 61 14.596 4.578 4.163 1.00 0.00 N ATOM 0 H GLN A 61 9.232 7.088 3.814 1.00 0.00 H new ATOM 0 HA GLN A 61 11.827 7.677 5.112 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.016 6.174 2.618 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.610 6.894 2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.619 5.109 4.944 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.230 4.402 3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.311 3.837 3.522 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.567 4.643 4.469 1.00 0.00 H new ATOM 874 N GLY A 62 11.655 9.994 4.203 1.00 0.00 N ATOM 875 CA GLY A 62 11.755 11.313 3.606 1.00 0.00 C ATOM 876 C GLY A 62 10.477 11.730 2.905 1.00 0.00 C ATOM 877 O GLY A 62 9.441 11.910 3.545 1.00 0.00 O ATOM 0 H GLY A 62 11.877 9.956 5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.996 12.042 4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.578 11.324 2.891 1.00 0.00 H new ATOM 881 N ARG A 63 10.551 11.886 1.587 1.00 0.00 N ATOM 882 CA ARG A 63 9.391 12.287 0.800 1.00 0.00 C ATOM 883 C ARG A 63 8.718 11.073 0.166 1.00 0.00 C ATOM 884 O ARG A 63 8.078 11.181 -0.881 1.00 0.00 O ATOM 885 CB ARG A 63 9.806 13.280 -0.288 1.00 0.00 C ATOM 886 CG ARG A 63 10.546 12.636 -1.450 1.00 0.00 C ATOM 887 CD ARG A 63 11.314 13.668 -2.260 1.00 0.00 C ATOM 888 NE ARG A 63 11.650 13.176 -3.594 1.00 0.00 N ATOM 889 CZ ARG A 63 12.241 13.919 -4.524 1.00 0.00 C ATOM 890 NH1 ARG A 63 12.560 15.180 -4.266 1.00 0.00 N ATOM 891 NH2 ARG A 63 12.515 13.400 -5.714 1.00 0.00 N ATOM 0 H ARG A 63 11.401 11.741 1.042 1.00 0.00 H new ATOM 0 HA ARG A 63 8.677 12.768 1.469 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.916 13.782 -0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.440 14.048 0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.236 11.882 -1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.835 12.121 -2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.718 14.577 -2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.229 13.936 -1.731 1.00 0.00 H new ATOM 0 HE ARG A 63 11.418 12.210 -3.824 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.352 15.582 -3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.014 15.748 -4.982 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.272 12.430 -5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.969 13.971 -6.427 1.00 0.00 H new ATOM 905 N LYS A 64 8.867 9.919 0.806 1.00 0.00 N ATOM 906 CA LYS A 64 8.274 8.684 0.307 1.00 0.00 C ATOM 907 C LYS A 64 7.576 7.923 1.430 1.00 0.00 C ATOM 908 O LYS A 64 8.039 7.918 2.570 1.00 0.00 O ATOM 909 CB LYS A 64 9.347 7.800 -0.333 1.00 0.00 C ATOM 910 CG LYS A 64 8.802 6.511 -0.922 1.00 0.00 C ATOM 911 CD LYS A 64 9.918 5.537 -1.262 1.00 0.00 C ATOM 912 CE LYS A 64 10.536 5.849 -2.616 1.00 0.00 C ATOM 913 NZ LYS A 64 9.684 5.368 -3.739 1.00 0.00 N ATOM 0 H LYS A 64 9.394 9.813 1.673 1.00 0.00 H new ATOM 0 HA LYS A 64 7.532 8.946 -0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.850 8.364 -1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.100 7.557 0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.117 6.047 -0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.227 6.735 -1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.687 5.580 -0.491 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.526 4.520 -1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.685 6.925 -2.708 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.520 5.384 -2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.941 5.874 -4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.832 4.348 -3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.684 5.546 -3.517 1.00 0.00 H new ATOM 927 N TYR A 65 6.462 7.280 1.099 1.00 0.00 N ATOM 928 CA TYR A 65 5.700 6.516 2.080 1.00 0.00 C ATOM 929 C TYR A 65 5.435 5.099 1.580 1.00 0.00 C ATOM 930 O TYR A 65 4.844 4.904 0.518 1.00 0.00 O ATOM 931 CB TYR A 65 4.375 7.217 2.386 1.00 0.00 C ATOM 932 CG TYR A 65 4.533 8.479 3.203 1.00 0.00 C ATOM 933 CD1 TYR A 65 4.912 9.675 2.605 1.00 0.00 C ATOM 934 CD2 TYR A 65 4.304 8.476 4.573 1.00 0.00 C ATOM 935 CE1 TYR A 65 5.057 10.831 3.348 1.00 0.00 C ATOM 936 CE2 TYR A 65 4.445 9.628 5.324 1.00 0.00 C ATOM 937 CZ TYR A 65 4.823 10.802 4.707 1.00 0.00 C ATOM 938 OH TYR A 65 4.966 11.950 5.451 1.00 0.00 O ATOM 0 H TYR A 65 6.066 7.272 0.159 1.00 0.00 H new ATOM 0 HA TYR A 65 6.291 6.455 2.994 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.878 7.462 1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.723 6.527 2.922 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.096 9.701 1.541 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.011 7.558 5.060 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.352 11.752 2.867 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.260 9.609 6.388 1.00 0.00 H new ATOM 0 HH TYR A 65 4.763 11.758 6.390 1.00 0.00 H new ATOM 948 N ILE A 66 5.877 4.114 2.355 1.00 0.00 N ATOM 949 CA ILE A 66 5.687 2.715 1.993 1.00 0.00 C ATOM 950 C ILE A 66 4.900 1.972 3.067 1.00 0.00 C ATOM 951 O ILE A 66 5.041 2.248 4.259 1.00 0.00 O ATOM 952 CB ILE A 66 7.034 2.002 1.774 1.00 0.00 C ATOM 953 CG1 ILE A 66 7.942 2.845 0.877 1.00 0.00 C ATOM 954 CG2 ILE A 66 6.812 0.625 1.167 1.00 0.00 C ATOM 955 CD1 ILE A 66 8.728 3.896 1.630 1.00 0.00 C ATOM 0 H ILE A 66 6.369 4.259 3.237 1.00 0.00 H new ATOM 0 HA ILE A 66 5.124 2.704 1.060 1.00 0.00 H new ATOM 0 HB ILE A 66 7.523 1.877 2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.637 2.187 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.334 3.334 0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.774 0.134 1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.198 0.026 1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.305 0.728 0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.350 4.455 0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.039 4.578 2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.362 3.413 2.373 1.00 0.00 H new ATOM 967 N LEU A 67 4.071 1.026 2.638 1.00 0.00 N ATOM 968 CA LEU A 67 3.262 0.240 3.563 1.00 0.00 C ATOM 969 C LEU A 67 3.513 -1.252 3.373 1.00 0.00 C ATOM 970 O LEU A 67 2.960 -1.875 2.466 1.00 0.00 O ATOM 971 CB LEU A 67 1.777 0.549 3.361 1.00 0.00 C ATOM 972 CG LEU A 67 0.795 -0.453 3.969 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.657 -0.225 5.466 1.00 0.00 C ATOM 974 CD2 LEU A 67 -0.561 -0.352 3.285 1.00 0.00 C ATOM 0 H LEU A 67 3.942 0.785 1.655 1.00 0.00 H new ATOM 0 HA LEU A 67 3.549 0.511 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.570 1.532 3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.582 0.615 2.291 1.00 0.00 H new ATOM 0 HG LEU A 67 1.186 -1.458 3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.046 -0.947 5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.629 -0.349 5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.289 0.785 5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.248 -1.072 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.959 0.655 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.449 -0.566 2.222 1.00 0.00 H new ATOM 986 N VAL A 68 4.349 -1.821 4.235 1.00 0.00 N ATOM 987 CA VAL A 68 4.671 -3.241 4.165 1.00 0.00 C ATOM 988 C VAL A 68 3.455 -4.098 4.501 1.00 0.00 C ATOM 989 O VAL A 68 3.141 -4.318 5.671 1.00 0.00 O ATOM 990 CB VAL A 68 5.821 -3.605 5.122 1.00 0.00 C ATOM 991 CG1 VAL A 68 6.123 -5.094 5.054 1.00 0.00 C ATOM 992 CG2 VAL A 68 7.061 -2.785 4.799 1.00 0.00 C ATOM 0 H VAL A 68 4.816 -1.320 4.991 1.00 0.00 H new ATOM 0 HA VAL A 68 4.983 -3.443 3.141 1.00 0.00 H new ATOM 0 HB VAL A 68 5.512 -3.369 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.938 -5.331 5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.235 -5.659 5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.412 -5.361 4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.864 -3.055 5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.375 -2.988 3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.834 -1.724 4.906 1.00 0.00 H new ATOM 1002 N VAL A 69 2.773 -4.579 3.467 1.00 0.00 N ATOM 1003 CA VAL A 69 1.591 -5.413 3.652 1.00 0.00 C ATOM 1004 C VAL A 69 1.979 -6.853 3.969 1.00 0.00 C ATOM 1005 O VAL A 69 2.626 -7.524 3.164 1.00 0.00 O ATOM 1006 CB VAL A 69 0.692 -5.399 2.401 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.501 -6.322 2.590 1.00 0.00 C ATOM 1008 CG2 VAL A 69 0.236 -3.981 2.090 1.00 0.00 C ATOM 0 H VAL A 69 3.018 -4.406 2.492 1.00 0.00 H new ATOM 0 HA VAL A 69 1.037 -4.995 4.493 1.00 0.00 H new ATOM 0 HB VAL A 69 1.272 -5.764 1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.124 -6.299 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.150 -7.340 2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.085 -5.990 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.398 -3.989 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.327 -3.586 2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.106 -3.351 1.908 1.00 0.00 H new ATOM 1018 N ARG A 70 1.579 -7.323 5.146 1.00 0.00 N ATOM 1019 CA ARG A 70 1.885 -8.683 5.570 1.00 0.00 C ATOM 1020 C ARG A 70 0.606 -9.475 5.822 1.00 0.00 C ATOM 1021 O ARG A 70 -0.425 -8.908 6.181 1.00 0.00 O ATOM 1022 CB ARG A 70 2.744 -8.665 6.836 1.00 0.00 C ATOM 1023 CG ARG A 70 4.231 -8.512 6.561 1.00 0.00 C ATOM 1024 CD ARG A 70 5.035 -8.483 7.852 1.00 0.00 C ATOM 1025 NE ARG A 70 6.472 -8.578 7.603 1.00 0.00 N ATOM 1026 CZ ARG A 70 7.090 -9.711 7.291 1.00 0.00 C ATOM 1027 NH1 ARG A 70 6.402 -10.840 7.188 1.00 0.00 N ATOM 1028 NH2 ARG A 70 8.400 -9.716 7.079 1.00 0.00 N ATOM 0 H ARG A 70 1.042 -6.781 5.823 1.00 0.00 H new ATOM 0 HA ARG A 70 2.441 -9.169 4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.415 -7.846 7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.579 -9.589 7.390 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.574 -9.337 5.936 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.406 -7.593 6.001 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.821 -7.561 8.392 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.723 -9.308 8.493 1.00 0.00 H new ATOM 0 HE ARG A 70 7.031 -7.727 7.673 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.395 -10.840 7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.880 -11.708 6.948 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.932 -8.849 7.156 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.875 -10.587 6.839 1.00 0.00 H new ATOM 1042 N GLU A 71 0.681 -10.789 5.630 1.00 0.00 N ATOM 1043 CA GLU A 71 -0.472 -11.658 5.835 1.00 0.00 C ATOM 1044 C GLU A 71 -1.586 -11.324 4.848 1.00 0.00 C ATOM 1045 O GLU A 71 -2.745 -11.171 5.233 1.00 0.00 O ATOM 1046 CB GLU A 71 -0.989 -11.526 7.269 1.00 0.00 C ATOM 1047 CG GLU A 71 0.113 -11.525 8.316 1.00 0.00 C ATOM 1048 CD GLU A 71 0.775 -12.880 8.467 1.00 0.00 C ATOM 1049 OE1 GLU A 71 0.091 -13.828 8.906 1.00 0.00 O ATOM 1050 OE2 GLU A 71 1.977 -12.993 8.147 1.00 0.00 O ATOM 0 H GLU A 71 1.528 -11.274 5.333 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.155 -12.687 5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.562 -10.603 7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.675 -12.348 7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.866 -10.785 8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.303 -11.219 9.276 1.00 0.00 H new ATOM 1057 N ALA A 72 -1.227 -11.213 3.573 1.00 0.00 N ATOM 1058 CA ALA A 72 -2.195 -10.900 2.531 1.00 0.00 C ATOM 1059 C ALA A 72 -3.382 -11.857 2.578 1.00 0.00 C ATOM 1060 O ALA A 72 -3.293 -12.942 3.152 1.00 0.00 O ATOM 1061 CB ALA A 72 -1.532 -10.946 1.162 1.00 0.00 C ATOM 0 H ALA A 72 -0.272 -11.336 3.238 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.568 -9.891 2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.268 -10.710 0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.722 -10.217 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.130 -11.944 0.986 1.00 0.00 H new ATOM 1067 N ALA A 73 -4.491 -11.447 1.971 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.694 -12.269 1.943 1.00 0.00 C ATOM 1069 C ALA A 73 -6.518 -11.994 0.689 1.00 0.00 C ATOM 1070 O ALA A 73 -6.498 -10.896 0.133 1.00 0.00 O ATOM 1071 CB ALA A 73 -6.530 -12.025 3.190 1.00 0.00 C ATOM 0 H ALA A 73 -4.581 -10.551 1.492 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.388 -13.315 1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.425 -12.646 3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.946 -12.279 4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.818 -10.975 3.235 1.00 0.00 H new ATOM 1077 N PRO A 74 -7.260 -13.014 0.232 1.00 0.00 N ATOM 1078 CA PRO A 74 -8.104 -12.905 -0.961 1.00 0.00 C ATOM 1079 C PRO A 74 -9.311 -12.000 -0.737 1.00 0.00 C ATOM 1080 O PRO A 74 -9.940 -11.541 -1.691 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.556 -14.347 -1.208 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.482 -15.001 0.128 1.00 0.00 C ATOM 1083 CD PRO A 74 -7.331 -14.351 0.844 1.00 0.00 C ATOM 0 HA PRO A 74 -7.568 -12.461 -1.800 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.569 -14.381 -1.610 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.910 -14.846 -1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.412 -14.866 0.681 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.323 -16.075 0.029 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.507 -14.292 1.918 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.404 -14.907 0.703 1.00 0.00 H new ATOM 1091 N SER A 75 -9.627 -11.746 0.528 1.00 0.00 N ATOM 1092 CA SER A 75 -10.761 -10.897 0.877 1.00 0.00 C ATOM 1093 C SER A 75 -10.373 -9.423 0.823 1.00 0.00 C ATOM 1094 O SER A 75 -11.080 -8.605 0.236 1.00 0.00 O ATOM 1095 CB SER A 75 -11.278 -11.250 2.274 1.00 0.00 C ATOM 1096 OG SER A 75 -10.234 -11.202 3.231 1.00 0.00 O ATOM 0 H SER A 75 -9.114 -12.115 1.329 1.00 0.00 H new ATOM 0 HA SER A 75 -11.553 -11.073 0.149 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.069 -10.556 2.559 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.718 -12.247 2.261 1.00 0.00 H new ATOM 0 HG SER A 75 -10.590 -11.430 4.115 1.00 0.00 H new ATOM 1102 N ASP A 76 -9.244 -9.092 1.440 1.00 0.00 N ATOM 1103 CA ASP A 76 -8.759 -7.717 1.462 1.00 0.00 C ATOM 1104 C ASP A 76 -8.705 -7.137 0.052 1.00 0.00 C ATOM 1105 O ASP A 76 -9.022 -5.967 -0.161 1.00 0.00 O ATOM 1106 CB ASP A 76 -7.374 -7.652 2.107 1.00 0.00 C ATOM 1107 CG ASP A 76 -7.438 -7.699 3.621 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -8.291 -8.438 4.156 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -6.635 -6.996 4.272 1.00 0.00 O ATOM 0 H ASP A 76 -8.647 -9.757 1.932 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.455 -7.122 2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.769 -8.483 1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.874 -6.735 1.796 1.00 0.00 H new ATOM 1114 N ALA A 77 -8.300 -7.963 -0.907 1.00 0.00 N ATOM 1115 CA ALA A 77 -8.205 -7.533 -2.296 1.00 0.00 C ATOM 1116 C ALA A 77 -9.432 -6.725 -2.706 1.00 0.00 C ATOM 1117 O ALA A 77 -10.565 -7.184 -2.564 1.00 0.00 O ATOM 1118 CB ALA A 77 -8.034 -8.736 -3.211 1.00 0.00 C ATOM 0 H ALA A 77 -8.032 -8.934 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.330 -6.890 -2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.964 -8.399 -4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.124 -9.271 -2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.891 -9.400 -3.103 1.00 0.00 H new ATOM 1124 N GLY A 78 -9.199 -5.519 -3.214 1.00 0.00 N ATOM 1125 CA GLY A 78 -10.295 -4.666 -3.636 1.00 0.00 C ATOM 1126 C GLY A 78 -9.815 -3.375 -4.268 1.00 0.00 C ATOM 1127 O GLY A 78 -9.984 -3.165 -5.468 1.00 0.00 O ATOM 0 H GLY A 78 -8.270 -5.117 -3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.918 -5.206 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.923 -4.434 -2.776 1.00 0.00 H new ATOM 1131 N GLU A 79 -9.217 -2.508 -3.457 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.714 -1.229 -3.945 1.00 0.00 C ATOM 1133 C GLU A 79 -7.919 -0.507 -2.861 1.00 0.00 C ATOM 1134 O GLU A 79 -8.457 -0.156 -1.811 1.00 0.00 O ATOM 1135 CB GLU A 79 -9.871 -0.347 -4.416 1.00 0.00 C ATOM 1136 CG GLU A 79 -9.431 0.830 -5.272 1.00 0.00 C ATOM 1137 CD GLU A 79 -10.575 1.437 -6.061 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -10.825 0.977 -7.194 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -11.219 2.374 -5.544 1.00 0.00 O ATOM 0 H GLU A 79 -9.069 -2.668 -2.460 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.051 -1.427 -4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.573 -0.957 -4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.408 0.029 -3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.990 1.595 -4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.653 0.502 -5.961 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.634 -0.290 -3.123 1.00 0.00 N ATOM 1147 CA VAL A 80 -5.763 0.389 -2.171 1.00 0.00 C ATOM 1148 C VAL A 80 -5.837 1.902 -2.342 1.00 0.00 C ATOM 1149 O VAL A 80 -5.576 2.429 -3.423 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.299 -0.063 -2.326 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.426 0.579 -1.259 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.202 -1.580 -2.265 1.00 0.00 C ATOM 0 H VAL A 80 -6.173 -0.575 -3.987 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.114 0.120 -1.175 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.937 0.263 -3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.395 0.248 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.473 1.664 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.783 0.286 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.161 -1.883 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.581 -1.931 -1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.794 -2.015 -3.070 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.194 2.597 -1.267 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.301 4.051 -1.297 1.00 0.00 C ATOM 1164 C VAL A 81 -5.357 4.693 -0.286 1.00 0.00 C ATOM 1165 O VAL A 81 -5.451 4.439 0.915 1.00 0.00 O ATOM 1166 CB VAL A 81 -7.740 4.514 -1.004 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -7.801 6.030 -0.890 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -8.690 4.014 -2.081 1.00 0.00 C ATOM 0 H VAL A 81 -6.414 2.177 -0.364 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.023 4.368 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.052 4.089 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.826 6.338 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.152 6.360 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.469 6.479 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.702 4.350 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.382 4.408 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.668 2.925 -2.109 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.447 5.525 -0.780 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.484 6.204 0.080 1.00 0.00 C ATOM 1180 C PHE A 82 -3.832 7.682 0.225 1.00 0.00 C ATOM 1181 O PHE A 82 -3.743 8.449 -0.733 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.070 6.054 -0.485 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.042 6.864 0.251 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -0.867 6.710 1.617 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.250 7.781 -0.422 1.00 0.00 C ATOM 1186 CE1 PHE A 82 0.078 7.454 2.298 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.698 8.527 0.253 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.861 8.364 1.615 1.00 0.00 C ATOM 0 H PHE A 82 -4.356 5.746 -1.772 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.525 5.741 1.066 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.784 5.003 -0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.073 6.351 -1.534 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.477 6.000 2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.375 7.914 -1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.204 7.324 3.363 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.310 9.236 -0.284 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.600 8.947 2.145 1.00 0.00 H new ATOM 1198 N SER A 83 -4.230 8.074 1.432 1.00 0.00 N ATOM 1199 CA SER A 83 -4.596 9.459 1.703 1.00 0.00 C ATOM 1200 C SER A 83 -3.576 10.120 2.626 1.00 0.00 C ATOM 1201 O SER A 83 -3.254 9.593 3.691 1.00 0.00 O ATOM 1202 CB SER A 83 -5.989 9.527 2.332 1.00 0.00 C ATOM 1203 OG SER A 83 -6.162 10.730 3.060 1.00 0.00 O ATOM 0 H SER A 83 -4.307 7.452 2.237 1.00 0.00 H new ATOM 0 HA SER A 83 -4.606 9.998 0.756 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.747 9.458 1.552 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.134 8.674 2.994 1.00 0.00 H new ATOM 0 HG SER A 83 -7.061 10.750 3.451 1.00 0.00 H new ATOM 1209 N VAL A 84 -3.073 11.277 2.210 1.00 0.00 N ATOM 1210 CA VAL A 84 -2.090 12.011 2.998 1.00 0.00 C ATOM 1211 C VAL A 84 -2.295 13.517 2.867 1.00 0.00 C ATOM 1212 O VAL A 84 -2.616 14.018 1.790 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.653 11.661 2.572 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.480 11.844 1.072 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.352 12.507 3.340 1.00 0.00 C ATOM 0 H VAL A 84 -3.330 11.727 1.331 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.234 11.716 4.037 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.468 10.613 2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.542 11.592 0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.174 11.191 0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.684 12.881 0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.363 12.246 3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.170 13.562 3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.244 12.320 4.408 1.00 0.00 H new ATOM 1225 N ARG A 85 -2.106 14.232 3.971 1.00 0.00 N ATOM 1226 CA ARG A 85 -2.271 15.681 3.980 1.00 0.00 C ATOM 1227 C ARG A 85 -3.416 16.104 3.064 1.00 0.00 C ATOM 1228 O ARG A 85 -3.398 17.193 2.493 1.00 0.00 O ATOM 1229 CB ARG A 85 -0.974 16.365 3.542 1.00 0.00 C ATOM 1230 CG ARG A 85 -0.687 16.231 2.056 1.00 0.00 C ATOM 1231 CD ARG A 85 0.680 16.795 1.700 1.00 0.00 C ATOM 1232 NE ARG A 85 0.629 18.232 1.442 1.00 0.00 N ATOM 1233 CZ ARG A 85 0.702 19.152 2.397 1.00 0.00 C ATOM 1234 NH1 ARG A 85 0.829 18.788 3.666 1.00 0.00 N ATOM 1235 NH2 ARG A 85 0.649 20.441 2.084 1.00 0.00 N ATOM 0 H ARG A 85 -1.839 13.832 4.870 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.511 15.988 4.998 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.026 17.423 3.799 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.142 15.941 4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.735 15.181 1.768 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.457 16.753 1.487 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.377 16.597 2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.066 16.282 0.819 1.00 0.00 H new ATOM 0 HE ARG A 85 0.532 18.546 0.476 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.871 17.799 3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.885 19.497 4.397 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.552 20.726 1.109 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.705 21.147 2.818 1.00 0.00 H new ATOM 1249 N GLY A 86 -4.411 15.232 2.928 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.550 15.533 2.081 1.00 0.00 C ATOM 1251 C GLY A 86 -5.554 14.716 0.804 1.00 0.00 C ATOM 1252 O GLY A 86 -6.561 14.098 0.457 1.00 0.00 O ATOM 0 H GLY A 86 -4.448 14.323 3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.470 15.343 2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.542 16.594 1.830 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.426 14.713 0.102 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.304 13.967 -1.146 1.00 0.00 C ATOM 1258 C LEU A 87 -4.862 12.555 -0.993 1.00 0.00 C ATOM 1259 O LEU A 87 -5.036 12.062 0.122 1.00 0.00 O ATOM 1260 CB LEU A 87 -2.840 13.903 -1.583 1.00 0.00 C ATOM 1261 CG LEU A 87 -2.143 15.248 -1.793 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -0.639 15.104 -1.617 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -2.469 15.809 -3.170 1.00 0.00 C ATOM 0 H LEU A 87 -3.583 15.218 0.375 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.883 14.487 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.282 13.340 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.784 13.338 -2.513 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.511 15.947 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.160 16.071 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.423 14.748 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.254 14.390 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.964 16.766 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.130 15.112 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.546 15.951 -3.259 1.00 0.00 H new ATOM 1275 N THR A 88 -5.139 11.909 -2.121 1.00 0.00 N ATOM 1276 CA THR A 88 -5.677 10.554 -2.113 1.00 0.00 C ATOM 1277 C THR A 88 -5.246 9.785 -3.357 1.00 0.00 C ATOM 1278 O THR A 88 -5.322 10.298 -4.473 1.00 0.00 O ATOM 1279 CB THR A 88 -7.215 10.560 -2.034 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.654 11.569 -1.118 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.740 9.203 -1.592 1.00 0.00 C ATOM 0 H THR A 88 -5.000 12.302 -3.052 1.00 0.00 H new ATOM 0 HA THR A 88 -5.278 10.060 -1.227 1.00 0.00 H new ATOM 0 HB THR A 88 -7.607 10.776 -3.028 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.633 11.568 -1.074 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.829 9.232 -1.544 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.429 8.442 -2.307 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.339 8.961 -0.608 1.00 0.00 H new ATOM 1289 N SER A 89 -4.795 8.551 -3.157 1.00 0.00 N ATOM 1290 CA SER A 89 -4.349 7.711 -4.263 1.00 0.00 C ATOM 1291 C SER A 89 -5.233 6.475 -4.397 1.00 0.00 C ATOM 1292 O SER A 89 -6.099 6.223 -3.559 1.00 0.00 O ATOM 1293 CB SER A 89 -2.892 7.291 -4.057 1.00 0.00 C ATOM 1294 OG SER A 89 -2.241 7.083 -5.298 1.00 0.00 O ATOM 0 H SER A 89 -4.729 8.110 -2.239 1.00 0.00 H new ATOM 0 HA SER A 89 -4.425 8.292 -5.182 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.365 8.059 -3.491 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.854 6.377 -3.465 1.00 0.00 H new ATOM 0 HG SER A 89 -1.311 6.817 -5.139 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.007 5.707 -5.457 1.00 0.00 N ATOM 1301 CA LYS A 90 -5.781 4.495 -5.703 1.00 0.00 C ATOM 1302 C LYS A 90 -4.927 3.435 -6.391 1.00 0.00 C ATOM 1303 O LYS A 90 -4.033 3.756 -7.173 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.007 4.814 -6.562 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.000 5.742 -5.884 1.00 0.00 C ATOM 1306 CD LYS A 90 -7.669 7.201 -6.148 1.00 0.00 C ATOM 1307 CE LYS A 90 -8.240 8.106 -5.067 1.00 0.00 C ATOM 1308 NZ LYS A 90 -9.639 8.517 -5.369 1.00 0.00 N ATOM 0 H LYS A 90 -4.294 5.902 -6.160 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.111 4.103 -4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.677 5.268 -7.496 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.511 3.883 -6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.006 5.525 -6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.998 5.556 -4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.587 7.327 -6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.067 7.496 -7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.213 7.588 -4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.614 8.993 -4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.992 9.133 -4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.662 9.033 -6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.242 7.672 -5.438 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.210 2.170 -6.095 1.00 0.00 N ATOM 1323 CA ALA A 91 -4.470 1.063 -6.687 1.00 0.00 C ATOM 1324 C ALA A 91 -5.231 -0.249 -6.535 1.00 0.00 C ATOM 1325 O ALA A 91 -6.217 -0.325 -5.802 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.090 0.952 -6.055 1.00 0.00 C ATOM 0 H ALA A 91 -5.947 1.887 -5.449 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.354 1.264 -7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.549 0.121 -6.507 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.538 1.877 -6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.193 0.778 -4.984 1.00 0.00 H new ATOM 1332 N SER A 92 -4.768 -1.281 -7.234 1.00 0.00 N ATOM 1333 CA SER A 92 -5.408 -2.590 -7.180 1.00 0.00 C ATOM 1334 C SER A 92 -4.481 -3.623 -6.546 1.00 0.00 C ATOM 1335 O SER A 92 -3.277 -3.636 -6.805 1.00 0.00 O ATOM 1336 CB SER A 92 -5.810 -3.043 -8.585 1.00 0.00 C ATOM 1337 OG SER A 92 -6.644 -2.084 -9.211 1.00 0.00 O ATOM 0 H SER A 92 -3.952 -1.236 -7.844 1.00 0.00 H new ATOM 0 HA SER A 92 -6.303 -2.504 -6.564 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.917 -3.202 -9.189 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.330 -3.999 -8.527 1.00 0.00 H new ATOM 0 HG SER A 92 -6.885 -2.396 -10.108 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.051 -4.487 -5.713 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.277 -5.524 -5.040 1.00 0.00 C ATOM 1345 C LEU A 93 -4.798 -6.912 -5.399 1.00 0.00 C ATOM 1346 O LEU A 93 -5.680 -7.448 -4.727 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.329 -5.324 -3.524 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.816 -6.489 -2.676 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.358 -6.780 -2.995 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -3.989 -6.186 -1.194 1.00 0.00 C ATOM 0 H LEU A 93 -6.046 -4.490 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.243 -5.446 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.749 -4.436 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.361 -5.120 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.403 -7.375 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.010 -7.612 -2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.261 -7.041 -4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.756 -5.897 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.619 -7.025 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.427 -5.288 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.045 -6.028 -0.976 1.00 0.00 H new ATOM 1362 N ILE A 94 -4.246 -7.489 -6.461 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.654 -8.815 -6.908 1.00 0.00 C ATOM 1364 C ILE A 94 -4.099 -9.899 -5.989 1.00 0.00 C ATOM 1365 O ILE A 94 -2.885 -10.044 -5.845 1.00 0.00 O ATOM 1366 CB ILE A 94 -4.187 -9.092 -8.349 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -4.534 -7.910 -9.257 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.819 -10.373 -8.873 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -3.570 -7.729 -10.408 1.00 0.00 C ATOM 0 H ILE A 94 -3.515 -7.059 -7.028 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.743 -8.837 -6.877 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.104 -9.218 -8.347 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.539 -8.050 -9.654 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.551 -6.997 -8.661 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.480 -10.556 -9.893 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.527 -11.209 -8.238 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.904 -10.273 -8.864 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.878 -6.873 -11.009 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.567 -7.557 -10.019 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.570 -8.626 -11.027 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.997 -10.658 -5.370 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.599 -11.731 -4.466 1.00 0.00 C ATOM 1383 C VAL A 95 -5.265 -13.048 -4.849 1.00 0.00 C ATOM 1384 O VAL A 95 -6.459 -13.240 -4.622 1.00 0.00 O ATOM 1385 CB VAL A 95 -4.952 -11.396 -3.005 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -4.608 -12.561 -2.091 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -4.235 -10.129 -2.562 1.00 0.00 C ATOM 0 H VAL A 95 -6.006 -10.550 -5.478 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.518 -11.834 -4.555 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.026 -11.221 -2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.865 -12.305 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.172 -13.442 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.541 -12.772 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.495 -9.906 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.158 -10.274 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.538 -9.298 -3.199 1.00 0.00 H new ATOM 1397 N ARG A 96 -4.484 -13.952 -5.432 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.998 -15.251 -5.848 1.00 0.00 C ATOM 1399 C ARG A 96 -4.962 -16.246 -4.691 1.00 0.00 C ATOM 1400 O ARG A 96 -4.093 -16.171 -3.823 1.00 0.00 O ATOM 1401 CB ARG A 96 -4.186 -15.793 -7.025 1.00 0.00 C ATOM 1402 CG ARG A 96 -4.171 -14.868 -8.231 1.00 0.00 C ATOM 1403 CD ARG A 96 -5.450 -14.994 -9.045 1.00 0.00 C ATOM 1404 NE ARG A 96 -5.419 -16.148 -9.938 1.00 0.00 N ATOM 1405 CZ ARG A 96 -4.786 -16.157 -11.106 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -4.135 -15.079 -11.519 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -4.804 -17.247 -11.864 1.00 0.00 N ATOM 0 H ARG A 96 -3.493 -13.808 -5.627 1.00 0.00 H new ATOM 0 HA ARG A 96 -6.034 -15.120 -6.161 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.161 -15.967 -6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -4.594 -16.759 -7.323 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.050 -13.837 -7.899 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.313 -15.103 -8.861 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.302 -15.081 -8.370 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.598 -14.087 -9.630 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.910 -16.994 -9.650 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.119 -14.240 -10.940 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.650 -15.089 -12.416 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.304 -18.079 -11.550 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.318 -17.253 -12.761 1.00 0.00 H new ATOM 1421 N GLU A 97 -5.913 -17.175 -4.686 1.00 0.00 N ATOM 1422 CA GLU A 97 -5.990 -18.183 -3.635 1.00 0.00 C ATOM 1423 C GLU A 97 -5.185 -19.424 -4.011 1.00 0.00 C ATOM 1424 O GLU A 97 -5.190 -19.854 -5.164 1.00 0.00 O ATOM 1425 CB GLU A 97 -7.447 -18.567 -3.371 1.00 0.00 C ATOM 1426 CG GLU A 97 -7.620 -19.994 -2.877 1.00 0.00 C ATOM 1427 CD GLU A 97 -8.855 -20.166 -2.014 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -9.936 -19.693 -2.424 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -8.741 -20.773 -0.929 1.00 0.00 O ATOM 0 H GLU A 97 -6.640 -17.250 -5.397 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.564 -17.757 -2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.866 -17.883 -2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.020 -18.437 -4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.683 -20.666 -3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.739 -20.286 -2.306 1.00 0.00 H new ATOM 1436 N ARG A 98 -4.493 -19.993 -3.029 1.00 0.00 N ATOM 1437 CA ARG A 98 -3.682 -21.183 -3.257 1.00 0.00 C ATOM 1438 C ARG A 98 -4.506 -22.451 -3.049 1.00 0.00 C ATOM 1439 O ARG A 98 -4.719 -22.886 -1.917 1.00 0.00 O ATOM 1440 CB ARG A 98 -2.473 -21.189 -2.320 1.00 0.00 C ATOM 1441 CG ARG A 98 -1.302 -22.005 -2.842 1.00 0.00 C ATOM 1442 CD ARG A 98 -0.156 -22.038 -1.842 1.00 0.00 C ATOM 1443 NE ARG A 98 1.120 -22.348 -2.482 1.00 0.00 N ATOM 1444 CZ ARG A 98 1.464 -23.566 -2.883 1.00 0.00 C ATOM 1445 NH1 ARG A 98 0.631 -24.584 -2.712 1.00 0.00 N ATOM 1446 NH2 ARG A 98 2.643 -23.769 -3.457 1.00 0.00 N ATOM 0 H ARG A 98 -4.478 -19.649 -2.069 1.00 0.00 H new ATOM 0 HA ARG A 98 -3.333 -21.162 -4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.145 -20.162 -2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.777 -21.584 -1.351 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.631 -23.022 -3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.953 -21.581 -3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.085 -21.073 -1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.366 -22.782 -1.074 1.00 0.00 H new ATOM 0 HE ARG A 98 1.783 -21.587 -2.629 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.276 -24.432 -2.272 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.898 -25.519 -3.021 1.00 0.00 H new ATOM 0 HH21 ARG A 98 3.286 -22.989 -3.591 1.00 0.00 H new ATOM 0 HH22 ARG A 98 2.906 -24.705 -3.765 1.00 0.00 H new