USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 642 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 65 HIS : no HD1:sc= -0.872 K(o=-1.2,f=-5.3!) USER MOD Set 1.2: B 95 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 8 GLN : amide:sc=-0.00215 X(o=-0.0021,f=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.845 USER MOD Single : A 14 GLN : amide:sc= -0.0309 K(o=-0.031,f=-1.5!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0659 X(o=-0.066,f=-0.16) USER MOD Single : A 23 THR OG1 : rot 175:sc= 0.526 USER MOD Single : A 25 SER OG : rot -111:sc= 0.428 USER MOD Single : A 28 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.7) USER MOD Single : A 33 GLN : amide:sc= -0.222 K(o=-0.22,f=-2.5!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc=-0.00076 (180deg=-0.00076) USER MOD Single : A 42 MET CE :methyl -153:sc= 0 (180deg=-0.241) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -3.07! C(o=-3.1!,f=-9.2!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -173:sc= -2.58! USER MOD Single : A 62 HIS : no HD1:sc= -0.0968 X(o=-0.097,f=-0.52) USER MOD Single : A 63 SER OG : rot 180:sc= 0.00757 USER MOD Single : A 64 ASN : amide:sc= -0.0558 K(o=-0.056,f=-0.6) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 7 8.650 4.356 -14.995 1.00 0.00 N ATOM 83 CA VAL A 7 8.093 3.036 -15.284 1.00 0.00 C ATOM 84 C VAL A 7 7.052 2.617 -14.244 1.00 0.00 C ATOM 85 O VAL A 7 7.265 2.768 -13.038 1.00 0.00 O ATOM 86 CB VAL A 7 9.200 1.960 -15.352 1.00 0.00 C ATOM 87 CG1 VAL A 7 10.190 2.275 -16.464 1.00 0.00 C ATOM 88 CG2 VAL A 7 9.915 1.831 -14.013 1.00 0.00 C ATOM 0 HA VAL A 7 7.606 3.114 -16.256 1.00 0.00 H new ATOM 0 HB VAL A 7 8.728 1.003 -15.577 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.961 1.505 -16.494 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.667 2.302 -17.420 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.652 3.244 -16.276 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.690 1.068 -14.086 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.370 2.786 -13.750 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.197 1.547 -13.243 1.00 0.00 H new ATOM 98 N GLN A 8 5.930 2.077 -14.722 1.00 0.00 N ATOM 99 CA GLN A 8 4.854 1.621 -13.845 1.00 0.00 C ATOM 100 C GLN A 8 4.898 0.101 -13.683 1.00 0.00 C ATOM 101 O GLN A 8 5.093 -0.629 -14.656 1.00 0.00 O ATOM 102 CB GLN A 8 3.493 2.052 -14.404 1.00 0.00 C ATOM 103 CG GLN A 8 2.479 2.428 -13.333 1.00 0.00 C ATOM 104 CD GLN A 8 1.481 3.467 -13.811 1.00 0.00 C ATOM 105 OE1 GLN A 8 1.835 4.622 -14.042 1.00 0.00 O ATOM 106 NE2 GLN A 8 0.225 3.061 -13.964 1.00 0.00 N ATOM 0 H GLN A 8 5.744 1.945 -15.716 1.00 0.00 H new ATOM 0 HA GLN A 8 4.994 2.078 -12.865 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.637 2.903 -15.069 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.086 1.241 -15.008 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.943 1.534 -13.016 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.005 2.811 -12.458 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.027 2.094 -13.761 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.488 3.717 -14.284 1.00 0.00 H new ATOM 115 N ARG A 9 4.720 -0.365 -12.447 1.00 0.00 N ATOM 116 CA ARG A 9 4.746 -1.796 -12.152 1.00 0.00 C ATOM 117 C ARG A 9 3.654 -2.177 -11.153 1.00 0.00 C ATOM 118 O ARG A 9 3.487 -1.527 -10.122 1.00 0.00 O ATOM 119 CB ARG A 9 6.115 -2.190 -11.589 1.00 0.00 C ATOM 120 CG ARG A 9 6.631 -3.521 -12.111 1.00 0.00 C ATOM 121 CD ARG A 9 8.090 -3.741 -11.740 1.00 0.00 C ATOM 122 NE ARG A 9 8.265 -4.875 -10.833 1.00 0.00 N ATOM 123 CZ ARG A 9 8.040 -6.147 -11.172 1.00 0.00 C ATOM 124 NH1 ARG A 9 7.627 -6.458 -12.400 1.00 0.00 N ATOM 125 NH2 ARG A 9 8.227 -7.114 -10.280 1.00 0.00 N ATOM 0 H ARG A 9 4.556 0.229 -11.634 1.00 0.00 H new ATOM 0 HA ARG A 9 4.563 -2.333 -13.083 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.836 -1.410 -11.833 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.051 -2.236 -10.502 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.026 -4.331 -11.705 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.522 -3.554 -13.195 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.672 -3.910 -12.646 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.484 -2.839 -11.271 1.00 0.00 H new ATOM 0 HE ARG A 9 8.579 -4.682 -9.882 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.480 -5.722 -13.090 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.458 -7.432 -12.650 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.542 -6.884 -9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.055 -8.086 -10.538 1.00 0.00 H new ATOM 139 N CYS A 10 2.920 -3.247 -11.458 1.00 0.00 N ATOM 140 CA CYS A 10 1.855 -3.721 -10.581 1.00 0.00 C ATOM 141 C CYS A 10 2.375 -4.807 -9.641 1.00 0.00 C ATOM 142 O CYS A 10 2.830 -5.861 -10.090 1.00 0.00 O ATOM 143 CB CYS A 10 0.683 -4.257 -11.407 1.00 0.00 C ATOM 144 SG CYS A 10 -0.788 -4.651 -10.434 1.00 0.00 S ATOM 0 H CYS A 10 3.045 -3.800 -12.306 1.00 0.00 H new ATOM 0 HA CYS A 10 1.507 -2.880 -9.981 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.418 -3.518 -12.163 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.006 -5.153 -11.936 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.723 -5.094 -11.221 1.00 0.00 H new ATOM 150 N VAL A 11 2.309 -4.543 -8.338 1.00 0.00 N ATOM 151 CA VAL A 11 2.778 -5.497 -7.335 1.00 0.00 C ATOM 152 C VAL A 11 1.607 -6.105 -6.562 1.00 0.00 C ATOM 153 O VAL A 11 0.753 -5.388 -6.037 1.00 0.00 O ATOM 154 CB VAL A 11 3.766 -4.836 -6.348 1.00 0.00 C ATOM 155 CG1 VAL A 11 3.094 -3.718 -5.564 1.00 0.00 C ATOM 156 CG2 VAL A 11 4.361 -5.878 -5.411 1.00 0.00 C ATOM 0 H VAL A 11 1.935 -3.676 -7.952 1.00 0.00 H new ATOM 0 HA VAL A 11 3.299 -6.292 -7.868 1.00 0.00 H new ATOM 0 HB VAL A 11 4.577 -4.392 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.813 -3.272 -4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.731 -2.957 -6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.256 -4.124 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.055 -5.395 -4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.562 -6.356 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.893 -6.630 -5.994 1.00 0.00 H new ATOM 166 N ILE A 12 1.575 -7.435 -6.496 1.00 0.00 N ATOM 167 CA ILE A 12 0.512 -8.143 -5.791 1.00 0.00 C ATOM 168 C ILE A 12 0.976 -8.589 -4.406 1.00 0.00 C ATOM 169 O ILE A 12 1.818 -9.479 -4.283 1.00 0.00 O ATOM 170 CB ILE A 12 0.028 -9.376 -6.586 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.228 -9.006 -8.051 1.00 0.00 C ATOM 172 CG2 ILE A 12 -1.228 -9.959 -5.953 1.00 0.00 C ATOM 173 CD1 ILE A 12 0.910 -9.379 -8.977 1.00 0.00 C ATOM 0 H ILE A 12 2.274 -8.043 -6.923 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.318 -7.445 -5.686 1.00 0.00 H new ATOM 0 HB ILE A 12 0.811 -10.134 -6.557 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.138 -9.502 -8.389 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.405 -7.933 -8.121 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.555 -10.827 -6.526 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.012 -10.261 -4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.017 -9.207 -5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.659 -9.088 -9.997 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.818 -8.862 -8.665 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.074 -10.456 -8.937 1.00 0.00 H new ATOM 185 N ILE A 13 0.415 -7.969 -3.368 1.00 0.00 N ATOM 186 CA ILE A 13 0.771 -8.306 -1.988 1.00 0.00 C ATOM 187 C ILE A 13 -0.284 -9.214 -1.354 1.00 0.00 C ATOM 188 O ILE A 13 -1.484 -8.961 -1.472 1.00 0.00 O ATOM 189 CB ILE A 13 0.961 -7.045 -1.111 1.00 0.00 C ATOM 190 CG1 ILE A 13 -0.098 -5.986 -1.435 1.00 0.00 C ATOM 191 CG2 ILE A 13 2.359 -6.472 -1.303 1.00 0.00 C ATOM 192 CD1 ILE A 13 -0.368 -5.027 -0.297 1.00 0.00 C ATOM 0 H ILE A 13 -0.286 -7.233 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 13 1.722 -8.836 -2.034 1.00 0.00 H new ATOM 0 HB ILE A 13 0.841 -7.336 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.224 -5.418 -2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.028 -6.486 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.478 -5.586 -0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.100 -7.218 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.501 -6.202 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.128 -4.307 -0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.721 -5.583 0.571 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.550 -4.499 -0.041 1.00 0.00 H new ATOM 204 N GLN A 14 0.180 -10.275 -0.686 1.00 0.00 N ATOM 205 CA GLN A 14 -0.711 -11.237 -0.031 1.00 0.00 C ATOM 206 C GLN A 14 -0.528 -11.208 1.488 1.00 0.00 C ATOM 207 O GLN A 14 0.595 -11.302 1.985 1.00 0.00 O ATOM 208 CB GLN A 14 -0.443 -12.654 -0.552 1.00 0.00 C ATOM 209 CG GLN A 14 -0.214 -12.729 -2.056 1.00 0.00 C ATOM 210 CD GLN A 14 -0.310 -14.146 -2.595 1.00 0.00 C ATOM 211 OE1 GLN A 14 -0.950 -15.010 -1.996 1.00 0.00 O ATOM 212 NE2 GLN A 14 0.326 -14.391 -3.735 1.00 0.00 N ATOM 0 H GLN A 14 1.172 -10.490 -0.585 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.737 -10.954 -0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.431 -13.058 -0.041 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.288 -13.292 -0.291 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.948 -12.102 -2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.770 -12.322 -2.290 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.845 -13.646 -4.200 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.295 -15.324 -4.146 1.00 0.00 H new ATOM 221 N LYS A 15 -1.636 -11.083 2.218 1.00 0.00 N ATOM 222 CA LYS A 15 -1.601 -11.045 3.680 1.00 0.00 C ATOM 223 C LYS A 15 -1.296 -12.426 4.261 1.00 0.00 C ATOM 224 O LYS A 15 -1.952 -13.413 3.919 1.00 0.00 O ATOM 225 CB LYS A 15 -2.932 -10.528 4.235 1.00 0.00 C ATOM 226 CG LYS A 15 -2.852 -10.048 5.676 1.00 0.00 C ATOM 227 CD LYS A 15 -3.543 -11.013 6.631 1.00 0.00 C ATOM 228 CE LYS A 15 -4.312 -10.275 7.718 1.00 0.00 C ATOM 229 NZ LYS A 15 -4.345 -11.038 8.998 1.00 0.00 N ATOM 0 H LYS A 15 -2.572 -11.006 1.819 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.803 -10.364 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.282 -9.708 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.676 -11.322 4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.807 -9.936 5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.312 -9.063 5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.226 -11.652 6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.800 -11.666 7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.853 -9.301 7.889 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.332 -10.092 7.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.878 -10.499 9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.806 -11.957 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.373 -11.191 9.336 1.00 0.00 H new ATOM 243 N ASP A 16 -0.299 -12.484 5.141 1.00 0.00 N ATOM 244 CA ASP A 16 0.105 -13.736 5.778 1.00 0.00 C ATOM 245 C ASP A 16 0.104 -13.593 7.301 1.00 0.00 C ATOM 246 O ASP A 16 -0.326 -12.568 7.835 1.00 0.00 O ATOM 247 CB ASP A 16 1.498 -14.143 5.287 1.00 0.00 C ATOM 248 CG ASP A 16 1.580 -15.611 4.913 1.00 0.00 C ATOM 249 OD1 ASP A 16 1.272 -16.463 5.774 1.00 0.00 O ATOM 250 OD2 ASP A 16 1.955 -15.908 3.759 1.00 0.00 O ATOM 0 H ASP A 16 0.247 -11.673 5.431 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.611 -14.511 5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.766 -13.536 4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.230 -13.929 6.065 1.00 0.00 H new ATOM 255 N ASP A 17 0.591 -14.623 7.997 1.00 0.00 N ATOM 256 CA ASP A 17 0.648 -14.603 9.460 1.00 0.00 C ATOM 257 C ASP A 17 1.511 -13.444 9.961 1.00 0.00 C ATOM 258 O ASP A 17 1.207 -12.834 10.987 1.00 0.00 O ATOM 259 CB ASP A 17 1.201 -15.927 9.993 1.00 0.00 C ATOM 260 CG ASP A 17 0.601 -16.306 11.334 1.00 0.00 C ATOM 261 OD1 ASP A 17 1.117 -15.833 12.369 1.00 0.00 O ATOM 262 OD2 ASP A 17 -0.380 -17.077 11.349 1.00 0.00 O ATOM 0 H ASP A 17 0.950 -15.478 7.573 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.368 -14.465 9.830 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.000 -16.719 9.271 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.284 -15.852 10.091 1.00 0.00 H new ATOM 267 N ASN A 18 2.584 -13.147 9.228 1.00 0.00 N ATOM 268 CA ASN A 18 3.490 -12.060 9.594 1.00 0.00 C ATOM 269 C ASN A 18 2.893 -10.688 9.255 1.00 0.00 C ATOM 270 O ASN A 18 3.393 -9.661 9.720 1.00 0.00 O ATOM 271 CB ASN A 18 4.832 -12.230 8.872 1.00 0.00 C ATOM 272 CG ASN A 18 6.019 -11.907 9.760 1.00 0.00 C ATOM 273 OD1 ASN A 18 6.951 -12.702 9.880 1.00 0.00 O ATOM 274 ND2 ASN A 18 5.995 -10.736 10.391 1.00 0.00 N ATOM 0 H ASN A 18 2.847 -13.644 8.377 1.00 0.00 H new ATOM 0 HA ASN A 18 3.643 -12.105 10.672 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.920 -13.256 8.514 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.853 -11.583 7.995 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.768 -10.469 11.001 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.204 -10.105 10.265 1.00 0.00 H new ATOM 281 N GLY A 19 1.828 -10.671 8.448 1.00 0.00 N ATOM 282 CA GLY A 19 1.199 -9.417 8.072 1.00 0.00 C ATOM 283 C GLY A 19 1.794 -8.817 6.809 1.00 0.00 C ATOM 284 O GLY A 19 2.719 -9.381 6.222 1.00 0.00 O ATOM 0 H GLY A 19 1.393 -11.504 8.051 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.132 -9.581 7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.301 -8.705 8.891 1.00 0.00 H new ATOM 288 N PHE A 20 1.259 -7.669 6.392 1.00 0.00 N ATOM 289 CA PHE A 20 1.738 -6.984 5.190 1.00 0.00 C ATOM 290 C PHE A 20 3.187 -6.531 5.356 1.00 0.00 C ATOM 291 O PHE A 20 4.046 -6.861 4.535 1.00 0.00 O ATOM 292 CB PHE A 20 0.848 -5.777 4.870 1.00 0.00 C ATOM 293 CG PHE A 20 -0.515 -6.154 4.359 1.00 0.00 C ATOM 294 CD1 PHE A 20 -1.567 -6.361 5.238 1.00 0.00 C ATOM 295 CD2 PHE A 20 -0.744 -6.298 3.001 1.00 0.00 C ATOM 296 CE1 PHE A 20 -2.821 -6.706 4.770 1.00 0.00 C ATOM 297 CE2 PHE A 20 -1.996 -6.644 2.527 1.00 0.00 C ATOM 298 CZ PHE A 20 -3.036 -6.845 3.411 1.00 0.00 C ATOM 0 H PHE A 20 0.493 -7.193 6.869 1.00 0.00 H new ATOM 0 HA PHE A 20 1.691 -7.691 4.362 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.735 -5.171 5.769 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.347 -5.155 4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.405 -6.251 6.300 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.065 -6.138 2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.632 -6.867 5.465 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.160 -6.757 1.465 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.016 -7.110 3.042 1.00 0.00 H new ATOM 308 N GLY A 21 3.451 -5.776 6.423 1.00 0.00 N ATOM 309 CA GLY A 21 4.795 -5.289 6.684 1.00 0.00 C ATOM 310 C GLY A 21 5.251 -4.253 5.675 1.00 0.00 C ATOM 311 O GLY A 21 6.279 -4.429 5.020 1.00 0.00 O ATOM 0 H GLY A 21 2.754 -5.493 7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.832 -4.857 7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.489 -6.129 6.674 1.00 0.00 H new ATOM 315 N LEU A 22 4.488 -3.171 5.550 1.00 0.00 N ATOM 316 CA LEU A 22 4.823 -2.096 4.618 1.00 0.00 C ATOM 317 C LEU A 22 4.312 -0.750 5.126 1.00 0.00 C ATOM 318 O LEU A 22 3.176 -0.644 5.592 1.00 0.00 O ATOM 319 CB LEU A 22 4.248 -2.382 3.226 1.00 0.00 C ATOM 320 CG LEU A 22 2.792 -2.857 3.201 1.00 0.00 C ATOM 321 CD1 LEU A 22 1.837 -1.672 3.172 1.00 0.00 C ATOM 322 CD2 LEU A 22 2.552 -3.768 2.005 1.00 0.00 C ATOM 0 H LEU A 22 3.632 -3.014 6.083 1.00 0.00 H new ATOM 0 HA LEU A 22 5.910 -2.049 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.327 -1.476 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.867 -3.138 2.744 1.00 0.00 H new ATOM 0 HG LEU A 22 2.601 -3.424 4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.809 -2.034 3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.991 -1.059 4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.026 -1.074 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.513 -4.097 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.764 -3.224 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.207 -4.636 2.072 1.00 0.00 H new ATOM 334 N THR A 23 5.151 0.276 5.023 1.00 0.00 N ATOM 335 CA THR A 23 4.780 1.616 5.460 1.00 0.00 C ATOM 336 C THR A 23 4.589 2.530 4.249 1.00 0.00 C ATOM 337 O THR A 23 5.493 2.677 3.424 1.00 0.00 O ATOM 338 CB THR A 23 5.843 2.183 6.410 1.00 0.00 C ATOM 339 OG1 THR A 23 7.048 2.460 5.718 1.00 0.00 O ATOM 340 CG2 THR A 23 6.179 1.249 7.554 1.00 0.00 C ATOM 0 H THR A 23 6.094 0.204 4.640 1.00 0.00 H new ATOM 0 HA THR A 23 3.836 1.561 6.002 1.00 0.00 H new ATOM 0 HB THR A 23 5.405 3.095 6.816 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.682 2.895 6.326 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.937 1.709 8.189 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.282 1.056 8.142 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.561 0.309 7.156 1.00 0.00 H new ATOM 348 N VAL A 24 3.403 3.128 4.138 1.00 0.00 N ATOM 349 CA VAL A 24 3.088 4.012 3.017 1.00 0.00 C ATOM 350 C VAL A 24 2.783 5.431 3.491 1.00 0.00 C ATOM 351 O VAL A 24 2.246 5.631 4.582 1.00 0.00 O ATOM 352 CB VAL A 24 1.885 3.487 2.202 1.00 0.00 C ATOM 353 CG1 VAL A 24 2.223 2.162 1.532 1.00 0.00 C ATOM 354 CG2 VAL A 24 0.653 3.343 3.086 1.00 0.00 C ATOM 0 H VAL A 24 2.645 3.016 4.811 1.00 0.00 H new ATOM 0 HA VAL A 24 3.972 4.030 2.380 1.00 0.00 H new ATOM 0 HB VAL A 24 1.661 4.216 1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.361 1.811 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.070 2.300 0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.480 1.425 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.181 2.972 2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.864 2.640 3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.393 4.313 3.509 1.00 0.00 H new ATOM 364 N SER A 25 3.129 6.411 2.661 1.00 0.00 N ATOM 365 CA SER A 25 2.897 7.815 2.982 1.00 0.00 C ATOM 366 C SER A 25 2.349 8.561 1.764 1.00 0.00 C ATOM 367 O SER A 25 2.447 8.075 0.638 1.00 0.00 O ATOM 368 CB SER A 25 4.197 8.464 3.467 1.00 0.00 C ATOM 369 OG SER A 25 3.983 9.809 3.865 1.00 0.00 O ATOM 0 H SER A 25 3.574 6.257 1.756 1.00 0.00 H new ATOM 0 HA SER A 25 2.156 7.873 3.780 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.600 7.894 4.304 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.941 8.432 2.671 1.00 0.00 H new ATOM 0 HG SER A 25 4.426 10.412 3.232 1.00 0.00 H new ATOM 375 N GLY A 26 1.764 9.736 1.992 1.00 0.00 N ATOM 376 CA GLY A 26 1.206 10.516 0.899 1.00 0.00 C ATOM 377 C GLY A 26 -0.247 10.174 0.625 1.00 0.00 C ATOM 378 O GLY A 26 -0.899 9.532 1.450 1.00 0.00 O ATOM 0 H GLY A 26 1.667 10.161 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.288 11.577 1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.793 10.344 -0.003 1.00 0.00 H new ATOM 382 N ASP A 27 -0.762 10.598 -0.531 1.00 0.00 N ATOM 383 CA ASP A 27 -2.152 10.314 -0.884 1.00 0.00 C ATOM 384 C ASP A 27 -2.310 10.022 -2.376 1.00 0.00 C ATOM 385 O ASP A 27 -2.307 8.858 -2.770 1.00 0.00 O ATOM 386 CB ASP A 27 -3.079 11.460 -0.449 1.00 0.00 C ATOM 387 CG ASP A 27 -2.425 12.825 -0.558 1.00 0.00 C ATOM 388 OD1 ASP A 27 -2.514 13.441 -1.641 1.00 0.00 O ATOM 389 OD2 ASP A 27 -1.826 13.277 0.440 1.00 0.00 O ATOM 0 H ASP A 27 -0.245 11.132 -1.229 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.445 9.415 -0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.980 11.445 -1.063 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.393 11.295 0.582 1.00 0.00 H new ATOM 394 N ASN A 28 -2.439 11.061 -3.210 1.00 0.00 N ATOM 395 CA ASN A 28 -2.580 10.844 -4.649 1.00 0.00 C ATOM 396 C ASN A 28 -1.458 9.924 -5.122 1.00 0.00 C ATOM 397 O ASN A 28 -1.711 8.803 -5.568 1.00 0.00 O ATOM 398 CB ASN A 28 -2.561 12.173 -5.415 1.00 0.00 C ATOM 399 CG ASN A 28 -3.900 12.492 -6.052 1.00 0.00 C ATOM 400 OD1 ASN A 28 -4.060 12.395 -7.269 1.00 0.00 O ATOM 401 ND2 ASN A 28 -4.874 12.875 -5.232 1.00 0.00 N ATOM 0 H ASN A 28 -2.448 12.039 -2.919 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.543 10.374 -4.849 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.285 12.978 -4.734 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.794 12.133 -6.189 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.796 13.101 -5.606 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.700 12.942 -4.229 1.00 0.00 H new ATOM 408 N PRO A 29 -0.195 10.365 -4.983 1.00 0.00 N ATOM 409 CA PRO A 29 0.965 9.577 -5.342 1.00 0.00 C ATOM 410 C PRO A 29 1.533 8.872 -4.110 1.00 0.00 C ATOM 411 O PRO A 29 2.617 9.217 -3.633 1.00 0.00 O ATOM 412 CB PRO A 29 1.921 10.655 -5.841 1.00 0.00 C ATOM 413 CG PRO A 29 1.624 11.849 -4.981 1.00 0.00 C ATOM 414 CD PRO A 29 0.225 11.664 -4.427 1.00 0.00 C ATOM 0 HA PRO A 29 0.768 8.788 -6.068 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.960 10.342 -5.740 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.756 10.875 -6.896 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.350 11.931 -4.173 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.689 12.768 -5.563 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.223 11.654 -3.337 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.440 12.469 -4.740 1.00 0.00 H new ATOM 422 N VAL A 30 0.784 7.903 -3.577 1.00 0.00 N ATOM 423 CA VAL A 30 1.218 7.185 -2.380 1.00 0.00 C ATOM 424 C VAL A 30 2.640 6.655 -2.561 1.00 0.00 C ATOM 425 O VAL A 30 2.962 6.079 -3.600 1.00 0.00 O ATOM 426 CB VAL A 30 0.284 6.004 -2.034 1.00 0.00 C ATOM 427 CG1 VAL A 30 0.711 5.356 -0.724 1.00 0.00 C ATOM 428 CG2 VAL A 30 -1.165 6.458 -1.953 1.00 0.00 C ATOM 0 H VAL A 30 -0.116 7.601 -3.952 1.00 0.00 H new ATOM 0 HA VAL A 30 1.185 7.900 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 30 0.363 5.266 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.043 4.526 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.732 4.985 -0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.664 6.092 0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.800 5.607 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.265 7.220 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.470 6.874 -2.913 1.00 0.00 H new ATOM 438 N PHE A 31 3.493 6.849 -1.560 1.00 0.00 N ATOM 439 CA PHE A 31 4.870 6.377 -1.644 1.00 0.00 C ATOM 440 C PHE A 31 5.241 5.518 -0.437 1.00 0.00 C ATOM 441 O PHE A 31 5.117 5.948 0.710 1.00 0.00 O ATOM 442 CB PHE A 31 5.850 7.549 -1.804 1.00 0.00 C ATOM 443 CG PHE A 31 5.790 8.582 -0.708 1.00 0.00 C ATOM 444 CD1 PHE A 31 4.757 9.505 -0.656 1.00 0.00 C ATOM 445 CD2 PHE A 31 6.778 8.635 0.263 1.00 0.00 C ATOM 446 CE1 PHE A 31 4.711 10.461 0.343 1.00 0.00 C ATOM 447 CE2 PHE A 31 6.739 9.590 1.262 1.00 0.00 C ATOM 448 CZ PHE A 31 5.703 10.502 1.303 1.00 0.00 C ATOM 0 H PHE A 31 3.258 7.325 -0.689 1.00 0.00 H new ATOM 0 HA PHE A 31 4.946 5.751 -2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.864 7.151 -1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.654 8.040 -2.757 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.979 9.477 -1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.588 7.921 0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.901 11.174 0.372 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.518 9.623 2.009 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.669 11.246 2.085 1.00 0.00 H new ATOM 458 N VAL A 32 5.695 4.297 -0.716 1.00 0.00 N ATOM 459 CA VAL A 32 6.092 3.358 0.328 1.00 0.00 C ATOM 460 C VAL A 32 7.461 3.728 0.890 1.00 0.00 C ATOM 461 O VAL A 32 8.455 3.761 0.162 1.00 0.00 O ATOM 462 CB VAL A 32 6.137 1.905 -0.198 1.00 0.00 C ATOM 463 CG1 VAL A 32 6.383 0.927 0.940 1.00 0.00 C ATOM 464 CG2 VAL A 32 4.850 1.555 -0.935 1.00 0.00 C ATOM 0 H VAL A 32 5.797 3.935 -1.664 1.00 0.00 H new ATOM 0 HA VAL A 32 5.342 3.420 1.116 1.00 0.00 H new ATOM 0 HB VAL A 32 6.965 1.827 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.411 -0.089 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.335 1.157 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.580 1.011 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.905 0.528 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.003 1.656 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.720 2.230 -1.781 1.00 0.00 H new ATOM 474 N GLN A 33 7.502 4.011 2.189 1.00 0.00 N ATOM 475 CA GLN A 33 8.742 4.386 2.856 1.00 0.00 C ATOM 476 C GLN A 33 9.617 3.164 3.136 1.00 0.00 C ATOM 477 O GLN A 33 10.741 3.074 2.643 1.00 0.00 O ATOM 478 CB GLN A 33 8.433 5.124 4.162 1.00 0.00 C ATOM 479 CG GLN A 33 9.619 5.889 4.730 1.00 0.00 C ATOM 480 CD GLN A 33 9.588 7.368 4.387 1.00 0.00 C ATOM 481 OE1 GLN A 33 8.550 7.911 4.005 1.00 0.00 O ATOM 482 NE2 GLN A 33 10.731 8.032 4.525 1.00 0.00 N ATOM 0 H GLN A 33 6.687 3.987 2.801 1.00 0.00 H new ATOM 0 HA GLN A 33 9.295 5.048 2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.612 5.820 3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.089 4.403 4.903 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.634 5.773 5.814 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.542 5.452 4.350 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.568 7.545 4.844 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.771 9.029 4.312 1.00 0.00 H new ATOM 491 N SER A 34 9.098 2.230 3.934 1.00 0.00 N ATOM 492 CA SER A 34 9.837 1.017 4.280 1.00 0.00 C ATOM 493 C SER A 34 8.955 -0.223 4.146 1.00 0.00 C ATOM 494 O SER A 34 7.739 -0.158 4.344 1.00 0.00 O ATOM 495 CB SER A 34 10.381 1.116 5.709 1.00 0.00 C ATOM 496 OG SER A 34 11.120 -0.043 6.059 1.00 0.00 O ATOM 0 H SER A 34 8.170 2.291 4.352 1.00 0.00 H new ATOM 0 HA SER A 34 10.670 0.922 3.584 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.017 1.997 5.798 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.554 1.248 6.407 1.00 0.00 H new ATOM 0 HG SER A 34 11.457 0.048 6.975 1.00 0.00 H new ATOM 502 N VAL A 35 9.577 -1.353 3.813 1.00 0.00 N ATOM 503 CA VAL A 35 8.858 -2.614 3.656 1.00 0.00 C ATOM 504 C VAL A 35 9.633 -3.771 4.282 1.00 0.00 C ATOM 505 O VAL A 35 10.864 -3.799 4.240 1.00 0.00 O ATOM 506 CB VAL A 35 8.578 -2.932 2.170 1.00 0.00 C ATOM 507 CG1 VAL A 35 7.520 -1.993 1.614 1.00 0.00 C ATOM 508 CG2 VAL A 35 9.858 -2.851 1.346 1.00 0.00 C ATOM 0 H VAL A 35 10.581 -1.420 3.646 1.00 0.00 H new ATOM 0 HA VAL A 35 7.905 -2.498 4.173 1.00 0.00 H new ATOM 0 HB VAL A 35 8.200 -3.952 2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.336 -2.232 0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.596 -2.109 2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.868 -0.963 1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.635 -3.079 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.273 -1.846 1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.582 -3.570 1.728 1.00 0.00 H new ATOM 518 N LYS A 36 8.903 -4.722 4.860 1.00 0.00 N ATOM 519 CA LYS A 36 9.514 -5.885 5.497 1.00 0.00 C ATOM 520 C LYS A 36 10.305 -6.707 4.481 1.00 0.00 C ATOM 521 O LYS A 36 9.723 -7.412 3.657 1.00 0.00 O ATOM 522 CB LYS A 36 8.439 -6.760 6.155 1.00 0.00 C ATOM 523 CG LYS A 36 8.645 -6.958 7.649 1.00 0.00 C ATOM 524 CD LYS A 36 7.679 -7.991 8.215 1.00 0.00 C ATOM 525 CE LYS A 36 7.124 -7.561 9.566 1.00 0.00 C ATOM 526 NZ LYS A 36 6.072 -6.511 9.433 1.00 0.00 N ATOM 0 H LYS A 36 7.884 -4.709 4.900 1.00 0.00 H new ATOM 0 HA LYS A 36 10.201 -5.529 6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.462 -6.307 5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.426 -7.734 5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.670 -7.276 7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.507 -6.008 8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.857 -8.143 7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.190 -8.948 8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.707 -8.428 10.079 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.936 -7.183 10.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.722 -6.248 10.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.475 -5.673 8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.284 -6.879 8.862 1.00 0.00 H new ATOM 540 N GLU A 37 11.634 -6.609 4.550 1.00 0.00 N ATOM 541 CA GLU A 37 12.512 -7.345 3.637 1.00 0.00 C ATOM 542 C GLU A 37 12.185 -8.840 3.630 1.00 0.00 C ATOM 543 O GLU A 37 12.381 -9.519 2.621 1.00 0.00 O ATOM 544 CB GLU A 37 13.976 -7.130 4.020 1.00 0.00 C ATOM 545 CG GLU A 37 14.651 -6.012 3.240 1.00 0.00 C ATOM 546 CD GLU A 37 14.109 -4.637 3.591 1.00 0.00 C ATOM 547 OE1 GLU A 37 14.044 -4.314 4.797 1.00 0.00 O ATOM 548 OE2 GLU A 37 13.749 -3.887 2.661 1.00 0.00 O ATOM 0 H GLU A 37 12.126 -6.027 5.228 1.00 0.00 H new ATOM 0 HA GLU A 37 12.344 -6.959 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.035 -6.906 5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.525 -8.058 3.858 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.723 -6.035 3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.517 -6.188 2.173 1.00 0.00 H new ATOM 555 N ASP A 38 11.683 -9.347 4.757 1.00 0.00 N ATOM 556 CA ASP A 38 11.323 -10.756 4.868 1.00 0.00 C ATOM 557 C ASP A 38 9.821 -10.908 5.119 1.00 0.00 C ATOM 558 O ASP A 38 9.401 -11.640 6.018 1.00 0.00 O ATOM 559 CB ASP A 38 12.123 -11.421 5.994 1.00 0.00 C ATOM 560 CG ASP A 38 13.563 -11.697 5.601 1.00 0.00 C ATOM 561 OD1 ASP A 38 14.246 -10.756 5.141 1.00 0.00 O ATOM 562 OD2 ASP A 38 14.010 -12.853 5.755 1.00 0.00 O ATOM 0 H ASP A 38 11.518 -8.802 5.603 1.00 0.00 H new ATOM 0 HA ASP A 38 11.566 -11.251 3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.107 -10.779 6.875 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.640 -12.357 6.274 1.00 0.00 H new ATOM 567 N GLY A 39 9.015 -10.207 4.316 1.00 0.00 N ATOM 568 CA GLY A 39 7.572 -10.273 4.468 1.00 0.00 C ATOM 569 C GLY A 39 6.836 -10.239 3.139 1.00 0.00 C ATOM 570 O GLY A 39 7.460 -10.191 2.075 1.00 0.00 O ATOM 0 H GLY A 39 9.339 -9.597 3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.309 -11.187 5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.238 -9.438 5.084 1.00 0.00 H new ATOM 574 N ALA A 40 5.504 -10.262 3.208 1.00 0.00 N ATOM 575 CA ALA A 40 4.655 -10.237 2.016 1.00 0.00 C ATOM 576 C ALA A 40 5.056 -9.123 1.046 1.00 0.00 C ATOM 577 O ALA A 40 5.133 -9.346 -0.163 1.00 0.00 O ATOM 578 CB ALA A 40 3.198 -10.076 2.417 1.00 0.00 C ATOM 0 H ALA A 40 4.986 -10.298 4.086 1.00 0.00 H new ATOM 0 HA ALA A 40 4.791 -11.187 1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.574 -10.058 1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.901 -10.912 3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.073 -9.142 2.965 1.00 0.00 H new ATOM 584 N ALA A 41 5.302 -7.928 1.580 1.00 0.00 N ATOM 585 CA ALA A 41 5.686 -6.782 0.758 1.00 0.00 C ATOM 586 C ALA A 41 6.922 -7.085 -0.086 1.00 0.00 C ATOM 587 O ALA A 41 6.860 -7.071 -1.315 1.00 0.00 O ATOM 588 CB ALA A 41 5.935 -5.562 1.634 1.00 0.00 C ATOM 0 H ALA A 41 5.242 -7.728 2.578 1.00 0.00 H new ATOM 0 HA ALA A 41 4.861 -6.572 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.220 -4.717 1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.026 -5.317 2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.738 -5.778 2.339 1.00 0.00 H new ATOM 594 N MET A 42 8.044 -7.355 0.581 1.00 0.00 N ATOM 595 CA MET A 42 9.295 -7.652 -0.114 1.00 0.00 C ATOM 596 C MET A 42 9.186 -8.918 -0.964 1.00 0.00 C ATOM 597 O MET A 42 9.608 -8.924 -2.121 1.00 0.00 O ATOM 598 CB MET A 42 10.447 -7.787 0.881 1.00 0.00 C ATOM 599 CG MET A 42 11.810 -7.921 0.219 1.00 0.00 C ATOM 600 SD MET A 42 12.167 -6.569 -0.919 1.00 0.00 S ATOM 601 CE MET A 42 12.922 -7.459 -2.278 1.00 0.00 C ATOM 0 H MET A 42 8.112 -7.374 1.599 1.00 0.00 H new ATOM 0 HA MET A 42 9.498 -6.816 -0.783 1.00 0.00 H new ATOM 0 HB2 MET A 42 10.454 -6.916 1.536 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.271 -8.658 1.512 1.00 0.00 H new ATOM 0 HG2 MET A 42 12.581 -7.956 0.989 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.856 -8.867 -0.321 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.605 -6.798 -2.811 1.00 0.00 H new ATOM 0 HE2 MET A 42 13.475 -8.315 -1.890 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.147 -7.807 -2.961 1.00 0.00 H new ATOM 611 N ARG A 43 8.628 -9.990 -0.393 1.00 0.00 N ATOM 612 CA ARG A 43 8.483 -11.248 -1.128 1.00 0.00 C ATOM 613 C ARG A 43 7.585 -11.074 -2.358 1.00 0.00 C ATOM 614 O ARG A 43 7.732 -11.797 -3.342 1.00 0.00 O ATOM 615 CB ARG A 43 7.947 -12.368 -0.222 1.00 0.00 C ATOM 616 CG ARG A 43 6.463 -12.264 0.100 1.00 0.00 C ATOM 617 CD ARG A 43 5.693 -13.486 -0.386 1.00 0.00 C ATOM 618 NE ARG A 43 4.324 -13.516 0.136 1.00 0.00 N ATOM 619 CZ ARG A 43 3.603 -14.632 0.298 1.00 0.00 C ATOM 620 NH1 ARG A 43 4.096 -15.817 -0.053 1.00 0.00 N ATOM 621 NH2 ARG A 43 2.378 -14.559 0.807 1.00 0.00 N ATOM 0 H ARG A 43 8.274 -10.012 0.563 1.00 0.00 H new ATOM 0 HA ARG A 43 9.476 -11.538 -1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.135 -13.328 -0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.510 -12.363 0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.331 -12.155 1.177 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.052 -11.367 -0.364 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.666 -13.487 -1.476 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.218 -14.391 -0.079 1.00 0.00 H new ATOM 0 HE ARG A 43 3.892 -12.628 0.393 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.033 -15.882 -0.450 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.537 -16.660 0.075 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.989 -13.654 1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.826 -15.408 0.932 1.00 0.00 H new ATOM 635 N ALA A 44 6.662 -10.109 -2.302 1.00 0.00 N ATOM 636 CA ALA A 44 5.759 -9.852 -3.425 1.00 0.00 C ATOM 637 C ALA A 44 6.421 -8.973 -4.493 1.00 0.00 C ATOM 638 O ALA A 44 5.926 -8.880 -5.619 1.00 0.00 O ATOM 639 CB ALA A 44 4.471 -9.205 -2.937 1.00 0.00 C ATOM 0 H ALA A 44 6.522 -9.498 -1.497 1.00 0.00 H new ATOM 0 HA ALA A 44 5.523 -10.813 -3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.812 -9.021 -3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.975 -9.870 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.702 -8.260 -2.446 1.00 0.00 H new ATOM 645 N GLY A 45 7.538 -8.333 -4.140 1.00 0.00 N ATOM 646 CA GLY A 45 8.242 -7.475 -5.082 1.00 0.00 C ATOM 647 C GLY A 45 8.243 -6.009 -4.669 1.00 0.00 C ATOM 648 O GLY A 45 8.586 -5.140 -5.472 1.00 0.00 O ATOM 0 H GLY A 45 7.967 -8.394 -3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.272 -7.820 -5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.780 -7.569 -6.065 1.00 0.00 H new ATOM 652 N VAL A 46 7.865 -5.731 -3.419 1.00 0.00 N ATOM 653 CA VAL A 46 7.831 -4.361 -2.915 1.00 0.00 C ATOM 654 C VAL A 46 9.125 -4.021 -2.180 1.00 0.00 C ATOM 655 O VAL A 46 9.422 -4.597 -1.133 1.00 0.00 O ATOM 656 CB VAL A 46 6.639 -4.130 -1.960 1.00 0.00 C ATOM 657 CG1 VAL A 46 6.490 -2.650 -1.643 1.00 0.00 C ATOM 658 CG2 VAL A 46 5.351 -4.683 -2.552 1.00 0.00 C ATOM 0 H VAL A 46 7.579 -6.437 -2.740 1.00 0.00 H new ATOM 0 HA VAL A 46 7.717 -3.711 -3.782 1.00 0.00 H new ATOM 0 HB VAL A 46 6.840 -4.665 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.646 -2.505 -0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.401 -2.286 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.317 -2.096 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.528 -4.507 -1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.142 -4.184 -3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.459 -5.754 -2.723 1.00 0.00 H new ATOM 668 N GLN A 47 9.889 -3.083 -2.736 1.00 0.00 N ATOM 669 CA GLN A 47 11.150 -2.662 -2.134 1.00 0.00 C ATOM 670 C GLN A 47 11.013 -1.296 -1.463 1.00 0.00 C ATOM 671 O GLN A 47 10.013 -0.599 -1.646 1.00 0.00 O ATOM 672 CB GLN A 47 12.256 -2.614 -3.196 1.00 0.00 C ATOM 673 CG GLN A 47 13.342 -3.660 -2.993 1.00 0.00 C ATOM 674 CD GLN A 47 14.647 -3.288 -3.672 1.00 0.00 C ATOM 675 OE1 GLN A 47 15.514 -2.655 -3.071 1.00 0.00 O ATOM 676 NE2 GLN A 47 14.793 -3.682 -4.933 1.00 0.00 N ATOM 0 H GLN A 47 9.655 -2.600 -3.604 1.00 0.00 H new ATOM 0 HA GLN A 47 11.417 -3.392 -1.370 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.809 -2.753 -4.180 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.711 -1.624 -3.190 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.518 -3.793 -1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 47 12.995 -4.618 -3.381 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.048 -4.205 -5.393 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.650 -3.461 -5.440 1.00 0.00 H new ATOM 685 N THR A 48 12.029 -0.919 -0.686 1.00 0.00 N ATOM 686 CA THR A 48 12.035 0.364 0.016 1.00 0.00 C ATOM 687 C THR A 48 12.151 1.525 -0.972 1.00 0.00 C ATOM 688 O THR A 48 13.111 1.602 -1.743 1.00 0.00 O ATOM 689 CB THR A 48 13.196 0.414 1.017 1.00 0.00 C ATOM 690 OG1 THR A 48 13.217 -0.749 1.830 1.00 0.00 O ATOM 691 CG2 THR A 48 13.146 1.615 1.937 1.00 0.00 C ATOM 0 H THR A 48 12.861 -1.487 -0.527 1.00 0.00 H new ATOM 0 HA THR A 48 11.092 0.461 0.555 1.00 0.00 H new ATOM 0 HB THR A 48 14.095 0.482 0.405 1.00 0.00 H new ATOM 0 HG1 THR A 48 13.967 -0.695 2.459 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.996 1.587 2.618 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.186 2.529 1.345 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.220 1.595 2.511 1.00 0.00 H new ATOM 699 N GLY A 49 11.168 2.425 -0.943 1.00 0.00 N ATOM 700 CA GLY A 49 11.176 3.571 -1.838 1.00 0.00 C ATOM 701 C GLY A 49 10.345 3.346 -3.090 1.00 0.00 C ATOM 702 O GLY A 49 10.855 3.452 -4.207 1.00 0.00 O ATOM 0 H GLY A 49 10.366 2.380 -0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.796 4.444 -1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.203 3.795 -2.125 1.00 0.00 H new ATOM 706 N ASP A 50 9.061 3.039 -2.902 1.00 0.00 N ATOM 707 CA ASP A 50 8.149 2.802 -4.021 1.00 0.00 C ATOM 708 C ASP A 50 7.094 3.903 -4.103 1.00 0.00 C ATOM 709 O ASP A 50 6.847 4.608 -3.124 1.00 0.00 O ATOM 710 CB ASP A 50 7.469 1.437 -3.872 1.00 0.00 C ATOM 711 CG ASP A 50 7.983 0.415 -4.869 1.00 0.00 C ATOM 712 OD1 ASP A 50 8.031 0.731 -6.077 1.00 0.00 O ATOM 713 OD2 ASP A 50 8.336 -0.704 -4.441 1.00 0.00 O ATOM 0 H ASP A 50 8.628 2.949 -1.983 1.00 0.00 H new ATOM 0 HA ASP A 50 8.732 2.811 -4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.629 1.064 -2.860 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.393 1.555 -4.001 1.00 0.00 H new ATOM 718 N ARG A 51 6.470 4.041 -5.272 1.00 0.00 N ATOM 719 CA ARG A 51 5.435 5.053 -5.474 1.00 0.00 C ATOM 720 C ARG A 51 4.118 4.401 -5.893 1.00 0.00 C ATOM 721 O ARG A 51 3.776 4.377 -7.078 1.00 0.00 O ATOM 722 CB ARG A 51 5.882 6.074 -6.529 1.00 0.00 C ATOM 723 CG ARG A 51 6.584 7.290 -5.946 1.00 0.00 C ATOM 724 CD ARG A 51 7.187 8.163 -7.037 1.00 0.00 C ATOM 725 NE ARG A 51 6.882 9.580 -6.840 1.00 0.00 N ATOM 726 CZ ARG A 51 7.509 10.367 -5.960 1.00 0.00 C ATOM 727 NH1 ARG A 51 8.473 9.878 -5.182 1.00 0.00 N ATOM 728 NH2 ARG A 51 7.169 11.648 -5.856 1.00 0.00 N ATOM 0 H ARG A 51 6.663 3.466 -6.092 1.00 0.00 H new ATOM 0 HA ARG A 51 5.277 5.574 -4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.552 5.583 -7.235 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.010 6.405 -7.093 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.874 7.875 -5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.369 6.965 -5.263 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.268 8.025 -7.055 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.808 7.843 -8.008 1.00 0.00 H new ATOM 0 HE ARG A 51 6.144 9.994 -7.410 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.738 8.896 -5.255 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.946 10.486 -4.513 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.430 12.029 -6.447 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.647 12.250 -5.185 1.00 0.00 H new ATOM 742 N ILE A 52 3.383 3.868 -4.916 1.00 0.00 N ATOM 743 CA ILE A 52 2.106 3.211 -5.191 1.00 0.00 C ATOM 744 C ILE A 52 1.051 4.224 -5.650 1.00 0.00 C ATOM 745 O ILE A 52 0.752 5.202 -4.954 1.00 0.00 O ATOM 746 CB ILE A 52 1.599 2.394 -3.971 1.00 0.00 C ATOM 747 CG1 ILE A 52 0.213 1.788 -4.250 1.00 0.00 C ATOM 748 CG2 ILE A 52 1.590 3.235 -2.701 1.00 0.00 C ATOM 749 CD1 ILE A 52 -0.948 2.740 -4.035 1.00 0.00 C ATOM 0 H ILE A 52 3.649 3.878 -3.931 1.00 0.00 H new ATOM 0 HA ILE A 52 2.277 2.506 -6.005 1.00 0.00 H new ATOM 0 HB ILE A 52 2.297 1.572 -3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.188 1.432 -5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.076 0.918 -3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.230 2.632 -1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.601 3.582 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.933 4.094 -2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.884 2.227 -4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.954 3.078 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.841 3.600 -4.696 1.00 0.00 H new ATOM 761 N ILE A 53 0.508 3.981 -6.842 1.00 0.00 N ATOM 762 CA ILE A 53 -0.498 4.860 -7.431 1.00 0.00 C ATOM 763 C ILE A 53 -1.907 4.274 -7.300 1.00 0.00 C ATOM 764 O ILE A 53 -2.870 5.014 -7.091 1.00 0.00 O ATOM 765 CB ILE A 53 -0.196 5.126 -8.924 1.00 0.00 C ATOM 766 CG1 ILE A 53 1.226 5.672 -9.095 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.213 6.093 -9.516 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.752 5.561 -10.511 1.00 0.00 C ATOM 0 H ILE A 53 0.751 3.177 -7.421 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.457 5.800 -6.880 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.271 4.180 -9.461 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.243 6.719 -8.791 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.896 5.134 -8.424 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.982 6.266 -10.567 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.213 5.667 -9.430 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.173 7.039 -8.975 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.763 5.967 -10.557 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.767 4.514 -10.812 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.105 6.123 -11.185 1.00 0.00 H new ATOM 780 N LYS A 54 -2.030 2.949 -7.434 1.00 0.00 N ATOM 781 CA LYS A 54 -3.339 2.295 -7.334 1.00 0.00 C ATOM 782 C LYS A 54 -3.268 1.021 -6.492 1.00 0.00 C ATOM 783 O LYS A 54 -2.196 0.441 -6.318 1.00 0.00 O ATOM 784 CB LYS A 54 -3.872 1.955 -8.730 1.00 0.00 C ATOM 785 CG LYS A 54 -3.878 3.130 -9.697 1.00 0.00 C ATOM 786 CD LYS A 54 -3.579 2.680 -11.118 1.00 0.00 C ATOM 787 CE LYS A 54 -3.656 3.835 -12.105 1.00 0.00 C ATOM 788 NZ LYS A 54 -4.927 3.820 -12.885 1.00 0.00 N ATOM 0 H LYS A 54 -1.250 2.315 -7.610 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.017 2.993 -6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.266 1.154 -9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.888 1.571 -8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.850 3.623 -9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.137 3.865 -9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.585 2.235 -11.157 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.287 1.905 -11.410 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.573 4.779 -11.566 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.810 3.783 -12.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.939 4.623 -13.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.995 2.931 -13.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.735 3.895 -12.234 1.00 0.00 H new ATOM 802 N VAL A 55 -4.422 0.586 -5.978 1.00 0.00 N ATOM 803 CA VAL A 55 -4.495 -0.626 -5.165 1.00 0.00 C ATOM 804 C VAL A 55 -5.655 -1.517 -5.613 1.00 0.00 C ATOM 805 O VAL A 55 -6.824 -1.143 -5.489 1.00 0.00 O ATOM 806 CB VAL A 55 -4.639 -0.305 -3.660 1.00 0.00 C ATOM 807 CG1 VAL A 55 -3.409 0.432 -3.154 1.00 0.00 C ATOM 808 CG2 VAL A 55 -5.903 0.500 -3.387 1.00 0.00 C ATOM 0 H VAL A 55 -5.317 1.057 -6.112 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.555 -1.159 -5.311 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.724 -1.248 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.527 0.650 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.526 -0.190 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.291 1.365 -3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.977 0.711 -2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.863 1.438 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.775 -0.072 -3.705 1.00 0.00 H new ATOM 818 N ASN A 56 -5.316 -2.691 -6.148 1.00 0.00 N ATOM 819 CA ASN A 56 -6.309 -3.648 -6.637 1.00 0.00 C ATOM 820 C ASN A 56 -7.194 -3.019 -7.716 1.00 0.00 C ATOM 821 O ASN A 56 -8.380 -3.337 -7.825 1.00 0.00 O ATOM 822 CB ASN A 56 -7.161 -4.181 -5.477 1.00 0.00 C ATOM 823 CG ASN A 56 -7.190 -5.698 -5.435 1.00 0.00 C ATOM 824 OD1 ASN A 56 -6.252 -6.362 -5.886 1.00 0.00 O ATOM 825 ND2 ASN A 56 -8.261 -6.259 -4.885 1.00 0.00 N ATOM 0 H ASN A 56 -4.351 -3.004 -6.254 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.778 -4.487 -7.087 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.767 -3.801 -4.535 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.179 -3.803 -5.572 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.330 -7.275 -4.824 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.015 -5.674 -4.524 1.00 0.00 H new ATOM 832 N GLY A 57 -6.606 -2.122 -8.512 1.00 0.00 N ATOM 833 CA GLY A 57 -7.351 -1.458 -9.569 1.00 0.00 C ATOM 834 C GLY A 57 -7.987 -0.157 -9.105 1.00 0.00 C ATOM 835 O GLY A 57 -8.125 0.784 -9.889 1.00 0.00 O ATOM 0 H GLY A 57 -5.627 -1.845 -8.441 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.684 -1.254 -10.406 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.128 -2.128 -9.937 1.00 0.00 H new ATOM 839 N THR A 58 -8.373 -0.105 -7.829 1.00 0.00 N ATOM 840 CA THR A 58 -8.996 1.086 -7.259 1.00 0.00 C ATOM 841 C THR A 58 -7.950 2.161 -6.966 1.00 0.00 C ATOM 842 O THR A 58 -7.086 1.985 -6.105 1.00 0.00 O ATOM 843 CB THR A 58 -9.760 0.724 -5.980 1.00 0.00 C ATOM 844 OG1 THR A 58 -10.669 -0.337 -6.222 1.00 0.00 O ATOM 845 CG2 THR A 58 -10.551 1.876 -5.399 1.00 0.00 C ATOM 0 H THR A 58 -8.264 -0.877 -7.171 1.00 0.00 H new ATOM 0 HA THR A 58 -9.700 1.486 -7.989 1.00 0.00 H new ATOM 0 HB THR A 58 -8.991 0.436 -5.263 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.146 -0.555 -5.394 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.065 1.546 -4.496 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.874 2.694 -5.153 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.284 2.219 -6.129 1.00 0.00 H new ATOM 853 N LEU A 59 -8.038 3.275 -7.693 1.00 0.00 N ATOM 854 CA LEU A 59 -7.106 4.389 -7.524 1.00 0.00 C ATOM 855 C LEU A 59 -7.115 4.896 -6.081 1.00 0.00 C ATOM 856 O LEU A 59 -8.178 5.045 -5.475 1.00 0.00 O ATOM 857 CB LEU A 59 -7.456 5.534 -8.490 1.00 0.00 C ATOM 858 CG LEU A 59 -8.824 6.199 -8.271 1.00 0.00 C ATOM 859 CD1 LEU A 59 -8.824 7.616 -8.824 1.00 0.00 C ATOM 860 CD2 LEU A 59 -9.936 5.381 -8.918 1.00 0.00 C ATOM 0 H LEU A 59 -8.749 3.430 -8.408 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.104 4.028 -7.754 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.684 6.300 -8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.419 5.149 -9.509 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.009 6.242 -7.198 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.801 8.071 -8.660 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.060 8.205 -8.316 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.611 7.589 -9.893 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -10.894 5.872 -8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.753 5.301 -9.990 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.957 4.384 -8.478 1.00 0.00 H new ATOM 872 N VAL A 60 -5.927 5.161 -5.535 1.00 0.00 N ATOM 873 CA VAL A 60 -5.811 5.650 -4.160 1.00 0.00 C ATOM 874 C VAL A 60 -5.654 7.171 -4.116 1.00 0.00 C ATOM 875 O VAL A 60 -4.917 7.706 -3.285 1.00 0.00 O ATOM 876 CB VAL A 60 -4.629 4.995 -3.409 1.00 0.00 C ATOM 877 CG1 VAL A 60 -4.952 3.548 -3.073 1.00 0.00 C ATOM 878 CG2 VAL A 60 -3.342 5.091 -4.217 1.00 0.00 C ATOM 0 H VAL A 60 -5.037 5.046 -6.020 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.739 5.371 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.475 5.540 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.110 3.101 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.839 3.511 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.139 2.994 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.529 4.622 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.473 4.581 -5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.102 6.139 -4.396 1.00 0.00 H new ATOM 888 N THR A 61 -6.361 7.865 -5.006 1.00 0.00 N ATOM 889 CA THR A 61 -6.306 9.322 -5.053 1.00 0.00 C ATOM 890 C THR A 61 -7.603 9.941 -4.516 1.00 0.00 C ATOM 891 O THR A 61 -7.900 11.107 -4.783 1.00 0.00 O ATOM 892 CB THR A 61 -6.038 9.801 -6.488 1.00 0.00 C ATOM 893 OG1 THR A 61 -7.202 9.701 -7.295 1.00 0.00 O ATOM 894 CG2 THR A 61 -4.935 9.030 -7.185 1.00 0.00 C ATOM 0 H THR A 61 -6.976 7.442 -5.701 1.00 0.00 H new ATOM 0 HA THR A 61 -5.486 9.650 -4.414 1.00 0.00 H new ATOM 0 HB THR A 61 -5.727 10.840 -6.378 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.974 9.907 -8.225 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.799 9.421 -8.193 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.006 9.138 -6.626 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.206 7.975 -7.238 1.00 0.00 H new ATOM 902 N HIS A 62 -8.371 9.149 -3.757 1.00 0.00 N ATOM 903 CA HIS A 62 -9.633 9.615 -3.185 1.00 0.00 C ATOM 904 C HIS A 62 -9.837 9.074 -1.766 1.00 0.00 C ATOM 905 O HIS A 62 -10.174 9.828 -0.853 1.00 0.00 O ATOM 906 CB HIS A 62 -10.809 9.194 -4.074 1.00 0.00 C ATOM 907 CG HIS A 62 -10.980 10.041 -5.299 1.00 0.00 C ATOM 908 ND1 HIS A 62 -10.783 11.407 -5.309 1.00 0.00 N ATOM 909 CD2 HIS A 62 -11.342 9.708 -6.561 1.00 0.00 C ATOM 910 CE1 HIS A 62 -11.017 11.876 -6.522 1.00 0.00 C ATOM 911 NE2 HIS A 62 -11.356 10.865 -7.300 1.00 0.00 N ATOM 0 H HIS A 62 -8.137 8.183 -3.527 1.00 0.00 H new ATOM 0 HA HIS A 62 -9.591 10.703 -3.133 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -10.668 8.157 -4.378 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -11.727 9.232 -3.487 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.576 8.716 -6.919 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -10.943 12.910 -6.825 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.591 10.932 -8.290 1.00 0.00 H new ATOM 920 N SER A 63 -9.635 7.762 -1.590 1.00 0.00 N ATOM 921 CA SER A 63 -9.803 7.115 -0.285 1.00 0.00 C ATOM 922 C SER A 63 -8.949 7.792 0.792 1.00 0.00 C ATOM 923 O SER A 63 -7.827 8.227 0.526 1.00 0.00 O ATOM 924 CB SER A 63 -9.441 5.630 -0.377 1.00 0.00 C ATOM 925 OG SER A 63 -10.018 5.032 -1.527 1.00 0.00 O ATOM 0 H SER A 63 -9.354 7.127 -2.338 1.00 0.00 H new ATOM 0 HA SER A 63 -10.850 7.215 0.000 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.357 5.519 -0.411 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.787 5.112 0.518 1.00 0.00 H new ATOM 0 HG SER A 63 -9.770 4.085 -1.562 1.00 0.00 H new ATOM 931 N ASN A 64 -9.493 7.874 2.008 1.00 0.00 N ATOM 932 CA ASN A 64 -8.790 8.496 3.133 1.00 0.00 C ATOM 933 C ASN A 64 -7.611 7.639 3.594 1.00 0.00 C ATOM 934 O ASN A 64 -7.393 6.541 3.087 1.00 0.00 O ATOM 935 CB ASN A 64 -9.759 8.728 4.300 1.00 0.00 C ATOM 936 CG ASN A 64 -10.133 10.191 4.462 1.00 0.00 C ATOM 937 OD1 ASN A 64 -10.193 10.939 3.486 1.00 0.00 O ATOM 938 ND2 ASN A 64 -10.388 10.609 5.698 1.00 0.00 N ATOM 0 H ASN A 64 -10.420 7.517 2.239 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.399 9.455 2.794 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.663 8.141 4.140 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.304 8.368 5.223 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.645 11.582 5.865 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.327 9.957 6.480 1.00 0.00 H new ATOM 945 N HIS A 65 -6.849 8.154 4.561 1.00 0.00 N ATOM 946 CA HIS A 65 -5.688 7.440 5.094 1.00 0.00 C ATOM 947 C HIS A 65 -6.106 6.138 5.782 1.00 0.00 C ATOM 948 O HIS A 65 -5.621 5.061 5.432 1.00 0.00 O ATOM 949 CB HIS A 65 -4.914 8.338 6.069 1.00 0.00 C ATOM 950 CG HIS A 65 -3.999 7.586 6.987 1.00 0.00 C ATOM 951 ND1 HIS A 65 -4.365 7.193 8.257 1.00 0.00 N ATOM 952 CD2 HIS A 65 -2.734 7.138 6.808 1.00 0.00 C ATOM 953 CE1 HIS A 65 -3.367 6.539 8.819 1.00 0.00 C ATOM 954 NE2 HIS A 65 -2.366 6.492 7.962 1.00 0.00 N ATOM 0 H HIS A 65 -7.016 9.064 4.991 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.036 7.182 4.259 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -4.329 9.059 5.498 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.626 8.908 6.667 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.128 7.265 5.923 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.369 6.114 9.812 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.463 6.047 8.130 1.00 0.00 H new ATOM 963 N LEU A 66 -7.007 6.239 6.761 1.00 0.00 N ATOM 964 CA LEU A 66 -7.481 5.059 7.484 1.00 0.00 C ATOM 965 C LEU A 66 -8.420 4.222 6.612 1.00 0.00 C ATOM 966 O LEU A 66 -8.554 3.015 6.817 1.00 0.00 O ATOM 967 CB LEU A 66 -8.193 5.463 8.780 1.00 0.00 C ATOM 968 CG LEU A 66 -7.292 6.093 9.848 1.00 0.00 C ATOM 969 CD1 LEU A 66 -7.471 7.605 9.877 1.00 0.00 C ATOM 970 CD2 LEU A 66 -7.584 5.491 11.217 1.00 0.00 C ATOM 0 H LEU A 66 -7.420 7.119 7.069 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.610 4.454 7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.987 6.168 8.535 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.670 4.580 9.204 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.255 5.877 9.593 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.823 8.034 10.642 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.209 8.021 8.904 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.510 7.844 10.106 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.935 5.950 11.962 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.626 5.674 11.480 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.401 4.417 11.189 1.00 0.00 H new ATOM 982 N GLU A 67 -9.065 4.868 5.639 1.00 0.00 N ATOM 983 CA GLU A 67 -9.988 4.180 4.737 1.00 0.00 C ATOM 984 C GLU A 67 -9.245 3.237 3.792 1.00 0.00 C ATOM 985 O GLU A 67 -9.619 2.072 3.648 1.00 0.00 O ATOM 986 CB GLU A 67 -10.792 5.196 3.923 1.00 0.00 C ATOM 987 CG GLU A 67 -12.181 5.461 4.484 1.00 0.00 C ATOM 988 CD GLU A 67 -12.989 6.430 3.636 1.00 0.00 C ATOM 989 OE1 GLU A 67 -12.800 6.449 2.399 1.00 0.00 O ATOM 990 OE2 GLU A 67 -13.812 7.170 4.211 1.00 0.00 O ATOM 0 H GLU A 67 -8.965 5.866 5.456 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.667 3.587 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.240 6.135 3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.885 4.836 2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.721 4.518 4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.089 5.860 5.494 1.00 0.00 H new ATOM 997 N VAL A 68 -8.197 3.749 3.143 1.00 0.00 N ATOM 998 CA VAL A 68 -7.411 2.954 2.203 1.00 0.00 C ATOM 999 C VAL A 68 -6.735 1.770 2.898 1.00 0.00 C ATOM 1000 O VAL A 68 -6.773 0.646 2.392 1.00 0.00 O ATOM 1001 CB VAL A 68 -6.349 3.812 1.471 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -5.307 4.360 2.438 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -5.685 3.012 0.360 1.00 0.00 C ATOM 0 H VAL A 68 -7.875 4.711 3.253 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.110 2.569 1.461 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.863 4.663 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.579 4.957 1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.797 4.984 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.799 3.532 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.943 3.633 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.197 2.135 0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.439 2.695 -0.360 1.00 0.00 H new ATOM 1013 N VAL A 69 -6.129 2.019 4.059 1.00 0.00 N ATOM 1014 CA VAL A 69 -5.459 0.959 4.809 1.00 0.00 C ATOM 1015 C VAL A 69 -6.463 -0.095 5.286 1.00 0.00 C ATOM 1016 O VAL A 69 -6.195 -1.297 5.203 1.00 0.00 O ATOM 1017 CB VAL A 69 -4.668 1.519 6.017 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -5.587 2.218 7.007 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -3.876 0.412 6.701 1.00 0.00 C ATOM 0 H VAL A 69 -6.089 2.939 4.497 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.749 0.489 4.128 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.965 2.262 5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.999 2.599 7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.093 3.047 6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.328 1.510 7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.327 0.826 7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.560 -0.359 7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.173 -0.024 5.991 1.00 0.00 H new ATOM 1029 N LYS A 70 -7.623 0.358 5.769 1.00 0.00 N ATOM 1030 CA LYS A 70 -8.667 -0.552 6.240 1.00 0.00 C ATOM 1031 C LYS A 70 -9.159 -1.445 5.102 1.00 0.00 C ATOM 1032 O LYS A 70 -9.402 -2.636 5.300 1.00 0.00 O ATOM 1033 CB LYS A 70 -9.842 0.231 6.838 1.00 0.00 C ATOM 1034 CG LYS A 70 -10.794 -0.623 7.665 1.00 0.00 C ATOM 1035 CD LYS A 70 -10.610 -0.392 9.161 1.00 0.00 C ATOM 1036 CE LYS A 70 -11.804 0.328 9.772 1.00 0.00 C ATOM 1037 NZ LYS A 70 -11.698 1.809 9.639 1.00 0.00 N ATOM 0 H LYS A 70 -7.861 1.347 5.844 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.236 -1.182 7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.451 1.032 7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.401 0.702 6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.823 -0.394 7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.629 -1.676 7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.467 -1.349 9.662 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.707 0.194 9.330 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.719 -0.014 9.288 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.884 0.065 10.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.532 2.257 10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.839 2.140 10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.648 2.064 8.632 1.00 0.00 H new ATOM 1051 N LEU A 71 -9.298 -0.862 3.909 1.00 0.00 N ATOM 1052 CA LEU A 71 -9.752 -1.605 2.737 1.00 0.00 C ATOM 1053 C LEU A 71 -8.735 -2.675 2.347 1.00 0.00 C ATOM 1054 O LEU A 71 -9.097 -3.831 2.123 1.00 0.00 O ATOM 1055 CB LEU A 71 -9.992 -0.653 1.558 1.00 0.00 C ATOM 1056 CG LEU A 71 -11.208 -0.983 0.685 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -12.489 -0.481 1.339 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -11.045 -0.383 -0.705 1.00 0.00 C ATOM 0 H LEU A 71 -9.102 0.123 3.732 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.692 -2.096 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.109 0.358 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.103 -0.651 0.927 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.277 -2.066 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.341 -0.725 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.612 -0.958 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.431 0.600 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.917 -0.627 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.950 0.700 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.151 -0.792 -1.175 1.00 0.00 H new ATOM 1070 N ILE A 72 -7.460 -2.288 2.279 1.00 0.00 N ATOM 1071 CA ILE A 72 -6.398 -3.228 1.926 1.00 0.00 C ATOM 1072 C ILE A 72 -6.240 -4.296 3.007 1.00 0.00 C ATOM 1073 O ILE A 72 -6.063 -5.475 2.699 1.00 0.00 O ATOM 1074 CB ILE A 72 -5.043 -2.515 1.709 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -5.166 -1.444 0.622 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -3.959 -3.523 1.341 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -5.483 -2.000 -0.752 1.00 0.00 C ATOM 0 H ILE A 72 -7.140 -1.337 2.462 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.692 -3.698 0.987 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.760 -2.029 2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.946 -0.738 0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.233 -0.883 0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.013 -3.002 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.850 -4.250 2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.238 -4.038 0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.555 -1.181 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.691 -2.683 -1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.432 -2.536 -0.718 1.00 0.00 H new ATOM 1089 N LYS A 73 -6.315 -3.878 4.272 1.00 0.00 N ATOM 1090 CA LYS A 73 -6.189 -4.809 5.391 1.00 0.00 C ATOM 1091 C LYS A 73 -7.373 -5.777 5.439 1.00 0.00 C ATOM 1092 O LYS A 73 -7.231 -6.916 5.889 1.00 0.00 O ATOM 1093 CB LYS A 73 -6.078 -4.051 6.717 1.00 0.00 C ATOM 1094 CG LYS A 73 -4.646 -3.841 7.187 1.00 0.00 C ATOM 1095 CD LYS A 73 -4.572 -3.635 8.694 1.00 0.00 C ATOM 1096 CE LYS A 73 -4.427 -2.164 9.048 1.00 0.00 C ATOM 1097 NZ LYS A 73 -4.665 -1.914 10.497 1.00 0.00 N ATOM 0 H LYS A 73 -6.462 -2.906 4.545 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.278 -5.387 5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.562 -3.080 6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.626 -4.598 7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.041 -4.704 6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.220 -2.975 6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.471 -4.036 9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.727 -4.193 9.098 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.427 -1.823 8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.132 -1.578 8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.557 -0.899 10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.628 -2.215 10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.976 -2.453 11.060 1.00 0.00 H new ATOM 1111 N SER A 74 -8.538 -5.320 4.976 1.00 0.00 N ATOM 1112 CA SER A 74 -9.743 -6.151 4.966 1.00 0.00 C ATOM 1113 C SER A 74 -9.589 -7.347 4.025 1.00 0.00 C ATOM 1114 O SER A 74 -10.172 -8.408 4.260 1.00 0.00 O ATOM 1115 CB SER A 74 -10.961 -5.323 4.554 1.00 0.00 C ATOM 1116 OG SER A 74 -11.975 -5.387 5.540 1.00 0.00 O ATOM 0 H SER A 74 -8.672 -4.380 4.603 1.00 0.00 H new ATOM 0 HA SER A 74 -9.890 -6.528 5.978 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.664 -4.286 4.399 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.349 -5.689 3.604 1.00 0.00 H new ATOM 0 HG SER A 74 -12.743 -4.849 5.255 1.00 0.00 H new ATOM 1122 N GLY A 75 -8.803 -7.173 2.961 1.00 0.00 N ATOM 1123 CA GLY A 75 -8.593 -8.250 2.008 1.00 0.00 C ATOM 1124 C GLY A 75 -7.296 -8.996 2.254 1.00 0.00 C ATOM 1125 O GLY A 75 -6.373 -8.464 2.874 1.00 0.00 O ATOM 0 H GLY A 75 -8.310 -6.307 2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.427 -8.949 2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.588 -7.841 0.998 1.00 0.00 H new ATOM 1129 N SER A 76 -7.224 -10.233 1.767 1.00 0.00 N ATOM 1130 CA SER A 76 -6.027 -11.053 1.934 1.00 0.00 C ATOM 1131 C SER A 76 -4.911 -10.575 1.007 1.00 0.00 C ATOM 1132 O SER A 76 -3.953 -9.946 1.456 1.00 0.00 O ATOM 1133 CB SER A 76 -6.346 -12.527 1.672 1.00 0.00 C ATOM 1134 OG SER A 76 -6.659 -13.198 2.881 1.00 0.00 O ATOM 0 H SER A 76 -7.979 -10.689 1.255 1.00 0.00 H new ATOM 0 HA SER A 76 -5.684 -10.951 2.964 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.185 -12.605 0.980 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.493 -13.009 1.194 1.00 0.00 H new ATOM 0 HG SER A 76 -6.861 -14.138 2.691 1.00 0.00 H new ATOM 1140 N TYR A 77 -5.042 -10.865 -0.287 1.00 0.00 N ATOM 1141 CA TYR A 77 -4.040 -10.448 -1.264 1.00 0.00 C ATOM 1142 C TYR A 77 -4.652 -9.511 -2.300 1.00 0.00 C ATOM 1143 O TYR A 77 -5.834 -9.628 -2.635 1.00 0.00 O ATOM 1144 CB TYR A 77 -3.407 -11.663 -1.951 1.00 0.00 C ATOM 1145 CG TYR A 77 -4.398 -12.567 -2.640 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -5.152 -13.478 -1.913 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -4.579 -12.510 -4.014 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -6.060 -14.306 -2.536 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.486 -13.335 -4.645 1.00 0.00 C ATOM 1150 CZ TYR A 77 -6.225 -14.232 -3.903 1.00 0.00 C ATOM 1151 OH TYR A 77 -7.130 -15.057 -4.529 1.00 0.00 O ATOM 0 H TYR A 77 -5.827 -11.384 -0.680 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.256 -9.909 -0.731 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.679 -11.314 -2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.859 -12.242 -1.208 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.025 -13.539 -0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.001 -11.809 -4.598 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.640 -15.009 -1.957 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.617 -13.279 -5.716 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.125 -14.877 -5.492 1.00 0.00 H new ATOM 1161 N VAL A 78 -3.846 -8.571 -2.790 1.00 0.00 N ATOM 1162 CA VAL A 78 -4.311 -7.595 -3.775 1.00 0.00 C ATOM 1163 C VAL A 78 -3.180 -7.117 -4.686 1.00 0.00 C ATOM 1164 O VAL A 78 -2.017 -7.052 -4.274 1.00 0.00 O ATOM 1165 CB VAL A 78 -4.946 -6.361 -3.093 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -6.306 -6.706 -2.506 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -4.021 -5.800 -2.020 1.00 0.00 C ATOM 0 H VAL A 78 -2.868 -8.464 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.061 -8.109 -4.376 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.091 -5.593 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.732 -5.822 -2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.969 -7.047 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.192 -7.496 -1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.488 -4.933 -1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.836 -6.563 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.076 -5.503 -2.474 1.00 0.00 H new ATOM 1177 N ALA A 79 -3.540 -6.767 -5.924 1.00 0.00 N ATOM 1178 CA ALA A 79 -2.573 -6.268 -6.900 1.00 0.00 C ATOM 1179 C ALA A 79 -2.611 -4.746 -6.941 1.00 0.00 C ATOM 1180 O ALA A 79 -3.595 -4.156 -7.382 1.00 0.00 O ATOM 1181 CB ALA A 79 -2.868 -6.839 -8.277 1.00 0.00 C ATOM 0 H ALA A 79 -4.497 -6.821 -6.273 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.575 -6.588 -6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.139 -6.458 -8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.806 -7.927 -8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.870 -6.542 -8.587 1.00 0.00 H new ATOM 1187 N LEU A 80 -1.545 -4.115 -6.463 1.00 0.00 N ATOM 1188 CA LEU A 80 -1.473 -2.658 -6.422 1.00 0.00 C ATOM 1189 C LEU A 80 -0.550 -2.100 -7.499 1.00 0.00 C ATOM 1190 O LEU A 80 0.586 -2.551 -7.656 1.00 0.00 O ATOM 1191 CB LEU A 80 -0.992 -2.197 -5.042 1.00 0.00 C ATOM 1192 CG LEU A 80 -1.815 -2.712 -3.855 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -1.546 -4.189 -3.616 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -1.506 -1.910 -2.601 1.00 0.00 C ATOM 0 H LEU A 80 -0.718 -4.589 -6.098 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.476 -2.276 -6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.042 -2.515 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.995 -1.107 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.871 -2.587 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.140 -4.535 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.818 -4.757 -4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.488 -4.336 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.100 -2.291 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.447 -2.002 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.750 -0.861 -2.771 1.00 0.00 H new ATOM 1206 N THR A 81 -1.041 -1.095 -8.221 1.00 0.00 N ATOM 1207 CA THR A 81 -0.259 -0.448 -9.266 1.00 0.00 C ATOM 1208 C THR A 81 0.716 0.542 -8.636 1.00 0.00 C ATOM 1209 O THR A 81 0.306 1.572 -8.087 1.00 0.00 O ATOM 1210 CB THR A 81 -1.169 0.265 -10.264 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.302 -0.532 -10.565 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.480 0.599 -11.571 1.00 0.00 C ATOM 0 H THR A 81 -1.979 -0.712 -8.099 1.00 0.00 H new ATOM 0 HA THR A 81 0.301 -1.210 -9.807 1.00 0.00 H new ATOM 0 HB THR A 81 -1.459 1.197 -9.778 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.874 -0.059 -11.204 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.183 1.104 -12.234 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.370 1.253 -11.377 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.131 -0.319 -12.043 1.00 0.00 H new ATOM 1220 N VAL A 82 2.002 0.201 -8.695 1.00 0.00 N ATOM 1221 CA VAL A 82 3.056 1.026 -8.113 1.00 0.00 C ATOM 1222 C VAL A 82 4.017 1.556 -9.180 1.00 0.00 C ATOM 1223 O VAL A 82 4.066 1.043 -10.298 1.00 0.00 O ATOM 1224 CB VAL A 82 3.847 0.213 -7.058 1.00 0.00 C ATOM 1225 CG1 VAL A 82 4.824 1.093 -6.292 1.00 0.00 C ATOM 1226 CG2 VAL A 82 2.893 -0.484 -6.098 1.00 0.00 C ATOM 0 H VAL A 82 2.340 -0.650 -9.145 1.00 0.00 H new ATOM 0 HA VAL A 82 2.577 1.881 -7.636 1.00 0.00 H new ATOM 0 HB VAL A 82 4.427 -0.542 -7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.361 0.489 -5.561 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.535 1.538 -6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.276 1.883 -5.778 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.465 -1.051 -5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.283 0.261 -5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.247 -1.162 -6.656 1.00 0.00 H new ATOM 1236 N GLN A 83 4.779 2.590 -8.824 1.00 0.00 N ATOM 1237 CA GLN A 83 5.741 3.197 -9.737 1.00 0.00 C ATOM 1238 C GLN A 83 7.108 3.321 -9.065 1.00 0.00 C ATOM 1239 O GLN A 83 7.195 3.529 -7.852 1.00 0.00 O ATOM 1240 CB GLN A 83 5.245 4.574 -10.185 1.00 0.00 C ATOM 1241 CG GLN A 83 6.047 5.173 -11.328 1.00 0.00 C ATOM 1242 CD GLN A 83 5.513 6.523 -11.769 1.00 0.00 C ATOM 1243 OE1 GLN A 83 5.490 7.477 -10.991 1.00 0.00 O ATOM 1244 NE2 GLN A 83 5.081 6.611 -13.022 1.00 0.00 N ATOM 0 H GLN A 83 4.746 3.026 -7.902 1.00 0.00 H new ATOM 0 HA GLN A 83 5.842 2.557 -10.613 1.00 0.00 H new ATOM 0 HB2 GLN A 83 4.202 4.493 -10.489 1.00 0.00 H new ATOM 0 HB3 GLN A 83 5.277 5.256 -9.335 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.087 5.280 -11.020 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.034 4.487 -12.175 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.118 5.795 -13.633 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.712 7.495 -13.373 1.00 0.00 H new ATOM 1253 N GLY A 84 8.172 3.192 -9.858 1.00 0.00 N ATOM 1254 CA GLY A 84 9.517 3.291 -9.317 1.00 0.00 C ATOM 1255 C GLY A 84 10.527 3.795 -10.333 1.00 0.00 C ATOM 1256 O GLY A 84 10.205 4.634 -11.177 1.00 0.00 O ATOM 0 H GLY A 84 8.125 3.021 -10.863 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.509 3.961 -8.457 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.831 2.312 -8.955 1.00 0.00 H new ATOM 1379 N LYS B 93 -0.633 12.210 6.774 1.00 0.00 N ATOM 1380 CA LYS B 93 -1.346 10.989 6.400 1.00 0.00 C ATOM 1381 C LYS B 93 -0.363 9.856 6.084 1.00 0.00 C ATOM 1382 O LYS B 93 -0.237 9.431 4.933 1.00 0.00 O ATOM 1383 CB LYS B 93 -2.257 11.254 5.196 1.00 0.00 C ATOM 1384 CG LYS B 93 -3.600 11.865 5.566 1.00 0.00 C ATOM 1385 CD LYS B 93 -4.170 12.685 4.420 1.00 0.00 C ATOM 1386 CE LYS B 93 -5.672 12.878 4.561 1.00 0.00 C ATOM 1387 NZ LYS B 93 -6.009 13.839 5.650 1.00 0.00 N ATOM 0 HA LYS B 93 -1.960 10.680 7.246 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -1.743 11.921 4.503 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -2.428 10.316 4.668 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -4.300 11.074 5.833 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -3.484 12.498 6.446 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -3.679 13.658 4.389 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -3.954 12.188 3.474 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -6.082 13.240 3.618 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.144 11.917 4.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -7.042 13.943 5.714 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -5.640 13.482 6.555 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -5.580 14.763 5.442 1.00 0.00 H new ATOM 1401 N VAL B 94 0.327 9.370 7.118 1.00 0.00 N ATOM 1402 CA VAL B 94 1.296 8.285 6.962 1.00 0.00 C ATOM 1403 C VAL B 94 0.763 6.993 7.575 1.00 0.00 C ATOM 1404 O VAL B 94 0.183 7.008 8.663 1.00 0.00 O ATOM 1405 CB VAL B 94 2.651 8.634 7.621 1.00 0.00 C ATOM 1406 CG1 VAL B 94 3.713 7.600 7.263 1.00 0.00 C ATOM 1407 CG2 VAL B 94 3.103 10.033 7.219 1.00 0.00 C ATOM 0 H VAL B 94 0.232 9.712 8.074 1.00 0.00 H new ATOM 0 HA VAL B 94 1.451 8.147 5.892 1.00 0.00 H new ATOM 0 HB VAL B 94 2.514 8.617 8.702 1.00 0.00 H new ATOM 0 HG11 VAL B 94 4.657 7.868 7.738 1.00 0.00 H new ATOM 0 HG12 VAL B 94 3.397 6.617 7.613 1.00 0.00 H new ATOM 0 HG13 VAL B 94 3.846 7.575 6.181 1.00 0.00 H new ATOM 0 HG21 VAL B 94 4.058 10.257 7.694 1.00 0.00 H new ATOM 0 HG22 VAL B 94 3.216 10.082 6.136 1.00 0.00 H new ATOM 0 HG23 VAL B 94 2.359 10.762 7.539 1.00 0.00 H new ATOM 1417 N THR B 95 0.958 5.877 6.874 1.00 0.00 N ATOM 1418 CA THR B 95 0.494 4.578 7.352 1.00 0.00 C ATOM 1419 C THR B 95 1.666 3.623 7.576 1.00 0.00 C ATOM 1420 O THR B 95 2.672 3.682 6.868 1.00 0.00 O ATOM 1421 CB THR B 95 -0.499 3.965 6.357 1.00 0.00 C ATOM 1422 OG1 THR B 95 -1.170 4.977 5.622 1.00 0.00 O ATOM 1423 CG2 THR B 95 -1.558 3.107 7.016 1.00 0.00 C ATOM 0 H THR B 95 1.435 5.848 5.973 1.00 0.00 H new ATOM 0 HA THR B 95 -0.009 4.733 8.307 1.00 0.00 H new ATOM 0 HB THR B 95 0.106 3.336 5.704 1.00 0.00 H new ATOM 0 HG1 THR B 95 -1.797 4.563 4.993 1.00 0.00 H new ATOM 0 HG21 THR B 95 -2.226 2.705 6.255 1.00 0.00 H new ATOM 0 HG22 THR B 95 -1.080 2.285 7.550 1.00 0.00 H new ATOM 0 HG23 THR B 95 -2.131 3.712 7.719 1.00 0.00 H new ATOM 1431 N ASP B 96 1.526 2.747 8.570 1.00 0.00 N ATOM 1432 CA ASP B 96 2.566 1.775 8.904 1.00 0.00 C ATOM 1433 C ASP B 96 1.953 0.398 9.167 1.00 0.00 C ATOM 1434 O ASP B 96 1.048 0.259 9.993 1.00 0.00 O ATOM 1435 CB ASP B 96 3.348 2.251 10.133 1.00 0.00 C ATOM 1436 CG ASP B 96 4.584 3.053 9.769 1.00 0.00 C ATOM 1437 OD1 ASP B 96 4.455 4.039 9.016 1.00 0.00 O ATOM 1438 OD2 ASP B 96 5.682 2.697 10.246 1.00 0.00 O ATOM 0 H ASP B 96 0.697 2.691 9.161 1.00 0.00 H new ATOM 0 HA ASP B 96 3.248 1.689 8.058 1.00 0.00 H new ATOM 0 HB2 ASP B 96 2.696 2.860 10.759 1.00 0.00 H new ATOM 0 HB3 ASP B 96 3.643 1.386 10.727 1.00 0.00 H new ATOM 1443 N LEU B 97 2.446 -0.614 8.454 1.00 0.00 N ATOM 1444 CA LEU B 97 1.946 -1.981 8.596 1.00 0.00 C ATOM 1445 C LEU B 97 3.090 -2.993 8.705 1.00 0.00 C ATOM 1446 O LEU B 97 4.257 -2.599 8.493 1.00 0.00 O ATOM 1447 CB LEU B 97 1.055 -2.331 7.401 1.00 0.00 C ATOM 1448 CG LEU B 97 -0.449 -2.204 7.654 1.00 0.00 C ATOM 1449 CD1 LEU B 97 -1.203 -2.108 6.336 1.00 0.00 C ATOM 1450 CD2 LEU B 97 -0.954 -3.378 8.483 1.00 0.00 C ATOM 1451 OXT LEU B 97 2.807 -4.175 8.998 1.00 0.00 O ATOM 0 H LEU B 97 3.195 -0.512 7.769 1.00 0.00 H new ATOM 0 HA LEU B 97 1.366 -2.033 9.518 1.00 0.00 H new ATOM 0 HB2 LEU B 97 1.323 -1.684 6.566 1.00 0.00 H new ATOM 0 HB3 LEU B 97 1.271 -3.354 7.094 1.00 0.00 H new ATOM 0 HG LEU B 97 -0.629 -1.289 8.218 1.00 0.00 H new ATOM 0 HD11 LEU B 97 -2.271 -2.018 6.534 1.00 0.00 H new ATOM 0 HD12 LEU B 97 -0.861 -1.232 5.784 1.00 0.00 H new ATOM 0 HD13 LEU B 97 -1.018 -3.005 5.745 1.00 0.00 H new ATOM 0 HD21 LEU B 97 -2.025 -3.270 8.652 1.00 0.00 H new ATOM 0 HD22 LEU B 97 -0.763 -4.309 7.949 1.00 0.00 H new ATOM 0 HD23 LEU B 97 -0.435 -3.396 9.441 1.00 0.00 H new